----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:53:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.857129194999999 -2.783545030000000 0.000000000000000 b 7.857129194999999 2.783545030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.479309679999999 Atomic positions (fractional): *1 Ti 0.18878259759401 0.81121740240599 0.26570083878486 47.867 2 Ti 0.81121740240599 0.18878259759401 0.76570083878486 47.867 *3 Bi 0.54453765535124 0.11622621560452 0.23938042338298 208.980 4 Bi 0.11622621560452 0.54453765535124 0.73938042338298 208.980 5 Bi 0.88377378439548 0.45546234464876 0.23938042338298 208.980 6 Bi 0.45546234464876 0.88377378439548 0.73938042338298 208.980 *7 O 0.25036332795209 0.55836785726830 0.34250049276487 15.999 8 O 0.55836785726830 0.25036332795209 0.84250049276487 15.999 *9 O 0.26008824734805 0.23566300057878 0.51092344719044 15.999 10 O 0.23566300057878 0.26008824734805 0.01092344719044 15.999 11 O 0.73991175265195 0.76433699942122 0.01092344719044 15.999 12 O 0.76433699942122 0.73991175265195 0.51092344719044 15.999 13 O 0.44163214273170 0.74963667204791 0.34250049276487 15.999 14 O 0.74963667204792 0.44163214273170 0.84250049276487 15.999 *15 O 0.90437856579839 0.09562143420161 0.43994039453855 15.999 16 O 0.09562143420161 0.90437856579839 0.93994039453855 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.714258389999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.567090060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.479309679999999 Atomic positions (fractional): *1 Ti 0.00000000000000 0.81121740240599 0.26570083878486 47.867 > 1 2 Ti 0.00000000000000 0.18878259759401 0.76570083878486 47.867 > 2 3 Ti 0.50000000000000 0.31121740240599 0.26570083878486 47.867 > 1 4 Ti 0.50000000000000 0.68878259759401 0.76570083878486 47.867 > 2 *5 Bi 0.33038193547788 0.78584428012664 0.23938042338298 208.980 > 3 6 Bi 0.33038193547788 0.21415571987336 0.73938042338298 208.980 > 4 7 Bi 0.16961806452212 0.28584428012664 0.23938042338298 208.980 > 5 8 Bi 0.16961806452212 0.71415571987336 0.73938042338298 208.980 > 6 9 Bi 0.83038193547788 0.28584428012664 0.23938042338298 208.980 > 3 10 Bi 0.83038193547788 0.71415571987336 0.73938042338298 208.980 > 4 11 Bi 0.66961806452212 0.78584428012664 0.23938042338298 208.980 > 5 12 Bi 0.66961806452212 0.21415571987336 0.73938042338298 208.980 > 6 *13 O 0.40436559261019 0.15400226465811 0.34250049276487 15.999 > 7 14 O 0.40436559261019 0.84599773534189 0.84250049276487 15.999 > 8 *15 O 0.24787562396341 0.98778737661537 0.51092344719044 15.999 > 9 16 O 0.24787562396341 0.01221262338463 0.01092344719044 15.999 > 10 17 O 0.25212437603659 0.51221262338463 0.01092344719044 15.999 > 11 18 O 0.25212437603659 0.48778737661537 0.51092344719044 15.999 > 12 19 O 0.09563440738981 0.65400226465811 0.34250049276487 15.999 > 13 20 O 0.09563440738981 0.34599773534189 0.84250049276487 15.999 > 14 *21 O 0.00000000000000 0.09562143420161 0.43994039453855 15.999 > 15 22 O 0.00000000000000 0.90437856579839 0.93994039453855 15.999 > 16 23 O 0.90436559261019 0.65400226465811 0.34250049276487 15.999 > 7 24 O 0.90436559261019 0.34599773534189 0.84250049276487 15.999 > 8 25 O 0.74787562396341 0.48778737661537 0.51092344719044 15.999 > 9 26 O 0.74787562396341 0.51221262338463 0.01092344719044 15.999 > 10 27 O 0.75212437603659 0.01221262338463 0.01092344719044 15.999 > 11 28 O 0.75212437603659 0.98778737661537 0.51092344719044 15.999 > 12 29 O 0.59563440738981 0.15400226465811 0.34250049276487 15.999 > 13 30 O 0.59563440738981 0.84599773534189 0.84250049276487 15.999 > 14 31 O 0.50000000000000 0.59562143420161 0.43994039453855 15.999 > 15 32 O 0.50000000000000 0.40437856579838 0.93994039453855 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.714258389999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.134180120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.958619359999998 Atomic positions (fractional): *1 Ti 0.00000000000000 0.40560870120299 0.13285041939243 47.867 > 1 2 Ti 0.00000000000000 0.90560870120299 0.13285041939243 47.867 > 1 3 Ti 0.00000000000000 0.40560870120299 0.63285041939243 47.867 > 1 4 Ti 0.00000000000000 0.90560870120299 0.63285041939243 47.867 > 1 5 Ti 0.00000000000000 0.09439129879701 0.38285041939243 47.867 > 2 6 Ti 0.00000000000000 0.59439129879701 0.38285041939243 47.867 > 2 7 Ti 0.00000000000000 0.09439129879701 0.88285041939243 47.867 > 2 8 Ti 0.00000000000000 0.59439129879701 0.88285041939243 47.867 > 2 9 Ti 0.50000000000000 0.15560870120299 0.13285041939243 47.867 > 1 10 Ti 0.50000000000000 0.65560870120299 0.13285041939243 47.867 > 1 11 Ti 0.50000000000000 0.15560870120299 0.63285041939243 47.867 > 1 12 Ti 0.50000000000000 0.65560870120299 0.63285041939243 47.867 > 1 13 Ti 0.50000000000000 0.34439129879701 0.38285041939243 47.867 > 2 14 Ti 0.50000000000000 0.84439129879701 0.38285041939243 47.867 > 2 15 Ti 0.50000000000000 0.34439129879701 0.88285041939243 47.867 > 2 16 Ti 0.50000000000000 0.84439129879701 0.88285041939243 47.867 > 2 *17 Bi 0.33038193547788 0.39292214006332 0.11969021169149 208.980 > 3 18 Bi 0.33038193547788 0.89292214006332 0.11969021169149 208.980 > 3 19 Bi 0.33038193547788 0.39292214006332 0.61969021169149 208.980 > 3 20 Bi 0.33038193547788 0.89292214006332 0.61969021169149 208.980 > 3 21 Bi 0.33038193547788 0.10707785993668 0.36969021169149 208.980 > 4 22 Bi 0.33038193547788 0.60707785993668 0.36969021169149 208.980 > 4 23 Bi 0.33038193547788 0.10707785993668 0.86969021169149 208.980 > 4 24 Bi 0.33038193547788 0.60707785993668 0.86969021169149 208.980 > 4 25 Bi 0.16961806452212 0.14292214006332 0.11969021169149 208.980 > 5 26 Bi 0.16961806452212 0.64292214006332 0.11969021169149 208.980 > 5 27 Bi 0.16961806452212 0.14292214006332 0.61969021169149 208.980 > 5 28 Bi 0.16961806452212 0.64292214006332 0.61969021169149 208.980 > 5 29 Bi 0.16961806452212 0.35707785993668 0.36969021169149 208.980 > 6 30 Bi 0.16961806452212 0.85707785993668 0.36969021169149 208.980 > 6 31 Bi 0.16961806452212 0.35707785993668 0.86969021169149 208.980 > 6 32 Bi 0.16961806452212 0.85707785993668 0.86969021169149 208.980 > 6 33 Bi 0.83038193547788 0.14292214006332 0.11969021169149 208.980 > 3 34 Bi 0.83038193547788 0.64292214006332 0.11969021169149 208.980 > 3 35 Bi 0.83038193547788 0.14292214006332 0.61969021169149 208.980 > 3 36 Bi 0.83038193547788 0.64292214006332 0.61969021169149 208.980 > 3 37 Bi 0.83038193547788 0.35707785993668 0.36969021169149 208.980 > 4 38 Bi 0.83038193547788 0.85707785993668 0.36969021169149 208.980 > 4 39 Bi 0.83038193547788 0.35707785993668 0.86969021169149 208.980 > 4 40 Bi 0.83038193547788 0.85707785993668 0.86969021169149 208.980 > 4 41 Bi 0.66961806452212 0.39292214006332 0.11969021169149 208.980 > 5 42 Bi 0.66961806452212 0.89292214006332 0.11969021169149 208.980 > 5 43 Bi 0.66961806452212 0.39292214006332 0.61969021169149 208.980 > 5 44 Bi 0.66961806452212 0.89292214006332 0.61969021169149 208.980 > 5 45 Bi 0.66961806452212 0.10707785993668 0.36969021169149 208.980 > 6 46 Bi 0.66961806452212 0.60707785993668 0.36969021169149 208.980 > 6 47 Bi 0.66961806452212 0.10707785993668 0.86969021169149 208.980 > 6 48 Bi 0.66961806452212 0.60707785993668 0.86969021169149 208.980 > 6 *49 O 0.40436559261019 0.07700113232905 0.17125024638244 15.999 > 7 50 O 0.40436559261019 0.57700113232905 0.17125024638244 15.999 > 7 51 O 0.40436559261019 0.07700113232905 0.67125024638244 15.999 > 7 52 O 0.40436559261019 0.57700113232905 0.67125024638244 15.999 > 7 53 O 0.40436559261019 0.42299886767095 0.42125024638244 15.999 > 8 54 O 0.40436559261019 0.92299886767095 0.42125024638244 15.999 > 8 55 O 0.40436559261019 0.42299886767095 0.92125024638244 15.999 > 8 56 O 0.40436559261019 0.92299886767095 0.92125024638244 15.999 > 8 *57 O 0.24787562396341 0.49389368830768 0.25546172359522 15.999 > 9 58 O 0.24787562396341 0.99389368830768 0.25546172359522 15.999 > 9 59 O 0.24787562396341 0.49389368830768 0.75546172359522 15.999 > 9 60 O 0.24787562396341 0.99389368830768 0.75546172359522 15.999 > 9 61 O 0.24787562396341 0.00610631169232 0.00546172359522 15.999 > 10 62 O 0.24787562396341 0.50610631169232 0.00546172359522 15.999 > 10 63 O 0.24787562396341 0.00610631169232 0.50546172359522 15.999 > 10 64 O 0.24787562396341 0.50610631169232 0.50546172359522 15.999 > 10 65 O 0.25212437603659 0.25610631169232 0.00546172359522 15.999 > 11 66 O 0.25212437603659 0.75610631169232 0.00546172359522 15.999 > 11 67 O 0.25212437603659 0.25610631169232 0.50546172359522 15.999 > 11 68 O 0.25212437603659 0.75610631169232 0.50546172359522 15.999 > 11 69 O 0.25212437603659 0.24389368830768 0.25546172359522 15.999 > 12 70 O 0.25212437603659 0.74389368830768 0.25546172359522 15.999 > 12 71 O 0.25212437603659 0.24389368830768 0.75546172359522 15.999 > 12 72 O 0.25212437603659 0.74389368830768 0.75546172359522 15.999 > 12 73 O 0.09563440738981 0.32700113232905 0.17125024638244 15.999 > 13 74 O 0.09563440738981 0.82700113232905 0.17125024638244 15.999 > 13 75 O 0.09563440738981 0.32700113232905 0.67125024638244 15.999 > 13 76 O 0.09563440738981 0.82700113232905 0.67125024638244 15.999 > 13 77 O 0.09563440738981 0.17299886767095 0.42125024638244 15.999 > 14 78 O 0.09563440738981 0.67299886767095 0.42125024638244 15.999 > 14 79 O 0.09563440738981 0.17299886767095 0.92125024638244 15.999 > 14 80 O 0.09563440738981 0.67299886767095 0.92125024638244 15.999 > 14 *81 O 0.00000000000000 0.04781071710081 0.21997019726927 15.999 > 15 82 O 0.00000000000000 0.54781071710081 0.21997019726927 15.999 > 15 83 O 0.00000000000000 0.04781071710081 0.71997019726928 15.999 > 15 84 O 0.00000000000000 0.54781071710081 0.71997019726928 15.999 > 15 85 O 0.00000000000000 0.45218928289919 0.46997019726928 15.999 > 16 86 O 0.00000000000000 0.95218928289919 0.46997019726928 15.999 > 16 87 O 0.00000000000000 0.45218928289919 0.96997019726928 15.999 > 16 88 O 0.00000000000000 0.95218928289919 0.96997019726928 15.999 > 16 89 O 0.90436559261019 0.32700113232905 0.17125024638244 15.999 > 7 90 O 0.90436559261019 0.82700113232905 0.17125024638244 15.999 > 7 91 O 0.90436559261019 0.32700113232905 0.67125024638244 15.999 > 7 92 O 0.90436559261019 0.82700113232905 0.67125024638244 15.999 > 7 93 O 0.90436559261019 0.17299886767095 0.42125024638244 15.999 > 8 94 O 0.90436559261019 0.67299886767095 0.42125024638244 15.999 > 8 95 O 0.90436559261019 0.17299886767095 0.92125024638244 15.999 > 8 96 O 0.90436559261019 0.67299886767095 0.92125024638244 15.999 > 8 97 O 0.74787562396341 0.24389368830768 0.25546172359522 15.999 > 9 98 O 0.74787562396341 0.74389368830768 0.25546172359522 15.999 > 9 99 O 0.74787562396341 0.24389368830768 0.75546172359522 15.999 > 9 100 O 0.74787562396341 0.74389368830768 0.75546172359522 15.999 > 9 101 O 0.74787562396341 0.25610631169232 0.00546172359522 15.999 > 10 102 O 0.74787562396341 0.75610631169232 0.00546172359522 15.999 > 10 103 O 0.74787562396341 0.25610631169232 0.50546172359522 15.999 > 10 104 O 0.74787562396341 0.75610631169232 0.50546172359522 15.999 > 10 105 O 0.75212437603659 0.00610631169232 0.00546172359522 15.999 > 11 106 O 0.75212437603659 0.50610631169232 0.00546172359522 15.999 > 11 107 O 0.75212437603659 0.00610631169232 0.50546172359522 15.999 > 11 108 O 0.75212437603659 0.50610631169232 0.50546172359522 15.999 > 11 109 O 0.75212437603659 0.49389368830768 0.25546172359522 15.999 > 12 110 O 0.75212437603659 0.99389368830768 0.25546172359522 15.999 > 12 111 O 0.75212437603659 0.49389368830768 0.75546172359522 15.999 > 12 112 O 0.75212437603659 0.99389368830768 0.75546172359522 15.999 > 12 113 O 0.59563440738981 0.07700113232905 0.17125024638244 15.999 > 13 114 O 0.59563440738981 0.57700113232905 0.17125024638244 15.999 > 13 115 O 0.59563440738981 0.07700113232905 0.67125024638244 15.999 > 13 116 O 0.59563440738981 0.57700113232905 0.67125024638244 15.999 > 13 117 O 0.59563440738981 0.42299886767095 0.42125024638244 15.999 > 14 118 O 0.59563440738981 0.92299886767095 0.42125024638244 15.999 > 14 119 O 0.59563440738981 0.42299886767095 0.92125024638244 15.999 > 14 120 O 0.59563440738981 0.92299886767095 0.92125024638244 15.999 > 14 121 O 0.50000000000000 0.29781071710081 0.21997019726927 15.999 > 15 122 O 0.50000000000000 0.79781071710081 0.21997019726927 15.999 > 15 123 O 0.50000000000000 0.29781071710081 0.71997019726928 15.999 > 15 124 O 0.50000000000000 0.79781071710081 0.71997019726928 15.999 > 15 125 O 0.50000000000000 0.20218928289919 0.46997019726928 15.999 > 16 126 O 0.50000000000000 0.70218928289919 0.46997019726928 15.999 > 16 127 O 0.50000000000000 0.20218928289919 0.96997019726928 15.999 > 16 128 O 0.50000000000000 0.70218928289919 0.96997019726928 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7885568 0.0000000 0.0000000 0.0000000 5.8198208 0.0000000 0.0000000 0.0000000 5.6726710 -------------------------- Born effective charges -------------------------- 1 Ti 5.1613455 0.0000000 0.0000000 0.0000000 4.1751209 -0.6048039 0.0000000 0.0938780 3.8682381 2 Ti 5.1613455 0.0000000 0.0000000 0.0000000 4.1751209 0.6048039 0.0000000 -0.0938780 3.8682381 3 Bi 4.1734057 0.9817329 -0.2345088 0.5542482 4.7930601 0.2394361 0.0703303 0.2596579 4.7891934 4 Bi 4.1734057 -0.9817329 -0.2345088 -0.5542482 4.7930601 -0.2394361 0.0703303 -0.2596579 4.7891934 5 Bi 4.1734057 -0.9817329 0.2345088 -0.5542482 4.7930601 0.2394361 -0.0703303 0.2596579 4.7891934 6 Bi 4.1734057 0.9817329 0.2345088 0.5542482 4.7930601 -0.2394361 -0.0703303 -0.2596579 4.7891934 7 O -3.7211071 -1.8183144 0.9944695 -1.5545462 -2.4997666 -0.0247531 0.5188854 -0.2771517 -1.9958876 8 O -3.7211071 1.8183144 0.9944695 1.5545462 -2.4997666 0.0247531 0.5188854 0.2771517 -1.9958876 9 O -2.3569521 -0.2103149 0.2596934 -0.4176354 -3.0148369 0.1920121 0.2131895 -0.2121725 -2.9820184 10 O -2.3569521 0.2103149 0.2596934 0.4176354 -3.0148369 -0.1920121 0.2131895 0.2121725 -2.9820184 11 O -2.3569521 -0.2103149 -0.2596934 -0.4176354 -3.0148369 -0.1920121 -0.2131895 0.2121725 -2.9820184 12 O -2.3569521 0.2103149 -0.2596934 0.4176354 -3.0148369 0.1920121 -0.2131895 -0.2121725 -2.9820184 13 O -3.7211071 1.8183144 -0.9944695 1.5545462 -2.4997666 -0.0247531 -0.5188854 -0.2771517 -1.9958876 14 O -3.7211071 -1.8183144 -0.9944695 -1.5545462 -2.4997666 0.0247531 -0.5188854 0.2771517 -1.9958876 15 O -1.3520385 0.0000000 0.0000000 0.0000000 -2.7320342 -1.6505267 0.0000000 -1.4597789 -3.4908131 16 O -1.3520385 0.0000000 0.0000000 0.0000000 -2.7320342 1.6505267 0.0000000 1.4597789 -3.4908131 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2368 Number of blocks in projector: 2368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 240 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2368, 2331), data: False |-- (288, 283), data: True |-- (288, 283), data: True |-- (288, 283), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (544, 534), data: False |-- (544, 534), data: False |-- (544, 10), data: (544, 20) @ (20, 10) |-- (294, 284), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.838 Solver_block: 200 / 480 - Time: 0.774 Solver_block: 300 / 480 - Time: 0.801 Solver_block: 400 / 480 - Time: 0.800 Solver_block: 480 / 480 - Time: 0.655 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.959 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 11568/11568 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2368 Number of blocks in projector: 2368 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 240 eigenvectors found. (2) Block: 544 / 544 (2) 284 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 534 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2368, 2331), data: False |-- (288, 283), data: True |-- (288, 283), data: True |-- (288, 283), data: True |-- (480, 474), data: True |-- (480, 474), data: True |-- (544, 534), data: False |-- (544, 534), data: False |-- (544, 10), data: (544, 20) @ (20, 10) |-- (294, 284), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:54:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:54:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.857129194999999 -2.783545030000000 0.000000000000000 b 7.857129194999999 2.783545030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.479309679999999 Atomic positions (fractional): 1 Ti 0.18878259759401 0.81121740240599 0.26570083878486 47.867 2 Ti 0.81121740240599 0.18878259759401 0.76570083878486 47.867 3 Bi 0.54453765535124 0.11622621560452 0.23938042338298 208.980 4 Bi 0.11622621560452 0.54453765535124 0.73938042338298 208.980 5 Bi 0.88377378439548 0.45546234464876 0.23938042338298 208.980 6 Bi 0.45546234464876 0.88377378439548 0.73938042338298 208.980 7 O 0.25036332795209 0.55836785726830 0.34250049276487 15.999 8 O 0.55836785726830 0.25036332795209 0.84250049276487 15.999 9 O 0.26008824734805 0.23566300057878 0.51092344719044 15.999 10 O 0.23566300057878 0.26008824734805 0.01092344719044 15.999 11 O 0.73991175265195 0.76433699942122 0.01092344719044 15.999 12 O 0.76433699942122 0.73991175265195 0.51092344719044 15.999 13 O 0.44163214273170 0.74963667204791 0.34250049276487 15.999 14 O 0.74963667204792 0.44163214273170 0.84250049276487 15.999 15 O 0.90437856579839 0.09562143420161 0.43994039453855 15.999 16 O 0.09562143420161 0.90437856579839 0.93994039453855 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.714258389999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.134180120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.958619359999998 Atomic positions (fractional): 1 Ti 0.00000000000000 0.40560870120299 0.13285041939243 47.867 > 1 2 Ti 0.00000000000000 0.90560870120299 0.13285041939243 47.867 > 1 3 Ti 0.00000000000000 0.40560870120299 0.63285041939243 47.867 > 1 4 Ti 0.00000000000000 0.90560870120299 0.63285041939243 47.867 > 1 5 Ti 0.00000000000000 0.09439129879701 0.38285041939243 47.867 > 5 6 Ti 0.00000000000000 0.59439129879701 0.38285041939243 47.867 > 5 7 Ti 0.00000000000000 0.09439129879701 0.88285041939243 47.867 > 5 8 Ti 0.00000000000000 0.59439129879701 0.88285041939243 47.867 > 5 9 Ti 0.50000000000000 0.15560870120299 0.13285041939243 47.867 > 1 10 Ti 0.50000000000000 0.65560870120299 0.13285041939243 47.867 > 1 11 Ti 0.50000000000000 0.15560870120299 0.63285041939243 47.867 > 1 12 Ti 0.50000000000000 0.65560870120299 0.63285041939243 47.867 > 1 13 Ti 0.50000000000000 0.34439129879701 0.38285041939243 47.867 > 5 14 Ti 0.50000000000000 0.84439129879701 0.38285041939243 47.867 > 5 15 Ti 0.50000000000000 0.34439129879701 0.88285041939243 47.867 > 5 16 Ti 0.50000000000000 0.84439129879701 0.88285041939243 47.867 > 5 17 Bi 0.33038193547788 0.39292214006332 0.11969021169149 208.980 > 17 18 Bi 0.33038193547788 0.89292214006332 0.11969021169149 208.980 > 17 19 Bi 0.33038193547788 0.39292214006332 0.61969021169149 208.980 > 17 20 Bi 0.33038193547788 0.89292214006332 0.61969021169149 208.980 > 17 21 Bi 0.33038193547788 0.10707785993668 0.36969021169149 208.980 > 21 22 Bi 0.33038193547788 0.60707785993668 0.36969021169149 208.980 > 21 23 Bi 0.33038193547788 0.10707785993668 0.86969021169149 208.980 > 21 24 Bi 0.33038193547788 0.60707785993668 0.86969021169149 208.980 > 21 25 Bi 0.16961806452212 0.14292214006332 0.11969021169149 208.980 > 25 26 Bi 0.16961806452212 0.64292214006332 0.11969021169149 208.980 > 25 27 Bi 0.16961806452212 0.14292214006332 0.61969021169149 208.980 > 25 28 Bi 0.16961806452212 0.64292214006332 0.61969021169149 208.980 > 25 29 Bi 0.16961806452212 0.35707785993668 0.36969021169149 208.980 > 29 30 Bi 0.16961806452212 0.85707785993668 0.36969021169149 208.980 > 29 31 Bi 0.16961806452212 0.35707785993668 0.86969021169149 208.980 > 29 32 Bi 0.16961806452212 0.85707785993668 0.86969021169149 208.980 > 29 33 Bi 0.83038193547788 0.14292214006332 0.11969021169149 208.980 > 17 34 Bi 0.83038193547788 0.64292214006332 0.11969021169149 208.980 > 17 35 Bi 0.83038193547788 0.14292214006332 0.61969021169149 208.980 > 17 36 Bi 0.83038193547788 0.64292214006332 0.61969021169149 208.980 > 17 37 Bi 0.83038193547788 0.35707785993668 0.36969021169149 208.980 > 21 38 Bi 0.83038193547788 0.85707785993668 0.36969021169149 208.980 > 21 39 Bi 0.83038193547788 0.35707785993668 0.86969021169149 208.980 > 21 40 Bi 0.83038193547788 0.85707785993668 0.86969021169149 208.980 > 21 41 Bi 0.66961806452212 0.39292214006332 0.11969021169149 208.980 > 25 42 Bi 0.66961806452212 0.89292214006332 0.11969021169149 208.980 > 25 43 Bi 0.66961806452212 0.39292214006332 0.61969021169149 208.980 > 25 44 Bi 0.66961806452212 0.89292214006332 0.61969021169149 208.980 > 25 45 Bi 0.66961806452212 0.10707785993668 0.36969021169149 208.980 > 29 46 Bi 0.66961806452212 0.60707785993668 0.36969021169149 208.980 > 29 47 Bi 0.66961806452212 0.10707785993668 0.86969021169149 208.980 > 29 48 Bi 0.66961806452212 0.60707785993668 0.86969021169149 208.980 > 29 49 O 0.40436559261019 0.07700113232905 0.17125024638244 15.999 > 49 50 O 0.40436559261019 0.57700113232905 0.17125024638244 15.999 > 49 51 O 0.40436559261019 0.07700113232905 0.67125024638244 15.999 > 49 52 O 0.40436559261019 0.57700113232905 0.67125024638244 15.999 > 49 53 O 0.40436559261019 0.42299886767095 0.42125024638244 15.999 > 53 54 O 0.40436559261019 0.92299886767095 0.42125024638244 15.999 > 53 55 O 0.40436559261019 0.42299886767095 0.92125024638244 15.999 > 53 56 O 0.40436559261019 0.92299886767095 0.92125024638244 15.999 > 53 57 O 0.24787562396341 0.49389368830768 0.25546172359522 15.999 > 57 58 O 0.24787562396341 0.99389368830768 0.25546172359522 15.999 > 57 59 O 0.24787562396341 0.49389368830768 0.75546172359522 15.999 > 57 60 O 0.24787562396341 0.99389368830768 0.75546172359522 15.999 > 57 61 O 0.24787562396341 0.00610631169232 0.00546172359522 15.999 > 61 62 O 0.24787562396341 0.50610631169232 0.00546172359522 15.999 > 61 63 O 0.24787562396341 0.00610631169232 0.50546172359522 15.999 > 61 64 O 0.24787562396341 0.50610631169232 0.50546172359522 15.999 > 61 65 O 0.25212437603659 0.25610631169232 0.00546172359522 15.999 > 65 66 O 0.25212437603659 0.75610631169232 0.00546172359522 15.999 > 65 67 O 0.25212437603659 0.25610631169232 0.50546172359522 15.999 > 65 68 O 0.25212437603659 0.75610631169232 0.50546172359522 15.999 > 65 69 O 0.25212437603659 0.24389368830768 0.25546172359522 15.999 > 69 70 O 0.25212437603659 0.74389368830768 0.25546172359522 15.999 > 69 71 O 0.25212437603659 0.24389368830768 0.75546172359522 15.999 > 69 72 O 0.25212437603659 0.74389368830768 0.75546172359522 15.999 > 69 73 O 0.09563440738981 0.32700113232905 0.17125024638244 15.999 > 73 74 O 0.09563440738981 0.82700113232905 0.17125024638244 15.999 > 73 75 O 0.09563440738981 0.32700113232905 0.67125024638244 15.999 > 73 76 O 0.09563440738981 0.82700113232905 0.67125024638244 15.999 > 73 77 O 0.09563440738981 0.17299886767095 0.42125024638244 15.999 > 77 78 O 0.09563440738981 0.67299886767095 0.42125024638244 15.999 > 77 79 O 0.09563440738981 0.17299886767095 0.92125024638244 15.999 > 77 80 O 0.09563440738981 0.67299886767095 0.92125024638244 15.999 > 77 81 O 0.00000000000000 0.04781071710081 0.21997019726927 15.999 > 81 82 O 0.00000000000000 0.54781071710081 0.21997019726927 15.999 > 81 83 O 0.00000000000000 0.04781071710081 0.71997019726928 15.999 > 81 84 O 0.00000000000000 0.54781071710081 0.71997019726928 15.999 > 81 85 O 0.00000000000000 0.45218928289919 0.46997019726928 15.999 > 85 86 O 0.00000000000000 0.95218928289919 0.46997019726928 15.999 > 85 87 O 0.00000000000000 0.45218928289919 0.96997019726928 15.999 > 85 88 O 0.00000000000000 0.95218928289919 0.96997019726928 15.999 > 85 89 O 0.90436559261019 0.32700113232905 0.17125024638244 15.999 > 49 90 O 0.90436559261019 0.82700113232905 0.17125024638244 15.999 > 49 91 O 0.90436559261019 0.32700113232905 0.67125024638244 15.999 > 49 92 O 0.90436559261019 0.82700113232905 0.67125024638244 15.999 > 49 93 O 0.90436559261019 0.17299886767095 0.42125024638244 15.999 > 53 94 O 0.90436559261019 0.67299886767095 0.42125024638244 15.999 > 53 95 O 0.90436559261019 0.17299886767095 0.92125024638244 15.999 > 53 96 O 0.90436559261019 0.67299886767095 0.92125024638244 15.999 > 53 97 O 0.74787562396341 0.24389368830768 0.25546172359522 15.999 > 57 98 O 0.74787562396341 0.74389368830768 0.25546172359522 15.999 > 57 99 O 0.74787562396341 0.24389368830768 0.75546172359522 15.999 > 57 100 O 0.74787562396341 0.74389368830768 0.75546172359522 15.999 > 57 101 O 0.74787562396341 0.25610631169232 0.00546172359522 15.999 > 61 102 O 0.74787562396341 0.75610631169232 0.00546172359522 15.999 > 61 103 O 0.74787562396341 0.25610631169232 0.50546172359522 15.999 > 61 104 O 0.74787562396341 0.75610631169232 0.50546172359522 15.999 > 61 105 O 0.75212437603659 0.00610631169232 0.00546172359522 15.999 > 65 106 O 0.75212437603659 0.50610631169232 0.00546172359522 15.999 > 65 107 O 0.75212437603659 0.00610631169232 0.50546172359522 15.999 > 65 108 O 0.75212437603659 0.50610631169232 0.50546172359522 15.999 > 65 109 O 0.75212437603659 0.49389368830768 0.25546172359522 15.999 > 69 110 O 0.75212437603659 0.99389368830768 0.25546172359522 15.999 > 69 111 O 0.75212437603659 0.49389368830768 0.75546172359522 15.999 > 69 112 O 0.75212437603659 0.99389368830768 0.75546172359522 15.999 > 69 113 O 0.59563440738981 0.07700113232905 0.17125024638244 15.999 > 73 114 O 0.59563440738981 0.57700113232905 0.17125024638244 15.999 > 73 115 O 0.59563440738981 0.07700113232905 0.67125024638244 15.999 > 73 116 O 0.59563440738981 0.57700113232905 0.67125024638244 15.999 > 73 117 O 0.59563440738981 0.42299886767095 0.42125024638244 15.999 > 77 118 O 0.59563440738981 0.92299886767095 0.42125024638244 15.999 > 77 119 O 0.59563440738981 0.42299886767095 0.92125024638244 15.999 > 77 120 O 0.59563440738981 0.92299886767095 0.92125024638244 15.999 > 77 121 O 0.50000000000000 0.29781071710081 0.21997019726927 15.999 > 81 122 O 0.50000000000000 0.79781071710081 0.21997019726927 15.999 > 81 123 O 0.50000000000000 0.29781071710081 0.71997019726928 15.999 > 81 124 O 0.50000000000000 0.79781071710081 0.71997019726928 15.999 > 81 125 O 0.50000000000000 0.20218928289919 0.46997019726928 15.999 > 85 126 O 0.50000000000000 0.70218928289919 0.46997019726928 15.999 > 85 127 O 0.50000000000000 0.20218928289919 0.96997019726928 15.999 > 85 128 O 0.50000000000000 0.70218928289919 0.96997019726928 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7885568 0.0000000 0.0000000 0.0000000 5.8198208 0.0000000 0.0000000 0.0000000 5.6726710 -------------------------- Born effective charges -------------------------- 1 Ti 5.1613455 0.0000000 0.0000000 0.0000000 4.1751209 -0.6048039 0.0000000 0.0938780 3.8682381 2 Ti 5.1613455 0.0000000 0.0000000 0.0000000 4.1751209 0.6048039 0.0000000 -0.0938780 3.8682381 3 Bi 4.1734057 0.9817329 -0.2345088 0.5542482 4.7930601 0.2394361 0.0703303 0.2596579 4.7891934 4 Bi 4.1734057 -0.9817329 -0.2345088 -0.5542482 4.7930601 -0.2394361 0.0703303 -0.2596579 4.7891934 5 Bi 4.1734057 -0.9817329 0.2345088 -0.5542482 4.7930601 0.2394361 -0.0703303 0.2596579 4.7891934 6 Bi 4.1734057 0.9817329 0.2345088 0.5542482 4.7930601 -0.2394361 -0.0703303 -0.2596579 4.7891934 7 O -3.7211071 -1.8183144 0.9944695 -1.5545462 -2.4997666 -0.0247531 0.5188854 -0.2771517 -1.9958876 8 O -3.7211071 1.8183144 0.9944695 1.5545462 -2.4997666 0.0247531 0.5188854 0.2771517 -1.9958876 9 O -2.3569521 -0.2103149 0.2596934 -0.4176354 -3.0148369 0.1920121 0.2131895 -0.2121725 -2.9820184 10 O -2.3569521 0.2103149 0.2596934 0.4176354 -3.0148369 -0.1920121 0.2131895 0.2121725 -2.9820184 11 O -2.3569521 -0.2103149 -0.2596934 -0.4176354 -3.0148369 -0.1920121 -0.2131895 0.2121725 -2.9820184 12 O -2.3569521 0.2103149 -0.2596934 0.4176354 -3.0148369 0.1920121 -0.2131895 -0.2121725 -2.9820184 13 O -3.7211071 1.8183144 -0.9944695 1.5545462 -2.4997666 -0.0247531 -0.5188854 -0.2771517 -1.9958876 14 O -3.7211071 -1.8183144 -0.9944695 -1.5545462 -2.4997666 0.0247531 -0.5188854 0.2771517 -1.9958876 15 O -1.3520385 0.0000000 0.0000000 0.0000000 -2.7320342 -1.6505267 0.0000000 -1.4597789 -3.4908131 16 O -1.3520385 0.0000000 0.0000000 0.0000000 -2.7320342 1.6505267 0.0000000 1.4597789 -3.4908131 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000016 (yyy) 0.00000016 (yyy) 0.00000016 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (xy) -0.00000003 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:54:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:54:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.857129194999999 -2.783545030000000 0.000000000000000 b 7.857129194999999 2.783545030000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.479309679999999 Atomic positions (fractional): 1 Ti 0.18878259759401 0.81121740240599 0.26570083878486 47.867 2 Ti 0.81121740240599 0.18878259759401 0.76570083878486 47.867 3 Bi 0.54453765535124 0.11622621560452 0.23938042338298 208.980 4 Bi 0.11622621560452 0.54453765535124 0.73938042338298 208.980 5 Bi 0.88377378439548 0.45546234464876 0.23938042338298 208.980 6 Bi 0.45546234464876 0.88377378439548 0.73938042338298 208.980 7 O 0.25036332795209 0.55836785726830 0.34250049276487 15.999 8 O 0.55836785726830 0.25036332795209 0.84250049276487 15.999 9 O 0.26008824734805 0.23566300057878 0.51092344719044 15.999 10 O 0.23566300057878 0.26008824734805 0.01092344719044 15.999 11 O 0.73991175265195 0.76433699942122 0.01092344719044 15.999 12 O 0.76433699942122 0.73991175265195 0.51092344719044 15.999 13 O 0.44163214273170 0.74963667204791 0.34250049276487 15.999 14 O 0.74963667204792 0.44163214273170 0.84250049276487 15.999 15 O 0.90437856579839 0.09562143420161 0.43994039453855 15.999 16 O 0.09562143420161 0.90437856579839 0.93994039453855 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.714258389999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.134180120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.958619359999998 Atomic positions (fractional): 1 Ti 0.00000000000000 0.40560870120299 0.13285041939243 47.867 > 1 2 Ti 0.00000000000000 0.90560870120299 0.13285041939243 47.867 > 1 3 Ti 0.00000000000000 0.40560870120299 0.63285041939243 47.867 > 1 4 Ti 0.00000000000000 0.90560870120299 0.63285041939243 47.867 > 1 5 Ti 0.00000000000000 0.09439129879701 0.38285041939243 47.867 > 5 6 Ti 0.00000000000000 0.59439129879701 0.38285041939243 47.867 > 5 7 Ti 0.00000000000000 0.09439129879701 0.88285041939243 47.867 > 5 8 Ti 0.00000000000000 0.59439129879701 0.88285041939243 47.867 > 5 9 Ti 0.50000000000000 0.15560870120299 0.13285041939243 47.867 > 1 10 Ti 0.50000000000000 0.65560870120299 0.13285041939243 47.867 > 1 11 Ti 0.50000000000000 0.15560870120299 0.63285041939243 47.867 > 1 12 Ti 0.50000000000000 0.65560870120299 0.63285041939243 47.867 > 1 13 Ti 0.50000000000000 0.34439129879701 0.38285041939243 47.867 > 5 14 Ti 0.50000000000000 0.84439129879701 0.38285041939243 47.867 > 5 15 Ti 0.50000000000000 0.34439129879701 0.88285041939243 47.867 > 5 16 Ti 0.50000000000000 0.84439129879701 0.88285041939243 47.867 > 5 17 Bi 0.33038193547788 0.39292214006332 0.11969021169149 208.980 > 17 18 Bi 0.33038193547788 0.89292214006332 0.11969021169149 208.980 > 17 19 Bi 0.33038193547788 0.39292214006332 0.61969021169149 208.980 > 17 20 Bi 0.33038193547788 0.89292214006332 0.61969021169149 208.980 > 17 21 Bi 0.33038193547788 0.10707785993668 0.36969021169149 208.980 > 21 22 Bi 0.33038193547788 0.60707785993668 0.36969021169149 208.980 > 21 23 Bi 0.33038193547788 0.10707785993668 0.86969021169149 208.980 > 21 24 Bi 0.33038193547788 0.60707785993668 0.86969021169149 208.980 > 21 25 Bi 0.16961806452212 0.14292214006332 0.11969021169149 208.980 > 25 26 Bi 0.16961806452212 0.64292214006332 0.11969021169149 208.980 > 25 27 Bi 0.16961806452212 0.14292214006332 0.61969021169149 208.980 > 25 28 Bi 0.16961806452212 0.64292214006332 0.61969021169149 208.980 > 25 29 Bi 0.16961806452212 0.35707785993668 0.36969021169149 208.980 > 29 30 Bi 0.16961806452212 0.85707785993668 0.36969021169149 208.980 > 29 31 Bi 0.16961806452212 0.35707785993668 0.86969021169149 208.980 > 29 32 Bi 0.16961806452212 0.85707785993668 0.86969021169149 208.980 > 29 33 Bi 0.83038193547788 0.14292214006332 0.11969021169149 208.980 > 17 34 Bi 0.83038193547788 0.64292214006332 0.11969021169149 208.980 > 17 35 Bi 0.83038193547788 0.14292214006332 0.61969021169149 208.980 > 17 36 Bi 0.83038193547788 0.64292214006332 0.61969021169149 208.980 > 17 37 Bi 0.83038193547788 0.35707785993668 0.36969021169149 208.980 > 21 38 Bi 0.83038193547788 0.85707785993668 0.36969021169149 208.980 > 21 39 Bi 0.83038193547788 0.35707785993668 0.86969021169149 208.980 > 21 40 Bi 0.83038193547788 0.85707785993668 0.86969021169149 208.980 > 21 41 Bi 0.66961806452212 0.39292214006332 0.11969021169149 208.980 > 25 42 Bi 0.66961806452212 0.89292214006332 0.11969021169149 208.980 > 25 43 Bi 0.66961806452212 0.39292214006332 0.61969021169149 208.980 > 25 44 Bi 0.66961806452212 0.89292214006332 0.61969021169149 208.980 > 25 45 Bi 0.66961806452212 0.10707785993668 0.36969021169149 208.980 > 29 46 Bi 0.66961806452212 0.60707785993668 0.36969021169149 208.980 > 29 47 Bi 0.66961806452212 0.10707785993668 0.86969021169149 208.980 > 29 48 Bi 0.66961806452212 0.60707785993668 0.86969021169149 208.980 > 29 49 O 0.40436559261019 0.07700113232905 0.17125024638244 15.999 > 49 50 O 0.40436559261019 0.57700113232905 0.17125024638244 15.999 > 49 51 O 0.40436559261019 0.07700113232905 0.67125024638244 15.999 > 49 52 O 0.40436559261019 0.57700113232905 0.67125024638244 15.999 > 49 53 O 0.40436559261019 0.42299886767095 0.42125024638244 15.999 > 53 54 O 0.40436559261019 0.92299886767095 0.42125024638244 15.999 > 53 55 O 0.40436559261019 0.42299886767095 0.92125024638244 15.999 > 53 56 O 0.40436559261019 0.92299886767095 0.92125024638244 15.999 > 53 57 O 0.24787562396341 0.49389368830768 0.25546172359522 15.999 > 57 58 O 0.24787562396341 0.99389368830768 0.25546172359522 15.999 > 57 59 O 0.24787562396341 0.49389368830768 0.75546172359522 15.999 > 57 60 O 0.24787562396341 0.99389368830768 0.75546172359522 15.999 > 57 61 O 0.24787562396341 0.00610631169232 0.00546172359522 15.999 > 61 62 O 0.24787562396341 0.50610631169232 0.00546172359522 15.999 > 61 63 O 0.24787562396341 0.00610631169232 0.50546172359522 15.999 > 61 64 O 0.24787562396341 0.50610631169232 0.50546172359522 15.999 > 61 65 O 0.25212437603659 0.25610631169232 0.00546172359522 15.999 > 65 66 O 0.25212437603659 0.75610631169232 0.00546172359522 15.999 > 65 67 O 0.25212437603659 0.25610631169232 0.50546172359522 15.999 > 65 68 O 0.25212437603659 0.75610631169232 0.50546172359522 15.999 > 65 69 O 0.25212437603659 0.24389368830768 0.25546172359522 15.999 > 69 70 O 0.25212437603659 0.74389368830768 0.25546172359522 15.999 > 69 71 O 0.25212437603659 0.24389368830768 0.75546172359522 15.999 > 69 72 O 0.25212437603659 0.74389368830768 0.75546172359522 15.999 > 69 73 O 0.09563440738981 0.32700113232905 0.17125024638244 15.999 > 73 74 O 0.09563440738981 0.82700113232905 0.17125024638244 15.999 > 73 75 O 0.09563440738981 0.32700113232905 0.67125024638244 15.999 > 73 76 O 0.09563440738981 0.82700113232905 0.67125024638244 15.999 > 73 77 O 0.09563440738981 0.17299886767095 0.42125024638244 15.999 > 77 78 O 0.09563440738981 0.67299886767095 0.42125024638244 15.999 > 77 79 O 0.09563440738981 0.17299886767095 0.92125024638244 15.999 > 77 80 O 0.09563440738981 0.67299886767095 0.92125024638244 15.999 > 77 81 O 0.00000000000000 0.04781071710081 0.21997019726927 15.999 > 81 82 O 0.00000000000000 0.54781071710081 0.21997019726927 15.999 > 81 83 O 0.00000000000000 0.04781071710081 0.71997019726928 15.999 > 81 84 O 0.00000000000000 0.54781071710081 0.71997019726928 15.999 > 81 85 O 0.00000000000000 0.45218928289919 0.46997019726928 15.999 > 85 86 O 0.00000000000000 0.95218928289919 0.46997019726928 15.999 > 85 87 O 0.00000000000000 0.45218928289919 0.96997019726928 15.999 > 85 88 O 0.00000000000000 0.95218928289919 0.96997019726928 15.999 > 85 89 O 0.90436559261019 0.32700113232905 0.17125024638244 15.999 > 49 90 O 0.90436559261019 0.82700113232905 0.17125024638244 15.999 > 49 91 O 0.90436559261019 0.32700113232905 0.67125024638244 15.999 > 49 92 O 0.90436559261019 0.82700113232905 0.67125024638244 15.999 > 49 93 O 0.90436559261019 0.17299886767095 0.42125024638244 15.999 > 53 94 O 0.90436559261019 0.67299886767095 0.42125024638244 15.999 > 53 95 O 0.90436559261019 0.17299886767095 0.92125024638244 15.999 > 53 96 O 0.90436559261019 0.67299886767095 0.92125024638244 15.999 > 53 97 O 0.74787562396341 0.24389368830768 0.25546172359522 15.999 > 57 98 O 0.74787562396341 0.74389368830768 0.25546172359522 15.999 > 57 99 O 0.74787562396341 0.24389368830768 0.75546172359522 15.999 > 57 100 O 0.74787562396341 0.74389368830768 0.75546172359522 15.999 > 57 101 O 0.74787562396341 0.25610631169232 0.00546172359522 15.999 > 61 102 O 0.74787562396341 0.75610631169232 0.00546172359522 15.999 > 61 103 O 0.74787562396341 0.25610631169232 0.50546172359522 15.999 > 61 104 O 0.74787562396341 0.75610631169232 0.50546172359522 15.999 > 61 105 O 0.75212437603659 0.00610631169232 0.00546172359522 15.999 > 65 106 O 0.75212437603659 0.50610631169232 0.00546172359522 15.999 > 65 107 O 0.75212437603659 0.00610631169232 0.50546172359522 15.999 > 65 108 O 0.75212437603659 0.50610631169232 0.50546172359522 15.999 > 65 109 O 0.75212437603659 0.49389368830768 0.25546172359522 15.999 > 69 110 O 0.75212437603659 0.99389368830768 0.25546172359522 15.999 > 69 111 O 0.75212437603659 0.49389368830768 0.75546172359522 15.999 > 69 112 O 0.75212437603659 0.99389368830768 0.75546172359522 15.999 > 69 113 O 0.59563440738981 0.07700113232905 0.17125024638244 15.999 > 73 114 O 0.59563440738981 0.57700113232905 0.17125024638244 15.999 > 73 115 O 0.59563440738981 0.07700113232905 0.67125024638244 15.999 > 73 116 O 0.59563440738981 0.57700113232905 0.67125024638244 15.999 > 73 117 O 0.59563440738981 0.42299886767095 0.42125024638244 15.999 > 77 118 O 0.59563440738981 0.92299886767095 0.42125024638244 15.999 > 77 119 O 0.59563440738981 0.42299886767095 0.92125024638244 15.999 > 77 120 O 0.59563440738981 0.92299886767095 0.92125024638244 15.999 > 77 121 O 0.50000000000000 0.29781071710081 0.21997019726927 15.999 > 81 122 O 0.50000000000000 0.79781071710081 0.21997019726927 15.999 > 81 123 O 0.50000000000000 0.29781071710081 0.71997019726928 15.999 > 81 124 O 0.50000000000000 0.79781071710081 0.71997019726928 15.999 > 81 125 O 0.50000000000000 0.20218928289919 0.46997019726928 15.999 > 85 126 O 0.50000000000000 0.70218928289919 0.46997019726928 15.999 > 85 127 O 0.50000000000000 0.20218928289919 0.96997019726928 15.999 > 85 128 O 0.50000000000000 0.70218928289919 0.96997019726928 15.999 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7885568 0.0000000 0.0000000 0.0000000 5.8198208 0.0000000 0.0000000 0.0000000 5.6726710 -------------------------- Born effective charges -------------------------- 1 Ti 5.1613455 0.0000000 0.0000000 0.0000000 4.1751209 -0.6048039 0.0000000 0.0938780 3.8682381 2 Ti 5.1613455 0.0000000 0.0000000 0.0000000 4.1751209 0.6048039 0.0000000 -0.0938780 3.8682381 3 Bi 4.1734057 0.9817329 -0.2345088 0.5542482 4.7930601 0.2394361 0.0703303 0.2596579 4.7891934 4 Bi 4.1734057 -0.9817329 -0.2345088 -0.5542482 4.7930601 -0.2394361 0.0703303 -0.2596579 4.7891934 5 Bi 4.1734057 -0.9817329 0.2345088 -0.5542482 4.7930601 0.2394361 -0.0703303 0.2596579 4.7891934 6 Bi 4.1734057 0.9817329 0.2345088 0.5542482 4.7930601 -0.2394361 -0.0703303 -0.2596579 4.7891934 7 O -3.7211071 -1.8183144 0.9944695 -1.5545462 -2.4997666 -0.0247531 0.5188854 -0.2771517 -1.9958876 8 O -3.7211071 1.8183144 0.9944695 1.5545462 -2.4997666 0.0247531 0.5188854 0.2771517 -1.9958876 9 O -2.3569521 -0.2103149 0.2596934 -0.4176354 -3.0148369 0.1920121 0.2131895 -0.2121725 -2.9820184 10 O -2.3569521 0.2103149 0.2596934 0.4176354 -3.0148369 -0.1920121 0.2131895 0.2121725 -2.9820184 11 O -2.3569521 -0.2103149 -0.2596934 -0.4176354 -3.0148369 -0.1920121 -0.2131895 0.2121725 -2.9820184 12 O -2.3569521 0.2103149 -0.2596934 0.4176354 -3.0148369 0.1920121 -0.2131895 -0.2121725 -2.9820184 13 O -3.7211071 1.8183144 -0.9944695 1.5545462 -2.4997666 -0.0247531 -0.5188854 -0.2771517 -1.9958876 14 O -3.7211071 -1.8183144 -0.9944695 -1.5545462 -2.4997666 0.0247531 -0.5188854 0.2771517 -1.9958876 15 O -1.3520385 0.0000000 0.0000000 0.0000000 -2.7320342 -1.6505267 0.0000000 -1.4597789 -3.4908131 16 O -1.3520385 0.0000000 0.0000000 0.0000000 -2.7320342 1.6505267 0.0000000 1.4597789 -3.4908131 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000016 (yyy) 0.00000016 (yyy) 0.00000016 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 319, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/155) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 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 1.900 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 -0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 -0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 -0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 -0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 -0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.738 ( 0.000 0.000 -0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.000 0.000 0.000) 0.000 8.060 ( 0.000 0.000 -0.000) 0.000 8.273 ( 0.000 0.000 -0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 0.000) 0.000 9.387 ( 0.000 0.000 -0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 10.812 ( 0.000 0.000 0.000) 0.000 11.320 ( 0.000 0.000 0.000) 0.000 12.230 ( 0.000 0.000 0.000) 0.000 12.687 ( 0.000 0.000 0.000) 0.000 13.371 ( 0.000 0.000 0.000) 0.000 13.463 ( 0.000 0.000 -0.000) 0.000 14.454 ( 0.000 0.000 0.000) 0.000 15.316 ( 0.000 0.000 0.000) 0.000 16.008 ( 0.000 0.000 0.000) 0.000 16.045 ( 0.000 0.000 0.000) 0.000 19.786 ( 0.000 0.000 0.000) 0.000 20.088 ( 0.000 0.000 -0.000) 0.000 20.946 ( 0.000 0.000 0.000) 0.000 22.358 ( 0.000 0.000 -0.000) 0.000 23.679 ( 0.000 0.000 0.000) 0.000 24.834 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/155) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 4.956 -21.419 0.000) 21.985 0.434 ( 3.911 -21.532 0.000) 21.884 0.775 ( 13.539 -35.593 0.000) 38.081 1.947 ( -0.288 -4.578 0.000) 4.587 2.230 ( -0.211 -2.333 0.000) 2.343 2.420 ( 0.790 0.143 0.000) 0.803 2.588 ( -13.845 -3.254 0.000) 14.222 2.658 ( 0.245 3.469 0.000) 3.477 2.929 ( 3.142 4.747 0.000) 5.692 3.074 ( -2.460 -2.594 0.000) 3.575 3.420 ( 5.467 1.694 0.000) 5.723 3.526 ( -3.548 -6.624 0.000) 7.514 3.859 ( -16.425 0.572 0.000) 16.435 3.951 ( -2.502 1.407 0.000) 2.871 4.337 ( 25.135 14.970 0.000) 29.255 4.489 ( -2.494 1.359 0.000) 2.840 4.669 ( 1.047 2.053 0.000) 2.304 4.738 ( -0.187 -0.246 0.000) 0.309 4.832 ( 5.602 -5.161 0.000) 7.617 6.143 ( -2.618 16.939 0.000) 17.140 6.519 ( -7.870 -10.557 0.000) 13.168 6.840 ( 10.966 9.315 0.000) 14.389 6.953 ( 3.310 -13.292 0.000) 13.698 7.426 ( 1.071 9.033 0.000) 9.096 8.014 ( -3.531 -1.715 0.000) 3.925 8.253 ( -4.069 -4.595 0.000) 6.138 8.455 ( 3.653 -10.398 0.000) 11.021 8.626 ( 6.229 5.365 0.000) 8.221 9.391 ( -1.336 -1.206 0.000) 1.800 9.482 ( -2.044 -1.766 0.000) 2.702 9.710 ( 1.390 -4.556 0.000) 4.763 10.231 ( -63.409 -25.809 0.000) 68.460 10.823 ( -2.079 -2.311 0.000) 3.108 11.446 ( -1.384 -13.985 0.000) 14.053 12.275 ( 17.306 8.591 0.000) 19.321 13.368 ( -5.087 1.179 0.000) 5.221 13.387 ( -0.382 3.880 0.000) 3.899 13.642 ( -46.464 -18.779 0.000) 50.116 14.699 ( 56.819 29.285 0.000) 63.922 15.582 ( 11.110 2.116 0.000) 11.310 16.025 ( 3.716 0.084 0.000) 3.716 16.105 ( 0.672 1.766 0.000) 1.890 19.789 ( -0.075 -0.331 0.000) 0.339 20.920 ( -0.438 2.562 0.000) 2.599 21.733 (-102.053 -30.985 0.000) 106.653 23.348 ( 103.715 48.951 0.000) 114.687 23.735 ( 7.660 -1.459 0.000) 7.798 25.026 ( -0.521 -4.046 0.000) 4.079 ======================= Grid point 2 (3/155) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 1.461 -14.625 0.000) 14.698 0.833 ( 5.086 -19.295 0.000) 19.954 1.391 ( 5.192 -24.425 0.000) 24.971 2.021 ( -0.416 -2.847 0.000) 2.877 2.273 ( -0.726 -2.035 0.000) 2.161 2.407 ( 0.936 1.111 0.000) 1.453 2.521 ( -1.018 4.357 0.000) 4.475 2.654 ( -0.789 -4.331 0.000) 4.402 2.933 ( 2.110 -3.580 0.000) 4.155 3.099 ( -1.873 -1.510 0.000) 2.406 3.423 ( 5.070 1.599 0.000) 5.316 3.586 ( -6.709 -0.512 0.000) 6.728 3.765 ( -12.561 -3.182 0.000) 12.958 3.869 ( -3.276 5.109 0.000) 6.069 4.168 ( 4.349 13.605 0.000) 14.283 4.438 ( -0.011 3.155 0.000) 3.155 4.576 ( 1.351 7.970 0.000) 8.084 4.795 ( -0.683 -5.538 0.000) 5.580 4.987 ( 9.702 -4.916 0.000) 10.876 5.815 ( -0.455 17.701 0.000) 17.707 6.549 ( -4.178 2.588 0.000) 4.914 6.906 ( 10.310 -8.186 0.000) 13.165 7.186 ( 0.830 -7.841 0.000) 7.885 7.294 ( 5.518 3.856 0.000) 6.732 8.033 ( -4.699 -2.341 0.000) 5.250 8.268 ( 2.873 3.120 0.000) 4.241 8.539 ( -5.339 -7.304 0.000) 9.047 8.755 ( 8.297 -8.481 0.000) 11.864 9.401 ( -2.357 -0.973 0.000) 2.550 9.506 ( -2.109 -1.630 0.000) 2.665 9.839 ( 1.242 -8.624 0.000) 8.713 10.286 ( -21.855 -9.452 0.000) 23.812 10.892 ( -4.001 -8.277 0.000) 9.193 11.777 ( -1.562 -23.163 0.000) 23.216 12.199 ( 8.815 9.319 0.000) 12.827 13.235 ( -3.905 6.103 0.000) 7.246 13.395 ( -0.858 -1.852 0.000) 2.041 13.667 ( -22.714 -8.260 0.000) 24.169 14.471 ( 17.870 22.012 0.000) 28.353 15.628 ( 3.388 -1.813 0.000) 3.843 16.017 ( -1.652 1.476 0.000) 2.215 16.095 ( 5.107 1.598 0.000) 5.351 19.794 ( -0.175 -0.227 0.000) 0.287 20.855 ( -0.776 3.989 0.000) 4.064 21.626 ( -44.216 -9.704 0.000) 45.268 23.078 ( 52.071 35.789 0.000) 63.184 23.801 ( 2.934 -2.006 0.000) 3.554 25.102 ( -1.693 -4.592 0.000) 4.894 ======================= Grid point 3 (4/155) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 2.765 -5.078 0.000) 5.782 1.185 ( 2.574 -17.133 0.000) 17.325 1.664 ( -6.746 -6.481 0.000) 9.354 2.012 ( 0.121 4.286 0.000) 4.287 2.308 ( -1.619 -4.219 0.000) 4.519 2.397 ( 1.328 0.243 0.000) 1.350 2.529 ( 5.064 -2.960 0.000) 5.866 2.751 ( -2.250 -5.876 0.000) 6.292 3.028 ( 0.565 -3.241 0.000) 3.290 3.143 ( 4.424 -5.265 0.000) 6.877 3.353 ( -4.551 8.382 0.000) 9.538 3.548 ( 2.297 -1.290 0.000) 2.635 3.720 ( -6.705 5.660 0.000) 8.774 3.810 ( -11.650 -4.832 0.000) 12.612 3.969 ( -0.527 6.985 0.000) 7.005 4.384 ( 2.999 3.753 0.000) 4.804 4.414 ( 0.337 10.332 0.000) 10.337 4.907 ( 1.568 -5.846 0.000) 6.052 5.076 ( 6.781 1.668 0.000) 6.984 5.526 ( 2.434 14.373 0.000) 14.578 6.512 ( 4.459 0.368 0.000) 4.474 7.008 ( -2.256 0.329 0.000) 2.280 7.257 ( 1.903 -2.693 0.000) 3.297 7.447 ( 10.584 -9.845 0.000) 14.455 8.065 ( -0.216 -5.229 0.000) 5.234 8.211 ( 4.791 5.608 0.000) 7.376 8.732 ( -6.102 -15.793 0.000) 16.931 8.921 ( 2.474 -6.335 0.000) 6.801 9.389 ( -3.277 0.460 0.000) 3.309 9.492 ( -3.158 1.515 0.000) 3.503 10.012 ( 0.075 -9.299 0.000) 9.299 10.277 ( -8.513 -0.836 0.000) 8.554 11.073 ( -2.034 -13.274 0.000) 13.429 12.042 ( 4.555 12.078 0.000) 12.909 12.244 ( 0.183 -27.912 0.000) 27.912 13.137 ( -3.160 1.690 0.000) 3.583 13.426 ( 0.207 -1.221 0.000) 1.238 13.648 ( -14.124 -2.890 0.000) 14.416 14.151 ( 5.581 21.591 0.000) 22.300 15.681 ( 0.618 -2.394 0.000) 2.473 15.983 ( -2.584 0.269 0.000) 2.598 16.084 ( 5.196 3.523 0.000) 6.278 19.794 ( -0.177 -0.007 0.000) 0.177 20.780 ( -0.561 3.598 0.000) 3.642 21.542 ( -22.160 -4.824 0.000) 22.679 22.746 ( 29.515 29.218 0.000) 41.531 23.844 ( 0.792 -1.527 0.000) 1.720 25.155 ( -1.255 -2.253 0.000) 2.580 ======================= Grid point 4 (5/155) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 9.358 -5.915 0.000) 11.071 1.476 ( -0.366 -13.659 0.000) 13.664 1.592 ( -12.893 5.096 0.000) 13.864 1.890 ( 1.460 8.942 0.000) 9.060 2.379 ( -0.290 -2.546 0.000) 2.562 2.445 ( -0.723 -5.501 0.000) 5.548 2.621 ( 4.276 -2.584 0.000) 4.996 2.762 ( -4.111 1.693 0.000) 4.446 3.102 ( 1.253 0.147 0.000) 1.262 3.160 ( 0.898 3.574 0.000) 3.685 3.313 ( 3.577 -7.958 0.000) 8.725 3.541 ( -5.426 6.737 0.000) 8.650 3.622 ( -1.340 -3.029 0.000) 3.312 3.780 ( -5.553 0.993 0.000) 5.641 3.957 ( -2.100 -4.368 0.000) 4.846 4.223 ( -0.347 10.140 0.000) 10.146 4.350 ( 4.210 2.501 0.000) 4.897 4.948 ( 1.090 4.195 0.000) 4.335 5.089 ( 1.443 -3.953 0.000) 4.208 5.341 ( 3.905 9.084 0.000) 9.888 6.577 ( 4.553 -3.000 0.000) 5.453 6.973 ( -1.470 1.000 0.000) 1.778 7.288 ( 0.905 -0.206 0.000) 0.929 7.647 ( 6.419 -4.960 0.000) 8.112 8.123 ( 0.116 4.010 0.000) 4.012 8.272 ( 6.723 -12.719 0.000) 14.387 8.865 ( -1.203 1.106 0.000) 1.634 9.085 ( -5.600 -13.414 0.000) 14.536 9.349 ( -2.620 1.381 0.000) 2.962 9.422 ( -1.620 3.935 0.000) 4.256 10.147 ( -0.653 -5.302 0.000) 5.342 10.239 ( -3.669 0.028 0.000) 3.670 11.314 ( 0.670 -13.570 0.000) 13.587 11.817 ( 1.588 14.395 0.000) 14.482 12.775 ( 1.377 -29.590 0.000) 29.622 13.148 ( -1.113 -4.469 0.000) 4.605 13.402 ( -0.252 4.742 0.000) 4.749 13.615 ( -6.835 -1.248 0.000) 6.948 13.770 ( 0.665 22.819 0.000) 22.829 15.716 ( -0.576 -1.566 0.000) 1.669 15.972 ( -2.376 -0.348 0.000) 2.401 16.047 ( 4.194 3.190 0.000) 5.269 19.793 ( -0.079 0.015 0.000) 0.080 20.727 ( -0.136 1.924 0.000) 1.929 21.521 ( -9.864 -3.903 0.000) 10.608 22.441 ( 13.749 18.693 0.000) 23.205 23.867 ( -0.016 -0.765 0.000) 0.765 25.171 ( -0.606 -0.440 0.000) 0.749 ======================= Grid point 5 (6/155) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 -0.000 0.000) 0.000 1.386 ( -0.000 0.000 0.000) 0.000 1.684 ( 0.000 0.000 0.000) 0.000 1.743 ( -0.000 -0.000 0.000) 0.000 2.400 ( 0.000 -0.000 0.000) 0.000 2.511 ( 0.000 -0.000 0.000) 0.000 2.649 ( 0.000 -0.000 0.000) 0.000 2.730 ( 0.000 -0.000 0.000) 0.000 3.014 ( 0.000 -0.000 0.000) 0.000 3.246 ( -0.000 -0.000 0.000) 0.000 3.395 ( 0.000 -0.000 0.000) 0.000 3.439 ( 0.000 -0.000 0.000) 0.000 3.668 ( -0.000 -0.000 0.000) 0.000 3.729 ( 0.000 -0.000 0.000) 0.000 4.029 ( 0.000 -0.000 0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 -0.000 0.000) 0.000 4.892 ( 0.000 -0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.245 ( -0.000 -0.000 0.000) 0.000 6.627 ( -0.000 -0.000 0.000) 0.000 6.961 ( -0.000 -0.000 0.000) 0.000 7.291 ( 0.000 -0.000 0.000) 0.000 7.710 ( 0.000 -0.000 0.000) 0.000 8.079 ( 0.000 -0.000 0.000) 0.000 8.476 ( 0.000 -0.000 0.000) 0.000 8.790 ( -0.000 -0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.318 ( 0.000 -0.000 0.000) 0.000 9.367 ( 0.000 -0.000 0.000) 0.000 10.190 ( -0.000 -0.000 0.000) 0.000 10.232 ( 0.000 -0.000 0.000) 0.000 11.562 ( 0.000 -0.000 0.000) 0.000 11.565 ( -0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 0.000) 0.000 13.248 ( -0.000 -0.000 0.000) 0.000 13.295 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 -0.000 0.000) 0.000 13.622 ( 0.000 -0.000 0.000) 0.000 15.729 ( 0.000 -0.000 0.000) 0.000 15.963 ( 0.000 -0.000 0.000) 0.000 16.034 ( 0.000 0.000 0.000) 0.000 19.793 ( 0.000 -0.000 0.000) 0.000 20.709 ( 0.000 -0.000 0.000) 0.000 21.532 ( 0.000 -0.000 0.000) 0.000 22.306 ( 0.000 -0.000 0.000) 0.000 23.873 ( 0.000 -0.000 0.000) 0.000 25.172 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/155) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 22.031 0.000 0.000) 22.031 0.349 ( 26.847 0.000 0.000) 26.847 0.470 ( 36.405 0.000 0.000) 36.405 1.892 ( -1.121 -0.000 0.000) 1.121 2.192 ( 0.181 0.000 0.000) 0.181 2.199 ( -1.790 -0.000 0.000) 1.790 2.434 ( 3.231 0.000 0.000) 3.231 2.692 ( 0.362 0.000 0.000) 0.362 2.984 ( -0.136 -0.000 0.000) 0.136 3.042 ( -1.895 -0.000 0.000) 1.895 3.448 ( -3.299 -0.000 0.000) 3.299 3.531 ( -1.536 -0.000 0.000) 1.536 3.809 ( 8.127 0.000 0.000) 8.127 3.881 ( -8.026 -0.000 0.000) 8.026 4.453 ( -5.815 -0.000 0.000) 5.815 4.629 ( -2.790 -0.000 0.000) 2.790 4.733 ( 2.761 0.000 0.000) 2.761 4.816 ( 8.705 0.000 0.000) 8.705 5.322 ( 0.232 0.000 0.000) 0.232 6.190 ( 6.337 0.000 0.000) 6.337 6.365 ( -10.155 -0.000 0.000) 10.155 6.740 ( 0.271 0.000 0.000) 0.271 7.182 ( -0.997 -0.000 0.000) 0.997 7.455 ( -9.347 -0.000 0.000) 9.347 7.975 ( -9.329 -0.000 0.000) 9.329 8.034 ( 0.507 0.000 0.000) 0.507 8.250 ( -4.369 -0.000 0.000) 4.369 8.432 ( 13.039 0.000 0.000) 13.039 8.746 ( 9.055 0.000 0.000) 9.055 9.406 ( -0.252 -0.000 0.000) 0.252 9.455 ( -4.371 -0.000 0.000) 4.371 9.686 ( 3.025 0.000 0.000) 3.025 10.801 ( -1.734 -0.000 0.000) 1.734 11.315 ( -0.647 -0.000 0.000) 0.647 12.693 ( 1.031 0.000 0.000) 1.031 12.907 ( -0.700 -0.000 0.000) 0.700 13.374 ( 0.415 0.000 0.000) 0.415 13.467 ( 0.514 0.000 0.000) 0.514 15.312 ( -0.622 -0.000 0.000) 0.622 15.939 ( -6.653 -0.000 0.000) 6.653 16.112 ( 6.439 0.000 0.000) 6.439 16.640 ( 0.014 0.000 0.000) 0.014 19.785 ( -0.025 -0.000 0.000) 0.025 20.084 ( -0.597 -0.000 0.000) 0.597 20.949 ( 0.574 0.000 0.000) 0.574 23.679 ( -0.061 -0.000 0.000) 0.061 24.834 ( -0.005 -0.000 0.000) 0.005 25.326 ( -0.096 -0.000 0.000) 0.096 ======================= Grid point 13 (8/155) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 16.924 -10.694 0.000) 20.019 0.575 ( 14.383 -14.166 0.000) 20.188 1.014 ( 20.954 -24.462 0.000) 32.210 1.940 ( -0.690 -4.593 0.000) 4.644 2.216 ( -2.343 -3.234 0.000) 3.994 2.389 ( -8.348 -7.566 0.000) 11.267 2.469 ( 1.663 -3.893 0.000) 4.234 2.655 ( -0.803 3.560 0.000) 3.649 2.962 ( 1.920 2.237 0.000) 2.948 3.046 ( -1.632 -1.495 0.000) 2.213 3.458 ( -5.639 -4.036 0.000) 6.935 3.491 ( 2.385 1.298 0.000) 2.715 3.707 ( -7.742 4.925 0.000) 9.176 3.904 ( -4.504 0.904 0.000) 4.593 4.414 ( -1.600 3.566 0.000) 3.908 4.623 ( 9.237 8.841 0.000) 12.786 4.681 ( 2.726 7.936 0.000) 8.391 4.765 ( 4.973 12.382 0.000) 13.343 4.942 ( 10.928 -6.072 0.000) 12.502 6.118 ( -0.738 15.378 0.000) 15.395 6.379 ( -13.271 -7.695 0.000) 15.340 6.930 ( 3.422 -12.176 0.000) 12.648 7.063 ( 9.750 0.739 0.000) 9.778 7.450 ( 2.191 7.811 0.000) 8.112 7.929 ( -9.532 -2.561 0.000) 9.870 8.194 ( -4.059 -7.933 0.000) 8.911 8.535 ( 8.725 -0.241 0.000) 8.728 8.751 ( 11.955 1.930 0.000) 12.110 9.229 ( -42.593 -48.400 0.000) 64.472 9.414 ( -6.972 -4.638 0.000) 8.374 9.512 ( -14.968 -18.845 0.000) 24.067 9.745 ( 2.885 -4.734 0.000) 5.544 10.794 ( -2.798 -1.180 0.000) 3.037 11.430 ( -1.115 -13.183 0.000) 13.230 12.482 ( 12.786 13.637 0.000) 18.693 13.134 ( -18.787 -12.581 0.000) 22.611 13.390 ( 0.581 0.913 0.000) 1.082 13.440 ( -1.058 -0.832 0.000) 1.346 15.095 ( 11.343 26.744 0.000) 29.050 15.752 ( 8.243 13.689 0.000) 15.979 16.098 ( 4.169 13.541 0.000) 14.168 16.158 ( 10.530 2.433 0.000) 10.807 19.787 ( -0.144 -0.279 0.000) 0.314 20.806 ( -30.942 -31.165 0.000) 43.917 20.971 ( -9.025 -11.548 0.000) 14.656 23.690 ( 0.815 0.040 0.000) 0.816 24.379 ( 45.347 54.066 0.000) 70.566 25.015 ( -1.130 -0.260 0.000) 1.160 ======================= Grid point 14 (9/155) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 7.951 -9.996 0.000) 12.772 0.917 ( 7.636 -15.547 0.000) 17.321 1.461 ( 4.806 -14.251 0.000) 15.040 2.012 ( -1.085 -3.113 0.000) 3.296 2.257 ( -1.907 -1.756 0.000) 2.593 2.413 ( -0.210 -0.712 0.000) 0.743 2.519 ( 1.500 -0.787 0.000) 1.694 2.649 ( 0.357 -4.024 0.000) 4.039 2.967 ( 3.021 -1.811 0.000) 3.522 3.084 ( -0.556 -3.655 0.000) 3.697 3.420 ( -9.898 3.325 0.000) 10.441 3.536 ( -0.531 -3.463 0.000) 3.503 3.622 ( -5.369 -1.458 0.000) 5.564 3.808 ( -5.998 4.948 0.000) 7.775 4.198 ( 1.116 16.779 0.000) 16.816 4.486 ( 7.440 5.833 0.000) 9.454 4.588 ( 0.365 8.079 0.000) 8.087 4.798 ( 1.110 -6.711 0.000) 6.802 5.110 ( 8.704 -3.694 0.000) 9.456 5.817 ( 0.618 16.593 0.000) 16.605 6.434 ( -12.191 -7.258 0.000) 14.188 7.073 ( 12.952 1.190 0.000) 13.006 7.213 ( 3.583 -6.057 0.000) 7.038 7.370 ( 6.108 -1.548 0.000) 6.301 7.963 ( -6.314 -5.947 0.000) 8.674 8.296 ( 0.918 -5.493 0.000) 5.569 8.506 ( 1.098 2.797 0.000) 3.005 8.861 ( 8.035 -4.373 0.000) 9.148 9.362 ( -3.619 -0.924 0.000) 3.735 9.461 ( -5.148 -2.874 0.000) 5.896 9.839 ( -5.517 -12.307 0.000) 13.487 9.967 ( -20.862 -24.697 0.000) 32.329 10.839 ( -4.132 -7.772 0.000) 8.802 11.758 ( -1.342 -23.567 0.000) 23.605 12.325 ( 10.124 13.161 0.000) 16.604 13.132 ( -11.956 -0.398 0.000) 11.962 13.367 ( -2.697 -1.827 0.000) 3.257 13.495 ( -4.454 -4.405 0.000) 6.264 14.645 ( 9.772 28.396 0.000) 30.031 15.680 ( 4.461 1.567 0.000) 4.728 15.979 ( -3.753 2.329 0.000) 4.417 16.179 ( 7.113 2.514 0.000) 7.544 19.791 ( -0.219 -0.212 0.000) 0.305 20.839 ( -1.765 2.550 0.000) 3.101 21.203 ( -22.875 -17.262 0.000) 28.658 23.563 ( 21.509 28.666 0.000) 35.838 23.896 ( 13.996 15.479 0.000) 20.868 25.074 ( -2.555 -5.253 0.000) 5.842 ======================= Grid point 15 (10/155) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 5.205 -6.398 0.000) 8.248 1.222 ( 2.942 -14.513 0.000) 14.808 1.577 ( -6.723 -0.215 0.000) 6.727 2.009 ( -0.623 3.091 0.000) 3.153 2.287 ( -1.407 -4.260 0.000) 4.486 2.414 ( 1.117 0.273 0.000) 1.150 2.597 ( 5.459 -3.592 0.000) 6.535 2.720 ( -2.224 -2.963 0.000) 3.705 3.051 ( 2.511 -5.201 0.000) 5.776 3.170 ( -3.640 -4.485 0.000) 5.776 3.279 ( -2.381 3.624 0.000) 4.336 3.570 ( -7.430 -2.278 0.000) 7.772 3.631 ( 0.549 3.568 0.000) 3.610 3.690 ( -5.753 -0.631 0.000) 5.788 3.973 ( 0.663 7.449 0.000) 7.479 4.414 ( -0.019 10.299 0.000) 10.299 4.443 ( 5.884 4.711 0.000) 7.538 4.932 ( 2.319 -5.899 0.000) 6.339 5.142 ( 3.221 4.193 0.000) 5.287 5.561 ( 2.669 12.714 0.000) 12.991 6.502 ( -5.443 -6.871 0.000) 8.766 7.043 ( 6.482 6.322 0.000) 9.055 7.283 ( 2.237 -0.977 0.000) 2.441 7.576 ( 8.925 -9.591 0.000) 13.101 8.078 ( 1.603 -10.238 0.000) 10.362 8.285 ( 7.633 8.712 0.000) 11.583 8.655 ( -5.853 -19.061 0.000) 19.940 8.938 ( -0.061 -0.605 0.000) 0.608 9.340 ( -4.101 0.258 0.000) 4.109 9.448 ( -3.459 0.920 0.000) 3.579 10.009 ( -1.081 -9.094 0.000) 9.158 10.148 ( -10.821 -7.750 0.000) 13.310 11.043 ( -2.445 -16.046 0.000) 16.231 12.110 ( 5.847 14.251 0.000) 15.404 12.245 ( 0.037 -28.106 0.000) 28.106 13.079 ( -5.744 -1.525 0.000) 5.943 13.416 ( -2.519 -4.428 0.000) 5.095 13.509 ( -6.239 -0.948 0.000) 6.311 14.212 ( 4.018 25.071 0.000) 25.391 15.695 ( 1.593 -0.455 0.000) 1.657 15.943 ( -3.586 -0.584 0.000) 3.633 16.155 ( 5.589 4.455 0.000) 7.148 19.792 ( -0.169 -0.069 0.000) 0.182 20.779 ( 0.751 3.322 0.000) 3.406 21.320 ( -13.282 -9.815 0.000) 16.515 23.066 ( 20.818 36.373 0.000) 41.909 23.848 ( -0.576 -0.439 0.000) 0.724 25.137 ( -1.481 -2.949 0.000) 3.300 ======================= Grid point 16 (11/155) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 9.235 -10.360 0.000) 13.878 1.419 ( -11.591 8.185 0.000) 14.190 1.479 ( -1.126 -12.032 0.000) 12.085 1.912 ( 1.817 7.845 0.000) 8.053 2.375 ( -0.000 -3.998 0.000) 3.998 2.442 ( 0.230 -4.008 0.000) 4.015 2.663 ( 0.733 0.081 0.000) 0.738 2.716 ( -1.689 -0.246 0.000) 1.707 3.050 ( -7.020 5.127 0.000) 8.693 3.209 ( 5.186 -6.673 0.000) 8.451 3.386 ( 6.822 -6.320 0.000) 9.299 3.462 ( -5.920 6.806 0.000) 9.021 3.587 ( -4.011 -2.405 0.000) 4.677 3.740 ( -1.422 -2.669 0.000) 3.024 3.926 ( -2.813 -2.523 0.000) 3.779 4.223 ( 0.418 10.141 0.000) 10.149 4.397 ( 2.945 4.235 0.000) 5.158 4.970 ( 2.069 4.385 0.000) 4.849 5.108 ( 1.846 -1.907 0.000) 2.654 5.382 ( 2.255 9.551 0.000) 9.814 6.594 ( -1.611 -4.793 0.000) 5.057 6.981 ( 2.805 3.444 0.000) 4.442 7.291 ( -0.740 0.419 0.000) 0.850 7.714 ( 3.362 -1.585 0.000) 3.717 8.171 ( 7.780 6.925 0.000) 10.416 8.363 ( 7.324 -13.638 0.000) 15.480 8.828 ( -4.946 4.246 0.000) 6.519 9.007 ( -6.291 -16.456 0.000) 17.618 9.312 ( -3.004 0.010 0.000) 3.004 9.407 ( -0.673 1.850 0.000) 1.969 10.133 ( -1.952 -5.388 0.000) 5.731 10.192 ( -2.965 -3.598 0.000) 4.663 11.324 ( 0.767 -14.698 0.000) 14.718 11.842 ( 2.228 16.791 0.000) 16.938 12.789 ( 0.826 -30.004 0.000) 30.015 13.136 ( -0.791 -6.889 0.000) 6.935 13.398 ( -0.400 6.098 0.000) 6.111 13.529 ( -6.178 -6.438 0.000) 8.923 13.777 ( 0.433 25.313 0.000) 25.316 15.713 ( 0.181 -1.049 0.000) 1.065 15.941 ( -2.373 -1.088 0.000) 2.611 16.101 ( 4.044 4.632 0.000) 6.149 19.792 ( -0.068 -0.049 0.000) 0.084 20.736 ( 1.554 2.257 0.000) 2.740 21.415 ( -6.901 -8.215 0.000) 10.729 22.595 ( 10.296 25.832 0.000) 27.808 23.858 ( -1.441 -1.143 0.000) 1.840 25.163 ( -0.621 -0.938 0.000) 1.125 ======================= Grid point 17 (12/155) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -11.183 9.804 0.000) 14.872 1.493 ( 9.598 -11.968 0.000) 15.341 1.681 ( -0.410 -8.817 0.000) 8.826 1.751 ( 1.193 9.338 0.000) 9.414 2.410 ( 1.435 0.573 0.000) 1.545 2.514 ( 0.740 -1.148 0.000) 1.365 2.635 ( -2.365 1.434 0.000) 2.766 2.727 ( -0.296 -1.941 0.000) 1.963 2.995 ( -2.460 -4.139 0.000) 4.815 3.229 ( -1.974 7.483 0.000) 7.739 3.410 ( 2.038 1.788 0.000) 2.711 3.458 ( 2.148 -4.133 0.000) 4.657 3.688 ( 2.925 -4.598 0.000) 5.450 3.720 ( -0.902 -0.172 0.000) 0.918 4.012 ( -2.668 -5.353 0.000) 5.982 4.093 ( 0.406 1.610 0.000) 1.661 4.326 ( -2.365 3.162 0.000) 3.949 4.921 ( 4.201 1.576 0.000) 4.487 5.157 ( -1.763 -0.550 0.000) 1.847 5.248 ( 0.301 4.401 0.000) 4.411 6.609 ( -2.264 2.502 0.000) 3.375 6.962 ( 0.079 -0.501 0.000) 0.507 7.274 ( -2.294 -0.241 0.000) 2.307 7.702 ( -0.689 3.428 0.000) 3.496 8.133 ( 7.313 2.808 0.000) 7.834 8.445 ( -4.277 9.233 0.000) 10.175 8.794 ( 0.297 -6.102 0.000) 6.109 9.215 ( -0.665 -6.310 0.000) 6.345 9.320 ( 0.250 -2.724 0.000) 2.735 9.369 ( 0.266 1.615 0.000) 1.637 10.187 ( -0.344 -1.312 0.000) 1.356 10.235 ( 0.380 -1.762 0.000) 1.803 11.559 ( -0.114 14.762 0.000) 14.763 11.573 ( 0.834 -12.593 0.000) 12.620 13.245 ( 0.068 2.261 0.000) 2.262 13.257 ( 0.855 2.694 0.000) 2.826 13.292 ( -0.377 5.089 0.000) 5.103 13.354 ( 0.026 -9.340 0.000) 9.340 13.612 ( -1.329 -5.087 0.000) 5.258 15.731 ( 0.199 -0.495 0.000) 0.534 15.955 ( -0.893 -1.884 0.000) 2.085 16.045 ( 1.380 3.414 0.000) 3.682 19.793 ( -0.002 -0.045 0.000) 0.045 20.719 ( 1.365 0.585 0.000) 1.485 21.528 ( -0.513 -6.899 0.000) 6.918 22.307 ( 0.228 9.328 0.000) 9.331 23.866 ( -0.990 -0.572 0.000) 1.144 25.172 ( -0.026 -0.404 0.000) 0.405 ======================= Grid point 18 (13/155) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -5.973 1.947 0.000) 6.282 1.477 ( 0.041 15.598 0.000) 15.599 1.737 ( 8.902 -4.570 0.000) 10.006 1.876 ( -0.805 -9.689 0.000) 9.722 2.377 ( -0.591 2.875 0.000) 2.935 2.463 ( 2.160 6.182 0.000) 6.548 2.567 ( -4.052 3.984 0.000) 5.683 2.809 ( 3.097 -3.770 0.000) 4.879 3.064 ( -2.638 5.217 0.000) 5.846 3.137 ( -3.162 -7.642 0.000) 8.270 3.308 ( 1.456 5.540 0.000) 5.728 3.579 ( 0.663 1.778 0.000) 1.898 3.636 ( 1.335 -4.273 0.000) 4.477 3.872 ( 7.866 -5.556 0.000) 9.631 3.977 ( 0.714 3.839 0.000) 3.904 4.226 ( -0.098 -10.118 0.000) 10.119 4.298 ( -3.579 -2.952 0.000) 4.639 4.949 ( 1.357 -0.479 0.000) 1.439 5.065 ( -2.440 5.262 0.000) 5.800 5.292 ( -3.431 -8.464 0.000) 9.133 6.501 ( -5.855 4.727 0.000) 7.525 7.002 ( 2.267 -2.929 0.000) 3.703 7.276 ( -0.772 -0.473 0.000) 0.905 7.577 ( -3.943 9.539 0.000) 10.322 8.140 ( 1.739 0.128 0.000) 1.744 8.200 ( -4.131 10.522 0.000) 11.304 8.868 ( -0.299 -0.418 0.000) 0.514 9.141 ( 3.076 13.064 0.000) 13.421 9.377 ( 1.670 -2.626 0.000) 3.112 9.442 ( 1.221 -6.013 0.000) 6.135 10.155 ( 0.566 5.349 0.000) 5.379 10.275 ( 1.849 -2.495 0.000) 3.106 11.307 ( -0.376 12.880 0.000) 12.885 11.803 ( -0.627 -12.508 0.000) 12.524 12.758 ( -1.064 29.270 0.000) 29.289 13.161 ( 0.782 3.252 0.000) 3.344 13.405 ( 0.194 -3.579 0.000) 3.584 13.692 ( 4.965 -6.800 0.000) 8.420 13.760 ( -1.069 -18.909 0.000) 18.940 15.725 ( 0.644 1.646 0.000) 1.768 15.995 ( -0.135 -2.375 0.000) 2.378 16.004 ( -0.939 0.716 0.000) 1.181 19.794 ( 0.059 -0.083 0.000) 0.102 20.735 ( 0.840 -1.611 0.000) 1.816 21.662 ( 11.741 -4.834 0.000) 12.697 22.256 ( -14.398 -7.449 0.000) 16.210 23.862 ( -0.602 0.600 0.000) 0.850 25.178 ( 0.363 0.017 0.000) 0.364 ======================= Grid point 19 (14/155) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -0.947 3.173 0.000) 3.311 1.161 ( -1.030 18.794 0.000) 18.823 1.734 ( 3.340 11.570 0.000) 12.042 2.007 ( -0.377 -4.584 0.000) 4.599 2.320 ( 0.174 2.513 0.000) 2.519 2.391 ( 0.371 1.669 0.000) 1.709 2.476 ( -2.703 1.793 0.000) 3.243 2.770 ( 0.687 7.386 0.000) 7.418 3.040 ( 2.127 4.662 0.000) 5.124 3.090 ( -3.451 -0.058 0.000) 3.451 3.367 ( -0.685 -3.709 0.000) 3.772 3.551 ( 1.204 -3.666 0.000) 3.858 3.774 ( 2.172 -6.675 0.000) 7.019 3.909 ( 2.359 4.835 0.000) 5.380 4.010 ( 4.855 -5.315 0.000) 7.199 4.364 ( -0.423 -5.464 0.000) 5.480 4.407 ( -0.598 -9.419 0.000) 9.438 4.895 ( -0.258 4.945 0.000) 4.951 4.992 ( -4.780 2.091 0.000) 5.217 5.504 ( -0.918 -16.162 0.000) 16.188 6.434 ( -4.874 -2.525 0.000) 5.489 7.084 ( 7.538 -1.241 0.000) 7.639 7.220 ( -4.611 8.467 0.000) 9.641 7.337 ( -4.966 8.820 0.000) 10.122 8.088 ( 2.923 2.124 0.000) 3.614 8.152 ( -4.253 -3.124 0.000) 5.277 8.804 ( 4.810 9.788 0.000) 10.906 8.880 ( -3.539 13.058 0.000) 13.529 9.418 ( 1.234 -0.687 0.000) 1.412 9.521 ( 1.242 -1.511 0.000) 1.956 10.011 ( -0.051 10.021 0.000) 10.022 10.352 ( 3.006 -3.998 0.000) 5.002 11.091 ( 0.793 11.174 0.000) 11.203 12.001 ( -1.691 -9.931 0.000) 10.073 12.241 ( -0.108 27.276 0.000) 27.276 13.162 ( 0.933 -2.670 0.000) 2.829 13.422 ( -0.226 0.803 0.000) 0.834 13.820 ( 10.380 -3.036 0.000) 10.814 14.073 ( -5.827 -16.510 0.000) 17.508 15.677 ( -0.053 3.702 0.000) 3.702 16.007 ( 1.174 -0.890 0.000) 1.473 16.033 ( -2.460 -2.310 0.000) 3.375 19.796 ( 0.081 -0.042 0.000) 0.091 20.787 ( 0.398 -3.601 0.000) 3.623 21.887 ( 31.351 -5.816 0.000) 31.886 22.330 ( -34.555 -16.333 0.000) 38.220 23.835 ( -0.472 2.008 0.000) 2.062 25.167 ( 0.487 1.777 0.000) 1.842 ======================= Grid point 20 (15/155) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -0.000 14.938 0.000) 14.938 0.799 ( -0.000 20.929 0.000) 20.929 1.354 ( -0.000 29.712 0.000) 29.712 2.023 ( -0.000 2.498 0.000) 2.498 2.278 ( -0.000 2.815 0.000) 2.815 2.399 ( 0.000 -1.872 0.000) 1.872 2.529 ( 0.000 -7.431 0.000) 7.431 2.660 ( -0.000 4.016 0.000) 4.016 2.919 ( -0.000 4.663 0.000) 4.663 3.116 ( -0.000 0.293 0.000) 0.293 3.385 ( 0.000 -0.866 0.000) 0.866 3.632 ( -0.000 0.649 0.000) 0.649 3.871 ( 0.000 -1.729 0.000) 1.729 3.889 ( 0.000 -4.649 0.000) 4.649 4.119 ( 0.000 -5.921 0.000) 5.921 4.450 ( 0.000 -3.888 0.000) 3.888 4.563 ( 0.000 -7.865 0.000) 7.865 4.808 ( -0.000 4.893 0.000) 4.893 4.908 ( -0.000 4.913 0.000) 4.913 5.822 ( 0.000 -18.555 0.000) 18.555 6.554 ( 0.000 -12.028 0.000) 12.028 6.850 ( -0.000 19.972 0.000) 19.972 7.184 ( -0.000 10.329 0.000) 10.329 7.251 ( 0.000 -8.951 0.000) 8.951 8.069 ( -0.000 2.176 0.000) 2.176 8.243 ( 0.000 -6.768 0.000) 6.768 8.600 ( -0.000 9.257 0.000) 9.257 8.677 ( -0.000 11.049 0.000) 11.049 9.417 ( -0.000 1.106 0.000) 1.106 9.519 ( -0.000 1.602 0.000) 1.602 9.830 ( -0.000 9.077 0.000) 9.077 10.435 ( 0.000 -2.950 0.000) 2.950 10.924 ( -0.000 7.555 0.000) 7.555 11.790 ( -0.000 22.634 0.000) 22.634 12.135 ( 0.000 -5.841 0.000) 5.841 13.256 ( 0.000 -6.929 0.000) 6.929 13.398 ( -0.000 1.410 0.000) 1.410 13.909 ( 0.000 -0.903 0.000) 0.903 14.275 ( 0.000 -9.978 0.000) 9.978 15.604 ( -0.000 3.899 0.000) 3.899 16.020 ( -0.000 0.083 0.000) 0.083 16.066 ( 0.000 -2.422 0.000) 2.422 19.795 ( -0.000 0.232 0.000) 0.232 20.860 ( 0.000 -4.022 0.000) 4.022 22.230 ( 0.000 -5.628 0.000) 5.628 22.412 ( 0.000 -19.856 0.000) 19.856 23.785 ( -0.000 3.268 0.000) 3.268 25.114 ( -0.000 4.324 0.000) 4.324 ======================= Grid point 23 (16/155) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 19.448 0.000 0.000) 19.448 0.675 ( 23.939 0.000 0.000) 23.939 0.919 ( 33.780 0.000 0.000) 33.780 1.877 ( -1.020 -0.000 0.000) 1.020 2.172 ( -2.276 -0.000 0.000) 2.276 2.193 ( -0.011 -0.000 0.000) 0.011 2.489 ( 5.076 0.000 0.000) 5.076 2.688 ( -1.341 -0.000 0.000) 1.341 2.989 ( 1.132 0.000 0.000) 1.132 3.009 ( -3.171 -0.000 0.000) 3.171 3.408 ( -3.241 -0.000 0.000) 3.241 3.474 ( -8.726 -0.000 0.000) 8.726 3.776 ( -6.566 -0.000 0.000) 6.566 3.869 ( -0.723 -0.000 0.000) 0.723 4.448 ( 7.435 0.000 0.000) 7.435 4.606 ( -0.945 -0.000 0.000) 0.945 4.756 ( 0.776 0.000 0.000) 0.776 4.934 ( 9.487 0.000 0.000) 9.487 5.326 ( 0.277 0.000 0.000) 0.277 6.191 ( -16.317 -0.000 0.000) 16.317 6.292 ( 8.944 0.000 0.000) 8.944 6.745 ( 0.495 0.000 0.000) 0.495 7.166 ( -1.363 -0.000 0.000) 1.363 7.294 ( -14.800 -0.000 0.000) 14.800 7.867 ( -7.479 -0.000 0.000) 7.479 8.043 ( 0.966 0.000 0.000) 0.966 8.169 ( -8.140 -0.000 0.000) 8.140 8.608 ( 13.871 0.000 0.000) 13.871 8.896 ( 13.624 0.000 0.000) 13.624 9.387 ( -6.181 -0.000 0.000) 6.181 9.402 ( -0.386 -0.000 0.000) 0.386 9.729 ( 3.483 0.000 0.000) 3.483 10.768 ( -3.394 -0.000 0.000) 3.394 11.305 ( -0.857 -0.000 0.000) 0.857 12.711 ( 1.645 0.000 0.000) 1.645 12.895 ( -1.134 -0.000 0.000) 1.134 13.381 ( 0.670 0.000 0.000) 0.670 13.475 ( 0.816 0.000 0.000) 0.816 15.304 ( -0.440 -0.000 0.000) 0.440 15.851 ( -7.136 -0.000 0.000) 7.136 16.194 ( 6.210 0.000 0.000) 6.210 16.640 ( 0.022 0.000 0.000) 0.022 19.785 ( -0.040 -0.000 0.000) 0.040 20.074 ( -0.904 -0.000 0.000) 0.904 20.959 ( 0.868 0.000 0.000) 0.868 23.678 ( -0.098 -0.000 0.000) 0.098 24.834 ( -0.009 -0.000 0.000) 0.009 25.324 ( -0.157 -0.000 0.000) 0.157 ======================= Grid point 24 (17/155) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 13.893 -8.800 0.000) 16.445 0.824 ( 22.053 -2.016 0.000) 22.145 1.268 ( 18.077 -12.860 0.000) 22.185 1.934 ( -0.029 -4.585 0.000) 4.586 2.172 ( -3.808 -4.031 0.000) 5.545 2.320 ( -2.987 -8.275 0.000) 8.798 2.521 ( 5.208 -0.332 0.000) 5.219 2.638 ( -1.611 2.529 0.000) 2.998 2.987 ( 1.989 -0.176 0.000) 1.997 3.024 ( -2.116 -1.643 0.000) 2.679 3.367 ( -10.590 0.331 0.000) 10.595 3.438 ( -7.797 -2.327 0.000) 8.137 3.681 ( 2.463 4.650 0.000) 5.262 3.833 ( -6.259 2.216 0.000) 6.640 4.454 ( 7.464 7.738 0.000) 10.751 4.648 ( -0.144 -3.575 0.000) 3.578 4.716 ( 0.717 4.878 0.000) 4.931 4.865 ( 9.310 24.583 0.000) 26.287 5.084 ( 10.352 -3.832 0.000) 11.038 6.089 ( -7.266 8.017 0.000) 10.820 6.226 ( -7.105 1.112 0.000) 7.191 6.971 ( 3.392 -15.884 0.000) 16.242 7.136 ( 1.919 -5.189 0.000) 5.533 7.466 ( -0.134 0.593 0.000) 0.608 7.794 ( -10.370 -3.106 0.000) 10.826 8.154 ( -2.492 -7.350 0.000) 7.761 8.648 ( -3.747 -11.521 0.000) 12.115 8.722 ( -16.260 -42.749 0.000) 45.737 8.916 ( 11.855 3.907 0.000) 12.482 9.354 ( -4.358 -0.368 0.000) 4.373 9.447 ( -2.795 -4.964 0.000) 5.697 9.785 ( 3.115 -3.946 0.000) 5.027 10.750 ( -4.005 -1.004 0.000) 4.129 11.417 ( -0.971 -12.858 0.000) 12.894 12.608 ( 7.760 10.173 0.000) 12.795 12.966 ( -9.145 -6.016 0.000) 10.946 13.399 ( 0.838 0.974 0.000) 1.285 13.441 ( 0.602 1.172 0.000) 1.317 15.165 ( 2.563 17.767 0.000) 17.950 15.777 ( -2.126 3.601 0.000) 4.182 16.144 ( 3.700 16.906 0.000) 17.306 16.295 ( 8.817 11.115 0.000) 14.187 19.786 ( -0.119 -0.194 0.000) 0.227 20.511 ( -14.260 -33.426 0.000) 36.341 20.952 ( 0.234 0.704 0.000) 0.742 23.693 ( -0.032 -1.315 0.000) 1.315 24.739 ( 15.942 30.050 0.000) 34.017 25.002 ( -0.680 8.709 0.000) 8.736 ======================= Grid point 25 (18/155) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 13.857 -2.918 0.000) 14.161 1.015 ( 7.590 -10.875 0.000) 13.262 1.497 ( 0.477 -5.625 0.000) 5.646 1.994 ( -1.641 -2.447 0.000) 2.946 2.229 ( -2.172 -3.046 0.000) 3.742 2.406 ( -0.524 -2.791 0.000) 2.839 2.558 ( 3.983 -2.818 0.000) 4.879 2.666 ( 2.014 -3.287 0.000) 3.855 2.996 ( 0.759 -0.683 0.000) 1.021 3.067 ( -3.136 -4.421 0.000) 5.421 3.275 ( -9.522 0.545 0.000) 9.537 3.440 ( -9.256 -3.145 0.000) 9.776 3.681 ( 7.530 0.179 0.000) 7.532 3.734 ( -4.694 4.657 0.000) 6.612 4.216 ( 1.924 17.559 0.000) 17.664 4.578 ( 1.510 8.376 0.000) 8.511 4.607 ( 6.675 7.845 0.000) 10.301 4.827 ( 4.108 -6.510 0.000) 7.698 5.190 ( 3.240 -0.754 0.000) 3.327 5.828 ( 1.172 15.347 0.000) 15.391 6.273 ( -12.208 -10.597 0.000) 16.166 7.197 ( 6.748 -1.196 0.000) 6.853 7.272 ( 4.936 -3.729 0.000) 6.186 7.447 ( 5.975 -5.151 0.000) 7.889 7.867 ( -8.821 -11.130 0.000) 14.202 8.286 ( -1.993 -11.289 0.000) 11.463 8.572 ( 8.181 10.647 0.000) 13.427 8.953 ( 6.163 0.376 0.000) 6.175 9.315 ( -3.687 -3.384 0.000) 5.005 9.367 ( -9.384 -12.447 0.000) 15.588 9.614 ( -17.880 -27.596 0.000) 32.882 9.907 ( 0.952 -7.897 0.000) 7.954 10.788 ( -3.904 -7.664 0.000) 8.601 11.743 ( -0.882 -23.742 0.000) 23.758 12.445 ( 8.523 14.465 0.000) 16.789 12.980 ( -10.636 -3.540 0.000) 11.210 13.348 ( -0.524 1.324 0.000) 1.424 13.479 ( 0.211 -2.055 0.000) 2.066 14.737 ( 5.263 29.111 0.000) 29.583 15.732 ( 3.359 2.089 0.000) 3.956 15.930 ( -3.599 4.313 0.000) 5.617 16.261 ( 5.617 3.335 0.000) 6.532 19.788 ( -0.164 -0.192 0.000) 0.253 20.814 ( -1.810 -4.223 0.000) 4.595 21.008 ( -9.421 -12.826 0.000) 15.915 23.693 ( 4.010 5.367 0.000) 6.699 24.102 ( 14.348 40.243 0.000) 42.724 25.042 ( -2.247 -5.997 0.000) 6.404 ======================= Grid point 26 (19/155) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 7.921 -4.555 0.000) 9.137 1.255 ( 2.180 -11.904 0.000) 12.102 1.494 ( -6.374 3.759 0.000) 7.400 1.999 ( -0.787 1.154 0.000) 1.397 2.275 ( -0.549 -4.388 0.000) 4.422 2.425 ( 0.610 -0.028 0.000) 0.611 2.649 ( 1.136 -2.003 0.000) 2.303 2.708 ( 1.413 -0.913 0.000) 1.682 3.063 ( -9.244 0.243 0.000) 9.248 3.075 ( 0.759 -7.361 0.000) 7.400 3.307 ( 3.543 -5.760 0.000) 6.762 3.448 ( -8.169 -5.024 0.000) 9.591 3.600 ( -3.935 7.223 0.000) 8.225 3.715 ( 4.796 1.153 0.000) 4.932 3.982 ( 0.684 8.686 0.000) 8.713 4.415 ( 0.256 10.084 0.000) 10.087 4.524 ( 6.159 6.659 0.000) 9.070 4.964 ( 2.695 -4.865 0.000) 5.561 5.156 ( -0.773 3.533 0.000) 3.616 5.589 ( 1.686 12.316 0.000) 12.431 6.415 ( -6.872 -11.253 0.000) 13.186 7.136 ( 7.478 8.334 0.000) 11.197 7.306 ( 0.784 1.270 0.000) 1.493 7.662 ( 4.524 -7.608 0.000) 8.851 8.092 ( 0.544 -17.907 0.000) 17.916 8.413 ( 11.828 10.228 0.000) 15.637 8.588 ( -4.419 -20.021 0.000) 20.503 8.915 ( -3.620 5.381 0.000) 6.485 9.291 ( -3.341 0.390 0.000) 3.364 9.413 ( -1.675 -0.316 0.000) 1.704 9.946 ( -9.113 -15.120 0.000) 17.654 10.058 ( -2.089 -8.401 0.000) 8.656 11.014 ( -1.951 -18.382 0.000) 18.486 12.181 ( 4.905 12.775 0.000) 13.685 12.244 ( -0.118 -24.836 0.000) 24.836 13.003 ( -5.605 -5.784 0.000) 8.054 13.372 ( -2.993 -4.896 0.000) 5.739 13.479 ( -0.221 2.405 0.000) 2.415 14.255 ( 2.678 27.190 0.000) 27.322 15.720 ( 2.340 1.351 0.000) 2.702 15.895 ( -3.758 -1.743 0.000) 4.143 16.218 ( 4.104 4.904 0.000) 6.394 19.790 ( -0.112 -0.113 0.000) 0.159 20.800 ( 2.403 3.120 0.000) 3.938 21.188 ( -7.852 -11.909 0.000) 14.264 23.283 ( 13.478 39.887 0.000) 42.103 23.825 ( -2.888 0.049 0.000) 2.889 25.120 ( -1.116 -3.526 0.000) 3.698 ======================= Grid point 27 (20/155) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -4.277 2.550 0.000) 4.979 1.311 ( 2.562 -3.316 0.000) 4.191 1.472 ( -0.342 -11.602 0.000) 11.607 1.933 ( 1.378 6.854 0.000) 6.991 2.380 ( 0.608 -5.840 0.000) 5.871 2.452 ( 1.522 -3.303 0.000) 3.636 2.621 ( -5.017 1.079 0.000) 5.132 2.734 ( 2.303 0.847 0.000) 2.454 2.966 ( -5.346 2.580 0.000) 5.936 3.263 ( 2.730 -9.566 0.000) 9.948 3.405 ( -2.371 7.789 0.000) 8.141 3.471 ( 5.431 -5.795 0.000) 7.943 3.536 ( -3.192 -5.643 0.000) 6.483 3.726 ( -1.143 -2.104 0.000) 2.395 3.891 ( -2.372 0.744 0.000) 2.486 4.232 ( 0.851 10.121 0.000) 10.156 4.424 ( 1.268 7.385 0.000) 7.493 4.993 ( 1.375 2.040 0.000) 2.461 5.136 ( 2.209 -0.497 0.000) 2.264 5.397 ( 0.194 9.924 0.000) 9.926 6.560 ( -2.795 -7.245 0.000) 7.765 7.033 ( 4.700 7.497 0.000) 8.848 7.264 ( -3.331 1.450 0.000) 3.633 7.736 ( 0.656 -0.212 0.000) 0.690 8.296 ( 9.773 7.091 0.000) 12.075 8.460 ( 8.330 -11.501 0.000) 14.200 8.735 ( -9.556 6.202 0.000) 11.392 8.936 ( -4.266 -19.297 0.000) 19.763 9.279 ( -1.903 -1.337 0.000) 2.326 9.404 ( 0.051 0.806 0.000) 0.808 10.096 ( -2.979 -7.425 0.000) 8.000 10.173 ( -0.423 -5.267 0.000) 5.284 11.332 ( 0.531 -15.826 0.000) 15.835 11.868 ( 1.661 18.754 0.000) 18.827 12.795 ( 0.137 -30.335 0.000) 30.336 13.130 ( -0.178 -9.994 0.000) 9.996 13.390 ( -0.884 6.506 0.000) 6.566 13.468 ( -3.016 -7.380 0.000) 7.973 13.781 ( 0.202 26.972 0.000) 26.973 15.720 ( 0.652 -0.280 0.000) 0.710 15.915 ( -1.649 -2.037 0.000) 2.620 16.143 ( 2.416 5.509 0.000) 6.016 19.792 ( -0.041 -0.089 0.000) 0.098 20.761 ( 1.965 2.631 0.000) 3.284 21.345 ( -3.965 -10.223 0.000) 10.965 22.699 ( 5.802 29.996 0.000) 30.552 23.835 ( -1.744 -1.793 0.000) 2.501 25.157 ( -0.388 -1.315 0.000) 1.371 ======================= Grid point 28 (21/155) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -4.743 9.440 0.000) 10.564 1.580 ( 3.502 -11.869 0.000) 12.375 1.676 ( -0.361 -11.374 0.000) 11.380 1.768 ( 1.080 11.055 0.000) 11.107 2.427 ( 0.875 1.680 0.000) 1.894 2.537 ( 2.939 -1.657 0.000) 3.374 2.591 ( -4.186 0.210 0.000) 4.192 2.725 ( -0.045 -2.081 0.000) 2.081 2.967 ( -1.348 -5.949 0.000) 6.100 3.210 ( -0.819 9.787 0.000) 9.821 3.434 ( 1.292 5.697 0.000) 5.842 3.476 ( 0.565 -8.933 0.000) 8.951 3.699 ( -0.652 5.154 0.000) 5.195 3.746 ( 3.274 -12.256 0.000) 12.686 3.970 ( -2.929 -7.859 0.000) 8.387 4.098 ( 0.273 2.423 0.000) 2.438 4.300 ( -1.240 5.130 0.000) 5.278 4.979 ( 3.695 0.849 0.000) 3.791 5.128 ( -2.123 2.620 0.000) 3.373 5.249 ( -0.050 5.209 0.000) 5.210 6.584 ( -1.205 4.205 0.000) 4.374 6.962 ( -0.026 0.128 0.000) 0.131 7.246 ( -1.465 -1.290 0.000) 1.952 7.699 ( 0.077 4.677 0.000) 4.677 8.226 ( 5.554 6.024 0.000) 8.194 8.386 ( -3.856 12.731 0.000) 13.302 8.793 ( -0.265 -7.864 0.000) 7.868 9.209 ( -0.198 -11.219 0.000) 11.220 9.322 ( 0.077 -3.767 0.000) 3.768 9.372 ( 0.152 2.444 0.000) 2.449 10.183 ( -0.139 -2.545 0.000) 2.548 10.239 ( 0.158 -2.441 0.000) 2.446 11.559 ( 0.029 15.802 0.000) 15.802 11.582 ( 0.416 -12.305 0.000) 12.312 13.247 ( 0.170 10.694 0.000) 10.695 13.266 ( 0.512 -10.945 0.000) 10.957 13.287 ( -0.358 17.862 0.000) 17.865 13.355 ( 0.085 -16.489 0.000) 16.489 13.596 ( -0.877 -8.186 0.000) 8.233 15.733 ( 0.145 -0.659 0.000) 0.675 15.946 ( -0.446 -2.144 0.000) 2.190 16.060 ( 0.722 4.456 0.000) 4.514 19.793 ( -0.001 -0.075 0.000) 0.075 20.736 ( 0.863 1.014 0.000) 1.331 21.522 ( -0.331 -11.437 0.000) 11.442 22.310 ( 0.143 15.344 0.000) 15.345 23.854 ( -0.618 -0.977 0.000) 1.156 25.172 ( -0.016 -0.652 0.000) 0.652 ======================= Grid point 29 (22/155) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -0.000 0.295 0.000) 0.295 1.478 ( -0.000 16.226 0.000) 16.226 1.797 ( 0.000 -4.753 0.000) 4.753 1.870 ( 0.000 -9.849 0.000) 9.849 2.371 ( -0.000 3.682 0.000) 3.682 2.486 ( -0.000 6.502 0.000) 6.502 2.532 ( -0.000 4.044 0.000) 4.044 2.831 ( 0.000 -4.883 0.000) 4.883 3.047 ( -0.000 5.682 0.000) 5.682 3.111 ( 0.000 -6.267 0.000) 6.267 3.320 ( -0.000 3.918 0.000) 3.918 3.580 ( -0.000 5.876 0.000) 5.876 3.647 ( 0.000 -8.445 0.000) 8.445 3.941 ( 0.000 -6.775 0.000) 6.775 3.972 ( -0.000 2.357 0.000) 2.357 4.222 ( 0.000 -9.719 0.000) 9.719 4.274 ( 0.000 -3.778 0.000) 3.778 4.967 ( -0.000 3.186 0.000) 3.186 5.040 ( -0.000 4.453 0.000) 4.453 5.268 ( 0.000 -8.081 0.000) 8.081 6.460 ( -0.000 6.190 0.000) 6.190 7.018 ( 0.000 -4.787 0.000) 4.787 7.271 ( 0.000 -1.027 0.000) 1.027 7.552 ( -0.000 12.091 0.000) 12.091 8.150 ( -0.000 3.923 0.000) 3.923 8.176 ( -0.000 7.516 0.000) 7.516 8.865 ( 0.000 -0.629 0.000) 0.629 9.161 ( -0.000 13.333 0.000) 13.333 9.388 ( 0.000 -3.031 0.000) 3.031 9.450 ( 0.000 -6.965 0.000) 6.965 10.159 ( -0.000 5.380 0.000) 5.380 10.286 ( 0.000 -3.328 0.000) 3.328 11.305 ( -0.000 12.670 0.000) 12.670 11.799 ( 0.000 -11.806 0.000) 11.806 12.751 ( -0.000 29.153 0.000) 29.153 13.166 ( -0.000 2.908 0.000) 2.908 13.406 ( 0.000 -3.101 0.000) 3.101 13.735 ( 0.000 -20.076 0.000) 20.076 13.742 ( 0.000 -7.651 0.000) 7.651 15.729 ( -0.000 1.585 0.000) 1.585 15.982 ( 0.000 -2.002 0.000) 2.002 16.011 ( -0.000 0.948 0.000) 0.948 19.795 ( 0.000 -0.114 0.000) 0.114 20.741 ( 0.000 -1.450 0.000) 1.450 21.763 ( 0.000 -15.068 0.000) 15.068 22.138 ( -0.000 3.805 0.000) 3.805 23.857 ( -0.000 0.537 0.000) 0.537 25.180 ( 0.000 -0.148 0.000) 0.148 ======================= Grid point 34 (23/155) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 14.894 0.000 0.000) 14.894 0.945 ( 17.913 0.000 0.000) 17.913 1.318 ( 28.350 0.000 0.000) 28.350 1.877 ( 1.570 0.000 0.000) 1.570 2.146 ( -1.684 -0.000 0.000) 1.684 2.186 ( -1.363 -0.000 0.000) 1.363 2.559 ( 5.913 0.000 0.000) 5.913 2.655 ( -3.514 -0.000 0.000) 3.514 2.965 ( -3.523 -0.000 0.000) 3.523 3.015 ( 2.725 0.000 0.000) 2.725 3.305 ( -16.579 -0.000 0.000) 16.579 3.354 ( -5.443 -0.000 0.000) 5.443 3.733 ( -0.894 -0.000 0.000) 0.894 3.816 ( -5.258 -0.000 0.000) 5.258 4.603 ( 0.349 0.000 0.000) 0.349 4.620 ( 16.548 0.000 0.000) 16.548 4.757 ( -0.235 -0.000 0.000) 0.235 5.050 ( 8.597 0.000 0.000) 8.597 5.328 ( 0.085 0.000 0.000) 0.085 5.972 ( -17.143 -0.000 0.000) 17.143 6.400 ( 7.321 0.000 0.000) 7.321 6.752 ( 0.573 0.000 0.000) 0.573 7.107 ( -13.630 -0.000 0.000) 13.630 7.149 ( -1.239 -0.000 0.000) 1.239 7.782 ( -5.930 -0.000 0.000) 5.930 8.055 ( -9.044 -0.000 0.000) 9.044 8.057 ( 1.050 0.000 0.000) 1.050 8.778 ( 12.711 0.000 0.000) 12.711 9.070 ( 13.013 0.000 0.000) 13.013 9.301 ( -7.284 -0.000 0.000) 7.284 9.397 ( -0.294 -0.000 0.000) 0.294 9.770 ( 2.885 0.000 0.000) 2.885 10.717 ( -4.286 -0.000 0.000) 4.286 11.295 ( -0.624 -0.000 0.000) 0.624 12.733 ( 1.617 0.000 0.000) 1.617 12.880 ( -1.137 -0.000 0.000) 1.137 13.390 ( 0.669 0.000 0.000) 0.669 13.486 ( 0.797 0.000 0.000) 0.797 15.304 ( 0.415 0.000 0.000) 0.415 15.761 ( -6.760 -0.000 0.000) 6.760 16.266 ( 4.959 0.000 0.000) 4.959 16.641 ( 0.022 0.000 0.000) 0.022 19.784 ( -0.040 -0.000 0.000) 0.040 20.063 ( -0.834 -0.000 0.000) 0.834 20.970 ( 0.799 0.000 0.000) 0.799 23.676 ( -0.097 -0.000 0.000) 0.097 24.833 ( -0.009 -0.000 0.000) 0.009 25.322 ( -0.157 -0.000 0.000) 0.157 ======================= Grid point 35 (24/155) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 9.930 -5.625 0.000) 11.412 1.082 ( 17.186 -1.993 0.000) 17.301 1.460 ( 11.864 0.446 0.000) 11.872 1.943 ( 1.272 -2.877 0.000) 3.145 2.138 ( -1.262 -3.694 0.000) 3.904 2.288 ( -2.272 -8.063 0.000) 8.377 2.579 ( 2.425 1.968 0.000) 3.123 2.632 ( 2.119 -1.613 0.000) 2.663 2.980 ( -3.126 -3.200 0.000) 4.473 3.015 ( 0.041 1.804 0.000) 1.805 3.197 ( -12.964 -0.905 0.000) 12.995 3.353 ( -6.151 -2.358 0.000) 6.587 3.720 ( 2.840 0.549 0.000) 2.893 3.769 ( -3.214 1.978 0.000) 3.773 4.565 ( 8.281 15.686 0.000) 17.737 4.647 ( 0.036 -3.190 0.000) 3.190 4.714 ( -0.483 4.415 0.000) 4.442 4.987 ( 9.736 17.645 0.000) 20.153 5.189 ( 5.535 -0.741 0.000) 5.584 5.945 ( -11.599 -6.639 0.000) 13.365 6.199 ( -0.105 15.882 0.000) 15.882 7.014 ( 3.046 -17.391 0.000) 17.656 7.127 ( -2.611 -11.544 0.000) 11.835 7.446 ( -2.519 -10.521 0.000) 10.818 7.691 ( -5.424 1.567 0.000) 5.646 8.127 ( -1.778 -5.762 0.000) 6.030 8.378 ( -17.796 -43.796 0.000) 47.273 8.831 ( 11.110 2.216 0.000) 11.329 9.056 ( 9.019 5.614 0.000) 10.624 9.301 ( -3.576 -1.893 0.000) 4.046 9.412 ( -2.755 -2.060 0.000) 3.440 9.820 ( 2.215 -3.568 0.000) 4.200 10.698 ( -3.933 -1.136 0.000) 4.094 11.407 ( -0.612 -12.685 0.000) 12.700 12.691 ( 5.495 6.545 0.000) 8.546 12.875 ( -5.660 -1.010 0.000) 5.750 13.410 ( 0.733 0.990 0.000) 1.232 13.450 ( 0.599 1.393 0.000) 1.516 15.189 ( 1.458 14.920 0.000) 14.991 15.734 ( -3.831 -1.330 0.000) 4.055 16.189 ( 3.013 18.421 0.000) 18.666 16.378 ( 4.433 10.817 0.000) 11.690 19.784 ( -0.071 -0.126 0.000) 0.145 20.394 ( -5.446 -28.519 0.000) 29.035 20.956 ( 0.346 1.809 0.000) 1.842 23.692 ( -0.108 -1.581 0.000) 1.585 24.859 ( 4.693 6.716 0.000) 8.193 25.001 ( 0.580 23.351 0.000) 23.358 ======================= Grid point 36 (25/155) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 4.338 -8.816 0.000) 9.825 1.180 ( 15.295 3.679 0.000) 15.731 1.467 ( -5.247 -0.636 0.000) 5.285 1.974 ( -1.323 -1.654 0.000) 2.118 2.207 ( -1.159 -3.717 0.000) 3.893 2.405 ( 0.349 -3.818 0.000) 3.834 2.610 ( 3.889 -4.028 0.000) 5.599 2.684 ( 0.143 -1.557 0.000) 1.563 2.974 ( -3.588 -0.698 0.000) 3.655 3.006 ( -4.622 -2.365 0.000) 5.192 3.218 ( -0.579 -5.386 0.000) 5.417 3.340 ( -6.021 -1.194 0.000) 6.138 3.697 ( -1.282 4.709 0.000) 4.880 3.759 ( 4.284 -0.904 0.000) 4.379 4.244 ( 2.092 19.083 0.000) 19.198 4.578 ( -0.081 8.087 0.000) 8.088 4.672 ( 2.166 3.518 0.000) 4.131 4.920 ( 10.117 -0.552 0.000) 10.132 5.183 ( -4.249 1.988 0.000) 4.691 5.849 ( 2.095 14.940 0.000) 15.086 6.140 ( -8.134 -12.710 0.000) 15.090 7.264 ( 4.049 -3.504 0.000) 5.355 7.318 ( 1.926 -3.856 0.000) 4.310 7.527 ( 6.890 -7.483 0.000) 10.171 7.747 ( -9.693 -13.749 0.000) 16.822 8.259 ( -1.807 -11.969 0.000) 12.105 8.669 ( 5.506 7.225 0.000) 9.084 9.012 ( 3.080 5.649 0.000) 6.434 9.248 ( -5.167 -35.634 0.000) 36.007 9.290 ( -1.946 0.851 0.000) 2.124 9.449 ( -9.098 -10.559 0.000) 13.938 9.920 ( 0.820 -6.347 0.000) 6.400 10.745 ( -2.577 -8.124 0.000) 8.523 11.735 ( -0.418 -23.842 0.000) 23.846 12.537 ( 5.606 15.164 0.000) 16.167 12.872 ( -6.250 -3.829 0.000) 7.330 13.346 ( 0.098 2.668 0.000) 2.669 13.484 ( 0.434 -1.716 0.000) 1.770 14.786 ( 2.602 28.656 0.000) 28.774 15.761 ( 1.200 -1.785 0.000) 2.151 15.896 ( -1.716 9.195 0.000) 9.353 16.317 ( 3.013 3.547 0.000) 4.654 19.787 ( -0.085 -0.175 0.000) 0.195 20.800 ( -0.317 -14.905 0.000) 14.909 20.929 ( -3.819 -2.706 0.000) 4.680 23.722 ( 1.246 -0.986 0.000) 1.589 24.230 ( 6.084 45.934 0.000) 46.335 25.020 ( -1.196 -6.516 0.000) 6.625 ======================= Grid point 37 (26/155) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 6.010 -0.980 0.000) 6.089 1.275 ( 0.771 -10.241 0.000) 10.270 1.418 ( -4.672 4.319 0.000) 6.363 1.991 ( -0.323 -0.276 0.000) 0.425 2.272 ( -0.052 -4.857 0.000) 4.857 2.431 ( 0.360 -0.319 0.000) 0.481 2.634 ( -1.663 2.286 0.000) 2.827 2.743 ( 2.303 -2.603 0.000) 3.476 2.977 ( -3.668 1.124 0.000) 3.837 3.073 ( -0.504 -9.728 0.000) 9.741 3.342 ( 1.727 -7.765 0.000) 7.954 3.377 ( -2.978 -7.246 0.000) 7.834 3.569 ( -0.956 8.573 0.000) 8.626 3.757 ( 1.580 3.588 0.000) 3.920 3.989 ( 0.374 9.834 0.000) 9.842 4.419 ( 0.327 9.677 0.000) 9.683 4.584 ( 2.592 7.962 0.000) 8.373 4.997 ( 2.006 -1.497 0.000) 2.503 5.134 ( -1.785 -0.517 0.000) 1.858 5.603 ( 0.506 12.867 0.000) 12.877 6.350 ( -2.825 -13.040 0.000) 13.342 7.226 ( 6.264 7.698 0.000) 9.925 7.292 ( -3.092 3.843 0.000) 4.933 7.697 ( 1.177 -4.683 0.000) 4.829 8.095 ( 0.094 -25.007 0.000) 25.007 8.546 ( 1.157 -13.794 0.000) 13.843 8.552 ( 4.833 2.900 0.000) 5.636 8.857 ( -4.199 10.709 0.000) 11.503 9.261 ( -1.272 0.682 0.000) 1.444 9.405 ( 0.003 -0.608 0.000) 0.608 9.845 ( -4.862 -20.577 0.000) 21.144 10.050 ( -0.058 -7.546 0.000) 7.546 10.996 ( -0.745 -19.729 0.000) 19.743 12.226 ( 2.002 -8.404 0.000) 8.639 12.243 ( -0.158 -2.416 0.000) 2.421 12.951 ( -2.183 -8.158 0.000) 8.445 13.349 ( -0.832 -3.102 0.000) 3.212 13.481 ( 0.135 2.649 0.000) 2.653 14.278 ( 0.976 28.278 0.000) 28.295 15.749 ( 1.682 3.133 0.000) 3.555 15.854 ( -2.190 -3.357 0.000) 4.009 16.254 ( 1.494 5.065 0.000) 5.280 19.789 ( -0.040 -0.133 0.000) 0.139 20.830 ( 1.670 3.588 0.000) 3.958 21.117 ( -3.100 -13.238 0.000) 13.596 23.408 ( 5.547 43.311 0.000) 43.665 23.786 ( -2.375 -1.922 0.000) 3.055 25.110 ( -0.404 -3.815 0.000) 3.836 ======================= Grid point 38 (27/155) ======================= q-point: ( 0.70 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -0.000 12.603 0.000) 12.603 1.344 ( 0.000 -12.633 0.000) 12.633 1.469 ( 0.000 -11.173 0.000) 11.173 1.942 ( -0.000 6.423 0.000) 6.423 2.385 ( 0.000 -6.519 0.000) 6.519 2.470 ( 0.000 -4.374 0.000) 4.374 2.578 ( -0.000 2.250 0.000) 2.250 2.751 ( -0.000 2.028 0.000) 2.028 2.929 ( -0.000 1.394 0.000) 1.394 3.278 ( 0.000 -11.273 0.000) 11.273 3.394 ( -0.000 9.768 0.000) 9.768 3.501 ( 0.000 -2.705 0.000) 2.705 3.524 ( 0.000 -11.943 0.000) 11.943 3.715 ( 0.000 -1.358 0.000) 1.358 3.874 ( -0.000 2.722 0.000) 2.722 4.239 ( -0.000 10.125 0.000) 10.125 4.431 ( -0.000 8.960 0.000) 8.960 5.002 ( -0.000 0.694 0.000) 0.694 5.153 ( 0.000 -0.223 0.000) 0.223 5.396 ( -0.000 10.237 0.000) 10.237 6.540 ( 0.000 -8.120 0.000) 8.120 7.073 ( -0.000 10.344 0.000) 10.344 7.232 ( -0.000 0.811 0.000) 0.811 7.739 ( 0.000 -0.110 0.000) 0.110 8.365 ( -0.000 4.077 0.000) 4.077 8.571 ( 0.000 -14.472 0.000) 14.472 8.613 ( -0.000 13.235 0.000) 13.235 8.908 ( 0.000 -19.642 0.000) 19.642 9.267 ( 0.000 -1.965 0.000) 1.965 9.405 ( -0.000 0.604 0.000) 0.604 10.075 ( 0.000 -8.886 0.000) 8.886 10.171 ( 0.000 -5.425 0.000) 5.425 11.336 ( 0.000 -16.307 0.000) 16.307 11.879 ( -0.000 19.506 0.000) 19.506 12.795 ( 0.000 -30.463 0.000) 30.463 13.129 ( 0.000 -11.584 0.000) 11.584 13.382 ( -0.000 5.663 0.000) 5.663 13.451 ( 0.000 -6.078 0.000) 6.078 13.783 ( -0.000 27.583 0.000) 27.583 15.725 ( -0.000 0.143 0.000) 0.143 15.904 ( 0.000 -2.549 0.000) 2.549 16.159 ( -0.000 5.797 0.000) 5.797 19.791 ( 0.000 -0.103 0.000) 0.103 20.775 ( -0.000 2.847 0.000) 2.847 21.318 ( 0.000 -10.872 0.000) 10.872 22.737 ( -0.000 31.454 0.000) 31.454 23.822 ( 0.000 -2.180 0.000) 2.180 25.154 ( 0.000 -1.452 0.000) 1.452 ======================= Grid point 46 (28/155) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 8.237 0.000 0.000) 8.237 1.117 ( 8.874 0.000 0.000) 8.874 1.617 ( 17.421 0.000 0.000) 17.421 1.924 ( 5.551 0.000 0.000) 5.551 2.134 ( -0.061 -0.000 0.000) 0.061 2.152 ( -4.055 -0.000 0.000) 4.055 2.610 ( -3.085 -0.000 0.000) 3.085 2.636 ( 5.817 0.000 0.000) 5.817 2.924 ( -2.703 -0.000 0.000) 2.703 3.051 ( 2.594 0.000 0.000) 2.594 3.092 ( -15.220 -0.000 0.000) 15.220 3.278 ( -5.702 -0.000 0.000) 5.702 3.733 ( 0.385 0.000 0.000) 0.385 3.769 ( -1.954 -0.000 0.000) 1.954 4.611 ( 0.769 0.000 0.000) 0.769 4.738 ( 0.020 0.000 0.000) 0.020 4.826 ( 11.594 0.000 0.000) 11.594 5.148 ( 6.286 0.000 0.000) 6.286 5.328 ( -0.107 -0.000 0.000) 0.107 5.779 ( -12.148 -0.000 0.000) 12.148 6.468 ( 3.259 0.000 0.000) 3.259 6.758 ( 0.398 0.000 0.000) 0.398 6.969 ( -7.453 -0.000 0.000) 7.453 7.136 ( -0.747 -0.000 0.000) 0.747 7.718 ( -3.805 -0.000 0.000) 3.805 7.956 ( -5.967 -0.000 0.000) 5.967 8.068 ( 0.672 0.000 0.000) 0.672 8.929 ( 10.933 0.000 0.000) 10.933 9.202 ( -8.135 -0.000 0.000) 8.135 9.207 ( 7.853 0.000 0.000) 7.853 9.396 ( 0.043 0.000 0.000) 0.043 9.800 ( 1.650 0.000 0.000) 1.650 10.667 ( -3.226 -0.000 0.000) 3.226 11.290 ( -0.276 -0.000 0.000) 0.276 12.750 ( 0.986 0.000 0.000) 0.986 12.868 ( -0.705 -0.000 0.000) 0.705 13.397 ( 0.413 0.000 0.000) 0.413 13.494 ( 0.484 0.000 0.000) 0.484 15.313 ( 0.897 0.000 0.000) 0.897 15.687 ( -4.521 -0.000 0.000) 4.521 16.316 ( 2.757 0.000 0.000) 2.757 16.641 ( 0.014 0.000 0.000) 0.014 19.784 ( -0.025 -0.000 0.000) 0.025 20.054 ( -0.483 -0.000 0.000) 0.483 20.978 ( 0.462 0.000 0.000) 0.462 23.675 ( -0.059 -0.000 0.000) 0.059 24.833 ( -0.006 -0.000 0.000) 0.006 25.321 ( -0.098 -0.000 0.000) 0.098 ======================= Grid point 47 (29/155) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 3.627 -4.042 0.000) 5.431 1.234 ( 6.080 -6.475 0.000) 8.882 1.568 ( 4.673 11.768 0.000) 12.662 1.956 ( 0.599 0.272 0.000) 0.658 2.133 ( -0.021 -3.028 0.000) 3.028 2.268 ( -0.575 -9.897 0.000) 9.913 2.586 ( -0.053 -0.008 0.000) 0.054 2.679 ( 3.132 -0.585 0.000) 3.186 2.942 ( -2.239 -2.385 0.000) 3.271 2.968 ( -5.146 2.431 0.000) 5.692 3.112 ( -1.077 -4.740 0.000) 4.860 3.289 ( -3.061 -2.527 0.000) 3.969 3.745 ( 0.715 -0.119 0.000) 0.725 3.749 ( -0.170 0.274 0.000) 0.323 4.636 ( 2.609 17.466 0.000) 17.660 4.648 ( 0.068 -2.264 0.000) 2.265 4.712 ( 0.247 8.192 0.000) 8.196 5.103 ( 7.444 9.086 0.000) 11.746 5.212 ( -1.654 5.233 0.000) 5.488 5.841 ( -4.109 -11.795 0.000) 12.490 6.198 ( -0.156 19.465 0.000) 19.465 7.046 ( 1.985 -18.688 0.000) 18.793 7.087 ( -2.820 -15.880 0.000) 16.128 7.421 ( -1.046 -14.778 0.000) 14.815 7.650 ( -1.395 4.035 0.000) 4.269 8.111 ( -0.685 -4.419 0.000) 4.472 8.227 ( -5.963 -38.066 0.000) 38.531 8.946 ( 5.776 4.041 0.000) 7.050 9.120 ( 1.079 2.734 0.000) 2.939 9.280 ( 0.327 -1.757 0.000) 1.787 9.380 ( -1.901 0.781 0.000) 2.055 9.839 ( 0.799 -3.335 0.000) 3.429 10.660 ( -1.711 -1.336 0.000) 2.171 11.402 ( -0.198 -12.586 0.000) 12.587 12.753 ( 4.294 2.598 0.000) 5.019 12.813 ( -4.270 3.342 0.000) 5.423 13.416 ( 0.290 0.928 0.000) 0.972 13.455 ( 0.234 1.438 0.000) 1.457 15.203 ( 0.654 14.103 0.000) 14.118 15.695 ( -1.757 -3.218 0.000) 3.667 16.216 ( 1.121 18.973 0.000) 19.006 16.414 ( 1.362 9.714 0.000) 9.809 19.784 ( -0.023 -0.093 0.000) 0.096 20.353 ( -1.441 -26.628 0.000) 26.667 20.959 ( 0.131 2.239 0.000) 2.243 23.691 ( -0.050 -1.662 0.000) 1.663 24.889 ( 0.780 -4.799 0.000) 4.862 25.010 ( 0.512 31.625 0.000) 31.629 ======================= Grid point 48 (30/155) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 0.000 -7.765 0.000) 7.765 1.335 ( -0.000 12.025 0.000) 12.025 1.380 ( 0.000 -5.444 0.000) 5.444 1.964 ( 0.000 -1.413 0.000) 1.413 2.200 ( 0.000 -3.828 0.000) 3.828 2.410 ( 0.000 -3.888 0.000) 3.888 2.646 ( 0.000 -6.728 0.000) 6.728 2.670 ( -0.000 1.879 0.000) 1.879 2.958 ( 0.000 -1.502 0.000) 1.502 2.964 ( 0.000 -2.375 0.000) 2.375 3.220 ( 0.000 -6.788 0.000) 6.788 3.298 ( 0.000 -0.700 0.000) 0.700 3.691 ( -0.000 4.855 0.000) 4.855 3.786 ( 0.000 -1.279 0.000) 1.279 4.259 ( -0.000 19.764 0.000) 19.764 4.579 ( -0.000 7.965 0.000) 7.965 4.681 ( -0.000 0.873 0.000) 0.873 5.026 ( -0.000 4.029 0.000) 4.029 5.119 ( -0.000 1.477 0.000) 1.477 5.868 ( -0.000 16.499 0.000) 16.499 6.083 ( 0.000 -14.911 0.000) 14.911 7.293 ( 0.000 -4.426 0.000) 4.426 7.326 ( 0.000 -3.993 0.000) 3.993 7.614 ( 0.000 -2.888 0.000) 2.888 7.640 ( 0.000 -19.887 0.000) 19.887 8.247 ( 0.000 -12.071 0.000) 12.071 8.701 ( -0.000 1.733 0.000) 1.733 9.032 ( -0.000 8.651 0.000) 8.651 9.222 ( 0.000 -40.247 0.000) 40.247 9.282 ( 0.000 -0.478 0.000) 0.478 9.383 ( 0.000 -1.771 0.000) 1.771 9.925 ( 0.000 -5.978 0.000) 5.978 10.728 ( 0.000 -8.414 0.000) 8.414 11.733 ( 0.000 -23.877 0.000) 23.877 12.576 ( -0.000 16.043 0.000) 16.043 12.829 ( 0.000 -4.517 0.000) 4.517 13.347 ( -0.000 3.015 0.000) 3.015 13.487 ( 0.000 -1.665 0.000) 1.665 14.803 ( -0.000 28.437 0.000) 28.437 15.767 ( 0.000 -4.754 0.000) 4.754 15.886 ( -0.000 12.376 0.000) 12.376 16.336 ( -0.000 3.556 0.000) 3.556 19.786 ( 0.000 -0.169 0.000) 0.169 20.800 ( 0.000 -21.413 0.000) 21.413 20.904 ( -0.000 3.667 0.000) 3.667 23.730 ( 0.000 -2.555 0.000) 2.555 24.267 ( -0.000 47.142 0.000) 47.142 25.012 ( 0.000 -6.684 0.000) 6.684 ======================= Grid point 59 (31/155) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.732 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.588 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.070 ( 0.000 0.000 0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 6.487 ( 0.000 0.000 0.000) 0.000 6.761 ( 0.000 0.000 0.000) 0.000 6.922 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.916 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 9.029 ( 0.000 0.000 0.000) 0.000 9.120 ( 0.000 0.000 0.000) 0.000 9.259 ( 0.000 0.000 0.000) 0.000 9.397 ( -0.000 0.000 0.000) 0.000 9.810 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 11.288 ( 0.000 0.000 0.000) 0.000 12.756 ( 0.000 0.000 0.000) 0.000 12.863 ( 0.000 0.000 0.000) 0.000 13.400 ( 0.000 0.000 0.000) 0.000 13.498 ( 0.000 0.000 0.000) 0.000 15.320 ( 0.000 0.000 0.000) 0.000 15.656 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 16.641 ( 0.000 0.000 0.000) 0.000 19.784 ( 0.000 0.000 0.000) 0.000 20.051 ( 0.000 0.000 0.000) 0.000 20.981 ( 0.000 0.000 0.000) 0.000 23.675 ( 0.000 0.000 0.000) 0.000 24.833 ( 0.000 0.000 0.000) 0.000 25.320 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 107 (32/155) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.000 0.000 19.455) 19.455 0.446 ( 0.000 0.000 21.719) 21.719 0.765 ( 0.000 0.000 36.105) 36.105 1.874 ( 0.000 0.000 -2.346) 2.346 2.233 ( 0.000 0.000 2.212) 2.212 2.259 ( 0.000 0.000 6.417) 6.417 2.686 ( 0.000 0.000 -0.842) 0.842 2.776 ( 0.000 0.000 -1.871) 1.871 2.993 ( 0.000 0.000 0.767) 0.767 3.280 ( 0.000 0.000 2.945) 2.945 3.296 ( 0.000 0.000 -7.735) 7.735 3.542 ( 0.000 0.000 5.739) 5.739 3.705 ( 0.000 0.000 -3.228) 3.228 3.998 ( 0.000 0.000 -1.446) 1.446 4.011 ( 0.000 0.000 0.774) 0.774 4.403 ( 0.000 0.000 -8.736) 8.736 4.658 ( 0.000 0.000 -4.558) 4.558 4.750 ( 0.000 0.000 -1.887) 1.887 5.183 ( 0.000 0.000 -4.474) 4.474 6.124 ( 0.000 0.000 -2.399) 2.399 6.612 ( 0.000 0.000 -1.454) 1.454 6.931 ( 0.000 0.000 -0.372) 0.372 7.328 ( 0.000 0.000 6.388) 6.388 7.438 ( 0.000 0.000 -7.897) 7.897 7.948 ( 0.000 0.000 -9.288) 9.288 8.235 ( 0.000 0.000 19.137) 19.137 8.313 ( 0.000 0.000 4.391) 4.391 8.410 ( 0.000 0.000 5.745) 5.745 9.398 ( 0.000 0.000 -8.024) 8.024 9.399 ( 0.000 0.000 1.499) 1.499 9.736 ( 0.000 0.000 -1.556) 1.556 9.818 ( 0.000 0.000 14.296) 14.296 11.340 ( 0.000 0.000 3.528) 3.528 12.294 ( 0.000 0.000 6.122) 6.122 12.651 ( 0.000 0.000 -3.525) 3.525 12.704 ( 0.000 0.000 3.773) 3.773 13.318 ( 0.000 0.000 -5.168) 5.168 13.878 ( 0.000 0.000 16.149) 16.149 14.471 ( 0.000 0.000 1.704) 1.704 15.215 ( 0.000 0.000 -9.558) 9.558 15.970 ( 0.000 0.000 -3.823) 3.823 16.036 ( 0.000 0.000 -1.297) 1.297 20.125 ( 0.000 0.000 3.571) 3.571 20.972 ( 0.000 0.000 2.584) 2.584 21.889 ( 0.000 0.000 -10.664) 10.664 22.289 ( 0.000 0.000 -6.620) 6.620 24.175 ( 0.000 0.000 7.727) 7.727 24.843 ( 0.000 0.000 0.850) 0.850 ======================= Grid point 108 (33/155) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 2.532 -2.597 22.679) 22.968 0.613 ( 3.953 -13.209 13.672) 19.418 0.949 ( 8.967 -27.011 17.325) 33.319 1.911 ( -0.006 -3.727 -3.199) 4.912 2.239 ( -0.823 -0.870 0.944) 1.525 2.318 ( 0.026 -3.937 0.904) 4.040 2.661 ( 0.188 3.975 0.350) 3.994 2.733 ( -4.616 2.111 2.558) 5.684 2.920 ( 1.666 4.269 -0.756) 4.645 3.131 ( -4.523 2.669 4.464) 6.893 3.372 ( 1.948 -3.117 -5.545) 6.653 3.548 ( -1.776 -2.096 3.452) 4.412 3.773 ( -3.905 -0.456 -5.403) 6.682 3.920 ( -5.657 2.559 -1.140) 6.313 4.110 ( 12.224 1.071 -5.020) 13.258 4.406 ( -0.145 -0.751 -7.148) 7.189 4.625 ( 2.671 4.399 -3.797) 6.395 4.789 ( 0.323 -3.546 -2.565) 4.388 5.044 ( -0.329 7.583 6.117) 9.748 6.070 ( -1.180 7.610 -3.693) 8.541 6.802 ( -2.276 1.320 4.192) 4.949 6.850 ( 2.842 -5.369 1.033) 6.162 6.981 ( 1.030 6.704 9.815) 11.931 7.437 ( -0.295 2.380 -2.296) 3.320 8.050 ( -3.824 5.040 6.854) 9.327 8.274 ( 2.260 -9.028 -2.873) 9.740 8.514 ( -1.228 -7.018 -0.321) 7.132 8.597 ( 4.641 -15.602 9.724) 18.961 9.363 ( -2.685 0.089 -4.606) 5.332 9.374 ( -1.023 0.908 -5.003) 5.187 9.859 ( -9.157 -10.884 1.070) 14.264 9.883 ( -5.067 -11.350 1.669) 12.541 11.349 ( -6.306 3.180 10.128) 12.347 11.755 ( -20.164 10.772 31.736) 39.113 12.332 ( 14.631 7.855 5.235) 17.412 13.159 ( -3.658 -7.263 -12.417) 14.842 13.332 ( 0.240 -1.360 -4.545) 4.750 13.809 ( -32.408 -8.286 12.903) 35.853 14.607 ( 41.000 14.875 -4.220) 43.819 15.370 ( 6.373 -8.693 -14.141) 17.780 15.965 ( -2.057 -0.900 -4.783) 5.284 16.074 ( 3.272 -0.640 -2.305) 4.054 19.973 ( -0.553 7.810 10.876) 13.401 20.948 ( -0.213 2.508 2.729) 3.713 21.700 ( -72.170 -16.822 -4.939) 74.269 22.732 ( 78.682 9.576 -30.683) 84.994 24.034 ( 3.967 10.323 13.822) 17.702 24.948 ( -0.399 -7.433 -3.129) 8.075 ======================= Grid point 109 (34/155) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 3.547 -17.022 3.333) 17.704 0.885 ( 5.701 -12.848 6.258) 15.386 1.463 ( 2.190 -21.829 7.624) 23.226 1.987 ( 0.681 -3.825 -3.276) 5.082 2.250 ( -0.124 -0.644 -2.311) 2.402 2.363 ( -0.806 -1.720 -0.451) 1.953 2.562 ( 1.485 4.630 3.355) 5.908 2.702 ( -1.440 -0.759 2.252) 2.778 2.922 ( 1.287 -2.649 -1.696) 3.399 3.124 ( -0.710 -2.069 2.647) 3.434 3.386 ( -0.572 2.408 -4.831) 5.428 3.578 ( -2.068 -1.196 0.698) 2.488 3.712 ( -5.211 2.133 -4.404) 7.149 3.839 ( -6.097 1.216 -0.489) 6.236 4.076 ( 2.720 6.208 -3.639) 7.693 4.418 ( 4.921 2.050 -3.066) 6.150 4.545 ( 2.648 6.222 -2.363) 7.163 4.852 ( -0.986 -3.804 -1.602) 4.244 4.994 ( 4.479 0.865 2.609) 5.255 5.842 ( -3.109 14.168 1.836) 14.621 6.645 ( 1.240 8.149 6.536) 10.519 6.981 ( 4.208 -10.470 1.463) 11.378 7.182 ( 0.268 -11.191 3.109) 11.618 7.332 ( 1.257 6.850 1.482) 7.120 8.035 ( -4.202 -5.089 2.368) 7.011 8.349 ( 2.668 1.762 5.533) 6.390 8.568 ( 0.367 -4.979 1.921) 5.349 8.856 ( 4.070 -8.968 11.568) 15.193 9.331 ( -0.498 1.038 -5.677) 5.792 9.411 ( -3.648 -3.969 -7.852) 9.524 9.984 ( -0.870 -7.865 11.402) 13.878 10.095 ( -12.210 -15.140 -11.133) 22.411 11.184 ( -5.692 2.949 20.353) 21.339 11.870 ( -2.399 -19.373 9.682) 21.790 12.261 ( 7.788 8.409 5.766) 12.830 13.165 ( -3.967 0.759 -4.582) 6.108 13.367 ( -0.092 -2.467 -2.867) 3.784 13.766 ( -20.850 -5.222 8.765) 23.213 14.462 ( 15.394 18.893 -0.235) 24.372 15.518 ( 3.720 -5.025 -9.615) 11.469 15.959 ( -2.253 0.439 -5.472) 5.935 16.082 ( 4.727 2.272 -1.854) 5.562 19.893 ( -0.355 2.008 8.393) 8.637 20.885 ( -0.811 3.884 2.954) 4.946 21.569 ( -38.389 -7.510 -5.726) 39.533 22.804 ( 47.651 23.613 -22.064) 57.577 23.942 ( 1.379 2.384 11.407) 11.734 25.056 ( -1.025 -4.980 -3.455) 6.147 ======================= Grid point 110 (35/155) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 3.406 -4.680 2.140) 6.171 1.194 ( 4.402 -16.318 1.267) 16.949 1.691 ( -8.365 -6.220 3.630) 11.038 2.009 ( 0.544 3.224 -0.319) 3.285 2.292 ( 2.125 -3.931 -3.977) 5.982 2.391 ( -1.548 -3.246 0.390) 3.617 2.573 ( 5.277 -2.532 5.349) 7.929 2.727 ( -1.827 -2.316 -1.802) 3.456 2.969 ( -3.115 -2.104 -4.145) 5.596 3.185 ( 6.899 -1.015 0.966) 7.040 3.269 ( -6.295 5.212 -4.939) 9.549 3.591 ( -0.641 2.202 -4.655) 5.190 3.619 ( -0.060 2.245 1.671) 2.799 3.828 ( -9.281 -4.727 0.587) 10.432 4.000 ( 1.270 2.485 2.903) 4.026 4.387 ( 3.566 3.994 0.304) 5.363 4.429 ( 1.601 8.339 0.515) 8.507 4.915 ( 1.240 -0.693 -2.736) 3.083 5.008 ( 5.629 0.165 -3.465) 6.612 5.586 ( -1.493 11.471 5.649) 12.874 6.564 ( 1.736 1.837 4.320) 5.005 7.111 ( -1.053 5.669 5.470) 7.948 7.240 ( 2.758 -5.934 -4.154) 7.751 7.421 ( 4.973 -10.351 1.171) 11.544 8.124 ( -2.301 -5.464 4.501) 7.444 8.325 ( 6.506 1.451 9.603) 11.690 8.742 ( -3.165 -13.166 -1.601) 13.635 8.965 ( 2.707 -1.976 8.097) 8.763 9.324 ( -2.393 -0.579 -5.727) 6.234 9.433 ( -3.816 -0.971 -4.039) 5.641 10.122 ( -0.822 -7.578 9.847) 12.453 10.221 ( -6.969 -5.590 -4.535) 10.019 11.222 ( -1.329 -8.719 13.804) 16.381 12.112 ( 3.964 10.772 6.624) 13.252 12.288 ( 0.485 -25.092 4.308) 25.464 13.138 ( -3.444 -1.257 0.607) 3.717 13.410 ( 0.189 -1.672 -1.648) 2.356 13.721 ( -13.077 -1.890 6.975) 14.941 14.167 ( 4.899 20.601 1.779) 21.250 15.619 ( 0.726 -4.715 -6.048) 7.704 15.929 ( -2.795 0.669 -5.572) 6.270 16.052 ( 5.197 4.638 -3.110) 7.628 19.871 ( -0.135 0.513 7.068) 7.088 20.811 ( -0.766 3.525 3.040) 4.717 21.487 ( -19.878 -4.160 -5.426) 21.022 22.595 ( 27.533 24.179 -13.781) 39.149 23.933 ( 0.202 -0.101 8.239) 8.242 25.113 ( -0.840 -2.165 -3.640) 4.317 ======================= Grid point 111 (36/155) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 9.814 -6.663 2.809) 12.190 1.468 ( -1.303 -10.721 -1.343) 10.883 1.640 ( -10.566 1.948 5.700) 12.163 1.900 ( 0.922 8.358 1.025) 8.471 2.379 ( 3.408 -3.397 -3.143) 5.747 2.468 ( -3.309 -5.679 1.610) 6.767 2.656 ( 2.970 -2.382 3.168) 4.953 2.711 ( -2.387 2.845 -3.814) 5.324 2.980 ( -1.422 0.698 -7.781) 7.941 3.096 ( -4.147 0.753 -2.456) 4.878 3.303 ( 6.146 1.403 -4.842) 7.949 3.485 ( -2.135 1.914 -2.356) 3.712 3.667 ( 1.799 -2.930 3.081) 4.616 3.857 ( -5.125 -1.824 5.744) 7.911 4.012 ( -1.346 -4.253 4.655) 6.447 4.271 ( 0.156 9.006 3.743) 9.754 4.342 ( 3.730 3.392 0.298) 5.051 4.841 ( 0.784 6.599 -8.556) 10.834 5.097 ( 3.274 -4.602 -1.186) 5.771 5.427 ( 0.585 6.089 7.970) 10.047 6.591 ( 1.470 -2.947 1.793) 3.750 6.985 ( -0.472 5.995 0.120) 6.014 7.295 ( 0.369 -0.207 -0.771) 0.880 7.663 ( 4.772 -10.001 0.773) 11.108 8.171 ( 0.118 -0.956 4.810) 4.905 8.408 ( 5.929 -5.224 9.247) 12.163 8.853 ( -3.162 0.427 -1.612) 3.575 9.079 ( 0.646 -10.579 0.099) 10.599 9.302 ( -2.665 1.043 -2.478) 3.786 9.397 ( -3.251 2.406 0.387) 4.063 10.226 ( -1.466 -4.231 7.539) 8.769 10.246 ( -2.701 -1.882 0.997) 3.440 11.425 ( 0.784 -12.620 10.593) 16.496 11.902 ( 1.563 13.545 8.060) 15.839 12.780 ( 1.274 -27.524 0.549) 27.559 13.189 ( -1.287 -6.435 3.796) 7.582 13.392 ( -0.469 4.620 -1.220) 4.802 13.681 ( -6.078 -0.453 6.526) 8.930 13.798 ( 0.333 21.685 3.002) 21.894 15.695 ( -0.757 -3.609 -2.563) 4.490 15.909 ( -2.663 -0.331 -6.463) 6.998 15.991 ( 4.672 5.123 -5.264) 8.705 19.867 ( 0.009 0.070 6.895) 6.896 20.757 ( -0.308 1.911 2.987) 3.559 21.466 ( -8.797 -3.320 -5.427) 10.856 22.347 ( 12.714 16.124 -8.912) 22.384 23.937 ( -0.183 -0.231 6.699) 6.706 25.130 ( -0.421 -0.386 -3.778) 3.821 ======================= Grid point 112 (37/155) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 -0.000 3.971) 3.971 1.395 ( 0.000 -0.000 0.786) 0.786 1.723 ( 0.000 0.000 4.077) 4.077 1.748 ( -0.000 -0.000 0.939) 0.939 2.441 ( 0.000 -0.000 0.321) 0.321 2.502 ( -0.000 -0.000 -1.462) 1.462 2.660 ( 0.000 -0.000 -6.010) 6.010 2.686 ( -0.000 -0.000 2.844) 2.844 2.936 ( -0.000 -0.000 -4.457) 4.457 3.143 ( -0.000 -0.000 -4.385) 4.385 3.251 ( 0.000 -0.000 -8.768) 8.768 3.492 ( 0.000 -0.000 0.150) 0.150 3.722 ( -0.000 0.000 0.492) 0.492 3.828 ( -0.000 -0.000 10.892) 10.892 4.110 ( 0.000 -0.000 6.049) 6.049 4.133 ( 0.000 0.000 3.528) 3.528 4.324 ( -0.000 -0.000 -0.107) 0.107 4.772 ( -0.000 -0.000 -9.544) 9.544 5.159 ( 0.000 -0.000 -1.835) 1.835 5.371 ( 0.000 -0.000 9.883) 9.883 6.637 ( -0.000 -0.000 1.505) 1.505 6.921 ( 0.000 -0.000 -3.224) 3.224 7.294 ( 0.000 -0.000 -0.233) 0.233 7.774 ( 0.000 -0.000 3.160) 3.160 8.178 ( -0.000 -0.000 5.911) 5.911 8.504 ( -0.000 0.000 2.545) 2.545 8.807 ( 0.000 -0.000 1.800) 1.800 9.229 ( -0.000 -0.000 -11.693) 11.693 9.267 ( 0.000 -0.000 7.025) 7.025 9.334 ( -0.000 0.000 2.662) 2.662 10.256 ( -0.000 -0.000 2.652) 2.652 10.260 ( -0.000 0.000 6.801) 6.801 11.647 ( 0.000 -0.000 8.125) 8.125 11.677 ( 0.000 0.000 10.612) 10.612 13.204 ( 0.000 -0.000 -3.219) 3.219 13.226 ( -0.000 0.000 -1.781) 1.781 13.369 ( 0.000 -0.000 6.679) 6.679 13.415 ( 0.000 0.000 4.823) 4.823 13.685 ( -0.000 -0.000 6.300) 6.300 15.729 ( -0.000 0.000 -0.389) 0.389 15.902 ( -0.000 -0.000 -6.133) 6.133 15.955 ( 0.000 0.000 -7.762) 7.762 19.866 ( 0.000 -0.000 6.947) 6.947 20.739 ( 0.000 -0.000 2.935) 2.935 21.473 ( 0.000 -0.000 -5.704) 5.704 22.233 ( 0.000 0.000 -7.012) 7.012 23.938 ( 0.000 -0.000 6.242) 6.242 25.131 ( -0.000 -0.000 -3.811) 3.811 ======================= Grid point 119 (38/155) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 8.491 0.000 18.047) 19.944 0.560 ( 15.721 0.000 16.647) 22.897 0.793 ( 11.738 0.000 31.424) 33.545 1.872 ( -0.284 -0.000 -2.010) 2.030 2.233 ( -0.784 -0.000 2.499) 2.619 2.245 ( -2.046 -0.000 5.186) 5.575 2.697 ( -9.525 -0.000 5.362) 10.931 2.699 ( 1.690 0.000 0.111) 1.694 2.984 ( -1.271 -0.000 0.088) 1.274 3.094 ( -11.704 -0.000 2.789) 12.032 3.397 ( 4.279 0.000 -6.640) 7.900 3.504 ( -3.523 -0.000 4.764) 5.926 3.776 ( 7.131 0.000 -3.067) 7.762 3.868 ( -9.774 -0.000 -0.072) 9.774 4.252 ( 19.956 0.000 -9.721) 22.198 4.359 ( -3.835 -0.000 -7.337) 8.279 4.696 ( 4.293 0.000 -3.919) 5.813 4.762 ( 1.945 0.000 -2.781) 3.393 5.161 ( -2.924 -0.000 -5.614) 6.330 6.152 ( 4.163 0.000 -3.678) 5.555 6.598 ( -1.752 -0.000 -0.471) 1.815 6.922 ( -1.920 -0.000 2.380) 3.058 7.326 ( -1.429 -0.000 9.965) 10.067 7.374 ( -9.248 -0.000 -7.565) 11.948 7.936 ( -2.074 -0.000 -6.020) 6.367 8.245 ( 1.590 0.000 19.410) 19.475 8.251 ( -7.110 -0.000 3.241) 7.814 8.488 ( 9.206 0.000 3.741) 9.938 9.345 ( -11.540 -0.000 6.564) 13.276 9.371 ( -4.044 -0.000 -7.535) 8.552 9.549 ( -17.720 -0.000 11.098) 20.908 9.837 ( 2.842 0.000 13.979) 14.265 11.304 ( -7.726 -0.000 7.522) 10.783 11.659 ( -43.489 -0.000 42.967) 61.134 12.658 ( 0.976 0.000 -3.558) 3.689 12.908 ( 9.486 0.000 -1.062) 9.545 13.321 ( 0.378 0.000 -5.193) 5.207 13.553 ( -15.019 -0.000 12.510) 19.547 15.213 ( -0.286 -0.000 -9.375) 9.379 15.324 ( 67.474 0.000 -42.017) 79.487 15.905 ( -7.063 -0.000 -3.591) 7.923 16.098 ( 6.548 0.000 -1.702) 6.765 20.120 ( -0.725 -0.000 3.491) 3.566 20.906 ( -62.437 -0.000 35.550) 71.849 20.975 ( 0.478 0.000 2.534) 2.579 23.309 ( 58.993 0.000 -38.138) 70.247 24.311 ( 22.000 0.000 -14.948) 26.597 24.844 ( 0.096 0.000 0.910) 0.915 ======================= Grid point 120 (39/155) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 11.678 -5.387 14.270) 19.210 0.717 ( 12.832 -8.443 13.215) 20.262 1.129 ( 17.269 -19.550 11.432) 28.480 1.911 ( 0.189 -4.019 -2.722) 4.858 2.214 ( -3.244 -1.721 0.429) 3.697 2.315 ( -0.879 -4.045 0.919) 4.240 2.642 ( -3.836 1.672 6.305) 7.567 2.681 ( -1.098 1.468 1.753) 2.536 2.937 ( 0.833 1.960 -2.375) 3.190 3.069 ( -3.845 -1.813 2.549) 4.956 3.388 ( -0.667 0.048 -5.162) 5.205 3.523 ( -1.192 -2.643 3.196) 4.315 3.714 ( -5.366 3.924 1.251) 6.765 3.847 ( -5.811 1.175 -4.198) 7.265 4.235 ( 6.319 7.170 -9.157) 13.236 4.463 ( 9.641 -3.129 -5.940) 11.749 4.668 ( 3.362 5.296 -2.543) 6.769 4.793 ( 0.254 -1.395 -3.308) 3.599 5.047 ( 1.366 4.217 2.288) 4.988 6.059 ( 0.091 10.814 -3.170) 11.270 6.733 ( -10.048 3.387 19.161) 21.900 6.859 ( -0.314 -9.063 -4.941) 10.327 7.035 ( 5.703 0.620 -2.610) 6.303 7.436 ( 0.436 2.268 -1.791) 2.923 7.979 ( -6.474 3.583 6.862) 10.092 8.306 ( 2.066 -8.325 3.914) 9.429 8.515 ( 1.543 -9.848 -1.978) 10.163 8.673 ( 6.264 -15.992 4.440) 17.740 9.260 ( -14.318 -6.101 -3.056) 15.861 9.362 ( -1.496 1.231 -1.510) 2.456 9.588 ( -20.511 -15.904 2.998) 26.127 9.902 ( 2.802 -4.656 13.640) 14.682 11.195 ( -14.463 3.622 23.997) 28.252 11.567 ( -7.027 -10.693 18.580) 22.559 12.507 ( 11.103 11.250 1.860) 15.916 13.076 ( -8.099 -6.909 -4.985) 11.755 13.338 ( 0.597 -1.008 -4.454) 4.605 13.528 ( -11.129 -5.184 9.544) 15.550 14.983 ( 14.706 23.413 -9.152) 29.124 15.538 ( 16.834 3.810 -17.746) 24.755 15.930 ( -2.609 -2.191 -8.633) 9.282 16.142 ( 6.844 0.296 -1.873) 7.101 19.961 ( -1.350 7.118 10.886) 13.076 20.909 ( -14.753 -5.904 5.971) 16.975 21.036 ( -23.630 -18.447 6.042) 30.581 23.489 ( 36.131 12.367 -27.056) 46.802 24.162 ( 17.059 21.395 -4.381) 27.712 24.939 ( -1.030 -6.700 -2.647) 7.277 ======================= Grid point 121 (40/155) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 9.655 -10.590 3.655) 14.789 0.973 ( 7.916 -12.104 7.004) 16.070 1.493 ( 2.129 -11.826 3.739) 12.584 1.996 ( 0.593 -4.040 -1.779) 4.454 2.243 ( -0.844 -2.735 -2.815) 4.014 2.351 ( -1.081 -1.537 -1.273) 2.270 2.587 ( 2.218 1.446 6.681) 7.186 2.689 ( -0.300 -1.742 1.664) 2.428 2.923 ( -0.646 -0.234 -3.556) 3.622 3.135 ( 1.766 -6.032 3.780) 7.334 3.326 ( -8.747 4.606 -6.483) 11.822 3.575 ( -0.273 -3.061 1.547) 3.440 3.649 ( -1.576 0.594 2.970) 3.415 3.755 ( -6.702 3.065 -3.206) 8.036 4.115 ( 3.296 8.531 -4.299) 10.106 4.496 ( 7.128 4.758 -0.783) 8.606 4.578 ( 1.964 6.758 -0.928) 7.099 4.838 ( -0.880 -5.272 -0.044) 5.345 5.069 ( 6.684 -0.324 -3.100) 7.375 5.813 ( -1.108 14.458 0.467) 14.508 6.582 ( -10.329 1.872 10.764) 15.035 7.064 ( 6.090 -9.490 -6.600) 13.066 7.213 ( 5.154 -7.049 4.344) 9.753 7.356 ( 2.775 3.779 -1.720) 4.994 7.964 ( -6.787 -6.825 1.789) 9.790 8.401 ( 5.241 -1.001 6.386) 8.321 8.581 ( 2.114 -1.533 6.566) 7.067 8.919 ( 5.277 -6.023 7.773) 11.160 9.319 ( -1.429 1.531 -3.839) 4.373 9.345 ( -6.461 -6.362 -8.687) 12.558 9.842 ( -19.749 -23.833 -4.675) 31.304 10.022 ( 0.427 -7.042 10.677) 12.797 11.101 ( -6.853 -1.980 20.967) 22.147 11.843 ( -1.728 -21.372 9.050) 23.274 12.375 ( 9.421 11.747 4.462) 15.705 13.083 ( -8.752 -1.695 -3.437) 9.554 13.363 ( -0.485 -2.304 -1.800) 2.964 13.564 ( -9.995 -5.329 7.674) 13.682 14.617 ( 9.020 24.781 -2.077) 26.453 15.577 ( 5.072 -1.079 -9.306) 10.653 15.915 ( -4.433 0.397 -6.201) 7.633 16.160 ( 6.796 2.820 -2.183) 7.675 19.887 ( -0.525 1.672 8.257) 8.441 20.868 ( -1.938 2.763 2.822) 4.399 21.196 ( -20.693 -13.743 -1.190) 24.870 23.315 ( 31.864 30.255 -23.256) 49.714 23.967 ( 2.321 5.973 7.901) 10.173 25.039 ( -1.535 -5.233 -2.679) 6.076 ======================= Grid point 122 (41/155) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 6.745 -5.667 3.256) 9.393 1.250 ( 3.929 -13.469 2.539) 14.258 1.586 ( -7.611 -1.522 2.430) 8.133 2.009 ( -0.436 2.932 0.111) 2.966 2.310 ( 0.489 -4.908 -0.498) 4.957 2.387 ( 0.853 -2.505 -3.811) 4.639 2.630 ( 2.954 -2.716 5.352) 6.689 2.717 ( 0.574 -0.766 0.269) 0.994 2.928 ( -3.118 -1.987 -6.673) 7.629 3.145 ( -9.831 6.305 -5.164) 12.770 3.293 ( 6.156 -6.718 2.115) 9.355 3.554 ( -2.106 6.160 -4.699) 8.029 3.640 ( -1.076 -1.609 3.192) 3.733 3.738 ( -2.468 -4.457 4.785) 6.989 4.015 ( 0.781 3.848 3.205) 5.069 4.430 ( 2.315 7.311 0.885) 7.719 4.449 ( 2.801 6.790 0.955) 7.407 4.931 ( 1.193 -2.242 -1.742) 3.080 5.080 ( 4.850 2.158 -5.360) 7.544 5.579 ( 0.643 10.458 3.124) 10.934 6.536 ( -5.657 -2.266 2.897) 6.748 7.118 ( 1.959 6.883 3.916) 8.158 7.274 ( 2.334 -2.415 -2.994) 4.500 7.504 ( 7.679 -11.269 -2.907) 13.943 8.095 ( -2.515 -9.185 1.577) 9.653 8.421 ( 8.602 2.396 8.093) 12.051 8.709 ( -1.720 -11.509 3.918) 12.279 8.985 ( -0.062 -0.787 8.394) 8.431 9.292 ( -2.425 0.198 -4.904) 5.475 9.379 ( -4.247 -1.458 -4.347) 6.250 10.082 ( -8.074 -11.986 1.741) 14.556 10.141 ( -2.714 -6.469 4.685) 8.436 11.200 ( -2.149 -11.671 14.512) 18.746 12.172 ( 5.270 11.496 5.861) 13.938 12.294 ( 0.498 -23.983 4.751) 24.454 13.078 ( -5.668 -3.977 0.318) 6.931 13.411 ( -0.218 -2.283 -1.451) 2.713 13.577 ( -8.760 -3.130 7.433) 11.907 14.221 ( 3.622 23.815 1.168) 24.117 15.635 ( 1.788 -2.636 -5.933) 6.734 15.884 ( -4.085 -0.270 -5.919) 7.197 16.125 ( 5.746 5.394 -3.125) 8.478 19.869 ( -0.180 0.339 7.142) 7.153 20.807 ( 0.454 3.209 2.722) 4.232 21.286 ( -12.200 -8.680 -3.431) 15.361 22.901 ( 20.343 31.898 -15.423) 40.856 23.928 ( -1.174 0.105 7.656) 7.746 25.101 ( -0.990 -2.588 -3.185) 4.221 ======================= Grid point 123 (42/155) ======================= q-point: ( 0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 9.413 -10.187 2.892) 14.168 1.418 ( -6.980 3.152 -0.272) 7.664 1.540 ( -3.939 -7.738 6.609) 10.912 1.913 ( 1.109 7.603 0.370) 7.692 2.416 ( 0.318 -5.553 0.695) 5.605 2.436 ( 0.387 -2.665 -1.711) 3.190 2.653 ( -3.173 0.554 -3.706) 4.910 2.715 ( 2.650 1.160 3.021) 4.182 2.959 ( -2.209 1.327 -8.912) 9.277 3.037 ( -3.720 -4.161 -4.003) 6.868 3.372 ( 1.597 5.791 -5.213) 7.954 3.466 ( 1.438 -1.565 -0.097) 2.128 3.688 ( 1.691 -3.536 5.256) 6.557 3.806 ( -2.705 -3.270 6.704) 7.934 3.982 ( -3.543 -2.179 5.389) 6.808 4.276 ( 0.829 8.669 4.347) 9.733 4.379 ( 2.038 4.653 -0.620) 5.118 4.878 ( 4.385 7.152 -7.757) 11.426 5.119 ( 0.429 -3.044 -0.797) 3.176 5.442 ( 1.567 6.181 6.043) 8.785 6.576 ( -3.475 -4.516 -1.104) 5.804 7.002 ( 3.132 6.739 1.345) 7.552 7.290 ( -1.371 0.132 -1.153) 1.797 7.722 ( 3.918 -6.875 -0.345) 7.920 8.204 ( 5.083 -1.276 3.317) 6.202 8.470 ( 3.515 -3.059 4.258) 6.313 8.812 ( -2.965 0.340 1.088) 3.176 9.071 ( -2.025 -11.065 6.053) 12.774 9.278 ( -1.085 -0.202 -2.780) 2.991 9.352 ( -3.313 1.465 -1.216) 3.821 10.194 ( -3.498 -5.717 4.454) 8.047 10.223 ( -0.762 -3.900 4.653) 6.120 11.434 ( 0.677 -13.416 10.706) 17.177 11.926 ( 2.096 15.695 7.868) 17.682 12.794 ( 0.866 -27.750 0.501) 27.768 13.173 ( -1.115 -9.011 3.498) 9.730 13.386 ( -0.391 5.493 -1.511) 5.710 13.603 ( -5.850 -5.226 7.392) 10.778 13.802 ( 0.361 24.193 2.763) 24.353 15.691 ( 0.179 -2.847 -2.671) 3.908 15.873 ( -2.816 -0.935 -6.774) 7.396 16.050 ( 4.381 6.133 -4.964) 9.025 19.866 ( -0.058 0.015 6.980) 6.980 20.764 ( 1.405 2.142 2.786) 3.784 21.369 ( -6.403 -7.382 -4.495) 10.756 22.491 ( 9.633 23.051 -9.934) 26.885 23.927 ( -1.332 -0.698 6.672) 6.840 25.124 ( -0.429 -0.725 -3.582) 3.679 ======================= Grid point 124 (43/155) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -11.099 9.819 3.493) 15.225 1.514 ( 10.120 -10.285 1.428) 14.500 1.717 ( -0.742 -9.325 3.559) 10.008 1.755 ( 0.976 9.143 1.351) 9.294 2.415 ( -2.724 2.492 -2.121) 4.258 2.531 ( 3.391 -2.825 0.296) 4.423 2.655 ( -0.865 -3.130 -4.954) 5.924 2.691 ( 0.609 2.838 3.094) 4.242 2.929 ( -0.920 -2.075 -3.729) 4.366 3.119 ( -2.746 -1.917 -6.461) 7.277 3.282 ( 3.890 2.413 -7.083) 8.434 3.475 ( -2.560 0.877 -1.222) 2.969 3.723 ( 0.273 2.909 1.468) 3.270 3.847 ( 2.783 -4.061 9.930) 11.083 4.070 ( -5.077 -7.436 4.263) 9.962 4.153 ( 1.823 4.264 4.807) 6.679 4.305 ( -2.177 2.510 0.017) 3.323 4.820 ( 6.557 2.426 -7.978) 10.608 5.134 ( -3.648 1.254 -2.489) 4.590 5.377 ( 0.781 1.157 9.698) 9.798 6.608 ( -3.673 -0.389 0.243) 3.702 6.942 ( 2.691 1.120 -1.262) 3.176 7.281 ( -1.733 -0.679 0.069) 1.863 7.771 ( -0.291 2.976 3.805) 4.839 8.217 ( 5.408 2.943 3.841) 7.257 8.467 ( -5.088 4.155 2.582) 7.059 8.817 ( 1.000 -3.352 2.640) 4.382 9.208 ( -2.299 0.157 -8.226) 8.543 9.283 ( 1.869 -1.361 2.883) 3.696 9.337 ( 0.113 -3.751 2.907) 4.747 10.258 ( 0.277 -1.826 4.121) 4.516 10.261 ( 0.166 -0.904 5.589) 5.665 11.651 ( 0.482 5.916 8.388) 10.275 11.677 ( -0.042 -3.874 10.184) 10.896 13.203 ( -0.190 11.889 -3.036) 12.272 13.229 ( 0.431 -11.647 -2.085) 11.840 13.371 ( 0.212 9.671 6.656) 11.742 13.416 ( 0.230 -9.691 5.017) 10.915 13.676 ( -1.263 -4.651 6.366) 7.985 15.730 ( 0.168 -0.836 -0.422) 0.952 15.888 ( -1.539 -2.566 -6.781) 7.412 15.972 ( 1.942 4.412 -7.162) 8.633 19.866 ( -0.069 0.002 6.905) 6.905 20.749 ( 1.378 0.464 2.950) 3.289 21.469 ( -0.573 -6.118 -5.752) 8.417 22.234 ( 0.131 8.471 -7.070) 11.034 23.932 ( -0.799 -0.566 6.362) 6.437 25.130 ( -0.015 -0.282 -3.803) 3.814 ======================= Grid point 125 (44/155) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -6.353 3.113 2.371) 7.461 1.475 ( 0.151 15.263 -0.675) 15.279 1.767 ( 8.189 -4.233 3.932) 10.022 1.890 ( -0.622 -8.747 1.388) 8.879 2.338 ( -2.781 3.583 -4.582) 6.447 2.512 ( 3.535 6.013 2.452) 7.393 2.610 ( -3.730 4.819 4.768) 7.737 2.744 ( 2.250 -3.494 -5.599) 6.973 3.001 ( 1.925 -2.053 -5.473) 6.154 3.101 ( -3.403 -2.759 -0.706) 4.437 3.278 ( 2.302 2.816 -4.706) 5.948 3.492 ( -1.107 -6.052 -7.279) 9.531 3.647 ( -1.028 4.029 4.313) 5.991 3.928 ( 5.543 -0.991 3.104) 6.430 4.019 ( -0.225 4.647 3.503) 5.824 4.255 ( -3.079 -8.621 1.061) 9.216 4.302 ( -1.368 -3.833 2.347) 4.698 4.866 ( 4.452 -2.575 -6.473) 8.267 5.036 ( -6.140 4.730 -2.852) 8.259 5.427 ( 0.263 -6.304 10.192) 11.986 6.552 ( -3.654 2.590 4.576) 6.403 7.002 ( 1.476 -5.640 -0.586) 5.859 7.286 ( -0.844 0.034 -0.558) 1.012 7.617 ( -2.173 12.380 2.750) 12.866 8.191 ( 2.616 2.127 4.750) 5.825 8.331 ( -5.756 5.507 10.194) 12.937 8.886 ( 1.803 -1.867 1.123) 2.828 9.063 ( -1.376 11.449 -6.818) 13.396 9.340 ( 2.957 -1.236 -1.271) 3.448 9.427 ( 1.283 -3.802 0.563) 4.052 10.242 ( 1.000 4.351 8.393) 9.507 10.274 ( 1.554 -0.455 0.075) 1.621 11.416 ( -0.543 12.276 10.395) 16.095 11.888 ( -0.688 -11.957 8.089) 14.453 12.765 ( -0.949 27.375 0.679) 27.400 13.203 ( 0.863 4.996 4.001) 6.459 13.397 ( 0.340 -3.776 -1.013) 3.925 13.746 ( 3.717 -8.733 5.204) 10.825 13.795 ( -0.088 -16.081 3.841) 16.533 15.707 ( 0.925 3.876 -2.270) 4.586 15.931 ( -0.962 -0.434 -7.130) 7.207 15.945 ( -0.464 -3.430 -4.906) 6.004 19.866 ( -0.037 -0.135 6.760) 6.762 20.767 ( 0.936 -1.673 3.158) 3.695 21.589 ( 9.918 -4.574 -7.159) 13.059 22.180 ( -12.631 -5.743 -7.229) 15.645 23.934 ( -0.399 -0.019 6.922) 6.934 25.134 ( 0.254 0.098 -3.928) 3.938 ======================= Grid point 126 (45/155) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -0.899 2.043 1.591) 2.741 1.151 ( -1.988 19.590 0.295) 19.693 1.779 ( 4.401 9.680 5.066) 11.778 1.997 ( -0.905 -2.835 -1.030) 3.149 2.267 ( -1.328 2.128 -4.932) 5.533 2.419 ( 2.178 5.143 2.798) 6.247 2.511 ( -3.644 1.474 3.204) 5.072 2.750 ( 1.339 2.943 -1.754) 3.678 2.997 ( 0.981 4.544 -4.265) 6.309 3.116 ( -2.833 -2.197 2.087) 4.148 3.322 ( 1.800 -4.707 -4.098) 6.495 3.590 ( 0.894 0.204 1.946) 2.152 3.628 ( -0.352 -7.060 -8.359) 10.947 3.932 ( 4.786 4.732 1.569) 6.911 3.995 ( 1.003 -2.452 0.226) 2.659 4.336 ( -3.649 -4.082 -2.850) 6.172 4.412 ( -0.672 -7.119 0.246) 7.155 4.905 ( -0.179 1.472 -5.026) 5.240 4.954 ( -2.472 -0.326 1.663) 2.997 5.608 ( 1.315 -12.867 7.711) 15.058 6.518 ( -3.300 -2.338 6.765) 7.882 7.141 ( 2.775 -6.601 2.738) 7.666 7.206 ( -2.365 8.736 -4.085) 9.929 7.380 ( -1.483 9.858 5.827) 11.547 8.156 ( 2.375 5.569 6.093) 8.590 8.256 ( -3.951 -3.152 9.507) 10.767 8.779 ( 2.125 15.090 -5.912) 16.345 8.930 ( -2.058 1.407 9.342) 9.669 9.347 ( 1.014 1.545 -5.706) 5.998 9.468 ( 1.467 0.404 -4.185) 4.453 10.128 ( 0.247 7.960 10.786) 13.407 10.284 ( 2.541 2.076 -6.019) 6.855 11.233 ( 0.397 6.812 13.159) 14.823 12.076 ( -1.432 -9.413 7.166) 11.916 12.283 ( -0.206 24.989 4.076) 25.320 13.166 ( 1.073 0.213 0.940) 1.442 13.408 ( -0.124 1.589 -1.506) 2.193 13.876 ( 9.184 -3.655 5.363) 11.246 14.098 ( -5.066 -16.083 2.690) 17.075 15.615 ( -0.080 6.221 -6.098) 8.712 15.951 ( 0.665 -1.440 -5.725) 5.941 16.005 ( -1.883 -3.629 -2.755) 4.930 19.873 ( 0.049 -0.642 6.987) 7.016 20.820 ( 0.457 -3.519 3.191) 4.773 21.789 ( 26.159 -5.737 -9.604) 28.451 22.220 ( -29.349 -11.827 -9.639) 33.078 23.929 ( -0.274 0.280 8.658) 8.667 25.121 ( 0.327 1.872 -3.926) 4.362 ======================= Grid point 127 (46/155) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -0.000 21.142 3.430) 21.418 0.843 ( -0.000 10.886 5.448) 12.173 1.447 ( -0.000 26.662 9.642) 28.351 1.982 ( -0.000 3.349 -3.844) 5.098 2.250 ( -0.000 0.182 -2.146) 2.154 2.369 ( -0.000 1.929 0.015) 1.929 2.552 ( 0.000 -6.297 1.744) 6.534 2.714 ( -0.000 0.350 2.656) 2.679 2.907 ( -0.000 3.573 -1.351) 3.819 3.135 ( -0.000 0.212 1.871) 1.883 3.381 ( 0.000 -1.479 -2.477) 2.885 3.601 ( -0.000 1.176 -0.581) 1.312 3.745 ( 0.000 -5.189 -9.755) 11.049 3.890 ( -0.000 0.126 1.966) 1.970 4.053 ( 0.000 -2.775 -1.976) 3.407 4.382 ( 0.000 -2.496 -5.901) 6.407 4.526 ( 0.000 -5.765 -2.715) 6.372 4.859 ( -0.000 3.462 -4.018) 5.304 4.965 ( 0.000 -1.833 7.372) 7.596 5.868 ( 0.000 -14.320 2.454) 14.529 6.614 ( 0.000 -9.434 4.468) 10.438 6.963 ( -0.000 10.827 4.868) 11.871 7.184 ( -0.000 13.686 2.557) 13.923 7.323 ( 0.000 -9.226 3.648) 9.921 8.063 ( -0.000 4.148 2.639) 4.917 8.332 ( 0.000 -2.826 5.632) 6.301 8.567 ( -0.000 6.325 -1.235) 6.445 8.828 ( -0.000 10.032 13.805) 17.065 9.334 ( 0.000 -0.645 -6.233) 6.266 9.434 ( -0.000 3.460 -7.634) 8.381 9.984 ( -0.000 7.605 13.378) 15.389 10.182 ( -0.000 11.116 -15.671) 19.213 11.225 ( 0.000 -6.249 19.230) 20.220 11.890 ( -0.000 17.407 10.106) 20.128 12.205 ( 0.000 -5.538 6.625) 8.634 13.189 ( 0.000 -1.546 -4.496) 4.755 13.367 ( -0.000 2.428 -3.068) 3.912 13.973 ( 0.000 -1.713 6.128) 6.363 14.299 ( 0.000 -9.687 2.481) 10.000 15.493 ( -0.000 7.055 -9.687) 11.983 15.971 ( 0.000 -0.428 -4.870) 4.888 16.052 ( 0.000 -2.155 -1.917) 2.884 19.895 ( 0.000 -2.149 8.435) 8.705 20.890 ( 0.000 -3.850 2.970) 4.862 22.139 ( 0.000 -9.545 -22.213) 24.177 22.170 ( 0.000 -5.278 -5.842) 7.873 23.934 ( 0.000 -1.608 12.148) 12.254 25.063 ( -0.000 4.873 -3.761) 6.155 ======================= Grid point 130 (47/155) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 12.064 0.000 15.951) 19.999 0.791 ( 19.094 0.000 10.438) 21.760 1.076 ( 27.677 0.000 15.480) 31.712 1.869 ( -0.079 -0.000 -1.209) 1.212 2.195 ( -5.119 -0.000 3.391) 6.140 2.213 ( -2.791 -0.000 2.516) 3.758 2.619 ( -1.724 -0.000 6.337) 6.567 2.714 ( 0.125 0.000 2.220) 2.224 2.971 ( -0.184 -0.000 -1.609) 1.620 2.994 ( -5.216 -0.000 -0.990) 5.309 3.415 ( -2.444 -0.000 -3.701) 4.435 3.471 ( -2.355 -0.000 5.620) 6.093 3.741 ( -8.780 -0.000 -0.334) 8.786 3.808 ( -2.731 -0.000 -5.974) 6.569 4.386 ( 9.243 0.000 -4.495) 10.278 4.447 ( 10.520 0.000 -10.052) 14.550 4.741 ( 2.431 0.000 -2.281) 3.333 4.801 ( 3.970 0.000 -6.849) 7.917 5.123 ( -2.718 -0.000 -8.166) 8.607 6.221 ( 6.122 0.000 -6.669) 9.053 6.573 ( -2.130 -0.000 3.730) 4.295 6.871 ( -6.060 -0.000 8.013) 10.046 7.231 ( -12.167 -0.000 -5.418) 13.319 7.278 ( -5.457 -0.000 15.075) 16.032 7.894 ( -4.295 -0.000 -1.198) 4.459 8.148 ( -8.962 -0.000 1.469) 9.082 8.271 ( 2.280 0.000 20.627) 20.753 8.616 ( 10.561 0.000 -0.069) 10.561 9.171 ( -8.349 -0.000 14.798) 16.991 9.304 ( -6.203 -0.000 -6.663) 9.103 9.443 ( -3.316 -0.000 4.061) 5.243 9.882 ( 3.840 0.000 13.666) 14.195 11.129 ( -14.124 -0.000 25.110) 28.810 11.425 ( -4.533 -0.000 17.905) 18.470 12.674 ( 1.560 0.000 -3.640) 3.961 12.963 ( 1.141 0.000 4.633) 4.771 13.327 ( 0.610 0.000 -5.258) 5.294 13.461 ( -2.568 -0.000 2.143) 3.345 15.212 ( 0.231 0.000 -8.815) 8.818 15.808 ( -8.046 -0.000 -4.350) 9.147 15.909 ( 28.568 0.000 -43.060) 51.675 16.182 ( 6.513 0.000 -1.470) 6.677 20.108 ( -1.099 -0.000 3.291) 3.469 20.386 ( -24.586 -0.000 34.115) 42.051 20.983 ( 0.705 0.000 2.398) 2.499 23.690 ( 11.874 0.000 -4.615) 12.739 24.626 ( 21.545 0.000 -42.445) 47.600 24.845 ( 0.153 0.000 1.066) 1.077 ======================= Grid point 131 (48/155) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 13.971 -5.848 7.865) 17.066 0.925 ( 18.390 -2.640 9.299) 20.775 1.352 ( 16.768 -8.760 7.278) 20.270 1.919 ( 1.231 -4.489 -1.960) 5.051 2.161 ( -4.592 -2.899 -0.031) 5.430 2.288 ( -3.211 -5.419 1.165) 6.405 2.618 ( 0.384 -0.113 5.373) 5.388 2.672 ( -0.740 2.380 2.770) 3.727 2.953 ( 1.840 1.324 -3.001) 3.761 3.029 ( -2.807 -4.781 0.601) 5.576 3.328 ( -9.263 3.199 -2.473) 10.107 3.506 ( -2.790 -3.506 5.526) 7.114 3.662 ( -1.569 1.966 0.253) 2.528 3.771 ( -4.996 1.826 -5.160) 7.410 4.324 ( 8.230 10.048 -7.954) 15.230 4.583 ( 6.963 -3.116 -4.267) 8.741 4.700 ( 1.237 4.919 -1.565) 5.309 4.812 ( 4.260 3.407 -5.744) 7.921 5.080 ( 3.421 -0.943 -2.435) 4.304 6.073 ( 1.857 13.889 -3.001) 14.330 6.562 ( -15.416 8.148 23.002) 28.864 6.865 ( 1.153 -14.730 -9.010) 17.306 7.079 ( 0.780 -6.417 -4.654) 7.966 7.451 ( 1.983 -0.136 0.160) 1.995 7.896 ( -6.544 3.388 8.855) 11.520 8.317 ( -0.531 -11.669 7.099) 13.669 8.514 ( -4.502 -24.792 -0.882) 25.213 8.741 ( 5.083 -12.134 2.543) 13.399 9.074 ( -8.799 -0.003 5.630) 10.446 9.327 ( -4.040 -2.163 -1.217) 4.741 9.435 ( -5.773 -3.567 0.170) 6.788 9.941 ( 3.048 -3.629 13.300) 14.119 11.042 ( -9.535 0.636 23.888) 25.728 11.520 ( -1.798 -12.400 12.466) 17.675 12.619 ( 6.913 7.295 0.133) 10.051 12.981 ( -6.433 -1.800 0.987) 6.753 13.346 ( 0.734 -0.641 -4.525) 4.629 13.456 ( -2.265 -1.717 3.117) 4.218 15.081 ( 3.948 16.614 -7.635) 18.706 15.678 ( 3.272 7.275 -10.790) 13.419 15.929 ( 3.396 5.850 -16.407) 17.747 16.234 ( 7.029 0.343 -2.700) 7.538 19.942 ( -1.431 6.043 10.702) 12.373 20.636 ( -16.508 -24.091 10.126) 30.910 20.976 ( -0.132 0.509 2.407) 2.464 23.731 ( 8.256 2.558 -1.094) 8.713 24.408 ( 17.732 29.796 -27.272) 44.113 24.924 ( -1.240 -5.701 -1.743) 6.089 ======================= Grid point 132 (49/155) ======================= q-point: ( 0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 9.759 -8.041 2.537) 12.897 1.091 ( 11.425 -5.016 7.794) 14.712 1.508 ( 0.065 -3.284 1.533) 3.625 1.999 ( -0.245 -2.699 0.242) 2.721 2.234 ( -0.266 -5.483 -2.893) 6.205 2.335 ( -1.396 -2.935 -2.735) 4.248 2.616 ( 2.346 -0.175 7.998) 8.337 2.693 ( 0.347 -2.747 1.004) 2.945 2.916 ( -0.572 2.398 -4.841) 5.433 3.112 ( -7.776 -3.469 1.851) 8.714 3.226 ( -3.219 -0.886 -3.100) 4.556 3.540 ( -5.696 -3.209 7.665) 10.074 3.648 ( -0.045 2.080 -5.071) 5.481 3.727 ( 3.375 0.492 2.558) 4.263 4.158 ( 3.531 10.808 -3.949) 12.036 4.578 ( 2.802 6.642 -0.416) 7.221 4.602 ( 4.181 7.241 -0.773) 8.397 4.841 ( 1.888 -5.307 -1.024) 5.726 5.142 ( 4.076 0.016 -4.432) 6.021 5.814 ( 1.203 14.607 -0.418) 14.662 6.424 ( -13.236 -2.716 11.370) 17.659 7.112 ( 2.347 -9.503 -9.137) 13.390 7.274 ( 2.509 -6.978 0.792) 7.458 7.421 ( 7.628 1.198 -1.664) 7.898 7.869 ( -7.906 -7.413 1.955) 11.013 8.461 ( 3.310 -6.497 10.642) 12.900 8.640 ( 7.394 3.650 6.764) 10.665 8.976 ( 2.826 -1.205 4.460) 5.415 9.251 ( -7.111 -15.240 -7.049) 18.235 9.299 ( -2.045 1.648 -2.982) 3.974 9.594 ( -17.470 -25.830 -1.770) 31.234 10.034 ( 1.064 -4.969 11.191) 12.291 11.019 ( -5.784 -4.755 20.178) 21.523 11.827 ( -0.875 -22.160 8.834) 23.872 12.491 ( 8.495 13.093 3.808) 16.065 12.963 ( -9.224 -2.960 -1.471) 9.799 13.357 ( -0.393 -1.421 -0.387) 1.524 13.493 ( -2.464 -2.925 3.392) 5.112 14.705 ( 5.180 26.063 -2.601) 26.700 15.638 ( 4.094 0.844 -8.804) 9.746 15.855 ( -4.571 1.297 -7.122) 8.561 16.242 ( 5.683 3.313 -2.269) 6.958 19.880 ( -0.460 1.327 8.060) 8.181 20.839 ( -2.291 -3.516 2.273) 4.772 21.018 ( -8.565 -10.019 0.695) 13.199 23.622 ( 17.247 24.424 -15.122) 33.506 23.995 ( 1.698 15.232 -1.004) 15.359 25.020 ( -1.332 -5.475 -1.798) 5.915 ======================= Grid point 133 (50/155) ======================= q-point: ( 0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 9.076 -4.188 3.899) 10.729 1.286 ( 1.632 -11.066 3.355) 11.679 1.503 ( -5.574 2.056 2.452) 6.427 2.001 ( -0.620 1.833 0.356) 1.967 2.310 ( -0.269 -4.227 1.842) 4.619 2.407 ( 2.136 -3.293 -5.956) 7.133 2.641 ( -1.286 -0.206 1.368) 1.889 2.729 ( 0.451 -1.495 3.430) 3.769 2.897 ( -1.090 -2.311 -8.430) 8.809 3.029 ( -7.374 3.056 -2.718) 8.433 3.332 ( 0.556 -6.144 -0.148) 6.171 3.536 ( -5.454 1.149 -0.954) 5.655 3.614 ( 4.200 -1.026 5.744) 7.189 3.760 ( 2.520 -0.608 5.448) 6.033 4.017 ( -0.295 6.428 2.902) 7.058 4.442 ( 0.602 8.611 2.177) 8.902 4.506 ( 4.865 7.047 -1.216) 8.650 4.944 ( 0.917 -3.020 -2.697) 4.151 5.118 ( 1.053 2.562 -3.797) 4.700 5.600 ( 2.186 10.285 1.908) 10.686 6.447 ( -7.213 -6.173 2.370) 9.785 7.156 ( 3.855 5.723 0.794) 6.946 7.289 ( -0.226 0.860 -3.006) 3.135 7.597 ( 6.304 -9.640 -3.636) 12.078 8.059 ( -2.992 -15.519 -1.796) 15.906 8.540 ( 9.518 4.489 2.455) 10.806 8.703 ( 1.154 -9.658 11.696) 15.212 8.955 ( -4.674 1.061 9.104) 10.288 9.262 ( -2.285 0.253 -2.629) 3.492 9.339 ( -1.495 -1.176 -5.548) 5.865 9.954 ( -10.023 -18.833 0.202) 21.335 10.130 ( -0.084 -5.422 7.625) 9.356 11.171 ( -2.089 -14.466 14.815) 20.811 12.237 ( 4.516 6.618 5.254) 9.581 12.300 ( 0.354 -17.267 5.264) 18.055 13.004 ( -5.372 -7.355 0.363) 9.115 13.403 ( -0.864 -3.449 0.166) 3.560 13.504 ( -3.150 -0.430 5.313) 6.192 14.260 ( 2.497 25.825 0.854) 25.959 15.664 ( 2.683 -0.837 -5.721) 6.374 15.829 ( -4.384 -1.416 -6.505) 7.971 16.190 ( 4.232 5.793 -3.030) 7.788 19.867 ( -0.155 0.206 7.160) 7.165 20.825 ( 2.230 2.915 2.416) 4.394 21.163 ( -7.489 -10.583 -2.568) 13.217 23.113 ( 13.048 36.497 -16.117) 41.977 23.902 ( -2.695 -0.317 7.540) 8.013 25.090 ( -0.748 -2.936 -2.752) 4.093 ======================= Grid point 134 (51/155) ======================= q-point: ( 0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -3.202 3.553 0.683) 4.831 1.368 ( 3.607 -5.385 5.408) 8.441 1.514 ( -1.202 -10.794 4.938) 11.931 1.926 ( 0.933 6.894 -0.299) 6.963 2.392 ( -1.829 -4.097 -0.262) 4.494 2.476 ( 3.938 -3.574 -1.018) 5.415 2.603 ( -4.338 0.043 -2.948) 5.245 2.747 ( 2.010 1.399 2.627) 3.592 2.923 ( -2.878 1.974 -3.712) 5.095 3.013 ( -0.579 -6.891 -9.922) 12.094 3.350 ( -2.664 2.639 -3.192) 4.925 3.503 ( 1.987 1.532 -2.309) 3.410 3.728 ( 4.963 -6.238 9.378) 12.308 3.787 ( -0.494 -1.711 5.946) 6.207 3.922 ( -5.790 0.097 5.018) 7.662 4.290 ( 1.114 8.582 4.653) 9.825 4.397 ( 0.890 7.327 -1.401) 7.513 4.933 ( 3.532 3.776 -5.491) 7.542 5.118 ( -0.252 -0.654 -2.248) 2.355 5.460 ( 0.961 6.645 5.608) 8.748 6.525 ( -3.631 -5.564 -2.868) 7.236 7.055 ( 4.437 7.578 2.003) 9.007 7.260 ( -2.988 0.352 -1.002) 3.171 7.757 ( 1.585 -4.633 0.456) 4.918 8.284 ( 6.147 -5.397 -0.898) 8.229 8.497 ( 0.932 4.084 -4.587) 6.212 8.782 ( -1.862 0.091 9.887) 10.061 9.036 ( -2.722 -12.461 8.842) 15.519 9.266 ( -0.962 -2.056 -0.411) 2.306 9.324 ( -0.989 1.394 -4.421) 4.740 10.152 ( -2.597 -9.208 5.239) 10.908 10.218 ( -0.144 -3.952 4.759) 6.187 11.441 ( 0.377 -14.356 10.681) 17.898 11.950 ( 1.544 17.574 7.616) 19.215 12.801 ( 0.269 -28.004 0.591) 28.012 13.162 ( -0.552 -11.920 3.139) 12.339 13.382 ( -0.234 6.045 -1.705) 6.285 13.542 ( -3.428 -6.641 7.919) 10.889 13.806 ( 0.217 25.708 2.731) 25.853 15.698 ( 0.821 -1.784 -2.529) 3.202 15.841 ( -2.108 -2.001 -7.324) 7.880 16.096 ( 2.585 6.819 -4.755) 8.706 19.865 ( -0.066 -0.008 6.988) 6.988 20.788 ( 1.919 2.458 2.684) 4.114 21.303 ( -3.824 -9.348 -4.136) 10.914 22.588 ( 5.363 27.126 -10.608) 29.616 23.907 ( -1.480 -1.320 6.914) 7.193 25.120 ( -0.267 -0.984 -3.415) 3.564 ======================= Grid point 135 (52/155) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -4.607 9.845 3.851) 11.532 1.608 ( 4.042 -9.738 1.555) 10.658 1.707 ( -0.588 -10.814 3.168) 11.283 1.767 ( 0.685 9.589 1.369) 9.710 2.388 ( -1.268 2.653 -3.936) 4.913 2.571 ( 2.282 -1.533 -0.068) 2.750 2.640 ( -1.211 -6.496 -2.333) 7.008 2.699 ( 0.514 4.743 4.001) 6.226 2.917 ( -0.774 -3.967 -2.784) 4.908 3.091 ( -1.176 -0.232 -8.507) 8.591 3.332 ( 3.230 -2.583 -6.120) 7.386 3.436 ( -2.918 5.063 -2.771) 6.468 3.728 ( 0.403 4.695 3.058) 5.618 3.896 ( 4.550 -5.995 7.904) 10.914 3.993 ( -6.003 -8.114 3.157) 10.576 4.171 ( 0.774 3.703 5.186) 6.419 4.285 ( -0.782 3.561 0.707) 3.713 4.909 ( 5.891 1.888 -4.943) 7.918 5.077 ( -4.314 3.965 -4.691) 7.506 5.385 ( 0.331 1.459 9.610) 9.726 6.568 ( -1.880 -0.386 -1.090) 2.207 6.972 ( 1.397 2.323 1.203) 2.966 7.259 ( -1.182 -1.572 0.538) 2.039 7.770 ( 0.109 4.194 4.479) 6.136 8.294 ( 5.610 6.721 -1.228) 8.840 8.396 ( -5.304 4.423 4.772) 8.395 8.824 ( 0.101 -4.448 4.028) 6.002 9.186 ( -0.939 -0.368 -8.237) 8.299 9.309 ( 2.080 -3.338 2.256) 4.534 9.331 ( -1.180 -4.543 2.782) 5.456 10.261 ( 0.153 -3.087 7.098) 7.742 10.263 ( 0.110 -1.346 3.021) 3.309 11.657 ( 0.392 13.194 9.092) 16.028 11.676 ( -0.120 -9.889 9.213) 13.516 13.201 ( -0.084 16.639 -2.909) 16.892 13.234 ( 0.228 -16.551 -2.390) 16.724 13.373 ( 0.101 16.643 6.548) 17.885 13.419 ( 0.234 -16.348 5.382) 17.212 13.660 ( -0.838 -7.531 6.477) 9.969 15.732 ( 0.144 -1.203 -0.439) 1.288 15.872 ( -0.706 -2.471 -7.301) 7.740 15.992 ( 0.913 5.288 -6.756) 8.628 19.865 ( -0.041 0.004 6.838) 6.838 20.766 ( 0.872 0.833 2.977) 3.212 21.462 ( -0.371 -10.157 -5.836) 11.720 22.235 ( 0.081 13.906 -7.165) 15.644 23.923 ( -0.497 -0.949 6.559) 6.646 25.130 ( -0.009 -0.456 -3.790) 3.818 ======================= Grid point 136 (53/155) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.000 1.611 2.146) 2.684 1.475 ( -0.000 16.389 -0.500) 16.396 1.823 ( 0.000 -5.129 3.485) 6.201 1.885 ( 0.000 -8.660 1.451) 8.781 2.318 ( -0.000 3.949 -5.081) 6.435 2.549 ( -0.000 3.396 1.034) 3.550 2.572 ( -0.000 8.560 6.677) 10.856 2.760 ( 0.000 -3.957 -5.978) 7.169 3.021 ( 0.000 -4.749 -6.194) 7.805 3.063 ( -0.000 0.158 0.911) 0.925 3.305 ( -0.000 4.040 -2.395) 4.697 3.478 ( 0.000 -8.510 -10.896) 13.826 3.641 ( -0.000 4.503 5.160) 6.848 3.976 ( 0.000 -1.218 0.687) 1.398 4.010 ( -0.000 2.229 3.725) 4.341 4.226 ( 0.000 -6.571 -0.092) 6.572 4.297 ( 0.000 -4.728 3.215) 5.717 4.928 ( 0.000 -0.759 -2.033) 2.170 4.963 ( -0.000 4.785 -6.627) 8.174 5.429 ( 0.000 -6.507 11.132) 12.895 6.524 ( -0.000 3.051 5.702) 6.467 7.012 ( 0.000 -5.754 -0.722) 5.800 7.280 ( 0.000 -0.117 -0.521) 0.534 7.605 ( -0.000 13.229 3.536) 13.693 8.218 ( -0.000 1.935 4.569) 4.962 8.283 ( -0.000 6.308 10.189) 11.984 8.897 ( 0.000 -3.201 3.575) 4.799 9.053 ( -0.000 12.424 -10.355) 16.173 9.362 ( 0.000 -0.796 -0.719) 1.073 9.433 ( 0.000 -4.814 0.373) 4.829 10.249 ( -0.000 4.411 8.652) 9.711 10.284 ( 0.000 -1.229 -0.124) 1.236 11.412 ( -0.000 12.215 10.296) 15.975 11.883 ( 0.000 -11.388 8.064) 13.954 12.759 ( -0.000 27.323 0.745) 27.333 13.209 ( -0.000 4.567 4.080) 6.124 13.399 ( 0.000 -3.415 -0.949) 3.545 13.770 ( 0.000 -19.366 3.620) 19.702 13.795 ( 0.000 -7.207 5.251) 8.917 15.713 ( -0.000 3.890 -2.053) 4.399 15.915 ( 0.000 -2.461 -6.703) 7.140 15.952 ( 0.000 -0.905 -5.583) 5.656 19.866 ( 0.000 -0.165 6.693) 6.695 20.774 ( 0.000 -1.536 3.218) 3.565 21.670 ( 0.000 -12.686 -8.837) 15.461 22.080 ( -0.000 3.347 -5.582) 6.509 23.931 ( 0.000 -0.103 7.046) 7.047 25.136 ( 0.000 -0.014 -3.982) 3.983 ======================= Grid point 141 (54/155) ======================= q-point: ( 0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 15.350 0.000 9.395) 17.997 1.017 ( 15.626 0.000 6.709) 17.005 1.431 ( 26.730 0.000 8.972) 28.196 1.876 ( 1.448 0.000 -0.759) 1.635 2.120 ( -5.916 -0.000 2.407) 6.387 2.176 ( -3.001 -0.000 0.103) 3.003 2.630 ( 2.187 0.000 2.766) 3.526 2.695 ( -2.934 -0.000 3.745) 4.758 2.946 ( -2.450 -0.000 -0.983) 2.640 2.988 ( 2.793 0.000 -2.454) 3.718 3.311 ( -13.250 -0.000 0.385) 13.255 3.416 ( -7.054 -0.000 5.219) 8.775 3.679 ( -1.211 -0.000 -1.196) 1.702 3.760 ( -2.387 -0.000 -5.028) 5.566 4.537 ( 4.540 0.000 -5.805) 7.370 4.553 ( 14.200 0.000 -5.418) 15.198 4.760 ( 1.060 0.000 -0.735) 1.290 4.854 ( 3.955 0.000 -12.538) 13.147 5.094 ( -1.802 -0.000 -9.740) 9.905 6.295 ( 5.118 0.000 -9.758) 11.019 6.542 ( -2.915 -0.000 15.197) 15.474 6.782 ( -7.082 -0.000 8.445) 11.022 7.090 ( -9.200 -0.000 -1.210) 9.279 7.210 ( -4.673 -0.000 12.899) 13.719 7.833 ( -5.034 -0.000 1.875) 5.372 8.027 ( -9.643 -0.000 0.016) 9.643 8.300 ( 2.118 0.000 22.333) 22.434 8.750 ( 10.252 0.000 -3.879) 10.961 9.152 ( 3.250 0.000 5.637) 6.507 9.219 ( -7.095 -0.000 -5.515) 8.986 9.414 ( -1.554 -0.000 1.300) 2.026 9.929 ( 3.341 0.000 13.686) 14.088 10.992 ( -8.120 -0.000 23.275) 24.651 11.398 ( -0.852 -0.000 12.645) 12.674 12.695 ( 1.536 0.000 -3.738) 4.041 12.963 ( -0.702 -0.000 6.842) 6.878 13.335 ( 0.609 0.000 -5.340) 5.374 13.449 ( 0.019 0.000 -1.477) 1.477 15.222 ( 1.390 0.000 -7.862) 7.984 15.704 ( -7.959 -0.000 -5.593) 9.728 16.150 ( 11.709 0.000 -35.090) 36.993 16.258 ( 5.260 0.000 -1.127) 5.379 20.094 ( -1.014 -0.000 3.060) 3.223 20.182 ( -9.765 -0.000 27.295) 28.989 20.991 ( 0.627 0.000 2.221) 2.307 23.770 ( 3.103 0.000 7.200) 7.840 24.821 ( 9.871 0.000 -41.078) 42.248 24.847 ( 0.150 0.000 1.257) 1.266 ======================= Grid point 142 (55/155) ======================= q-point: ( 0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 10.927 -2.873 5.746) 12.676 1.143 ( 14.443 -2.895 5.815) 15.837 1.540 ( 12.243 3.914 5.139) 13.842 1.946 ( 2.833 -3.854 -0.623) 4.824 2.114 ( -2.099 -5.170 -1.087) 5.685 2.238 ( -4.479 -5.934 0.106) 7.435 2.633 ( 1.137 0.290 2.724) 2.966 2.667 ( 0.020 0.299 3.597) 3.610 2.966 ( -1.079 0.632 -1.869) 2.248 3.006 ( -0.363 -2.261 0.257) 2.305 3.187 ( -10.118 1.113 -0.446) 10.189 3.428 ( -8.980 -4.551 5.310) 11.382 3.671 ( 2.191 0.275 -1.906) 2.917 3.749 ( 0.966 0.314 -1.172) 1.551 4.426 ( 6.964 14.141 -9.156) 18.229 4.627 ( 0.761 -2.749 -2.593) 3.855 4.698 ( -0.988 4.279 -1.441) 4.622 4.910 ( 9.492 5.118 -7.431) 13.096 5.122 ( 2.818 -5.033 -5.561) 8.013 6.100 ( 2.255 15.686 -1.887) 15.960 6.371 ( -13.641 10.198 22.050) 27.862 6.883 ( 1.602 -15.911 -10.636) 19.205 7.064 ( -2.403 -10.304 -3.453) 11.130 7.490 ( 4.344 -4.665 3.865) 7.454 7.810 ( -7.107 3.100 9.680) 12.402 8.279 ( -6.395 -29.609 0.359) 30.294 8.416 ( -6.587 -19.970 17.295) 27.227 8.830 ( 8.476 -2.349 -2.418) 9.122 9.046 ( 0.738 5.978 -0.036) 6.023 9.275 ( -3.292 -3.461 -1.197) 4.924 9.389 ( -2.384 0.948 -1.534) 2.989 9.975 ( 2.232 -2.766 13.139) 13.612 10.945 ( -5.914 -0.201 21.642) 22.436 11.506 ( -0.587 -12.295 11.329) 16.729 12.691 ( 4.550 2.768 -1.192) 5.458 12.913 ( -4.305 3.436 3.721) 6.647 13.355 ( 0.605 -0.469 -4.753) 4.814 13.443 ( -0.264 -0.618 0.580) 0.888 15.119 ( 2.432 14.032 -6.456) 15.636 15.659 ( -3.900 -0.282 -7.380) 8.352 15.990 ( 4.622 15.347 -18.459) 24.446 16.310 ( 4.729 0.469 -3.161) 5.707 19.927 ( -0.958 5.114 10.355) 11.588 20.494 ( -6.856 -23.345 8.781) 25.866 20.977 ( 0.183 1.741 2.186) 2.801 23.790 ( 2.368 -0.158 8.016) 8.360 24.577 ( 8.937 29.121 -31.960) 44.151 24.909 ( -0.972 -5.079 -0.519) 5.197 ======================= Grid point 143 (56/155) ======================= q-point: ( 0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 4.195 -7.606 1.552) 8.823 1.259 ( 13.510 1.304 6.620) 15.101 1.489 ( -3.456 2.183 2.399) 4.740 1.993 ( -0.554 -1.227 2.037) 2.441 2.240 ( 0.966 -5.366 -0.233) 5.457 2.319 ( -0.909 -6.726 -7.048) 9.784 2.641 ( 0.818 0.320 4.586) 4.670 2.681 ( -2.100 -1.735 1.907) 3.325 2.909 ( -0.083 2.714 -3.317) 4.287 3.002 ( -6.767 -0.511 -0.416) 6.799 3.231 ( 2.648 -6.027 0.432) 6.598 3.435 ( -8.976 -3.050 5.481) 10.950 3.689 ( 5.024 1.149 -1.722) 5.434 3.767 ( 1.516 -0.676 3.926) 4.263 4.201 ( 2.899 12.786 -3.557) 13.584 4.584 ( -0.138 6.957 0.380) 6.969 4.649 ( 1.564 3.353 -2.463) 4.445 4.897 ( 6.212 -0.517 -3.599) 7.198 5.162 ( -0.867 2.100 -2.478) 3.362 5.839 ( 2.451 14.368 -0.741) 14.594 6.273 ( -9.544 -5.972 10.576) 15.447 7.139 ( 1.969 -9.626 -11.242) 14.930 7.279 ( -0.885 -8.018 -2.001) 8.311 7.529 ( 8.629 -0.922 0.372) 8.686 7.766 ( -8.118 -7.229 2.265) 11.103 8.487 ( 1.301 -8.767 16.291) 18.545 8.749 ( 8.405 2.240 5.987) 10.560 8.967 ( -4.176 2.027 -0.642) 4.686 9.199 ( -0.106 -26.623 -3.566) 26.861 9.274 ( -1.610 0.082 -1.288) 2.063 9.414 ( -10.838 -14.929 -2.616) 18.633 10.045 ( 0.671 -3.989 10.957) 11.680 10.959 ( -3.466 -6.076 19.324) 20.551 11.819 ( -0.333 -22.428 8.875) 24.123 12.587 ( 6.273 14.288 4.013) 16.112 12.860 ( -6.542 -3.630 -1.036) 7.553 13.354 ( -0.077 -0.553 0.065) 0.562 13.478 ( -0.428 -2.120 1.023) 2.392 14.754 ( 2.689 26.136 -2.598) 26.402 15.676 ( 1.867 -1.655 -8.217) 8.588 15.807 ( -2.619 4.959 -8.156) 9.898 16.299 ( 3.131 3.497 -2.163) 5.169 19.876 ( -0.253 1.102 7.894) 7.975 20.818 ( -0.818 -13.141 1.433) 13.244 20.947 ( -3.325 -1.273 1.767) 3.975 23.779 ( 8.183 9.972 -0.812) 12.926 24.004 ( -0.243 30.291 -14.809) 33.718 25.007 ( -0.705 -5.596 -1.173) 5.761 ======================= Grid point 144 (57/155) ======================= q-point: ( 0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 5.461 -5.757 1.208) 8.026 1.299 ( 1.122 -4.342 5.625) 7.194 1.440 ( -3.946 2.128 3.828) 5.895 1.996 ( -0.187 0.896 0.478) 1.033 2.307 ( -0.151 -3.653 2.405) 4.376 2.436 ( 1.942 -4.176 -5.661) 7.298 2.601 ( -3.460 2.162 -2.149) 4.611 2.730 ( 0.124 -4.096 2.227) 4.664 2.906 ( 1.681 -1.885 -5.637) 6.177 2.962 ( -3.351 1.763 -2.015) 4.289 3.339 ( 0.857 -2.801 -1.189) 3.162 3.458 ( -4.517 -5.222 3.420) 7.705 3.700 ( 6.665 0.657 4.047) 7.825 3.765 ( -2.102 0.127 7.237) 7.538 4.012 ( -0.372 9.659 2.019) 9.875 4.450 ( 0.481 8.086 2.461) 8.466 4.554 ( 2.112 8.055 -2.318) 8.644 4.955 ( 0.605 -1.629 -4.313) 4.650 5.116 ( -0.584 0.468 -1.946) 2.085 5.624 ( 1.188 10.874 2.130) 11.144 6.377 ( -3.127 -8.376 1.849) 9.130 7.212 ( 4.590 3.468 -2.059) 6.110 7.266 ( -3.195 3.467 -2.435) 5.306 7.655 ( 2.418 -6.754 -2.604) 7.632 8.027 ( -1.581 -20.963 -4.510) 21.501 8.629 ( 3.224 0.517 -3.717) 4.948 8.756 ( 7.438 -2.239 17.245) 18.913 8.870 ( -8.199 1.118 10.909) 13.692 9.238 ( -1.147 0.269 -1.652) 2.029 9.336 ( 0.371 -0.024 -5.782) 5.794 9.856 ( -4.492 -23.461 1.331) 23.924 10.131 ( 0.065 -5.176 7.573) 9.173 11.151 ( -0.873 -16.139 14.812) 21.923 12.278 ( 1.701 -17.940 5.021) 18.707 12.304 ( 0.215 8.635 5.555) 10.270 12.955 ( -2.129 -9.442 0.418) 9.688 13.394 ( -0.466 -3.690 1.841) 4.150 13.483 ( -0.574 1.212 3.039) 3.322 14.282 ( 0.929 26.876 0.741) 26.902 15.699 ( 2.424 0.990 -5.096) 5.729 15.778 ( -3.049 -3.080 -7.398) 8.574 16.228 ( 1.540 5.952 -2.962) 6.824 19.866 ( -0.061 0.144 7.150) 7.152 20.854 ( 1.716 3.402 2.393) 4.500 21.093 ( -3.127 -11.925 -2.429) 12.565 23.230 ( 4.848 39.374 -16.830) 43.094 23.870 ( -1.679 -1.542 8.095) 8.410 25.083 ( -0.272 -3.109 -2.499) 3.998 ======================= Grid point 145 (58/155) ======================= q-point: ( 0.70 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.000 10.272 1.883) 10.443 1.406 ( 0.000 -10.771 5.471) 12.080 1.504 ( 0.000 -10.886 4.397) 11.741 1.933 ( -0.000 6.612 -0.580) 6.637 2.380 ( 0.000 -3.464 -1.011) 3.608 2.517 ( 0.000 -5.043 -1.118) 5.165 2.560 ( -0.000 0.304 -1.709) 1.736 2.761 ( -0.000 1.315 2.452) 2.783 2.902 ( -0.000 2.186 -1.700) 2.769 3.010 ( 0.000 -7.294 -12.271) 14.275 3.331 ( -0.000 2.012 -2.907) 3.535 3.512 ( -0.000 0.931 -1.819) 2.043 3.771 ( 0.000 -5.423 6.108) 8.168 3.802 ( 0.000 -5.565 13.988) 15.054 3.859 ( -0.000 4.914 0.325) 4.925 4.298 ( -0.000 8.616 4.729) 9.828 4.402 ( -0.000 8.642 -1.598) 8.789 4.957 ( -0.000 1.224 -4.180) 4.356 5.117 ( -0.000 0.965 -3.517) 3.647 5.466 ( -0.000 6.958 5.789) 9.051 6.500 ( 0.000 -5.923 -3.450) 6.855 7.091 ( -0.000 8.845 2.001) 9.069 7.234 ( 0.000 -0.403 -0.592) 0.716 7.766 ( 0.000 -3.993 1.049) 4.129 8.328 ( 0.000 -9.989 -3.437) 10.564 8.503 ( -0.000 10.913 -9.910) 14.741 8.768 ( 0.000 -0.492 15.942) 15.949 9.017 ( 0.000 -13.395 9.370) 16.347 9.259 ( 0.000 -2.902 0.606) 2.965 9.320 ( -0.000 1.509 -5.580) 5.780 10.135 ( 0.000 -10.773 5.819) 12.244 10.217 ( 0.000 -3.933 4.626) 6.072 11.444 ( 0.000 -14.785 10.644) 18.217 11.961 ( -0.000 18.324 7.502) 19.800 12.803 ( 0.000 -28.132 0.667) 28.139 13.158 ( 0.000 -13.267 2.949) 13.590 13.380 ( -0.000 6.196 -1.733) 6.434 13.520 ( 0.000 -6.635 8.073) 10.450 13.808 ( -0.000 26.259 2.742) 26.402 15.705 ( 0.000 -1.138 -2.305) 2.571 15.826 ( 0.000 -2.674 -7.719) 8.169 16.113 ( -0.000 7.047 -4.682) 8.461 19.865 ( 0.000 -0.011 6.979) 6.979 20.802 ( -0.000 2.672 2.680) 3.784 21.277 ( 0.000 -10.015 -4.078) 10.814 22.623 ( -0.000 28.523 -10.883) 30.528 23.897 ( 0.000 -1.645 7.086) 7.274 25.118 ( 0.000 -1.078 -3.350) 3.519 ======================= Grid point 153 (59/155) ======================= q-point: ( 0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 9.999 0.000 8.565) 13.166 1.172 ( 8.221 0.000 5.020) 9.633 1.723 ( 17.556 0.000 3.835) 17.970 1.909 ( 3.445 0.000 -1.937) 3.952 2.060 ( -2.856 -0.000 2.591) 3.856 2.136 ( -3.197 -0.000 -0.518) 3.239 2.652 ( 0.698 0.000 -1.187) 1.377 2.653 ( -2.986 -0.000 4.322) 5.253 2.935 ( 1.096 0.000 1.473) 1.836 3.034 ( 3.989 0.000 -1.604) 4.299 3.125 ( -14.097 -0.000 2.728) 14.359 3.307 ( -8.568 -0.000 2.282) 8.866 3.681 ( 0.669 0.000 -1.381) 1.535 3.758 ( 1.130 0.000 -0.904) 1.447 4.578 ( 2.099 0.000 -3.634) 4.196 4.683 ( 4.542 0.000 -7.339) 8.631 4.792 ( 4.807 0.000 -1.184) 4.950 4.891 ( 1.750 0.000 -16.215) 16.309 5.078 ( -0.697 -0.000 -9.919) 9.944 6.344 ( 2.443 0.000 -11.626) 11.880 6.502 ( -2.986 -0.000 32.256) 32.394 6.712 ( -3.582 -0.000 -0.909) 3.695 7.007 ( -3.846 -0.000 3.309) 5.073 7.166 ( -2.281 -0.000 9.225) 9.503 7.774 ( -3.808 -0.000 4.252) 5.708 7.920 ( -6.471 -0.000 -2.090) 6.800 8.322 ( 1.309 0.000 23.618) 23.654 8.873 ( 8.846 0.000 -8.106) 11.999 9.126 ( -7.191 -0.000 -2.980) 7.784 9.204 ( 3.693 0.000 -0.623) 3.745 9.403 ( -0.250 -0.000 0.047) 0.254 9.963 ( 1.915 0.000 13.810) 13.942 10.913 ( -4.257 -0.000 21.597) 22.012 11.392 ( -0.160 -0.000 11.899) 11.900 12.711 ( 0.937 0.000 -3.813) 3.927 12.953 ( -0.677 -0.000 7.425) 7.456 13.342 ( 0.376 0.000 -5.406) 5.419 13.453 ( 0.332 0.000 -2.575) 2.596 15.244 ( 1.886 0.000 -6.614) 6.877 15.615 ( -5.640 -0.000 -7.068) 9.042 16.247 ( 4.389 0.000 -30.301) 30.618 16.311 ( 2.942 0.000 -0.848) 3.062 20.083 ( -0.588 -0.000 2.885) 2.944 20.102 ( -3.556 -0.000 23.494) 23.762 20.998 ( 0.351 0.000 2.070) 2.100 23.794 ( 0.956 0.000 10.737) 10.780 24.849 ( 0.092 0.000 1.408) 1.411 24.902 ( 3.616 0.000 -37.611) 37.784 ======================= Grid point 154 (60/155) ======================= q-point: ( 0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 4.167 -0.358 5.487) 6.900 1.270 ( 5.005 -5.329 3.860) 8.267 1.650 ( 4.579 12.409 3.502) 13.682 1.978 ( 1.589 -0.855 3.295) 3.757 2.120 ( 2.461 -8.161 -5.374) 10.076 2.181 ( -4.010 -5.779 0.273) 7.039 2.644 ( 0.988 -0.711 3.308) 3.525 2.661 ( -1.190 -0.172 1.019) 1.577 2.948 ( -0.275 0.633 0.169) 0.711 2.975 ( -3.986 3.175 0.898) 5.174 3.137 ( 1.216 -5.939 1.504) 6.247 3.318 ( -6.346 -4.447 2.039) 8.013 3.697 ( 1.268 -1.423 -1.500) 2.425 3.768 ( 1.142 -0.210 1.726) 2.080 4.489 ( 2.698 16.784 -10.771) 20.124 4.625 ( -0.458 -2.805 -3.022) 4.149 4.687 ( -0.532 4.453 -1.034) 4.602 5.010 ( 4.861 4.730 -8.454) 10.839 5.145 ( 0.676 -7.211 -6.295) 9.595 6.132 ( 2.761 16.155 -2.197) 16.536 6.233 ( -7.315 11.864 22.561) 26.519 6.901 ( 0.961 -16.084 -11.925) 20.046 7.034 ( -1.652 -11.717 -1.621) 11.943 7.559 ( 5.475 -9.254 9.197) 14.149 7.717 ( -6.471 3.609 6.812) 10.065 8.193 ( -4.464 -42.139 -0.867) 42.384 8.377 ( -0.887 -5.643 23.073) 23.769 8.936 ( 7.204 -0.513 -7.889) 10.696 9.031 ( -3.547 3.455 -0.366) 4.965 9.257 ( 0.026 -1.844 -1.753) 2.544 9.367 ( -1.073 2.929 -1.598) 3.505 9.995 ( 0.813 -2.270 13.108) 13.328 10.892 ( -2.157 -0.417 20.699) 20.815 11.502 ( -0.133 -12.165 11.177) 16.520 12.734 ( 1.988 -1.622 -2.790) 3.791 12.872 ( -1.893 8.003 5.706) 10.009 13.361 ( 0.234 -0.434 -4.931) 4.956 13.443 ( 0.038 -0.234 -0.228) 0.328 15.143 ( 1.104 13.521 -5.556) 14.660 15.616 ( -2.114 -3.126 -7.788) 8.654 16.031 ( 1.645 17.707 -17.725) 25.109 16.351 ( 1.627 0.509 -3.129) 3.563 19.919 ( -0.322 4.631 10.102) 11.118 20.441 ( -1.860 -22.762 7.984) 24.194 20.979 ( 0.073 2.166 2.083) 3.006 23.807 ( 0.583 -0.928 10.752) 10.808 24.647 ( 2.575 28.366 -32.820) 43.456 24.900 ( -0.363 -5.013 0.546) 5.056 ======================= Grid point 155 (61/155) ======================= q-point: ( 0.60 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 0.000 -6.525 1.137) 6.623 1.391 ( 0.000 -4.977 2.419) 5.534 1.426 ( -0.000 11.541 6.710) 13.350 1.989 ( 0.000 -0.742 2.784) 2.881 2.248 ( 0.000 -3.674 3.623) 5.160 2.314 ( 0.000 -9.769 -11.822) 15.336 2.632 ( -0.000 2.151 -3.217) 3.870 2.671 ( 0.000 -1.663 8.377) 8.541 2.916 ( -0.000 1.503 -2.305) 2.751 2.955 ( 0.000 -0.794 -0.520) 0.949 3.265 ( 0.000 -6.172 1.639) 6.386 3.358 ( 0.000 -3.142 4.148) 5.203 3.735 ( 0.000 -1.182 -2.301) 2.587 3.766 ( -0.000 0.985 6.078) 6.157 4.222 ( -0.000 13.462 -3.291) 13.858 4.583 ( -0.000 6.679 0.294) 6.685 4.655 ( -0.000 1.213 -2.809) 3.060 4.951 ( -0.000 2.020 -6.447) 6.756 5.146 ( -0.000 3.498 0.237) 3.506 5.860 ( -0.000 14.670 -0.983) 14.703 6.206 ( 0.000 -7.799 10.241) 12.873 7.154 ( 0.000 -9.982 -12.833) 16.258 7.270 ( 0.000 -8.523 -2.146) 8.789 7.613 ( -0.000 1.883 2.087) 2.811 7.685 ( 0.000 -10.318 1.521) 10.429 8.496 ( 0.000 -8.834 18.692) 20.675 8.816 ( 0.000 -5.915 10.193) 11.784 8.921 ( -0.000 5.973 -7.202) 9.357 9.214 ( 0.000 -31.995 -1.501) 32.031 9.265 ( 0.000 -5.685 -0.005) 5.685 9.332 ( 0.000 -0.128 -4.694) 4.696 10.050 ( 0.000 -3.676 10.875) 11.479 10.936 ( 0.000 -6.502 19.003) 20.085 11.817 ( 0.000 -22.493 8.919) 24.196 12.633 ( -0.000 16.417 4.762) 17.093 12.812 ( 0.000 -5.552 -1.639) 5.789 13.354 ( 0.000 -0.250 0.102) 0.270 13.475 ( 0.000 -1.958 0.388) 1.997 14.772 ( -0.000 26.127 -2.532) 26.250 15.687 ( 0.000 -4.785 -7.895) 9.232 15.791 ( -0.000 8.319 -8.685) 12.027 16.319 ( -0.000 3.528 -2.100) 4.105 19.874 ( -0.000 1.028 7.832) 7.900 20.814 ( 0.000 -18.199 0.985) 18.226 20.926 ( -0.000 3.545 2.221) 4.183 23.833 ( 0.000 -1.627 9.715) 9.851 23.999 ( -0.000 41.904 -25.034) 48.812 25.002 ( 0.000 -5.621 -0.960) 5.702 ======================= Grid point 166 (62/155) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 0.000 0.000 9.094) 9.094 1.224 ( 0.000 0.000 4.676) 4.676 1.838 ( 0.000 0.000 -1.406) 1.406 1.939 ( 0.000 0.000 -3.774) 3.774 2.049 ( -0.000 0.000 6.166) 6.166 2.109 ( 0.000 0.000 0.466) 0.466 2.632 ( 0.000 0.000 4.511) 4.511 2.652 ( 0.000 0.000 -3.676) 3.676 2.985 ( 0.000 0.000 6.030) 6.030 2.986 ( -0.000 -0.000 0.723) 0.723 3.069 ( 0.000 0.000 -0.453) 0.453 3.241 ( 0.000 0.000 0.478) 0.478 3.686 ( -0.000 0.000 -1.434) 1.434 3.768 ( 0.000 0.000 0.793) 0.793 4.592 ( -0.000 0.000 -3.163) 3.163 4.702 ( 0.000 0.000 -6.096) 6.096 4.835 ( 0.000 0.000 -3.908) 3.908 4.901 ( -0.000 0.000 -17.272) 17.272 5.074 ( 0.000 0.000 -9.894) 9.894 6.359 ( 0.000 0.000 -12.079) 12.079 6.480 ( -0.000 0.000 39.740) 39.740 6.690 ( 0.000 0.000 -5.971) 5.971 6.985 ( -0.000 0.000 5.306) 5.306 7.151 ( -0.000 0.000 7.894) 7.894 7.748 ( 0.000 0.000 5.378) 5.378 7.877 ( -0.000 0.000 -3.365) 3.365 8.331 ( 0.000 0.000 24.099) 24.099 8.949 ( -0.000 0.000 -14.595) 14.595 9.061 ( 0.000 0.000 2.934) 2.934 9.229 ( 0.000 0.000 -2.619) 2.619 9.403 ( -0.000 0.000 -0.357) 0.357 9.976 ( 0.000 0.000 13.866) 13.866 10.886 ( 0.000 0.000 21.192) 21.192 11.392 ( 0.000 0.000 11.815) 11.815 12.717 ( 0.000 0.000 -3.841) 3.841 12.948 ( 0.000 0.000 7.524) 7.524 13.344 ( 0.000 0.000 -5.431) 5.431 13.455 ( -0.000 0.000 -2.816) 2.816 15.259 ( -0.000 0.000 -5.851) 5.851 15.576 ( 0.000 0.000 -7.915) 7.915 16.273 ( 0.000 0.000 -28.818) 28.818 16.331 ( 0.000 0.000 -0.741) 0.741 20.080 ( 0.000 0.000 2.821) 2.821 20.081 ( 0.000 0.000 22.360) 22.360 21.000 ( 0.000 0.000 2.011) 2.011 23.799 ( 0.000 0.000 11.609) 11.609 24.849 ( 0.000 0.000 1.465) 1.465 24.924 ( 0.000 0.000 -36.434) 36.434 ======================= Grid point 214 (63/155) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 0.000 0.000 9.165) 9.165 0.874 ( 0.000 0.000 20.249) 20.249 1.412 ( 0.000 0.000 25.748) 25.748 1.808 ( 0.000 0.000 -4.459) 4.459 2.286 ( 0.000 0.000 2.731) 2.731 2.424 ( 0.000 0.000 8.957) 8.957 2.612 ( 0.000 0.000 -7.280) 7.280 2.725 ( 0.000 0.000 -1.998) 1.998 3.020 ( 0.000 0.000 1.880) 1.880 3.130 ( 0.000 0.000 -6.991) 6.991 3.347 ( 0.000 0.000 3.376) 3.376 3.639 ( 0.000 0.000 -2.227) 2.227 3.663 ( 0.000 0.000 5.195) 5.195 3.984 ( 0.000 0.000 0.523) 0.523 4.124 ( 0.000 0.000 10.967) 10.967 4.266 ( 0.000 0.000 -2.275) 2.275 4.527 ( 0.000 0.000 -8.216) 8.216 4.672 ( 0.000 0.000 -5.862) 5.862 5.036 ( 0.000 0.000 -9.531) 9.531 6.041 ( 0.000 0.000 -6.007) 6.007 6.563 ( 0.000 0.000 -2.608) 2.608 6.904 ( 0.000 0.000 -2.555) 2.555 7.208 ( 0.000 0.000 -13.807) 13.807 7.520 ( 0.000 0.000 11.620) 11.620 7.712 ( 0.000 0.000 -13.996) 13.996 8.446 ( 0.000 0.000 8.094) 8.094 8.493 ( 0.000 0.000 0.904) 0.904 8.696 ( 0.000 0.000 21.959) 21.959 9.219 ( 0.000 0.000 -7.411) 7.411 9.488 ( 0.000 0.000 9.678) 9.678 9.678 ( 0.000 0.000 -4.203) 4.203 10.184 ( 0.000 0.000 20.102) 20.102 11.449 ( 0.000 0.000 7.198) 7.198 12.459 ( 0.000 0.000 9.285) 9.285 12.543 ( 0.000 0.000 -7.172) 7.172 12.875 ( 0.000 0.000 13.306) 13.306 13.168 ( 0.000 0.000 -9.411) 9.411 14.283 ( 0.000 0.000 22.456) 22.456 14.532 ( 0.000 0.000 4.660) 4.660 14.951 ( 0.000 0.000 -15.992) 15.992 15.846 ( 0.000 0.000 -8.523) 8.523 15.974 ( 0.000 0.000 -5.130) 5.130 20.230 ( 0.000 0.000 6.765) 6.765 21.051 ( 0.000 0.000 5.210) 5.210 21.606 ( 0.000 0.000 -16.293) 16.293 22.104 ( 0.000 0.000 -11.182) 11.182 24.369 ( 0.000 0.000 10.576) 10.576 24.862 ( 0.000 0.000 0.876) 0.876 ======================= Grid point 215 (64/155) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 3.169 -6.687 7.544) 10.568 0.988 ( 2.801 -4.140 19.398) 20.032 1.408 ( 0.875 -7.416 23.079) 24.257 1.829 ( 0.229 -2.219 -4.936) 5.417 2.261 ( 0.155 2.709 0.739) 2.812 2.413 ( -2.121 -0.098 6.567) 6.902 2.621 ( 3.098 1.003 -5.067) 6.023 2.735 ( -1.671 -0.919 -0.337) 1.937 2.914 ( 0.323 5.530 0.938) 5.618 3.194 ( -5.285 -1.566 -1.546) 5.725 3.258 ( 4.643 2.926 -1.017) 5.582 3.621 ( -7.099 -0.062 1.782) 7.319 3.725 ( 5.562 -0.459 1.915) 5.900 3.941 ( -3.947 1.779 3.266) 5.423 4.118 ( 0.686 2.581 5.349) 5.978 4.289 ( 3.614 -1.639 -2.477) 4.678 4.518 ( 3.108 2.276 -6.430) 7.496 4.704 ( -0.803 -3.355 -5.700) 6.663 5.023 ( -1.180 0.365 -5.676) 5.809 5.992 ( -0.546 4.870 -4.482) 6.641 6.733 ( -3.538 -12.092 -5.573) 13.777 6.833 ( 7.109 3.522 -2.309) 8.263 7.176 ( -11.546 6.224 1.420) 13.193 7.322 ( 8.004 0.362 -4.513) 9.195 8.108 ( 0.141 -19.753 -7.421) 21.101 8.288 ( -1.608 8.918 11.079) 14.313 8.536 ( 1.302 -4.547 -1.353) 4.919 8.891 ( 0.736 -14.472 14.212) 20.297 9.211 ( -1.245 -0.563 -4.990) 5.174 9.429 ( -0.389 5.475 10.650) 11.981 9.710 ( -5.525 -6.272 -6.353) 10.499 10.227 ( 0.620 -4.074 19.365) 19.799 11.497 ( -1.111 -4.598 7.592) 8.945 12.263 ( -7.645 13.359 16.090) 22.267 12.459 ( 5.002 3.448 6.777) 9.102 13.031 ( -1.059 -8.434 1.398) 8.614 13.200 ( 0.546 -3.315 -8.206) 8.867 14.134 ( -24.443 0.745 18.250) 30.513 14.592 ( 21.969 8.504 2.230) 23.663 15.079 ( 4.654 -10.390 -14.296) 18.275 15.828 ( -3.767 0.189 -9.037) 9.793 15.996 ( 3.693 -0.170 -5.812) 6.889 20.166 ( -0.504 5.285 8.883) 10.349 21.031 ( -0.049 2.211 5.397) 5.832 21.511 ( -34.591 -4.826 -13.095) 37.300 22.244 ( 41.313 4.791 -19.464) 45.919 24.298 ( -0.427 5.894 12.581) 13.900 24.917 ( -0.071 -4.693 -0.683) 4.743 ======================= Grid point 216 (65/155) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 2.863 -5.207 7.096) 9.255 1.073 ( 5.938 -6.315 14.966) 17.295 1.669 ( -4.322 -15.294 10.680) 19.148 1.895 ( 1.747 -4.858 -5.375) 7.453 2.207 ( 0.164 3.046 -1.576) 3.434 2.405 ( -2.421 -0.516 3.186) 4.035 2.608 ( 5.621 2.375 -0.580) 6.130 2.726 ( -2.303 0.301 -0.468) 2.369 2.890 ( 2.856 -1.179 1.208) 3.318 3.175 ( 1.677 0.994 1.752) 2.621 3.255 ( -1.839 0.906 -6.425) 6.744 3.563 ( -6.200 2.177 -1.266) 6.692 3.727 ( 4.453 2.220 5.420) 7.358 3.883 ( -8.590 0.425 4.944) 9.921 4.068 ( 0.795 1.524 2.442) 2.986 4.350 ( 9.620 0.248 -2.618) 9.973 4.485 ( 3.090 3.437 -3.241) 5.645 4.761 ( -0.148 -2.932 -5.751) 6.457 5.010 ( -1.184 1.012 -1.568) 2.210 5.864 ( -2.532 7.795 0.080) 8.196 6.725 ( 4.478 5.574 0.567) 7.172 6.915 ( -4.214 -5.326 -4.313) 8.045 7.226 ( -2.850 -11.118 -4.398) 12.291 7.347 ( 4.079 0.234 2.361) 4.719 8.147 ( -6.778 -0.586 6.771) 9.599 8.327 ( 1.885 -2.845 -5.639) 6.591 8.649 ( 4.942 -3.713 0.318) 6.189 9.114 ( 0.281 -6.255 -0.181) 6.264 9.267 ( -2.820 -7.153 0.677) 7.719 9.346 ( 1.614 0.754 17.571) 17.661 9.862 ( -7.441 -15.182 -9.095) 19.198 10.316 ( 0.051 -5.060 17.550) 18.265 11.542 ( -2.008 -1.205 14.393) 14.582 12.160 ( -1.273 -6.225 16.480) 17.662 12.409 ( 4.208 5.749 8.234) 10.889 13.122 ( -4.328 -4.814 1.456) 6.635 13.279 ( 0.608 -4.586 -5.550) 7.225 14.002 ( -16.511 -0.238 14.162) 21.754 14.483 ( 9.840 13.979 2.515) 17.279 15.284 ( 3.813 -8.519 -12.490) 15.592 15.797 ( -3.506 0.852 -10.565) 11.164 16.002 ( 4.407 2.691 -6.300) 8.146 20.084 ( -0.344 3.019 9.924) 10.379 20.974 ( -0.941 3.579 5.725) 6.817 21.393 ( -24.984 -3.482 -11.487) 27.718 22.334 ( 34.179 12.566 -22.491) 42.801 24.203 ( -0.537 3.879 13.571) 14.125 24.992 ( -0.357 -3.384 -2.740) 4.368 ======================= Grid point 217 (66/155) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 5.387 -3.445 5.041) 8.142 1.276 ( 4.169 -11.185 7.520) 14.108 1.805 ( -8.694 -5.650 5.847) 11.904 1.989 ( 1.307 -1.108 -2.024) 2.651 2.171 ( 0.772 -0.180 -5.225) 5.285 2.412 ( -3.687 -3.062 0.310) 4.803 2.616 ( 4.656 1.499 -3.014) 5.746 2.688 ( -1.959 2.748 -4.232) 5.412 2.972 ( 3.215 -3.874 4.801) 6.957 3.109 ( -2.085 4.510 -2.889) 5.747 3.256 ( 3.220 0.248 -0.301) 3.243 3.465 ( -3.916 4.142 -2.721) 6.316 3.736 ( 3.137 -0.173 5.631) 6.448 3.852 ( -5.702 -3.682 2.679) 7.297 4.084 ( 0.881 -1.750 5.380) 5.725 4.386 ( 8.898 3.097 -0.792) 9.454 4.438 ( 1.658 3.294 1.538) 3.996 4.789 ( 2.215 2.141 -6.982) 7.631 4.972 ( -0.325 0.679 -1.444) 1.628 5.708 ( -2.460 7.097 5.140) 9.102 6.654 ( -2.327 1.774 3.890) 4.868 7.041 ( -1.644 -7.509 -9.808) 12.461 7.176 ( 2.209 7.592 -1.134) 7.987 7.519 ( 2.646 -9.646 5.764) 11.544 8.186 ( -5.773 -6.109 -0.042) 8.405 8.354 ( -0.063 -1.394 -8.447) 8.561 8.728 ( 5.289 -2.178 -1.336) 5.874 9.068 ( 0.475 6.644 -6.848) 9.553 9.423 ( -1.660 -8.822 7.661) 11.802 9.438 ( 0.074 -7.688 23.236) 24.475 10.105 ( -4.131 -13.911 -5.397) 15.483 10.396 ( -1.600 -4.197 15.137) 15.789 11.578 ( 0.037 -5.135 19.750) 20.407 12.292 ( 2.348 8.042 10.522) 13.450 12.411 ( 1.185 -17.912 7.503) 19.456 13.181 ( -4.289 -5.602 4.228) 8.225 13.354 ( -0.133 -2.821 -4.007) 4.903 13.921 ( -9.827 0.013 12.428) 15.844 14.235 ( 3.332 17.904 5.140) 18.922 15.442 ( 0.631 -7.849 -11.046) 13.565 15.752 ( -2.919 1.732 -11.861) 12.337 15.952 ( 4.525 5.975 -6.957) 10.226 20.052 ( 0.155 0.737 10.099) 10.127 20.901 ( -1.349 3.336 5.779) 6.808 21.324 ( -13.683 -2.573 -10.394) 17.374 22.250 ( 21.279 15.187 -18.761) 32.178 24.150 ( -0.556 1.866 12.440) 12.591 25.030 ( -0.350 -1.136 -4.278) 4.440 ======================= Grid point 218 (67/155) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 9.600 -7.628 6.146) 13.716 1.465 ( -1.408 -6.683 2.133) 7.155 1.793 ( -7.498 -0.208 8.093) 11.035 1.932 ( 0.320 5.863 1.907) 6.174 2.240 ( 3.312 -4.953 -9.043) 10.829 2.458 ( -4.256 -3.215 -3.034) 6.136 2.575 ( -1.996 4.485 -7.291) 8.790 2.623 ( 1.548 2.985 -7.176) 7.925 2.954 ( -5.253 0.880 -0.302) 5.334 3.123 ( 2.940 -1.009 2.083) 3.742 3.234 ( 3.442 3.078 3.622) 5.869 3.417 ( 0.621 0.237 -3.364) 3.429 3.756 ( 0.739 -0.909 4.893) 5.031 3.945 ( -1.089 -6.940 2.911) 7.604 4.125 ( -0.639 -3.105 6.304) 7.056 4.331 ( 4.622 7.093 2.385) 8.796 4.401 ( 1.526 2.026 5.384) 5.951 4.688 ( -0.643 7.247 -5.170) 8.925 5.030 ( 3.233 -4.112 -4.399) 6.835 5.593 ( -0.840 4.342 6.779) 8.094 6.652 ( -4.401 -3.902 3.864) 7.038 6.968 ( 1.558 9.324 -1.497) 9.571 7.211 ( 0.080 -4.353 -6.959) 8.209 7.689 ( 2.402 -8.011 2.886) 8.847 8.193 ( -1.187 2.862 -6.843) 7.512 8.430 ( -2.165 -6.856 -6.357) 9.597 8.779 ( 2.000 0.186 -8.317) 8.556 8.976 ( 1.909 3.399 -8.479) 9.332 9.529 ( -1.263 -4.858 19.213) 19.857 9.563 ( -0.631 -4.705 21.454) 21.973 10.278 ( -0.434 -7.168 2.526) 7.612 10.441 ( -2.663 -2.199 12.429) 12.900 11.726 ( 1.311 -9.682 18.528) 20.946 12.126 ( 0.935 10.559 13.644) 17.277 12.795 ( 1.025 -22.038 0.718) 22.074 13.290 ( -1.694 -7.769 5.261) 9.534 13.350 ( -0.904 2.242 -1.919) 3.086 13.862 ( -3.056 7.323 10.014) 12.777 13.914 ( -1.334 12.554 9.538) 15.823 15.581 ( -1.220 -7.934 -9.418) 12.374 15.707 ( -1.973 1.202 -13.232) 13.432 15.851 ( 4.038 8.028 -8.023) 12.047 20.050 ( 0.320 -0.131 10.580) 10.586 20.846 ( -0.798 1.869 5.649) 6.003 21.306 ( -5.920 -2.048 -10.001) 11.801 22.106 ( 9.831 10.596 -14.111) 20.200 24.123 ( -0.416 0.850 11.155) 11.195 25.036 ( -0.186 0.049 -5.145) 5.148 ======================= Grid point 219 (68/155) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 0.000 -0.000 5.046) 5.046 1.428 ( 0.000 0.000 2.970) 2.970 1.802 ( 0.000 0.000 4.426) 4.426 1.839 ( -0.000 -0.000 6.579) 6.579 2.345 ( 0.000 -0.000 -8.607) 8.607 2.419 ( 0.000 -0.000 -7.074) 7.074 2.523 ( -0.000 -0.000 -6.915) 6.915 2.601 ( -0.000 0.000 -7.755) 7.755 2.943 ( 0.000 0.000 -0.049) 0.049 3.108 ( 0.000 -0.000 -4.527) 4.527 3.238 ( -0.000 -0.000 12.257) 12.257 3.421 ( 0.000 -0.000 -6.067) 6.067 3.771 ( -0.000 -0.000 3.827) 3.827 4.009 ( -0.000 -0.000 6.569) 6.569 4.214 ( 0.000 0.000 4.072) 4.072 4.216 ( -0.000 -0.000 5.157) 5.157 4.388 ( -0.000 -0.000 5.745) 5.745 4.606 ( 0.000 -0.000 -4.727) 4.727 5.088 ( -0.000 -0.000 -4.489) 4.489 5.549 ( 0.000 -0.000 6.496) 6.496 6.698 ( -0.000 -0.000 4.208) 4.208 6.863 ( 0.000 0.000 -1.892) 1.892 7.248 ( 0.000 -0.000 -4.856) 4.856 7.791 ( -0.000 -0.000 0.557) 0.557 8.142 ( -0.000 -0.000 -10.814) 10.814 8.500 ( -0.000 -0.000 -4.232) 4.232 8.766 ( 0.000 -0.000 -9.508) 9.508 8.961 ( 0.000 -0.000 -11.938) 11.938 9.575 ( 0.000 -0.000 21.394) 21.394 9.596 ( -0.000 0.000 23.987) 23.987 10.350 ( 0.000 -0.000 6.661) 6.661 10.446 ( -0.000 0.000 10.560) 10.560 11.880 ( 0.000 -0.000 14.731) 14.731 11.972 ( 0.000 -0.000 17.901) 17.901 13.131 ( 0.000 -0.000 -4.051) 4.051 13.180 ( -0.000 0.000 -2.732) 2.732 13.533 ( 0.000 -0.000 6.833) 6.833 13.548 ( -0.000 0.000 10.789) 10.789 13.877 ( -0.000 -0.000 12.199) 12.199 15.676 ( -0.000 0.000 -8.883) 8.883 15.713 ( -0.000 -0.000 -12.172) 12.172 15.738 ( 0.000 0.000 -10.025) 10.025 20.053 ( 0.000 -0.000 10.864) 10.864 20.827 ( -0.000 -0.000 5.560) 5.560 21.308 ( 0.000 -0.000 -10.133) 10.133 22.035 ( 0.000 -0.000 -11.974) 11.974 24.114 ( 0.000 -0.000 10.656) 10.656 25.034 ( -0.000 -0.000 -5.406) 5.406 ======================= Grid point 226 (69/155) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 9.555 0.000 8.517) 12.800 0.924 ( 7.534 0.000 18.257) 19.750 1.407 ( 0.369 0.000 24.717) 24.720 1.810 ( 0.267 0.000 -4.351) 4.359 2.296 ( 1.239 0.000 3.144) 3.379 2.380 ( -5.681 -0.000 6.968) 8.990 2.657 ( 5.962 0.000 -4.781) 7.642 2.706 ( -2.683 -0.000 -1.014) 2.869 3.001 ( -2.881 -0.000 2.089) 3.559 3.086 ( -6.442 -0.000 -2.492) 6.907 3.359 ( 2.247 0.000 2.093) 3.071 3.570 ( -3.943 -0.000 -0.932) 4.051 3.734 ( 2.991 0.000 1.941) 3.565 3.924 ( -7.417 -0.000 4.892) 8.884 4.201 ( 9.417 0.000 4.111) 10.275 4.256 ( 0.882 0.000 -1.185) 1.477 4.572 ( 5.642 0.000 -8.081) 9.856 4.661 ( -1.775 -0.000 -7.228) 7.443 5.018 ( -2.554 -0.000 -8.304) 8.688 6.042 ( 0.044 0.000 -7.261) 7.261 6.557 ( -0.744 -0.000 -2.386) 2.499 6.905 ( -0.330 -0.000 -2.524) 2.546 7.172 ( -4.948 -0.000 -11.585) 12.597 7.551 ( 4.716 0.000 11.802) 12.709 7.723 ( 1.295 0.000 -13.919) 13.979 8.389 ( -6.458 -0.000 8.358) 10.562 8.527 ( 2.838 0.000 -0.781) 2.943 8.713 ( 2.538 0.000 22.176) 22.320 9.210 ( -1.444 -0.000 -6.291) 6.455 9.464 ( -4.009 -0.000 10.049) 10.819 9.615 ( -8.667 -0.000 -1.604) 8.814 10.195 ( 1.719 0.000 19.667) 19.742 11.438 ( -1.737 -0.000 7.716) 7.909 12.322 ( -17.182 -0.000 23.419) 29.046 12.548 ( 0.861 0.000 -7.211) 7.262 12.935 ( 6.661 0.000 6.259) 9.140 13.169 ( 0.249 0.000 -9.473) 9.477 13.951 ( -26.461 -0.000 23.690) 35.516 14.931 ( 36.069 0.000 -5.140) 36.433 14.953 ( 0.363 0.000 -15.794) 15.798 15.785 ( -7.701 -0.000 -8.364) 11.370 16.028 ( 6.452 0.000 -5.575) 8.527 20.223 ( -1.067 -0.000 6.614) 6.699 21.054 ( 0.429 0.000 5.276) 5.293 21.202 ( -36.980 -0.000 0.851) 36.990 22.598 ( 49.775 0.000 -29.802) 58.015 24.361 ( -1.313 -0.000 9.462) 9.553 24.864 ( 0.302 0.000 0.935) 0.983 ======================= Grid point 227 (70/155) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 8.835 -3.804 9.318) 13.392 1.051 ( 6.756 -3.272 17.576) 19.112 1.437 ( 3.761 -6.367 16.559) 18.136 1.835 ( 0.660 -2.551 -4.791) 5.468 2.259 ( -0.829 2.788 2.819) 4.050 2.377 ( -2.756 -1.513 4.105) 5.171 2.672 ( 1.749 0.707 -2.090) 2.815 2.715 ( 1.400 -0.151 0.037) 1.408 2.913 ( -0.625 2.653 2.567) 3.744 3.121 ( -6.024 -4.432 1.166) 7.569 3.312 ( 2.911 4.442 -0.799) 5.370 3.551 ( -3.023 0.522 -3.184) 4.422 3.751 ( -2.451 -0.707 4.431) 5.113 3.866 ( -6.485 1.312 6.769) 9.465 4.146 ( 4.097 6.268 -0.049) 7.488 4.377 ( 9.356 -4.239 -1.956) 10.456 4.576 ( 5.061 3.116 -6.495) 8.804 4.683 ( -2.434 -3.621 -6.796) 8.076 5.004 ( -1.318 -0.504 -4.855) 5.056 5.982 ( -0.757 6.075 -4.866) 7.821 6.694 ( -2.649 -10.793 -7.061) 13.166 6.940 ( 7.702 -2.635 -3.338) 8.798 7.009 ( -13.306 6.575 1.195) 14.890 7.411 ( 6.019 3.730 -0.219) 7.084 8.106 ( -0.769 -12.268 -1.033) 12.335 8.262 ( -1.567 0.498 4.070) 4.389 8.559 ( 1.829 -5.039 -3.411) 6.353 8.909 ( 1.995 -13.999 14.892) 20.536 9.182 ( -3.025 0.204 -1.630) 3.442 9.417 ( -1.640 3.050 10.207) 10.779 9.588 ( -12.411 -5.949 -2.316) 13.956 10.242 ( 1.560 -3.400 18.567) 18.940 11.468 ( -3.317 -4.057 9.348) 10.717 12.140 ( -9.855 4.867 27.533) 29.646 12.529 ( 5.156 3.181 0.295) 6.065 13.008 ( -2.186 -3.590 0.397) 4.222 13.211 ( 1.002 -3.612 -7.695) 8.559 13.840 ( -18.902 -3.393 20.167) 27.848 14.809 ( 10.186 13.175 -7.546) 18.283 15.209 ( 14.574 -5.053 -13.250) 20.335 15.754 ( -7.237 -1.670 -9.983) 12.443 16.067 ( 6.667 0.690 -5.943) 8.958 20.154 ( -1.265 4.982 8.815) 10.204 21.014 ( -6.654 1.372 4.950) 8.406 21.111 ( -20.664 -7.956 0.158) 22.143 22.806 ( 42.082 10.631 -33.686) 54.943 24.285 ( -1.691 5.563 11.179) 12.601 24.916 ( -0.145 -4.354 -0.449) 4.380 ======================= Grid point 228 (71/155) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 8.180 -3.556 8.897) 12.598 1.160 ( 7.396 -5.634 11.757) 14.989 1.610 ( -4.314 -9.473 7.327) 12.729 1.918 ( 1.737 -5.729 -5.699) 8.266 2.205 ( -0.563 2.875 0.155) 2.934 2.373 ( -2.445 -0.043 1.832) 3.055 2.669 ( 0.745 0.563 -0.647) 1.137 2.721 ( 4.081 1.549 -2.425) 4.993 2.918 ( 1.323 -2.468 7.646) 8.142 3.192 ( -0.112 -3.601 0.983) 3.734 3.214 ( -4.415 4.010 -2.921) 6.641 3.510 ( -1.658 2.923 -6.426) 7.251 3.738 ( -3.609 -0.539 6.545) 7.494 3.820 ( 0.976 0.844 8.044) 8.147 4.079 ( 0.872 1.920 0.751) 2.238 4.465 ( 7.800 0.926 -1.573) 8.010 4.538 ( 4.477 4.425 -3.204) 7.064 4.760 ( 0.028 -5.825 -5.862) 8.264 5.003 ( 0.734 1.512 -3.242) 3.652 5.833 ( -2.059 8.626 0.831) 8.907 6.724 ( -7.413 7.404 1.346) 10.563 6.870 ( -0.616 -8.300 -9.146) 12.366 7.225 ( 2.349 -11.384 -5.675) 12.936 7.396 ( 4.217 -0.196 6.379) 7.649 8.049 ( -8.091 -0.148 6.022) 10.087 8.359 ( 3.395 -0.395 -7.549) 8.286 8.724 ( 6.458 -5.516 -1.263) 8.587 9.117 ( 0.086 -4.076 -0.341) 4.091 9.229 ( -2.898 -8.965 3.997) 10.235 9.362 ( 0.766 0.058 17.811) 17.827 9.733 ( -12.388 -19.170 -4.933) 23.351 10.316 ( -0.088 -3.881 16.582) 17.030 11.505 ( -3.735 -2.892 16.710) 17.365 12.144 ( -1.006 -9.352 19.002) 21.203 12.478 ( 6.251 7.157 5.199) 10.832 13.045 ( -7.415 -4.839 0.990) 8.910 13.287 ( 0.558 -4.076 -5.240) 6.662 13.809 ( -12.727 -3.773 16.011) 20.798 14.587 ( 6.562 17.483 -0.581) 18.683 15.345 ( 5.230 -4.381 -12.570) 14.302 15.735 ( -5.982 -0.570 -11.462) 12.942 16.074 ( 6.390 3.454 -6.625) 9.831 20.078 ( -0.542 2.463 9.978) 10.292 20.948 ( -3.575 2.388 4.571) 6.275 21.140 ( -13.697 -6.886 -3.993) 15.842 22.747 ( 29.401 20.346 -29.893) 46.604 24.189 ( -1.752 3.457 12.918) 13.487 24.987 ( -0.506 -3.367 -2.435) 4.186 ======================= Grid point 229 (72/155) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 7.603 -4.284 6.005) 10.594 1.336 ( 4.786 -8.254 6.312) 11.441 1.697 ( -7.686 -4.678 7.442) 11.677 2.001 ( 0.620 0.087 -2.111) 2.202 2.180 ( 0.785 -2.174 -6.644) 7.035 2.373 ( -2.416 -2.211 0.068) 3.276 2.635 ( -1.642 3.228 -3.910) 5.330 2.702 ( 3.726 3.492 -5.828) 7.749 2.947 ( -5.818 1.489 4.547) 7.532 3.100 ( 0.135 -0.249 4.132) 4.142 3.311 ( 3.400 -3.553 -0.302) 4.927 3.423 ( -1.470 4.448 -4.938) 6.807 3.742 ( -0.343 -1.576 5.395) 5.631 3.852 ( 4.007 -2.249 5.721) 7.338 4.086 ( -0.517 -1.584 4.334) 4.643 4.458 ( 2.935 3.708 2.507) 5.352 4.471 ( 2.998 5.027 0.791) 5.907 4.840 ( 4.748 2.914 -6.234) 8.361 4.971 ( 0.650 -1.182 -4.268) 4.476 5.680 ( -1.569 6.423 5.493) 8.596 6.586 ( -7.923 1.700 1.440) 8.231 7.033 ( 0.197 -7.258 -11.715) 13.783 7.207 ( 2.465 6.625 -1.339) 7.195 7.564 ( 4.292 -8.534 6.628) 11.627 8.110 ( -6.235 -10.119 -0.712) 11.907 8.352 ( 0.208 1.524 -12.012) 12.110 8.804 ( 6.390 -0.227 -1.649) 6.603 9.070 ( -0.302 5.139 -7.088) 8.760 9.395 ( -2.714 -8.302 8.377) 12.102 9.444 ( 0.808 -7.258 26.617) 27.601 10.040 ( -5.866 -18.523 -2.466) 19.585 10.372 ( -2.018 -3.167 14.204) 14.692 11.575 ( -0.573 -7.317 20.788) 22.045 12.330 ( 3.552 8.124 9.026) 12.653 12.428 ( 1.353 -16.164 8.106) 18.133 13.113 ( -6.109 -8.134 3.973) 10.921 13.351 ( -0.279 -2.218 -4.305) 4.850 13.804 ( -8.080 -2.997 14.312) 16.706 14.274 ( 2.816 20.428 4.337) 21.072 15.456 ( 1.586 -5.738 -11.511) 12.959 15.701 ( -4.764 0.238 -12.005) 12.918 16.019 ( 5.496 6.819 -7.516) 11.541 20.054 ( 0.086 0.435 10.344) 10.353 20.887 ( -0.478 2.745 4.932) 5.665 21.181 ( -8.964 -5.764 -6.551) 12.510 22.499 ( 17.300 22.210 -22.594) 36.098 24.137 ( -1.535 1.425 12.268) 12.446 25.025 ( -0.386 -1.276 -4.073) 4.286 ======================= Grid point 230 (73/155) ======================= q-point: ( 0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 6.280 -8.393 4.657) 11.471 1.450 ( 0.163 -0.858 3.746) 3.846 1.711 ( -5.060 -3.868 9.196) 11.186 1.936 ( 0.308 5.684 1.829) 5.979 2.282 ( 3.331 -6.243 -10.354) 12.541 2.403 ( -4.131 -1.738 -3.037) 5.413 2.546 ( -2.245 3.877 -6.224) 7.668 2.643 ( 0.961 3.923 -8.089) 9.041 2.887 ( -3.805 -1.038 -0.029) 3.945 3.148 ( -0.118 -1.939 7.073) 7.335 3.281 ( 3.184 5.642 -1.011) 6.557 3.414 ( -0.406 -1.000 -2.565) 2.783 3.779 ( 3.508 -0.493 4.124) 5.437 3.940 ( -0.194 -5.815 5.553) 8.043 4.104 ( -2.651 -1.731 6.294) 7.045 4.364 ( 1.484 6.596 4.245) 7.983 4.421 ( 1.006 3.195 5.044) 6.055 4.731 ( 6.555 8.871 -5.322) 12.247 5.049 ( -0.120 -3.823 -5.071) 6.352 5.585 ( -0.421 3.706 6.480) 7.476 6.566 ( -8.042 -4.868 0.354) 9.407 7.018 ( 5.559 7.898 -0.624) 9.678 7.206 ( -0.885 -3.562 -6.533) 7.493 7.722 ( 2.605 -6.965 2.052) 7.714 8.192 ( 0.946 2.177 -8.350) 8.681 8.372 ( -6.157 -7.729 -8.737) 13.190 8.824 ( 4.487 2.306 -7.633) 9.150 8.990 ( 0.225 3.225 -8.888) 9.457 9.504 ( -2.613 -6.133 18.067) 19.258 9.560 ( 0.209 -4.257 25.697) 26.048 10.276 ( 0.224 -9.533 4.782) 10.668 10.407 ( -2.718 -2.488 11.371) 11.953 11.743 ( 1.351 -9.903 19.183) 21.631 12.139 ( 1.066 12.135 12.713) 17.608 12.807 ( 0.803 -21.967 0.537) 21.988 13.271 ( -1.202 -10.641 5.609) 12.089 13.336 ( -1.300 2.598 -2.511) 3.840 13.813 ( -4.114 -0.719 12.062) 12.764 13.908 ( 0.043 19.083 8.487) 20.885 15.571 ( -0.255 -6.616 -10.300) 12.244 15.674 ( -2.997 -0.138 -12.219) 12.582 15.907 ( 4.294 8.812 -8.842) 13.201 20.053 ( 0.122 -0.069 10.790) 10.791 20.848 ( 1.119 1.822 5.311) 5.725 21.236 ( -5.087 -5.249 -8.357) 11.103 22.220 ( 7.777 16.558 -15.933) 24.259 24.114 ( -1.056 0.327 11.206) 11.260 25.033 ( -0.161 -0.088 -5.045) 5.049 ======================= Grid point 231 (74/155) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -9.347 7.990 6.314) 13.823 1.541 ( 8.209 -3.263 1.611) 8.980 1.800 ( -0.247 -5.696 4.810) 7.459 1.847 ( 1.103 1.870 6.558) 6.908 2.309 ( -3.737 4.889 -7.688) 9.847 2.454 ( 3.632 -6.804 -8.199) 11.256 2.522 ( -0.124 -1.204 -6.499) 6.611 2.601 ( 0.033 1.049 -8.953) 9.015 2.925 ( -1.846 -4.004 -0.059) 4.410 3.141 ( 3.622 2.563 -2.046) 4.886 3.231 ( -0.437 1.585 10.057) 10.191 3.396 ( -3.556 0.918 -5.521) 6.630 3.782 ( 1.641 1.807 4.082) 4.755 4.016 ( 0.946 -0.616 6.728) 6.822 4.141 ( -6.834 -5.536 3.574) 9.493 4.252 ( 1.940 6.030 4.942) 8.034 4.379 ( -0.854 0.761 6.266) 6.370 4.678 ( 9.686 2.459 -4.594) 10.998 5.055 ( -5.058 1.532 -4.604) 7.009 5.549 ( -0.058 -0.360 6.214) 6.225 6.632 ( -6.843 -6.588 2.314) 9.777 6.936 ( 7.864 4.854 0.696) 9.268 7.240 ( -1.081 -0.764 -4.738) 4.919 7.794 ( 0.422 2.420 0.213) 2.466 8.150 ( 1.214 -0.374 -11.066) 11.138 8.463 ( -4.907 -3.774 -4.395) 7.592 8.795 ( 4.024 2.436 -9.258) 10.385 8.949 ( -1.985 1.270 -11.731) 11.965 9.566 ( -0.800 -1.467 22.722) 22.783 9.602 ( 0.411 -0.404 22.405) 22.412 10.349 ( -0.091 1.289 6.284) 6.416 10.454 ( 1.063 -2.916 10.960) 11.391 11.888 ( 1.207 3.371 14.925) 15.349 11.965 ( -1.098 -1.593 17.673) 17.778 13.132 ( 0.197 8.192 -3.918) 9.083 13.179 ( -0.030 -8.653 -2.851) 9.110 13.529 ( -0.368 14.070 7.711) 16.048 13.555 ( 0.811 -14.741 9.794) 17.716 13.871 ( -0.806 -3.098 12.454) 12.858 15.664 ( -1.702 -1.850 -12.688) 12.935 15.697 ( -0.893 -5.967 -7.185) 9.382 15.769 ( 2.856 8.442 -11.348) 14.429 20.052 ( -0.184 0.204 10.831) 10.835 20.838 ( 1.550 0.182 5.702) 5.912 21.302 ( -0.882 -4.219 -10.339) 11.202 22.035 ( -0.013 6.355 -12.012) 13.589 24.111 ( -0.447 -0.522 10.774) 10.796 25.034 ( 0.016 -0.115 -5.393) 5.394 ======================= Grid point 232 (75/155) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -6.592 5.635 6.713) 10.967 1.478 ( 0.726 11.140 2.159) 11.371 1.885 ( 6.009 -2.344 6.005) 8.813 1.929 ( -0.117 -5.863 2.437) 6.351 2.200 ( -2.663 4.009 -7.945) 9.289 2.508 ( 3.383 2.568 -3.469) 5.484 2.580 ( -1.071 -0.564 -8.297) 8.384 2.627 ( 1.875 -5.426 -5.873) 8.213 2.966 ( -3.539 -1.375 -1.061) 3.943 3.118 ( 2.298 2.747 0.741) 3.657 3.217 ( 1.283 -0.571 3.647) 3.908 3.389 ( -3.512 -4.342 -2.406) 6.080 3.748 ( -0.691 2.479 4.619) 5.288 3.974 ( 3.208 4.657 2.748) 6.288 4.123 ( -0.773 2.981 6.387) 7.090 4.252 ( -6.426 -4.556 -0.453) 7.890 4.392 ( -0.235 -1.879 5.611) 5.922 4.741 ( 6.678 -2.160 -5.226) 8.751 4.968 ( -6.092 1.838 -3.023) 7.045 5.603 ( 0.681 -5.299 6.280) 8.245 6.672 ( -0.530 -0.083 6.838) 6.859 6.979 ( 2.229 -6.123 -1.126) 6.613 7.207 ( -0.437 4.556 -6.991) 8.356 7.665 ( -1.292 8.868 2.645) 9.343 8.223 ( 3.244 -4.019 -5.990) 7.910 8.419 ( -3.254 4.576 -3.013) 6.372 8.779 ( 1.647 3.939 -10.843) 11.654 8.945 ( -2.603 -4.500 -6.828) 8.582 9.543 ( 1.140 4.077 20.524) 20.956 9.568 ( -0.054 4.680 17.115) 17.743 10.284 ( 0.354 5.653 0.961) 5.745 10.471 ( 1.819 2.215 13.113) 13.423 11.712 ( -0.786 9.873 18.291) 20.801 12.116 ( -0.522 -9.666 14.137) 17.133 12.783 ( -0.728 22.185 0.912) 22.216 13.311 ( 1.446 6.883 5.875) 9.165 13.358 ( 0.212 -2.935 -2.349) 3.765 13.884 ( 0.735 -16.556 8.315) 18.542 13.940 ( 2.111 -5.585 10.433) 12.021 15.599 ( 1.376 8.800 -9.127) 12.753 15.716 ( -0.505 -2.702 -13.924) 14.192 15.816 ( -1.281 -6.621 -7.240) 9.894 20.046 ( -0.293 0.147 10.369) 10.374 20.861 ( 1.253 -1.789 6.068) 6.449 21.382 ( 5.657 -3.458 -12.737) 14.360 21.984 ( -8.507 -2.819 -11.528) 14.602 24.125 ( -0.044 -1.193 11.324) 11.387 25.038 ( 0.126 -0.166 -5.205) 5.209 ======================= Grid point 233 (76/155) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -1.928 1.681 3.905) 4.668 1.238 ( -1.658 13.828 8.638) 16.389 1.904 ( 6.400 5.124 3.413) 8.881 1.963 ( -3.013 2.846 -0.632) 4.193 2.162 ( -0.490 -1.283 -4.169) 4.389 2.465 ( 4.262 4.313 0.179) 6.066 2.550 ( -4.818 0.113 -1.335) 5.001 2.721 ( 2.322 -2.471 -1.478) 3.699 2.910 ( -4.241 2.931 -3.002) 5.966 3.122 ( 0.087 -2.129 -0.607) 2.216 3.245 ( 0.431 -1.607 -2.932) 3.371 3.509 ( 2.587 -7.718 1.021) 8.204 3.688 ( -3.013 2.003 3.752) 5.212 3.962 ( 9.480 1.291 2.621) 9.920 4.059 ( -3.518 2.567 5.520) 7.031 4.264 ( -7.627 -2.274 -3.398) 8.654 4.425 ( -0.401 -2.187 1.632) 2.757 4.781 ( 0.209 0.049 -6.334) 6.338 4.974 ( -0.015 -3.380 -0.156) 3.383 5.734 ( 1.262 -8.029 4.055) 9.083 6.658 ( -0.584 0.240 6.390) 6.421 7.066 ( 1.636 8.267 -7.511) 11.288 7.154 ( -1.116 -9.684 -1.276) 9.831 7.497 ( -0.800 9.936 3.871) 10.693 8.254 ( 4.383 5.419 1.340) 7.097 8.342 ( -1.915 -0.429 -5.703) 6.031 8.679 ( -2.081 4.944 -2.502) 5.919 9.061 ( -0.373 -7.703 -5.914) 9.719 9.436 ( 0.421 8.676 19.815) 21.635 9.441 ( 0.254 8.322 7.958) 11.517 10.141 ( 1.478 11.309 -7.149) 13.461 10.410 ( 0.564 4.929 15.695) 16.461 11.577 ( -0.120 3.967 19.287) 19.691 12.271 ( -0.795 -7.697 11.505) 13.865 12.401 ( -0.461 18.546 7.071) 19.853 13.219 ( 1.495 4.339 4.592) 6.493 13.354 ( 0.010 3.195 -3.891) 5.035 14.032 ( 6.252 -4.504 9.789) 12.458 14.190 ( -3.202 -14.745 6.559) 16.452 15.438 ( -0.055 9.450 -10.849) 14.387 15.773 ( 0.570 -2.992 -11.833) 12.218 15.913 ( -1.459 -4.998 -6.456) 8.293 20.050 ( -0.079 -0.961 9.939) 9.986 20.915 ( 0.595 -3.292 6.107) 6.963 21.512 ( 13.156 -4.371 -16.859) 21.827 21.992 ( -16.145 -5.963 -12.090) 21.033 24.153 ( 0.069 -2.052 12.703) 12.868 25.033 ( 0.141 1.038 -4.396) 4.520 ======================= Grid point 234 (77/155) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -0.000 5.628 3.919) 6.858 1.028 ( -0.000 6.570 18.485) 19.618 1.701 ( -0.000 18.868 12.953) 22.887 1.881 ( -0.000 3.537 -5.880) 6.862 2.205 ( 0.000 -3.068 -2.210) 3.781 2.424 ( -0.000 1.130 4.302) 4.448 2.567 ( 0.000 -3.251 -1.609) 3.627 2.748 ( 0.000 -0.231 1.426) 1.445 2.864 ( -0.000 0.274 -2.157) 2.174 3.163 ( 0.000 -2.330 0.748) 2.447 3.266 ( -0.000 0.155 -6.720) 6.722 3.650 ( 0.000 -5.572 1.312) 5.724 3.652 ( -0.000 0.409 4.075) 4.095 3.959 ( -0.000 2.677 5.167) 5.819 4.061 ( 0.000 -4.028 2.512) 4.747 4.269 ( 0.000 -1.340 -3.957) 4.178 4.466 ( 0.000 -2.455 -2.743) 3.681 4.762 ( -0.000 2.213 -5.541) 5.967 5.019 ( 0.000 -1.053 -1.151) 1.560 5.883 ( 0.000 -7.468 -0.812) 7.512 6.687 ( 0.000 -4.454 2.277) 5.003 6.942 ( -0.000 5.808 -3.931) 7.013 7.273 ( -0.000 13.085 2.424) 13.308 7.297 ( 0.000 -4.290 -5.449) 6.935 8.198 ( 0.000 -0.000 7.933) 7.933 8.312 ( -0.000 4.690 -5.566) 7.278 8.614 ( -0.000 2.799 0.740) 2.895 9.112 ( -0.000 6.896 -0.180) 6.898 9.290 ( -0.000 7.562 -3.296) 8.249 9.331 ( 0.000 -1.869 20.375) 20.460 9.911 ( -0.000 13.424 -10.911) 17.299 10.315 ( -0.000 5.486 18.009) 18.826 11.555 ( -0.000 0.526 13.458) 13.469 12.169 ( -0.000 4.507 14.976) 15.640 12.380 ( 0.000 -4.725 9.949) 11.014 13.150 ( -0.000 4.539 1.959) 4.943 13.275 ( -0.000 4.910 -5.944) 7.710 14.151 ( 0.000 -5.191 10.905) 12.078 14.382 ( 0.000 -8.768 5.971) 10.608 15.258 ( -0.000 10.458 -12.535) 16.324 15.819 ( 0.000 -1.790 -10.155) 10.311 15.972 ( 0.000 -2.072 -6.171) 6.510 20.086 ( 0.000 -3.248 9.908) 10.427 20.979 ( 0.000 -3.423 5.762) 6.701 21.661 ( 0.000 -3.279 -23.326) 23.555 22.005 ( 0.000 -4.424 -10.050) 10.981 24.206 ( 0.000 -4.006 13.881) 14.447 24.995 ( -0.000 3.384 -2.858) 4.429 ======================= Grid point 237 (78/155) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 11.065 0.000 9.754) 14.751 1.049 ( 11.240 0.000 13.928) 17.898 1.452 ( 7.023 0.000 17.301) 18.672 1.815 ( 0.580 0.000 -4.147) 4.187 2.301 ( -6.344 -0.000 5.459) 8.370 2.310 ( 0.960 0.000 5.844) 5.923 2.666 ( -3.316 -0.000 0.811) 3.414 2.741 ( 6.583 0.000 -1.080) 6.671 2.953 ( -4.144 -0.000 1.520) 4.415 3.002 ( -5.388 -0.000 2.013) 5.751 3.385 ( 0.193 0.000 1.206) 1.221 3.546 ( -0.986 -0.000 -4.011) 4.130 3.708 ( -5.465 -0.000 2.531) 6.023 3.827 ( -6.723 -0.000 7.860) 10.343 4.324 ( 8.872 0.000 -1.256) 8.960 4.324 ( 9.302 0.000 -1.646) 9.447 4.628 ( -3.136 -0.000 -10.497) 10.956 4.643 ( 5.090 0.000 -7.329) 8.923 4.982 ( -2.711 -0.000 -5.905) 6.498 6.042 ( -0.005 -0.000 -10.462) 10.462 6.550 ( -0.232 -0.000 -2.263) 2.275 6.883 ( -3.238 -0.000 -2.515) 4.100 7.105 ( -4.744 -0.000 -6.574) 8.106 7.623 ( 5.748 0.000 14.818) 15.894 7.734 ( 0.369 0.000 -12.464) 12.469 8.294 ( -8.672 -0.000 10.168) 13.364 8.554 ( 1.668 0.000 -6.632) 6.838 8.759 ( 4.712 0.000 22.766) 23.249 9.186 ( -2.089 -0.000 -3.413) 4.001 9.383 ( -8.261 -0.000 11.118) 13.851 9.502 ( -7.752 -0.000 1.086) 7.828 10.225 ( 2.697 0.000 18.657) 18.851 11.405 ( -3.424 -0.000 9.520) 10.117 12.111 ( -14.084 -0.000 36.935) 39.529 12.563 ( 1.383 0.000 -7.309) 7.438 13.006 ( 4.218 0.000 1.210) 4.388 13.174 ( 0.400 0.000 -9.637) 9.645 13.699 ( -13.812 -0.000 20.399) 24.636 14.964 ( 1.621 0.000 -15.157) 15.244 15.323 ( 24.786 0.000 -15.800) 29.393 15.671 ( -10.035 -0.000 -9.254) 13.650 16.115 ( 6.996 0.000 -5.545) 8.927 20.205 ( -1.608 -0.000 6.251) 6.455 20.819 ( -23.021 -0.000 9.819) 25.027 21.060 ( 0.593 0.000 5.420) 5.452 23.173 ( 38.941 0.000 -38.591) 54.824 24.334 ( -3.147 -0.000 6.384) 7.118 24.870 ( 0.479 0.000 1.087) 1.188 ======================= Grid point 238 (79/155) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 10.499 -2.225 11.539) 15.759 1.159 ( 10.094 -2.433 12.928) 16.581 1.499 ( 5.389 -1.557 7.147) 9.085 1.846 ( 1.134 -3.044 -4.931) 5.905 2.240 ( -1.717 1.510 6.339) 6.739 2.349 ( -1.927 -1.497 3.076) 3.926 2.642 ( -3.744 -0.609 -1.114) 3.954 2.785 ( 6.555 0.431 3.638) 7.509 2.910 ( 0.678 0.403 3.160) 3.257 3.051 ( -4.438 -6.471 1.579) 8.004 3.300 ( -5.320 6.119 0.685) 8.137 3.540 ( -1.022 0.398 -7.506) 7.586 3.689 ( -4.078 -1.324 6.759) 8.004 3.807 ( -2.260 -1.554 9.140) 9.542 4.211 ( 5.193 9.765 -3.370) 11.562 4.493 ( 6.721 -4.273 -4.682) 9.238 4.628 ( 1.581 0.948 -6.481) 6.738 4.665 ( 2.846 -1.581 -6.372) 7.156 4.997 ( 0.185 -2.583 -4.620) 5.296 5.975 ( -0.356 6.964 -6.608) 9.607 6.658 ( -3.423 -8.462 -8.432) 12.427 6.828 ( -12.472 4.915 0.430) 13.412 7.037 ( 5.517 -4.898 1.295) 7.490 7.484 ( 5.868 5.250 1.647) 8.044 8.075 ( -4.515 1.154 7.249) 8.618 8.263 ( 1.552 -17.109 -2.168) 17.315 8.573 ( 0.212 -5.561 -8.017) 9.759 8.941 ( 3.014 -12.704 16.429) 20.985 9.141 ( -3.134 1.275 4.031) 5.263 9.380 ( -5.111 -2.907 8.852) 10.627 9.434 ( -9.584 -0.451 0.219) 9.597 10.264 ( 1.909 -2.294 17.479) 17.732 11.415 ( -4.786 -3.285 12.561) 13.837 12.035 ( -6.291 -1.505 33.383) 34.004 12.586 ( 3.729 -0.032 -3.033) 4.807 12.980 ( -2.089 2.711 -0.510) 3.460 13.222 ( 0.758 -3.665 -7.469) 8.354 13.662 ( -9.708 -3.658 17.319) 20.188 14.893 ( 4.728 10.152 -10.389) 15.276 15.385 ( 10.969 3.980 -14.009) 18.232 15.658 ( -7.038 -3.152 -12.250) 14.475 16.154 ( 6.674 0.882 -5.990) 9.011 20.136 ( -1.439 4.512 8.748) 9.948 20.806 ( -15.207 -9.552 4.919) 18.620 21.051 ( -0.101 1.029 5.204) 5.306 23.271 ( 30.701 14.133 -38.261) 51.051 24.251 ( -3.770 4.985 9.089) 11.030 24.914 ( -0.087 -3.845 -0.080) 3.847 ======================= Grid point 239 (80/155) ======================= q-point: ( 0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 7.745 -2.512 9.865) 12.791 1.263 ( 9.350 -3.112 8.133) 12.777 1.568 ( -2.280 -4.664 4.939) 7.166 1.940 ( 1.823 -5.721 -6.662) 8.969 2.194 ( -1.053 2.719 2.683) 3.962 2.345 ( -2.083 -0.297 1.062) 2.357 2.643 ( -3.446 -0.934 -3.613) 5.080 2.794 ( 5.117 3.489 -2.343) 6.622 2.925 ( 0.422 -1.208 11.725) 11.795 3.114 ( -8.812 2.322 -0.835) 9.151 3.209 ( 1.828 -5.511 2.773) 6.434 3.498 ( -2.479 3.005 -8.004) 8.901 3.707 ( 0.990 -1.807 7.508) 7.786 3.860 ( 3.578 -2.710 10.090) 11.044 4.093 ( 1.684 4.263 -2.252) 5.107 4.540 ( 3.715 2.014 -3.512) 5.495 4.578 ( 1.319 4.948 -1.999) 5.497 4.771 ( 2.329 -6.847 -3.765) 8.154 5.031 ( 3.264 1.414 -5.604) 6.638 5.816 ( -0.515 9.233 0.123) 9.249 6.579 ( -12.937 3.999 2.226) 13.723 6.872 ( -0.200 -9.476 -12.125) 15.390 7.260 ( 2.101 -7.813 -4.252) 9.140 7.468 ( 7.433 -1.696 7.108) 10.424 7.945 ( -8.349 0.717 5.876) 10.235 8.411 ( 4.432 1.987 -10.762) 11.808 8.812 ( 7.398 -7.577 -2.942) 10.991 9.113 ( -0.930 -0.553 -0.226) 1.105 9.199 ( -1.557 -12.003 7.864) 14.434 9.363 ( -0.632 -1.357 18.170) 18.231 9.563 ( -13.619 -22.552 -0.332) 26.347 10.315 ( -0.067 -2.379 15.515) 15.696 11.452 ( -4.312 -4.757 19.274) 20.315 12.135 ( -0.357 -11.845 20.925) 24.048 12.562 ( 6.834 7.747 2.775) 10.697 12.943 ( -8.267 -3.892 0.712) 9.166 13.293 ( 0.322 -3.713 -5.298) 6.477 13.686 ( -6.815 -4.377 15.113) 17.146 14.658 ( 4.741 18.775 -1.651) 19.434 15.406 ( 4.058 -1.519 -13.112) 13.810 15.654 ( -6.184 -1.278 -12.424) 13.936 16.153 ( 5.675 3.920 -6.831) 9.707 20.071 ( -0.510 1.866 10.057) 10.241 20.884 ( -5.397 -4.920 0.851) 7.353 21.039 ( -3.809 -1.812 2.392) 4.849 23.067 ( 20.762 25.513 -33.413) 46.887 24.157 ( -3.240 2.582 12.729) 13.386 24.981 ( -0.405 -3.316 -2.071) 3.931 ======================= Grid point 240 (81/155) ======================= q-point: ( 0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 6.611 -4.025 5.690) 9.606 1.393 ( 4.194 -5.533 6.084) 9.231 1.619 ( -4.505 -3.066 8.259) 9.895 2.007 ( 0.325 1.068 -1.216) 1.651 2.192 ( 1.116 -4.376 -8.314) 9.462 2.349 ( -1.507 -1.438 -0.204) 2.093 2.600 ( -3.707 3.107 -4.494) 6.602 2.730 ( -0.261 5.011 -5.270) 7.277 2.893 ( -0.870 3.129 2.697) 4.221 3.079 ( -3.375 -3.198 6.949) 8.361 3.330 ( 1.055 -3.548 2.180) 4.296 3.425 ( -0.132 2.980 -5.819) 6.539 3.769 ( 4.442 -3.257 6.762) 8.722 3.905 ( 3.529 0.209 7.681) 8.455 4.076 ( -0.847 -0.160 3.199) 3.314 4.482 ( 1.138 5.718 1.657) 6.061 4.503 ( 2.211 4.265 1.085) 4.925 4.869 ( -0.370 -0.523 -3.104) 3.169 5.005 ( 4.154 1.182 -6.684) 7.958 5.672 ( 0.251 6.384 4.422) 7.770 6.475 ( -8.548 -0.085 0.131) 8.550 7.038 ( 0.407 -7.691 -12.546) 14.721 7.235 ( 1.797 6.034 -1.582) 6.491 7.621 ( 4.416 -6.001 5.585) 9.311 8.031 ( -5.854 -13.921 -0.373) 15.106 8.362 ( 1.152 5.020 -15.071) 15.927 8.887 ( 6.377 1.243 -3.572) 7.414 9.059 ( -1.368 3.861 -5.934) 7.210 9.356 ( -3.112 -7.174 11.253) 13.703 9.458 ( 1.304 -7.112 27.050) 28.000 9.963 ( -5.712 -24.129 1.000) 24.816 10.349 ( -1.483 -2.159 12.992) 13.254 11.564 ( -1.009 -9.801 22.083) 24.181 12.378 ( 3.769 6.756 7.854) 11.024 12.442 ( 0.704 -12.501 8.466) 15.115 13.036 ( -5.508 -11.166 3.933) 13.057 13.347 ( -0.279 -1.620 -4.637) 4.920 13.723 ( -4.577 -3.832 14.809) 15.967 14.306 ( 2.235 22.209 4.096) 22.694 15.481 ( 2.422 -4.166 -12.395) 13.298 15.637 ( -5.077 -1.065 -12.050) 13.119 16.082 ( 4.177 7.320 -7.824) 11.499 20.054 ( -0.010 0.212 10.560) 10.562 20.895 ( 1.796 1.717 4.024) 4.730 21.086 ( -6.345 -6.618 -4.422) 10.179 22.682 ( 11.200 26.895 -24.788) 38.252 24.113 ( -2.048 0.722 12.527) 12.714 25.021 ( -0.270 -1.389 -3.856) 4.107 ======================= Grid point 241 (82/155) ======================= q-point: ( 0.60 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -1.214 0.370 3.881) 4.083 1.490 ( 4.639 -4.822 5.606) 8.729 1.666 ( -2.202 -6.377 9.083) 11.314 1.940 ( 0.237 5.442 1.809) 5.740 2.320 ( 2.201 -5.792 -10.535) 12.222 2.358 ( -2.571 -1.321 -4.558) 5.398 2.521 ( -1.597 2.131 -4.506) 5.234 2.641 ( -1.014 3.471 -9.093) 9.786 2.873 ( 1.226 -0.609 0.578) 1.486 3.115 ( -4.175 -3.303 5.600) 7.727 3.314 ( 2.158 4.173 2.604) 5.372 3.411 ( -0.262 1.024 -4.493) 4.615 3.844 ( 5.838 1.508 4.451) 7.494 3.938 ( 0.224 -4.787 7.395) 8.812 4.056 ( -4.844 -0.589 6.778) 8.352 4.382 ( 1.291 6.526 4.018) 7.772 4.427 ( 0.171 4.682 4.990) 6.845 4.822 ( 6.558 4.618 -4.056) 8.989 5.032 ( -2.134 -0.527 -5.743) 6.149 5.582 ( -0.076 3.850 5.475) 6.694 6.474 ( -5.686 -4.838 -1.373) 7.591 7.092 ( 5.457 4.915 -0.436) 7.357 7.188 ( -1.986 -2.508 -5.575) 6.428 7.751 ( 1.774 -6.339 0.834) 6.635 8.211 ( 1.840 0.771 -9.935) 10.133 8.293 ( -5.591 -6.046 -9.526) 12.592 8.884 ( 4.687 3.010 -8.794) 10.410 8.979 ( -1.967 3.529 -8.235) 9.172 9.471 ( -2.066 -7.211 19.571) 20.959 9.564 ( 0.317 -3.864 26.381) 26.664 10.284 ( 0.953 -12.650 7.218) 14.596 10.374 ( -2.195 -2.139 10.035) 10.493 11.758 ( 0.851 -10.541 20.023) 22.644 12.151 ( 0.730 13.870 11.685) 18.150 12.814 ( 0.364 -22.068 0.460) 22.075 13.260 ( -0.486 -14.582 6.643) 16.031 13.320 ( -1.012 4.047 -3.744) 5.605 13.769 ( -2.580 -2.902 12.911) 13.482 13.911 ( 0.255 21.131 8.411) 22.745 15.576 ( 0.927 -4.851 -12.100) 13.069 15.636 ( -2.803 -1.902 -10.798) 11.317 15.952 ( 2.603 9.255 -9.185) 13.297 20.054 ( -0.018 0.016 10.911) 10.911 20.871 ( 2.078 2.023 5.440) 6.164 21.178 ( -3.655 -7.026 -7.941) 11.215 22.298 ( 4.296 20.213 -17.065) 26.800 24.099 ( -0.994 -0.207 11.485) 11.530 25.032 ( -0.087 -0.192 -4.945) 4.950 ======================= Grid point 242 (83/155) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -3.787 9.118 7.716) 12.530 1.614 ( 3.032 -0.315 0.038) 3.049 1.797 ( -0.170 -7.960 5.337) 9.585 1.861 ( 0.781 0.545 6.682) 6.750 2.272 ( -1.673 4.897 -7.229) 8.890 2.489 ( 1.590 -7.807 -9.141) 12.126 2.519 ( -0.348 -1.543 -5.303) 5.534 2.604 ( 0.294 0.741 -11.629) 11.656 2.909 ( -0.598 -2.499 1.197) 2.834 3.162 ( -0.134 -2.898 4.667) 5.495 3.252 ( 3.186 3.160 3.241) 5.536 3.344 ( -3.806 4.326 -4.867) 7.542 3.806 ( 1.576 3.576 4.065) 5.639 4.026 ( 0.248 -0.058 6.567) 6.572 4.067 ( -3.602 -5.644 4.248) 7.930 4.268 ( 0.670 6.156 4.444) 7.621 4.372 ( -0.240 0.582 6.500) 6.530 4.819 ( 11.426 2.520 -3.781) 12.296 4.962 ( -9.259 3.479 -5.433) 11.285 5.548 ( -0.032 -0.647 5.799) 5.835 6.567 ( -2.827 -7.847 1.572) 8.488 7.016 ( 3.702 5.473 2.806) 7.179 7.226 ( -0.885 -1.554 -4.752) 5.077 7.800 ( 0.360 4.052 -0.478) 4.096 8.166 ( 0.928 -1.277 -11.300) 11.410 8.405 ( -2.966 -4.456 -4.635) 7.080 8.853 ( 4.640 2.459 -8.375) 9.885 8.911 ( -3.778 2.351 -11.873) 12.679 9.561 ( -0.111 -2.803 23.036) 23.207 9.603 ( -0.059 -0.255 21.570) 21.572 10.348 ( -0.050 1.892 5.800) 6.101 10.466 ( 0.630 -4.522 11.478) 12.353 11.907 ( 1.409 9.207 15.290) 17.904 11.947 ( -1.341 -6.319 17.252) 18.422 13.135 ( 0.122 14.451 -3.677) 14.912 13.179 ( -0.016 -15.233 -3.071) 15.540 13.526 ( -0.146 16.189 8.188) 18.142 13.564 ( 0.438 -17.328 9.090) 19.573 13.861 ( -0.518 -4.916 12.902) 13.817 15.646 ( -0.837 -3.238 -14.864) 15.235 15.691 ( -0.184 -4.402 -5.128) 6.760 15.796 ( 1.182 8.644 -11.457) 14.401 20.050 ( -0.110 0.330 10.779) 10.785 20.857 ( 1.003 0.462 5.985) 6.086 21.291 ( -0.592 -7.091 -10.729) 12.874 22.035 ( -0.009 10.386 -12.073) 15.926 24.105 ( -0.277 -0.854 10.966) 11.003 25.034 ( 0.010 -0.186 -5.372) 5.375 ======================= Grid point 243 (84/155) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -0.000 4.820 6.883) 8.403 1.483 ( -0.000 12.535 2.277) 12.740 1.921 ( 0.000 -4.876 1.484) 5.097 1.934 ( 0.000 -4.353 6.353) 7.701 2.181 ( -0.000 3.864 -7.583) 8.511 2.533 ( 0.000 -0.068 -3.394) 3.395 2.570 ( -0.000 2.739 -9.065) 9.469 2.643 ( 0.000 -6.529 -5.000) 8.223 2.930 ( -0.000 0.380 -2.391) 2.421 3.136 ( -0.000 3.126 5.268) 6.126 3.242 ( -0.000 2.287 -2.742) 3.571 3.354 ( 0.000 -8.847 0.309) 8.852 3.742 ( -0.000 4.050 3.772) 5.535 4.004 ( -0.000 1.093 4.294) 4.431 4.113 ( -0.000 1.773 5.800) 6.065 4.205 ( 0.000 -0.425 -1.513) 1.571 4.390 ( 0.000 -1.766 5.460) 5.738 4.811 ( -0.000 3.595 -7.817) 8.604 4.905 ( 0.000 -3.021 -0.071) 3.022 5.608 ( 0.000 -5.745 5.940) 8.264 6.664 ( 0.000 -1.988 7.625) 7.880 6.997 ( 0.000 -4.143 -0.156) 4.146 7.203 ( -0.000 4.468 -7.027) 8.327 7.657 ( -0.000 9.190 2.202) 9.451 8.253 ( 0.000 -5.809 -6.031) 8.374 8.385 ( -0.000 4.809 -1.445) 5.021 8.797 ( -0.000 6.835 -12.598) 14.333 8.924 ( 0.000 -6.173 -5.120) 8.020 9.555 ( -0.000 3.675 23.064) 23.355 9.563 ( -0.000 4.737 13.237) 14.059 10.286 ( -0.000 5.137 0.422) 5.155 10.483 ( -0.000 2.311 13.327) 13.526 11.707 ( -0.000 10.019 18.267) 20.834 12.113 ( 0.000 -9.403 14.267) 17.087 12.778 ( -0.000 22.253 0.995) 22.276 13.321 ( -0.000 7.378 6.827) 10.052 13.358 ( 0.000 -3.929 -3.235) 5.090 13.889 ( 0.000 -17.800 8.196) 19.596 13.955 ( 0.000 -5.437 10.254) 11.606 15.609 ( -0.000 9.378 -9.097) 13.065 15.709 ( 0.000 -3.884 -13.612) 14.155 15.810 ( 0.000 -5.691 -7.479) 9.398 20.044 ( -0.000 0.146 10.280) 10.281 20.870 ( 0.000 -1.672 6.241) 6.461 21.425 ( 0.000 -7.667 -14.661) 16.545 21.922 ( -0.000 2.213 -9.710) 9.959 24.124 ( 0.000 -1.310 11.434) 11.509 25.039 ( 0.000 -0.211 -5.223) 5.228 ======================= Grid point 248 (85/155) ======================= q-point: ( 0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 11.983 0.000 11.498) 16.607 1.191 ( 10.461 0.000 9.759) 14.306 1.559 ( 7.822 0.000 4.126) 8.844 1.825 ( 0.896 0.000 -4.201) 4.295 2.225 ( -5.310 -0.000 4.575) 7.009 2.330 ( 2.900 0.000 11.776) 12.128 2.628 ( -2.647 -0.000 1.112) 2.871 2.801 ( 1.325 0.000 6.033) 6.177 2.926 ( 1.577 0.000 -2.815) 3.227 2.965 ( -0.475 -0.000 2.889) 2.928 3.332 ( -8.498 -0.000 2.780) 8.941 3.481 ( -10.076 -0.000 -2.742) 10.442 3.683 ( 3.016 0.000 1.308) 3.288 3.774 ( -1.610 -0.000 9.174) 9.314 4.423 ( 5.447 0.000 -4.701) 7.195 4.431 ( 6.032 0.000 -6.420) 8.809 4.596 ( -1.045 -0.000 -13.239) 13.280 4.706 ( 5.249 0.000 -4.517) 6.925 4.951 ( -2.226 -0.000 -4.189) 4.743 6.042 ( -0.069 -0.000 -14.122) 14.123 6.553 ( 0.708 0.000 -2.632) 2.726 6.829 ( -4.912 -0.000 -2.813) 5.660 7.066 ( -1.305 -0.000 -1.534) 2.014 7.680 ( 2.854 0.000 22.248) 22.430 7.738 ( 0.678 0.000 -8.779) 8.805 8.166 ( -11.330 -0.000 11.170) 15.910 8.573 ( 1.278 0.000 -13.232) 13.293 8.830 ( 6.203 0.000 24.056) 24.843 9.160 ( -1.861 -0.000 0.055) 1.862 9.281 ( -6.910 -0.000 9.545) 11.784 9.421 ( -5.172 -0.000 0.410) 5.188 10.259 ( 2.605 0.000 17.610) 17.802 11.355 ( -4.093 -0.000 12.391) 13.050 11.978 ( -7.036 -0.000 40.175) 40.787 12.581 ( 1.370 0.000 -7.422) 7.547 13.042 ( 1.642 0.000 -0.353) 1.679 13.179 ( 0.398 0.000 -9.838) 9.846 13.577 ( -6.253 -0.000 15.777) 16.971 14.997 ( 3.650 0.000 -13.959) 14.428 15.536 ( -10.863 -0.000 -10.979) 15.445 15.567 ( 14.080 0.000 -19.945) 24.414 16.199 ( 5.813 0.000 -5.277) 7.851 20.185 ( -1.475 -0.000 5.857) 6.040 20.601 ( -11.948 -0.000 12.656) 17.405 21.067 ( 0.482 0.000 5.550) 5.571 23.583 ( 26.059 0.000 -37.297) 45.498 24.278 ( -5.596 -0.000 2.322) 6.059 24.876 ( 0.468 0.000 1.269) 1.353 ======================= Grid point 249 (86/155) ======================= q-point: ( 0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 8.246 0.204 12.824) 15.248 1.294 ( 10.230 -3.100 7.865) 13.271 1.557 ( 3.197 2.900 -1.103) 4.455 1.864 ( 1.545 -3.616 -5.936) 7.120 2.227 ( -0.242 -0.973 7.137) 7.207 2.326 ( -1.375 1.742 7.460) 7.783 2.594 ( -3.783 -0.354 -3.194) 4.963 2.856 ( 4.160 -2.249 9.835) 10.913 2.929 ( 1.651 1.446 1.156) 2.481 3.024 ( 0.352 -5.671 1.387) 5.849 3.201 ( -8.224 4.443 2.697) 9.729 3.460 ( -10.170 -2.781 -3.094) 10.988 3.710 ( 5.594 -0.272 3.768) 6.750 3.801 ( 0.556 -3.619 8.413) 9.175 4.262 ( 2.664 11.572 -6.953) 13.760 4.513 ( -1.890 -4.145 -8.742) 9.857 4.634 ( 0.394 0.757 -5.790) 5.853 4.765 ( 9.839 -0.450 -4.042) 10.646 5.001 ( 0.120 -5.832 -5.427) 7.968 5.972 ( -0.203 7.134 -9.146) 11.602 6.597 ( -6.019 4.328 -3.075) 8.026 6.710 ( -5.591 -2.576 -3.032) 6.863 7.086 ( 2.336 -7.525 3.816) 8.754 7.571 ( 8.034 4.715 2.997) 9.786 7.991 ( -8.446 6.754 8.659) 13.853 8.287 ( 1.776 -32.940 2.618) 33.092 8.567 ( -0.978 -2.793 -12.643) 12.985 8.982 ( 3.386 -9.805 18.626) 21.319 9.111 ( -1.589 1.806 7.411) 7.792 9.289 ( -6.428 -3.748 1.566) 7.604 9.362 ( -3.857 2.169 4.101) 6.033 10.287 ( 1.554 -1.245 16.544) 16.664 11.355 ( -4.282 -2.653 15.681) 16.470 11.979 ( -2.762 -4.738 34.455) 34.889 12.625 ( 2.358 -3.015 -4.632) 6.008 12.957 ( -1.478 7.609 -0.976) 7.812 13.229 ( 0.373 -3.602 -7.530) 8.355 13.577 ( -4.184 -3.373 14.145) 15.131 14.951 ( 4.506 9.136 -9.734) 14.090 15.440 ( -2.865 2.383 -13.328) 13.839 15.617 ( 1.659 1.232 -16.086) 16.219 16.228 ( 4.786 0.872 -5.934) 7.673 20.120 ( -1.051 4.059 8.712) 9.668 20.666 ( -7.373 -11.113 6.183) 14.700 21.052 ( 0.136 1.818 5.516) 5.809 23.592 ( 20.129 16.018 -38.994) 46.715 24.189 ( -5.962 3.954 8.338) 10.986 24.914 ( 0.005 -3.394 0.264) 3.404 ======================= Grid point 250 (87/155) ======================= q-point: ( 0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 2.450 -2.467 9.835) 10.432 1.395 ( 10.337 -0.178 5.085) 11.521 1.545 ( -1.853 -1.760 4.025) 4.767 1.965 ( 1.934 -5.408 -8.056) 9.893 2.183 ( -0.541 3.381 5.106) 6.148 2.320 ( -1.719 -1.656 1.299) 2.718 2.589 ( -4.512 -0.823 -4.654) 6.534 2.829 ( 0.773 5.823 -1.024) 5.963 2.947 ( 2.180 0.790 8.090) 8.416 3.015 ( -5.227 -0.118 4.823) 7.114 3.247 ( 3.781 -6.809 3.114) 8.388 3.430 ( -6.995 -0.439 -4.786) 8.487 3.761 ( 5.789 -1.134 7.033) 9.179 3.887 ( 0.163 -4.039 8.043) 9.002 4.126 ( 3.222 4.930 -3.217) 6.710 4.557 ( -0.786 -0.747 -6.898) 6.983 4.578 ( -0.440 4.429 -1.680) 4.757 4.817 ( 3.951 -1.387 -1.214) 4.360 5.070 ( 2.258 0.703 -6.214) 6.649 5.818 ( 0.609 8.940 -1.549) 9.094 6.433 ( -8.966 2.407 3.583) 9.951 6.864 ( -0.807 -10.822 -13.566) 17.372 7.273 ( 0.223 -6.140 -2.102) 6.494 7.581 ( 9.872 -1.691 6.181) 11.769 7.834 ( -9.201 0.722 5.925) 10.967 8.462 ( 3.135 3.973 -14.573) 15.427 8.913 ( 8.388 -9.395 -2.172) 12.781 9.090 ( -2.768 1.210 1.898) 3.568 9.187 ( -0.846 -14.539 6.560) 15.973 9.348 ( -1.440 -4.599 16.919) 17.592 9.409 ( -9.382 -21.216 5.968) 23.953 10.314 ( 0.029 -1.204 14.675) 14.725 11.404 ( -2.953 -6.066 21.098) 22.151 12.133 ( -0.023 -13.250 22.045) 25.720 12.648 ( 6.595 8.421 1.486) 10.799 12.842 ( -7.345 -3.288 0.163) 8.049 13.295 ( 0.123 -3.519 -5.460) 6.497 13.627 ( -2.733 -4.214 13.752) 14.640 14.708 ( 3.006 19.636 -1.475) 19.920 15.441 ( 1.380 -2.501 -14.548) 14.826 15.590 ( -3.419 0.268 -12.582) 13.041 16.211 ( 3.243 4.166 -6.872) 8.666 20.066 ( -0.294 1.459 10.122) 10.231 20.832 ( -2.546 -9.949 -0.808) 10.301 21.010 ( -1.236 2.182 4.979) 5.575 23.272 ( 11.234 28.874 -35.615) 47.205 24.114 ( -3.147 1.170 13.719) 14.124 24.977 ( -0.197 -3.250 -1.793) 3.717 ======================= Grid point 251 (88/155) ======================= q-point: ( 0.60 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 1.950 -4.931 4.872) 7.201 1.442 ( 2.946 -1.418 5.963) 6.801 1.579 ( -1.822 -2.742 9.053) 9.633 2.010 ( 0.183 1.831 -0.217) 1.853 2.207 ( 0.903 -6.103 -10.214) 11.932 2.334 ( -0.763 -0.752 -0.359) 1.130 2.551 ( -2.852 1.935 -2.826) 4.457 2.716 ( -0.881 5.806 -4.301) 7.279 2.909 ( 1.644 2.429 -0.367) 2.956 3.038 ( -2.121 -2.393 7.958) 8.576 3.347 ( 1.078 -1.553 4.641) 5.011 3.410 ( -1.403 -0.763 -6.161) 6.364 3.826 ( 3.040 -3.124 8.986) 9.988 3.938 ( 1.632 -2.043 6.913) 7.391 4.064 ( -0.881 5.161 3.198) 6.135 4.494 ( 0.737 5.016 1.457) 5.275 4.522 ( 0.612 4.339 -0.502) 4.411 4.856 ( -0.872 -1.380 -3.085) 3.490 5.046 ( 1.760 1.683 -4.997) 5.558 5.681 ( 0.644 6.821 3.022) 7.488 6.392 ( -3.679 -1.536 -0.313) 3.999 7.041 ( 0.136 -8.460 -12.958) 15.475 7.250 ( 0.583 5.409 -1.686) 5.696 7.667 ( 2.208 -2.672 4.100) 5.368 7.972 ( -2.771 -16.870 0.738) 17.112 8.375 ( 0.635 6.800 -17.095) 18.409 8.959 ( 4.253 2.813 -7.445) 9.024 9.036 ( -2.031 3.042 -2.807) 4.610 9.323 ( -1.640 -6.665 13.522) 15.164 9.473 ( 0.779 -6.598 26.734) 27.547 9.907 ( -2.542 -28.513 3.574) 28.849 10.336 ( -0.501 -1.533 12.070) 12.177 11.554 ( -0.520 -11.460 22.964) 25.670 12.420 ( 2.662 3.455 7.557) 8.725 12.442 ( -0.809 -7.339 8.342) 11.140 12.985 ( -2.218 -13.360 3.905) 14.095 13.345 ( -0.117 -1.260 -4.844) 5.006 13.686 ( -1.409 -3.835 14.696) 15.254 14.327 ( 0.899 23.239 4.127) 23.620 15.516 ( 2.694 -3.668 -14.313) 15.020 15.578 ( -3.732 -1.628 -10.835) 11.575 16.119 ( 1.535 7.550 -7.951) 11.072 20.054 ( -0.020 0.114 10.676) 10.676 20.929 ( 2.830 2.143 4.517) 5.745 21.017 ( -4.112 -7.835 -4.537) 9.944 22.779 ( 3.933 29.319 -25.941) 39.345 24.092 ( -1.004 0.088 12.987) 13.026 25.018 ( -0.093 -1.443 -3.715) 3.987 ======================= Grid point 252 (89/155) ======================= q-point: ( 0.70 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.000 4.178 4.582) 6.201 1.525 ( 0.000 -6.995 5.278) 8.762 1.651 ( 0.000 -6.833 9.118) 11.394 1.941 ( -0.000 5.342 1.785) 5.633 2.329 ( -0.000 1.489 -3.943) 4.215 2.347 ( 0.000 -8.181 -12.168) 14.662 2.510 ( -0.000 1.044 -3.382) 3.540 2.632 ( -0.000 2.899 -9.455) 9.889 2.889 ( -0.000 0.328 0.641) 0.720 3.079 ( 0.000 -3.763 4.509) 5.872 3.330 ( -0.000 3.089 6.219) 6.944 3.408 ( -0.000 1.885 -6.848) 7.103 3.889 ( -0.000 1.747 4.626) 4.945 3.955 ( 0.000 -0.849 8.085) 8.129 4.003 ( 0.000 -2.835 6.970) 7.524 4.391 ( -0.000 6.702 3.970) 7.789 4.428 ( -0.000 5.269 4.779) 7.113 4.871 ( 0.000 -0.494 -2.679) 2.725 5.012 ( -0.000 3.767 -6.732) 7.714 5.582 ( -0.000 4.110 4.938) 6.424 6.436 ( 0.000 -4.910 -1.837) 5.243 7.142 ( -0.000 6.526 1.955) 6.812 7.161 ( 0.000 -4.923 -7.465) 8.942 7.763 ( 0.000 -6.229 0.225) 6.233 8.239 ( 0.000 -12.443 -4.361) 13.185 8.240 ( -0.000 7.551 -15.934) 17.632 8.932 ( -0.000 1.779 -15.279) 15.382 8.948 ( -0.000 5.216 -1.973) 5.577 9.457 ( 0.000 -7.764 20.301) 21.735 9.566 ( 0.000 -3.638 26.402) 26.651 10.293 ( 0.000 -15.262 8.739) 17.587 10.358 ( 0.000 -0.720 8.974) 9.003 11.763 ( 0.000 -10.913 20.419) 23.152 12.156 ( -0.000 14.659 11.224) 18.462 12.816 ( 0.000 -22.162 0.454) 22.167 13.257 ( 0.000 -16.806 7.365) 18.349 13.313 ( -0.000 5.221 -4.542) 6.920 13.752 ( 0.000 -3.268 13.132) 13.533 13.912 ( -0.000 21.709 8.472) 23.303 15.588 ( 0.000 -3.007 -15.802) 16.086 15.611 ( 0.000 -3.759 -7.319) 8.228 15.969 ( -0.000 9.395 -9.276) 13.203 20.053 ( -0.000 0.056 10.945) 10.945 20.887 ( -0.000 2.344 5.780) 6.237 21.153 ( 0.000 -7.815 -8.144) 11.287 22.326 ( -0.000 21.456 -17.474) 27.672 24.092 ( 0.000 -0.443 11.655) 11.663 25.031 ( 0.000 -0.231 -4.902) 4.907 ======================= Grid point 260 (90/155) ======================= q-point: ( 0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 10.862 0.000 12.542) 16.592 1.300 ( 6.162 0.000 7.143) 9.434 1.613 ( 0.380 0.000 -6.985) 6.995 1.837 ( 0.854 0.000 -4.816) 4.891 2.171 ( -3.128 -0.000 4.066) 5.130 2.401 ( 8.095 0.000 15.732) 17.692 2.590 ( -3.828 -0.000 1.341) 4.056 2.784 ( -2.108 -0.000 8.406) 8.667 2.981 ( 2.604 0.000 2.812) 3.832 2.988 ( 6.393 0.000 -2.791) 6.976 3.200 ( -10.635 -0.000 5.373) 11.915 3.339 ( -10.566 -0.000 0.192) 10.568 3.743 ( 4.751 0.000 -0.378) 4.766 3.767 ( -0.118 -0.000 8.976) 8.977 4.452 ( -0.065 -0.000 -9.162) 9.162 4.463 ( -0.179 -0.000 -12.943) 12.944 4.616 ( 3.396 0.000 -11.296) 11.796 4.775 ( 4.861 0.000 -1.321) 5.037 4.924 ( -1.943 -0.000 -3.551) 4.047 6.041 ( -0.045 -0.000 -16.802) 16.802 6.566 ( 1.185 0.000 -3.372) 3.574 6.770 ( -3.873 -0.000 -2.976) 4.885 7.067 ( 0.953 0.000 1.238) 1.562 7.698 ( 0.380 0.000 29.763) 29.766 7.765 ( 4.026 0.000 -3.372) 5.251 8.014 ( -11.952 -0.000 10.224) 15.728 8.587 ( 0.806 0.000 -17.985) 18.003 8.910 ( 5.786 0.000 27.917) 28.511 9.141 ( -1.065 -0.000 2.821) 3.015 9.208 ( -4.807 -0.000 3.657) 6.040 9.372 ( -2.380 -0.000 -1.476) 2.801 10.287 ( 1.568 0.000 16.884) 16.957 11.309 ( -2.790 -0.000 14.841) 15.101 11.920 ( -2.511 -0.000 39.629) 39.709 12.596 ( 0.839 0.000 -7.509) 7.555 13.054 ( 0.321 0.000 -0.644) 0.720 13.183 ( 0.246 0.000 -9.999) 10.002 13.525 ( -2.320 -0.000 12.692) 12.902 15.054 ( 4.828 0.000 -11.985) 12.921 15.405 ( -8.976 -0.000 -13.405) 16.133 15.694 ( 6.263 0.000 -20.982) 21.897 16.258 ( 3.292 0.000 -5.021) 6.004 20.170 ( -0.851 -0.000 5.576) 5.641 20.497 ( -4.941 -0.000 13.367) 14.251 21.072 ( 0.248 0.000 5.623) 5.628 23.854 ( 17.046 0.000 -34.660) 38.625 24.190 ( -8.194 -0.000 0.135) 8.195 24.881 ( 0.284 0.000 1.412) 1.440 ======================= Grid point 261 (91/155) ======================= q-point: ( 0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 3.155 3.731 12.010) 12.966 1.396 ( 4.886 -4.452 8.227) 10.554 1.575 ( 0.073 3.252 -7.277) 7.971 1.881 ( 0.889 -4.231 -7.500) 8.657 2.224 ( -0.373 -5.444 3.751) 6.622 2.327 ( 1.204 9.869 15.684) 18.570 2.550 ( -2.605 -0.591 -6.239) 6.787 2.892 ( 1.518 -5.855 11.780) 13.242 2.953 ( 2.909 3.359 2.527) 5.112 3.008 ( -4.391 2.354 3.331) 5.993 3.161 ( 2.642 -4.219 1.596) 5.228 3.331 ( -8.189 -3.971 -0.779) 9.134 3.775 ( 3.259 -1.193 6.632) 7.486 3.808 ( 0.407 -3.763 3.894) 5.430 4.279 ( 0.375 11.046 -9.650) 14.672 4.488 ( -1.257 -3.714 -10.598) 11.300 4.637 ( 0.084 2.129 -4.651) 5.116 4.868 ( 5.136 1.354 -2.759) 5.985 4.996 ( -0.779 -10.219 -7.167) 12.506 5.969 ( -0.119 7.016 -11.049) 13.089 6.533 ( -2.949 14.336 3.776) 15.116 6.671 ( -1.301 -8.530 -8.411) 12.050 7.103 ( 0.548 -7.864 5.417) 9.565 7.685 ( 8.770 3.751 3.779) 10.260 7.871 ( -9.153 6.666 8.231) 13.998 8.301 ( 0.455 -43.548 10.276) 44.746 8.556 ( -0.473 2.401 -15.985) 16.172 9.022 ( 2.465 -6.306 21.868) 22.892 9.092 ( -1.468 1.395 4.546) 4.977 9.241 ( -1.252 -3.385 0.774) 3.691 9.322 ( -2.112 2.666 2.467) 4.202 10.301 ( 0.598 -0.642 16.026) 16.050 11.315 ( -1.715 -2.299 17.401) 17.636 11.958 ( -0.710 -5.907 34.305) 34.817 12.645 ( 0.828 -4.768 -5.311) 7.185 12.944 ( -0.548 10.149 -1.120) 10.225 13.232 ( 0.101 -3.554 -7.639) 8.426 13.545 ( -1.137 -3.199 12.407) 12.863 15.000 ( 2.561 9.853 -8.021) 12.961 15.382 ( -3.532 -2.720 -15.084) 15.729 15.649 ( 1.753 6.065 -16.912) 18.052 16.271 ( 1.726 0.860 -5.848) 6.158 20.111 ( -0.374 3.788 8.695) 9.492 20.607 ( -2.143 -11.673 6.465) 13.515 21.054 ( 0.048 2.096 5.623) 6.001 23.783 ( 9.080 18.747 -43.862) 48.557 24.112 ( -4.780 1.350 13.284) 14.183 24.914 ( 0.019 -3.148 0.459) 3.181 ======================= Grid point 262 (92/155) ======================= q-point: ( 0.60 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.000 -2.075 9.332) 9.560 1.499 ( -0.000 4.593 -0.118) 4.594 1.502 ( 0.000 -4.965 8.166) 9.557 1.980 ( 0.000 -5.246 -9.103) 10.506 2.180 ( -0.000 4.203 6.286) 7.561 2.307 ( 0.000 -2.653 1.802) 3.207 2.554 ( 0.000 -0.314 -4.510) 4.521 2.833 ( -0.000 7.032 -0.521) 7.052 2.947 ( -0.000 1.620 0.432) 1.677 2.999 ( 0.000 -2.233 13.370) 13.555 3.286 ( 0.000 -5.773 2.401) 6.252 3.366 ( 0.000 -2.837 -3.534) 4.532 3.810 ( 0.000 -0.716 9.310) 9.338 3.878 ( 0.000 -3.862 4.151) 5.670 4.152 ( -0.000 4.282 -2.579) 4.999 4.546 ( 0.000 -1.971 -8.403) 8.631 4.575 ( -0.000 4.069 -1.520) 4.343 4.846 ( -0.000 1.183 -0.897) 1.485 5.084 ( -0.000 0.642 -5.844) 5.880 5.824 ( -0.000 8.473 -2.593) 8.861 6.372 ( -0.000 2.031 4.429) 4.873 6.858 ( 0.000 -11.288 -14.099) 18.061 7.273 ( 0.000 -5.837 -1.342) 5.989 7.709 ( 0.000 -6.415 4.887) 8.064 7.712 ( -0.000 5.582 6.960) 8.922 8.483 ( -0.000 4.788 -16.482) 17.164 8.998 ( 0.000 -12.855 2.235) 13.048 9.049 ( -0.000 3.895 -0.014) 3.895 9.177 ( 0.000 -17.532 2.167) 17.665 9.338 ( 0.000 -16.953 6.372) 18.111 9.347 ( 0.000 -6.699 21.319) 22.346 10.315 ( 0.000 -0.775 14.356) 14.377 11.384 ( 0.000 -6.520 21.742) 22.699 12.133 ( 0.000 -13.688 22.411) 26.261 12.712 ( -0.000 14.672 1.832) 14.786 12.775 ( 0.000 -9.061 -0.860) 9.102 13.296 ( 0.000 -3.460 -5.534) 6.527 13.611 ( 0.000 -4.112 13.207) 13.833 14.729 ( -0.000 20.093 -1.181) 20.127 15.447 ( 0.000 -4.699 -15.756) 16.442 15.570 ( -0.000 2.362 -12.127) 12.355 16.232 ( -0.000 4.242 -6.868) 8.073 20.064 ( -0.000 1.320 10.147) 10.233 20.817 ( 0.000 -11.471 -1.242) 11.538 21.003 ( -0.000 3.390 5.623) 6.565 23.345 ( -0.000 30.336 -36.817) 47.705 24.091 ( -0.000 0.240 14.697) 14.699 24.975 ( 0.000 -3.220 -1.691) 3.637 ======================= Grid point 273 (93/155) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 0.000 0.000 15.050) 15.050 1.340 ( 0.000 0.000 6.346) 6.346 1.602 ( -0.000 0.000 -12.555) 12.555 1.843 ( 0.000 0.000 -5.323) 5.323 2.150 ( 0.000 0.000 3.945) 3.945 2.495 ( -0.000 0.000 25.364) 25.364 2.532 ( 0.000 0.000 -7.533) 7.533 2.769 ( 0.000 0.000 8.502) 8.502 3.011 ( 0.000 0.000 1.881) 1.881 3.043 ( 0.000 0.000 -1.913) 1.913 3.113 ( -0.000 0.000 7.260) 7.260 3.256 ( -0.000 0.000 1.030) 1.030 3.766 ( -0.000 0.000 8.714) 8.714 3.777 ( 0.000 0.000 -0.322) 0.322 4.448 ( 0.000 0.000 -11.147) 11.147 4.456 ( 0.000 0.000 -15.414) 15.414 4.644 ( -0.000 0.000 -9.838) 9.838 4.809 ( 0.000 0.000 -0.514) 0.514 4.909 ( 0.000 0.000 -3.468) 3.468 6.041 ( 0.000 0.000 -17.780) 17.780 6.576 ( 0.000 0.000 -3.862) 3.862 6.743 ( 0.000 0.000 -2.881) 2.881 7.075 ( -0.000 0.000 1.780) 1.780 7.699 ( 0.000 0.000 32.726) 32.726 7.822 ( -0.000 0.000 -0.498) 0.498 7.903 ( 0.000 0.000 9.413) 9.413 8.592 ( 0.000 0.000 -19.683) 19.683 8.954 ( 0.000 0.000 33.019) 33.019 9.134 ( 0.000 0.000 3.878) 3.878 9.171 ( 0.000 0.000 -2.498) 2.498 9.358 ( -0.000 0.000 -2.303) 2.303 10.297 ( 0.000 0.000 16.629) 16.629 11.291 ( 0.000 0.000 15.744) 15.744 11.905 ( 0.000 0.000 39.185) 39.185 12.601 ( 0.000 0.000 -7.541) 7.541 13.055 ( 0.000 0.000 -0.659) 0.659 13.185 ( 0.000 0.000 -10.060) 10.060 13.511 ( 0.000 0.000 11.638) 11.638 15.094 ( -0.000 0.000 -10.100) 10.100 15.338 ( 0.000 0.000 -15.463) 15.463 15.733 ( 0.000 0.000 -21.120) 21.120 16.279 ( 0.000 0.000 -4.920) 4.920 20.164 ( 0.000 0.000 5.477) 5.477 20.467 ( 0.000 0.000 13.491) 13.491 21.074 ( 0.000 0.000 5.644) 5.644 24.000 ( 0.000 0.000 -50.626) 50.626 24.098 ( -0.000 0.000 16.524) 16.524 24.883 ( 0.000 0.000 1.465) 1.465 ======================= Grid point 321 (94/155) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 0.000 0.000 2.335) 2.335 1.254 ( 0.000 0.000 16.915) 16.915 1.653 ( 0.000 0.000 -12.310) 12.310 1.735 ( 0.000 0.000 5.883) 5.883 2.326 ( 0.000 0.000 0.870) 0.870 2.422 ( 0.000 0.000 -8.975) 8.975 2.585 ( 0.000 0.000 6.312) 6.312 2.737 ( 0.000 0.000 2.417) 2.417 3.054 ( 0.000 0.000 -0.572) 0.572 3.062 ( 0.000 0.000 1.968) 1.968 3.450 ( 0.000 0.000 8.332) 8.332 3.664 ( 0.000 0.000 5.638) 5.638 3.765 ( 0.000 0.000 5.856) 5.856 4.022 ( 0.000 0.000 2.709) 2.709 4.315 ( 0.000 0.000 5.030) 5.030 4.326 ( 0.000 0.000 -11.712) 11.712 4.357 ( 0.000 0.000 5.236) 5.236 4.527 ( 0.000 0.000 -7.697) 7.697 4.891 ( 0.000 0.000 1.231) 1.231 5.871 ( 0.000 0.000 -11.038) 11.038 6.547 ( 0.000 0.000 1.955) 1.955 6.826 ( 0.000 0.000 -4.763) 4.763 6.929 ( 0.000 0.000 -12.430) 12.430 7.378 ( 0.000 0.000 -18.736) 18.736 7.763 ( 0.000 0.000 11.751) 11.751 8.405 ( 0.000 0.000 -8.837) 8.837 8.619 ( 0.000 0.000 8.540) 8.540 8.949 ( 0.000 0.000 2.933) 2.933 9.174 ( 0.000 0.000 2.951) 2.951 9.572 ( 0.000 0.000 -6.073) 6.073 9.883 ( 0.000 0.000 27.257) 27.257 10.557 ( 0.000 0.000 14.564) 14.564 11.630 ( 0.000 0.000 10.560) 10.560 12.363 ( 0.000 0.000 -10.462) 10.462 12.630 ( 0.000 0.000 6.601) 6.601 12.958 ( 0.000 0.000 -10.437) 10.437 13.227 ( 0.000 0.000 20.625) 20.625 14.582 ( 0.000 0.000 -20.067) 20.067 14.679 ( 0.000 0.000 10.360) 10.360 14.749 ( 0.000 0.000 22.837) 22.837 15.621 ( 0.000 0.000 -13.688) 13.688 15.818 ( 0.000 0.000 -10.344) 10.344 20.398 ( 0.000 0.000 9.751) 9.751 21.183 ( 0.000 0.000 7.835) 7.835 21.258 ( 0.000 0.000 -17.418) 17.418 21.855 ( 0.000 0.000 -12.875) 12.875 24.577 ( 0.000 0.000 9.445) 9.445 24.869 ( 0.000 0.000 -0.437) 0.437 ======================= Grid point 322 (95/155) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 4.378 -5.713 2.700) 7.688 1.340 ( 1.085 -5.802 15.323) 16.421 1.674 ( 0.080 -1.959 -10.524) 10.705 1.732 ( -0.423 -2.805 6.818) 7.384 2.257 ( 0.544 5.511 -0.811) 5.596 2.450 ( -0.499 -1.214 -6.775) 6.901 2.555 ( 1.879 2.696 3.831) 5.047 2.757 ( -1.831 -0.967 1.493) 2.553 2.960 ( 2.588 5.130 2.956) 6.462 3.125 ( -0.487 -2.125 -2.510) 3.325 3.351 ( 1.368 6.975 8.972) 11.446 3.673 ( -12.556 -2.645 5.525) 13.971 3.823 ( 9.445 -1.165 6.679) 11.627 4.027 ( -1.567 -1.148 4.323) 4.739 4.205 ( -3.428 6.829 -1.652) 7.818 4.301 ( 4.600 2.928 0.174) 5.456 4.402 ( -0.619 -2.050 -3.818) 4.378 4.576 ( 0.504 -3.968 -6.100) 7.295 4.941 ( 0.329 -4.571 2.862) 5.403 5.865 ( -0.905 0.763 -8.748) 8.827 6.651 ( -3.640 -9.664 -1.242) 10.401 6.770 ( 5.923 1.712 -3.168) 6.932 7.027 ( -4.994 -5.958 -10.115) 12.757 7.256 ( 4.900 6.404 -7.928) 11.308 8.015 ( 1.103 -18.731 -0.349) 18.767 8.399 ( -4.055 -0.245 -8.170) 9.124 8.514 ( 0.912 8.660 8.775) 12.362 8.988 ( 0.788 -1.688 -2.678) 3.262 9.209 ( 0.412 -4.260 3.967) 5.835 9.584 ( -3.095 -3.417 -6.113) 7.657 9.884 ( -0.060 -0.946 29.438) 29.453 10.586 ( 0.051 -2.890 13.983) 14.279 11.681 ( -0.294 -5.470 10.620) 11.949 12.347 ( 0.448 1.025 -5.199) 5.318 12.616 ( 0.673 1.453 7.124) 7.302 13.012 ( -0.199 -5.493 -9.235) 10.747 13.255 ( -1.130 -3.069 18.574) 18.859 14.444 ( -8.052 7.435 3.141) 11.401 14.631 ( -4.432 0.883 3.335) 5.617 14.922 ( 11.086 -6.852 5.581) 14.177 15.593 ( -4.002 1.340 -14.091) 14.709 15.828 ( 3.131 0.492 -10.837) 11.291 20.357 ( -0.748 3.563 10.268) 10.895 21.165 ( -1.379 2.062 6.284) 6.756 21.207 ( -11.359 0.145 -14.464) 18.392 21.893 ( 17.341 3.146 -15.623) 23.552 24.538 ( -0.672 3.351 10.776) 11.305 24.899 ( 0.022 -2.470 -1.520) 2.900 ======================= Grid point 323 (96/155) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 5.470 -5.740 4.710) 9.222 1.406 ( 2.209 -1.990 15.515) 15.797 1.725 ( -0.918 -3.993 -8.032) 9.016 1.860 ( -2.484 -9.714 3.029) 10.474 2.177 ( 1.748 4.013 -1.175) 4.532 2.433 ( -2.230 1.715 -2.818) 3.982 2.532 ( 4.748 2.852 -3.219) 6.406 2.712 ( -5.497 2.785 -0.125) 6.163 2.942 ( 8.286 1.030 1.510) 8.485 3.145 ( -1.018 -0.813 -4.042) 4.247 3.255 ( 2.474 5.108 6.691) 8.774 3.612 ( -11.582 0.574 6.315) 13.204 3.841 ( 4.865 4.700 4.094) 7.907 3.994 ( -6.697 1.185 5.203) 8.563 4.151 ( 2.610 -1.844 4.808) 5.773 4.304 ( 9.125 1.207 -3.113) 9.717 4.436 ( 0.379 -2.436 -1.941) 3.138 4.638 ( 0.969 -1.898 -6.323) 6.673 5.011 ( -0.421 -2.096 5.482) 5.884 5.827 ( -0.884 2.675 -4.520) 5.326 6.707 ( -2.102 -2.185 -0.139) 3.035 6.859 ( -3.266 -2.207 -1.547) 4.234 7.079 ( -4.246 -7.661 -8.152) 11.965 7.330 ( 10.171 -6.873 -5.682) 13.527 8.198 ( -2.296 1.271 -3.275) 4.197 8.298 ( -5.689 4.866 5.176) 9.102 8.521 ( 3.913 -6.271 -8.533) 11.289 8.969 ( 0.704 4.441 -9.728) 10.717 9.353 ( 0.619 -11.933 6.963) 13.830 9.707 ( -3.770 -13.626 -5.951) 15.339 9.940 ( 0.807 -4.998 31.223) 31.630 10.643 ( -0.826 -3.199 12.630) 13.055 11.805 ( -0.473 -8.095 12.408) 14.822 12.371 ( 0.877 -4.147 1.945) 4.663 12.589 ( 1.399 2.365 9.120) 9.525 13.129 ( -0.606 -7.258 -7.172) 10.222 13.307 ( -2.434 -3.756 15.736) 16.361 14.283 ( -7.448 4.626 9.427) 12.874 14.554 ( 0.125 6.851 4.744) 8.334 15.088 ( 3.877 -6.462 -3.313) 8.232 15.531 ( -4.378 2.423 -15.475) 16.263 15.822 ( 3.754 2.946 -11.409) 12.367 20.292 ( -0.498 2.584 10.721) 11.040 21.081 ( -9.606 2.030 -4.870) 10.959 21.157 ( -2.555 1.088 -1.431) 3.124 21.921 ( 18.461 7.035 -18.195) 26.858 24.470 ( -0.806 3.375 12.363) 12.841 24.934 ( -0.200 -1.260 -3.323) 3.560 ======================= Grid point 324 (97/155) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 6.406 -5.880 8.393) 12.086 1.482 ( 1.857 -4.661 11.692) 12.723 1.803 ( -0.595 -5.292 -6.427) 8.347 1.974 ( -4.084 -4.243 0.315) 5.898 2.123 ( 0.970 3.073 -0.198) 3.228 2.386 ( -2.366 1.411 -2.636) 3.813 2.491 ( 3.231 4.271 -7.295) 9.050 2.613 ( -4.293 4.708 -2.430) 6.819 2.976 ( 5.710 1.708 -1.322) 6.105 3.116 ( -1.511 2.196 -0.687) 2.753 3.235 ( 3.196 -0.075 -0.448) 3.228 3.512 ( -5.335 4.204 3.419) 7.604 3.789 ( 3.141 1.307 1.637) 3.776 3.971 ( -4.515 -2.524 7.658) 9.241 4.213 ( 1.413 -2.576 6.243) 6.899 4.361 ( 10.963 0.663 -1.106) 11.038 4.500 ( 1.753 -3.278 2.682) 4.584 4.652 ( 1.301 0.876 -6.584) 6.768 5.006 ( -0.422 1.399 7.971) 8.104 5.761 ( -0.508 4.189 -0.631) 4.267 6.718 ( -6.682 -2.149 3.043) 7.650 6.889 ( -5.211 -5.972 -3.597) 8.704 7.122 ( 0.918 2.400 -4.442) 5.132 7.564 ( 7.870 -9.854 -4.810) 13.497 8.075 ( -5.272 6.220 -6.143) 10.209 8.243 ( -3.989 -1.908 -0.045) 4.422 8.592 ( 2.805 1.694 -10.034) 10.555 8.871 ( 1.836 6.262 -11.449) 13.178 9.624 ( 0.506 -16.197 11.369) 19.795 9.996 ( -1.267 -16.549 2.718) 16.818 10.060 ( 1.213 -8.691 23.163) 24.770 10.679 ( -2.369 -1.802 10.876) 11.276 11.962 ( 0.641 -9.345 17.063) 19.465 12.494 ( -0.587 -4.269 6.277) 7.614 12.567 ( 2.187 -3.302 8.768) 9.621 13.238 ( -0.802 -4.388 -6.647) 8.005 13.365 ( -2.790 -5.408 14.576) 15.795 14.185 ( -4.582 2.230 11.058) 12.176 14.374 ( 0.477 13.324 8.535) 15.831 15.213 ( -1.083 -6.636 -9.470) 11.614 15.456 ( -2.490 3.207 -16.669) 17.157 15.766 ( 3.264 5.686 -11.356) 13.113 20.266 ( 0.290 0.283 10.952) 10.960 20.997 ( -6.564 1.429 -3.299) 7.484 21.127 ( -1.193 0.800 -1.562) 2.122 21.877 ( 12.824 8.430 -17.448) 23.237 24.410 ( -0.730 2.717 12.658) 12.967 24.940 ( -0.260 0.375 -4.849) 4.870 ======================= Grid point 325 (98/155) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 7.304 -7.749 9.430) 14.224 1.561 ( -1.105 -2.619 6.887) 7.451 1.890 ( -0.798 -3.556 -2.222) 4.268 1.956 ( -2.805 2.167 0.893) 3.656 2.106 ( 1.426 -1.310 -1.740) 2.603 2.344 ( -2.513 2.871 -6.407) 7.457 2.429 ( 0.259 3.785 -6.762) 7.754 2.503 ( -1.298 4.134 -4.434) 6.200 2.957 ( -1.794 0.581 1.467) 2.389 3.078 ( 1.876 2.799 -3.376) 4.770 3.260 ( 0.972 -1.679 -2.562) 3.213 3.408 ( 0.240 5.281 -2.103) 5.689 3.831 ( 2.352 -2.169 3.523) 4.759 4.038 ( -1.036 -6.629 5.154) 8.461 4.256 ( -0.047 -1.810 5.605) 5.890 4.385 ( 6.877 3.703 2.454) 8.187 4.522 ( 0.755 1.535 3.977) 4.329 4.644 ( 0.871 1.005 0.641) 1.476 5.009 ( 1.355 -2.106 6.513) 6.978 5.675 ( -0.214 4.639 1.043) 4.759 6.731 ( -8.887 -5.224 3.603) 10.920 6.923 ( -1.041 2.752 -2.525) 3.877 7.099 ( 1.747 -1.649 -2.619) 3.554 7.728 ( 4.452 -4.251 -7.387) 9.616 7.939 ( -3.817 5.379 -7.138) 9.719 8.306 ( -3.087 -6.565 -4.557) 8.567 8.538 ( 1.162 4.354 -12.995) 13.754 8.783 ( 2.300 4.856 -10.906) 12.158 9.893 ( 0.406 -12.583 16.884) 21.061 10.111 ( -0.362 -1.570 24.835) 24.887 10.339 ( 2.824 -14.033 3.385) 14.709 10.671 ( -3.709 0.650 8.608) 9.395 12.136 ( 1.792 -8.372 20.414) 22.137 12.442 ( -0.568 4.789 17.014) 17.684 12.793 ( 0.721 -15.527 -1.388) 15.605 13.241 ( -1.557 3.679 -6.120) 7.308 13.498 ( -0.213 -10.793 13.487) 17.275 14.082 ( -2.222 15.165 12.886) 20.024 14.150 ( -0.651 2.756 10.467) 10.844 15.301 ( -3.879 -3.786 -18.378) 19.161 15.410 ( 1.045 0.077 -13.590) 13.630 15.670 ( 2.042 6.389 -10.052) 12.085 20.275 ( 0.546 -0.635 11.350) 11.381 20.946 ( -2.923 0.852 -0.485) 3.083 21.115 ( -0.654 -0.029 -3.606) 3.665 21.803 ( 6.145 5.826 -15.181) 17.383 24.367 ( -0.463 1.623 12.294) 12.409 24.926 ( -0.156 0.780 -5.827) 5.881 ======================= Grid point 326 (99/155) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.000 -0.000 6.841) 6.841 1.526 ( -0.000 0.000 6.559) 6.559 1.897 ( 0.000 -0.000 3.462) 3.462 1.933 ( -0.000 -0.000 0.504) 0.504 2.178 ( 0.000 -0.000 -4.956) 4.956 2.248 ( 0.000 -0.000 -7.981) 7.981 2.394 ( -0.000 -0.000 -5.395) 5.395 2.466 ( -0.000 -0.000 -5.598) 5.598 2.948 ( 0.000 0.000 1.331) 1.331 3.050 ( -0.000 -0.000 -2.334) 2.334 3.304 ( 0.000 -0.000 -4.416) 4.416 3.339 ( 0.000 -0.000 -3.674) 3.674 3.861 ( 0.000 -0.000 4.982) 4.982 4.120 ( -0.000 0.000 3.081) 3.081 4.285 ( -0.000 -0.000 2.849) 2.849 4.336 ( 0.000 -0.000 4.114) 4.114 4.510 ( -0.000 0.000 5.743) 5.743 4.629 ( -0.000 -0.000 6.238) 6.238 5.049 ( -0.000 -0.000 4.432) 4.432 5.624 ( 0.000 -0.000 1.025) 1.025 6.774 ( -0.000 -0.000 2.413) 2.413 6.854 ( 0.000 0.000 0.823) 0.823 7.139 ( 0.000 -0.000 -3.601) 3.601 7.789 ( -0.000 -0.000 -21.817) 21.817 7.860 ( 0.000 -0.000 6.160) 6.160 8.379 ( 0.000 0.000 -5.669) 5.669 8.487 ( -0.000 -0.000 -14.926) 14.926 8.741 ( 0.000 -0.000 -11.118) 11.118 10.045 ( 0.000 -0.000 21.414) 21.414 10.090 ( 0.000 0.000 21.710) 21.710 10.507 ( 0.000 -0.000 7.636) 7.636 10.626 ( -0.000 0.000 5.647) 5.647 12.239 ( 0.000 -0.000 19.964) 19.964 12.375 ( 0.000 -0.000 20.723) 20.723 13.036 ( 0.000 -0.000 -5.504) 5.504 13.112 ( -0.000 0.000 -4.114) 4.114 13.703 ( 0.000 -0.000 10.440) 10.440 13.816 ( -0.000 0.000 16.291) 16.291 14.133 ( -0.000 -0.000 11.102) 11.102 15.308 ( -0.000 -0.000 -23.057) 23.057 15.442 ( 0.000 -0.000 -12.945) 12.945 15.602 ( -0.000 0.000 -7.638) 7.638 20.284 ( 0.000 -0.000 11.575) 11.575 20.929 ( 0.000 -0.000 0.599) 0.599 21.115 ( 0.000 -0.000 -4.540) 4.540 21.767 ( 0.000 -0.000 -13.982) 13.982 24.350 ( 0.000 -0.000 12.076) 12.076 24.917 ( -0.000 -0.000 -6.158) 6.158 ======================= Grid point 333 (100/155) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 9.788 0.000 2.543) 10.113 1.272 ( 2.714 0.000 15.354) 15.592 1.665 ( 1.705 0.000 -10.985) 11.116 1.724 ( -1.490 -0.000 6.437) 6.607 2.326 ( 0.072 0.000 0.005) 0.073 2.419 ( -1.115 -0.000 -4.942) 5.066 2.602 ( 3.430 0.000 2.787) 4.420 2.737 ( 0.099 0.000 3.222) 3.224 3.057 ( 0.047 0.000 0.016) 0.050 3.063 ( -0.052 -0.000 3.095) 3.096 3.458 ( 1.410 0.000 8.228) 8.348 3.544 ( -11.541 -0.000 2.163) 11.742 3.849 ( 5.140 0.000 7.515) 9.105 4.009 ( -2.278 -0.000 3.511) 4.186 4.281 ( 0.162 0.000 -0.359) 0.394 4.316 ( -5.165 -0.000 -2.025) 5.548 4.390 ( 5.185 0.000 -7.427) 9.057 4.529 ( -0.113 -0.000 -2.391) 2.394 4.902 ( 1.564 0.000 1.930) 2.485 5.853 ( -2.621 -0.000 -11.436) 11.732 6.545 ( -0.219 -0.000 2.148) 2.159 6.840 ( 1.506 0.000 -3.598) 3.900 6.940 ( 1.745 0.000 -10.362) 10.508 7.392 ( 2.356 0.000 -18.361) 18.512 7.780 ( 3.013 0.000 10.412) 10.839 8.371 ( -4.771 -0.000 -9.373) 10.517 8.614 ( -1.361 -0.000 9.199) 9.299 8.965 ( 2.410 0.000 2.846) 3.729 9.175 ( 0.185 0.000 2.626) 2.633 9.532 ( -6.002 -0.000 -5.222) 7.955 9.876 ( -1.086 -0.000 27.750) 27.772 10.560 ( 0.608 0.000 14.305) 14.318 11.627 ( -0.486 -0.000 10.861) 10.872 12.368 ( 0.757 0.000 -10.490) 10.517 12.635 ( 0.964 0.000 8.163) 8.219 12.958 ( -0.020 -0.000 -10.545) 10.545 13.213 ( -2.167 -0.000 20.343) 20.458 14.429 ( -21.452 -0.000 22.412) 31.024 14.588 ( 0.897 0.000 -19.950) 19.970 14.982 ( 19.034 0.000 9.169) 21.127 15.562 ( -8.165 -0.000 -13.644) 15.900 15.862 ( 5.810 0.000 -10.807) 12.270 20.386 ( -1.746 -0.000 9.399) 9.560 21.092 ( -18.997 -0.000 -9.787) 21.370 21.191 ( 1.238 0.000 8.397) 8.488 22.076 ( 27.144 0.000 -22.204) 35.069 24.566 ( -1.785 -0.000 9.705) 9.868 24.872 ( 0.362 0.000 -0.471) 0.594 ======================= Grid point 334 (101/155) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 10.607 -3.860 3.265) 11.750 1.367 ( 2.938 -5.452 13.184) 14.566 1.673 ( -0.385 0.048 -2.067) 2.103 1.726 ( -0.181 -3.350 0.866) 3.465 2.270 ( 1.395 4.547 -1.097) 4.881 2.432 ( -2.364 -0.820 -0.962) 2.681 2.607 ( 5.923 2.005 -1.668) 6.472 2.727 ( -2.133 1.873 2.187) 3.584 3.007 ( 3.939 1.614 3.706) 5.644 3.113 ( -1.255 -2.170 -0.797) 2.631 3.379 ( 2.410 6.089 5.358) 8.462 3.516 ( -11.445 -1.791 4.581) 12.457 3.884 ( -0.862 -0.915 5.882) 6.015 3.999 ( -1.881 -0.014 5.432) 5.748 4.177 ( -1.311 5.014 0.600) 5.217 4.350 ( 2.825 -1.424 -4.319) 5.354 4.418 ( 3.966 -0.366 -7.749) 8.713 4.583 ( 0.487 -4.485 -2.037) 4.950 4.951 ( 1.309 -3.639 4.039) 5.591 5.843 ( -2.506 -0.074 -9.325) 9.656 6.602 ( -3.597 -5.724 -0.812) 6.809 6.852 ( 3.368 -0.492 -4.238) 5.436 6.955 ( -2.852 -0.880 -4.581) 5.468 7.342 ( 7.798 1.786 -8.545) 11.705 8.049 ( 4.442 -17.874 -1.010) 18.446 8.326 ( -6.632 1.678 -6.879) 9.702 8.512 ( -1.909 6.004 7.129) 9.514 9.006 ( 1.893 -0.812 -2.830) 3.501 9.219 ( 1.016 -4.549 3.763) 5.990 9.510 ( -8.147 -3.957 -4.236) 9.999 9.882 ( -0.426 -1.900 29.841) 29.905 10.588 ( 0.181 -2.291 13.579) 13.772 11.674 ( -0.921 -5.366 11.246) 12.494 12.358 ( 1.214 0.876 -5.248) 5.458 12.634 ( 2.124 1.176 7.967) 8.329 13.006 ( -0.630 -5.164 -8.058) 9.591 13.226 ( -3.432 -2.944 18.013) 18.572 14.274 ( -15.780 2.245 19.705) 25.345 14.607 ( 0.540 -0.211 -12.715) 12.728 15.088 ( 12.881 0.323 3.147) 13.263 15.506 ( -9.011 -0.157 -14.516) 17.086 15.892 ( 6.280 1.272 -11.289) 12.981 20.340 ( -1.782 3.066 9.774) 10.397 20.991 ( -16.167 -1.465 -7.722) 17.976 21.185 ( 1.261 1.595 8.553) 8.791 22.195 ( 26.172 6.375 -26.350) 37.682 24.521 ( -2.016 2.910 11.128) 11.677 24.899 ( 0.098 -2.195 -1.522) 2.673 ======================= Grid point 335 (102/155) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 9.570 -4.041 5.056) 11.554 1.440 ( 2.867 -1.922 13.790) 14.215 1.708 ( -1.628 -4.318 -2.417) 5.210 1.828 ( -2.186 -7.548 0.085) 7.859 2.206 ( 2.732 4.359 -0.524) 5.170 2.404 ( -2.220 1.840 0.306) 2.900 2.593 ( 2.461 3.681 -6.334) 7.728 2.657 ( -1.097 3.373 -0.547) 3.589 3.038 ( 5.517 0.163 1.444) 5.705 3.125 ( -2.005 0.341 -2.810) 3.469 3.295 ( 3.463 4.279 3.123) 6.329 3.474 ( -9.109 -1.764 6.252) 11.188 3.853 ( -2.830 2.382 2.244) 4.326 3.963 ( 2.489 2.890 6.069) 7.168 4.163 ( -0.777 -3.203 7.077) 7.807 4.415 ( 6.140 -2.515 -5.213) 8.438 4.453 ( 2.887 -1.176 -4.172) 5.208 4.662 ( 3.479 -2.454 -4.077) 5.895 5.008 ( 0.122 -1.247 7.069) 7.179 5.811 ( -1.685 2.081 -4.114) 4.908 6.660 ( -5.844 -2.727 -2.725) 7.001 6.785 ( -6.456 1.231 -0.939) 6.639 7.073 ( 1.872 -7.277 -8.232) 11.146 7.458 ( 10.077 -7.165 -2.811) 12.680 8.152 ( -4.717 5.760 -1.836) 7.668 8.237 ( -3.441 3.075 3.012) 5.510 8.572 ( 4.236 -7.891 -8.683) 12.475 8.977 ( 0.329 4.551 -9.579) 10.610 9.363 ( 0.776 -11.808 7.130) 13.815 9.639 ( -6.683 -16.540 -3.154) 18.115 9.952 ( 0.924 -5.439 30.678) 31.170 10.628 ( -1.380 -2.252 12.297) 12.577 11.796 ( -0.995 -8.678 13.106) 15.750 12.388 ( 1.713 -3.835 1.176) 4.362 12.615 ( 2.591 2.769 8.105) 8.948 13.117 ( -1.366 -7.344 -3.996) 8.472 13.263 ( -4.348 -3.825 14.919) 16.004 14.166 ( -9.929 0.642 16.945) 19.651 14.567 ( 2.159 6.465 -2.859) 7.391 15.141 ( 3.657 -1.133 -4.532) 5.933 15.456 ( -6.940 0.158 -15.582) 17.058 15.885 ( 5.698 4.023 -11.980) 13.863 20.284 ( -0.690 1.776 10.364) 10.537 20.937 ( -10.563 -1.861 -7.687) 13.196 21.154 ( 0.568 2.333 7.717) 8.082 22.173 ( 19.628 11.966 -25.855) 34.597 24.455 ( -1.675 2.935 12.592) 13.037 24.931 ( -0.245 -1.158 -3.315) 3.520 ======================= Grid point 336 (103/155) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 8.252 -5.173 8.164) 12.708 1.507 ( 1.896 -3.402 10.166) 10.887 1.792 ( -1.304 -5.706 -1.896) 6.152 1.923 ( -3.366 -4.139 -1.607) 5.571 2.141 ( 1.784 4.000 1.055) 4.505 2.359 ( -1.929 1.407 -1.377) 2.756 2.512 ( -1.103 4.842 -7.116) 8.678 2.586 ( 0.894 5.259 -4.917) 7.255 2.992 ( -1.985 4.609 2.408) 5.566 3.112 ( -0.663 -0.120 -3.699) 3.760 3.273 ( 2.746 1.512 -2.376) 3.933 3.465 ( -1.883 0.587 3.383) 3.916 3.820 ( 2.481 -0.523 3.489) 4.313 3.966 ( 3.411 -1.242 5.664) 6.728 4.220 ( -0.489 -2.600 7.843) 8.277 4.465 ( 4.465 0.998 -1.348) 4.770 4.521 ( 0.820 -3.512 1.376) 3.860 4.703 ( 7.356 1.960 -7.032) 10.363 4.999 ( -0.532 0.815 10.060) 10.107 5.751 ( -1.092 3.627 0.211) 3.794 6.607 ( -10.102 -0.461 1.664) 10.248 6.837 ( -2.702 -7.227 -4.995) 9.191 7.132 ( 0.272 0.726 -6.519) 6.565 7.658 ( 6.455 -6.915 -2.875) 9.887 8.019 ( -3.048 5.528 -6.347) 8.951 8.188 ( -4.143 -2.056 1.092) 4.752 8.628 ( 2.744 3.422 -11.619) 12.420 8.891 ( 1.176 5.008 -10.490) 11.684 9.629 ( 0.289 -15.903 12.173) 20.029 9.981 ( -1.040 -19.848 3.386) 20.162 10.072 ( 0.531 -8.510 23.767) 25.250 10.643 ( -3.148 -0.926 10.700) 11.191 11.972 ( 0.859 -10.771 17.212) 20.323 12.496 ( 0.928 -2.705 5.428) 6.135 12.590 ( 1.290 -2.951 7.480) 8.144 13.227 ( -0.942 -4.251 -5.912) 7.343 13.323 ( -3.737 -7.069 16.336) 18.188 14.117 ( -5.606 -0.274 15.077) 16.088 14.390 ( 1.987 14.398 6.015) 15.730 15.195 ( -1.991 -4.147 -13.118) 13.901 15.416 ( -3.454 0.298 -14.740) 15.143 15.817 ( 4.424 6.976 -12.279) 14.799 20.270 ( 0.299 -0.165 10.823) 10.828 20.920 ( -4.927 -1.597 -6.201) 8.079 21.117 ( -0.705 1.505 5.059) 5.325 22.039 ( 11.877 13.286 -21.881) 28.220 24.397 ( -1.253 2.317 12.810) 13.078 24.936 ( -0.247 0.320 -4.875) 4.891 ======================= Grid point 337 (104/155) ======================= q-point: ( 0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 4.679 -6.343 8.199) 11.373 1.555 ( 0.821 -0.445 6.336) 6.404 1.864 ( -2.743 -2.944 3.991) 5.667 1.941 ( 0.166 0.033 -3.061) 3.066 2.128 ( 2.098 -2.478 -1.813) 3.719 2.304 ( -3.562 4.123 -5.866) 8.006 2.426 ( -0.497 3.173 -5.196) 6.109 2.494 ( -0.453 4.140 -6.244) 7.505 2.927 ( -1.670 0.681 3.690) 4.107 3.100 ( 0.085 1.326 -5.202) 5.369 3.272 ( 1.329 -0.179 -2.411) 2.759 3.402 ( -1.085 4.406 -3.499) 5.730 3.876 ( 5.188 -0.627 5.823) 7.825 4.048 ( 1.765 -5.311 4.817) 7.384 4.243 ( -1.690 -1.135 6.334) 6.653 4.443 ( 1.612 3.830 2.436) 4.817 4.533 ( 0.895 2.119 3.157) 3.907 4.686 ( 6.037 4.127 0.101) 7.314 5.016 ( -0.457 -2.519 6.770) 7.237 5.669 ( -0.728 4.313 1.330) 4.572 6.605 ( -9.836 -6.530 3.736) 12.384 6.931 ( 1.796 -2.022 -5.819) 6.417 7.116 ( 0.721 -0.256 -2.816) 2.918 7.769 ( 1.726 -3.059 -7.970) 8.709 7.906 ( -1.216 5.116 -6.738) 8.547 8.258 ( -3.666 -6.987 -2.557) 8.294 8.562 ( 2.179 4.259 -14.126) 14.914 8.804 ( 0.920 5.352 -10.495) 11.816 9.897 ( 0.123 -12.856 18.297) 22.363 10.107 ( -0.247 -1.008 23.788) 23.811 10.377 ( 3.070 -15.438 4.584) 16.395 10.621 ( -4.082 0.714 8.234) 9.218 12.165 ( 2.610 -8.348 20.609) 22.388 12.433 ( -0.857 5.495 15.973) 16.914 12.801 ( 0.531 -15.657 -1.501) 15.738 13.221 ( -1.522 3.947 -6.383) 7.657 13.497 ( 0.051 -13.085 15.239) 20.086 14.045 ( -3.403 11.526 12.040) 17.011 14.150 ( 0.693 6.035 12.271) 13.693 15.249 ( -4.145 -3.727 -20.679) 21.417 15.418 ( 0.273 -1.916 -11.954) 12.110 15.703 ( 2.806 7.849 -11.255) 14.006 20.281 ( 0.334 -0.478 11.355) 11.370 20.926 ( -0.143 -0.817 -2.731) 2.854 21.097 ( -2.140 -0.350 0.311) 2.190 21.878 ( 5.209 9.971 -17.169) 20.526 24.359 ( -0.726 1.192 12.415) 12.493 24.924 ( -0.097 0.687 -5.853) 5.894 ======================= Grid point 338 (105/155) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -5.800 5.439 9.247) 12.196 1.600 ( 4.992 -0.985 4.414) 6.736 1.893 ( -0.389 -2.218 2.738) 3.545 1.945 ( 1.587 -0.564 1.003) 1.960 2.156 ( -2.582 5.013 -5.154) 7.640 2.269 ( 2.354 -6.342 -7.332) 9.975 2.396 ( 0.287 0.277 -5.641) 5.655 2.457 ( -1.528 -0.794 -5.529) 5.791 2.942 ( -0.223 -2.111 1.839) 2.809 3.074 ( 2.492 1.861 -3.111) 4.400 3.288 ( -2.481 -0.131 -3.787) 4.529 3.331 ( -0.377 0.730 -3.664) 3.755 3.871 ( 1.159 2.980 4.358) 5.405 4.122 ( -0.107 -0.507 1.957) 2.024 4.257 ( -1.673 -1.211 6.707) 7.018 4.361 ( 1.599 4.759 4.908) 7.020 4.502 ( -1.135 0.515 4.913) 5.069 4.658 ( 4.252 2.261 1.973) 5.204 5.028 ( -3.162 0.665 5.985) 6.801 5.623 ( -0.180 -0.364 1.197) 1.264 6.704 ( -6.220 -9.417 4.685) 12.220 6.939 ( 8.574 3.301 -1.467) 9.304 7.132 ( -1.267 0.230 -3.621) 3.843 7.765 ( -2.630 3.069 -16.943) 17.419 7.885 ( 2.861 -2.888 0.806) 4.144 8.342 ( -4.276 -3.808 -5.386) 7.861 8.520 ( 3.855 2.163 -14.478) 15.138 8.734 ( -1.137 1.529 -11.091) 11.253 10.047 ( 0.326 2.274 21.179) 21.304 10.086 ( -0.488 -2.470 22.393) 22.534 10.492 ( -1.770 5.013 6.597) 8.473 10.642 ( 1.977 -5.342 6.091) 8.340 12.248 ( 1.261 3.409 19.827) 20.157 12.368 ( -1.021 -2.222 20.957) 21.099 13.040 ( 0.516 5.653 -5.443) 7.864 13.110 ( -0.373 -6.711 -4.225) 7.939 13.707 ( 0.664 6.925 10.701) 12.764 13.813 ( -0.563 -7.878 15.974) 17.820 14.133 ( -0.006 -0.732 11.378) 11.402 15.289 ( -2.334 -3.717 -22.638) 23.060 15.454 ( 1.446 0.919 -13.384) 13.493 15.606 ( 0.665 2.057 -7.833) 8.126 20.283 ( -0.209 0.389 11.595) 11.604 20.948 ( 2.858 -0.767 0.723) 3.046 21.099 ( -2.410 -1.331 -4.759) 5.498 21.767 ( -0.069 3.939 -13.989) 14.533 24.349 ( -0.186 -0.418 12.147) 12.155 24.917 ( 0.044 -0.087 -6.153) 6.154 ======================= Grid point 339 (106/155) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -5.094 7.650 11.166) 14.462 1.574 ( 0.820 5.233 6.884) 8.686 1.891 ( -0.257 3.419 -5.288) 6.302 1.999 ( 3.313 -2.785 1.392) 4.547 2.090 ( -1.118 -0.066 -1.258) 1.684 2.369 ( 1.498 -2.687 -6.333) 7.040 2.421 ( -0.741 -1.925 -7.646) 7.919 2.525 ( 1.710 -7.199 -3.969) 8.396 2.942 ( -3.216 1.401 0.140) 3.511 3.096 ( 4.337 -1.453 -1.513) 4.817 3.236 ( -2.954 1.826 -2.554) 4.310 3.403 ( -0.254 -7.481 -1.261) 7.590 3.803 ( -1.970 3.785 2.041) 4.730 4.080 ( 5.019 4.411 3.815) 7.694 4.236 ( -3.210 1.264 4.985) 6.062 4.304 ( -4.662 2.124 6.586) 8.344 4.510 ( -0.982 -1.043 4.371) 4.600 4.650 ( 1.205 0.900 -3.852) 4.135 4.987 ( -1.701 0.320 8.239) 8.419 5.676 ( -0.058 -4.767 0.818) 4.837 6.804 ( 2.564 -0.773 5.600) 6.208 6.967 ( 5.363 -1.967 -0.554) 5.739 7.074 ( -2.149 3.291 -3.626) 5.347 7.670 ( -3.964 5.807 -8.329) 10.900 7.993 ( 4.214 -6.069 -7.206) 10.321 8.319 ( -1.051 3.173 -4.405) 5.529 8.545 ( 2.135 -1.762 -12.149) 12.460 8.749 ( -2.837 -4.544 -11.682) 12.852 9.888 ( -0.358 12.553 15.979) 20.323 10.115 ( 0.287 1.717 26.553) 26.610 10.308 ( -1.799 13.195 1.314) 13.382 10.710 ( 2.242 -0.442 8.766) 9.059 12.120 ( -0.783 8.753 20.441) 22.250 12.448 ( 0.299 -4.850 17.982) 18.627 12.785 ( -0.557 15.827 -1.396) 15.898 13.258 ( 0.995 -3.513 -6.077) 7.089 13.502 ( 0.222 9.121 12.452) 15.436 14.102 ( 1.069 -16.434 13.511) 21.302 14.161 ( 0.798 -2.259 8.959) 9.273 15.343 ( 2.637 2.167 -17.206) 17.541 15.392 ( -1.582 -0.110 -14.390) 14.477 15.653 ( -0.675 -5.108 -9.206) 10.549 20.269 ( -0.430 0.708 11.389) 11.419 20.993 ( 3.900 -1.845 3.226) 5.387 21.114 ( -0.756 -1.601 -9.485) 9.649 21.732 ( -4.568 -1.332 -12.920) 13.768 24.370 ( 0.158 -1.938 12.328) 12.480 24.928 ( 0.125 -0.861 -5.798) 5.863 ======================= Grid point 340 (107/155) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -2.451 5.769 8.525) 10.581 1.464 ( -0.760 5.783 12.503) 13.796 1.808 ( 0.170 4.817 -8.105) 9.430 2.014 ( 1.797 4.017 -0.139) 4.403 2.115 ( -0.318 -2.321 -0.734) 2.455 2.418 ( 2.461 -1.594 -4.964) 5.765 2.452 ( -2.739 -2.984 -5.205) 6.595 2.675 ( 4.490 -6.036 -2.599) 7.960 2.882 ( -6.564 0.918 0.494) 6.647 3.150 ( 3.158 -1.758 0.633) 3.669 3.193 ( -3.285 0.526 -0.796) 3.421 3.579 ( 3.826 -9.784 1.915) 10.679 3.749 ( -2.371 -0.033 3.648) 4.351 4.061 ( 8.462 2.901 6.342) 10.966 4.183 ( -4.868 2.606 2.864) 6.220 4.227 ( -6.931 0.405 2.878) 7.516 4.485 ( -0.642 2.761 2.521) 3.793 4.647 ( -0.023 0.035 -6.855) 6.855 5.009 ( 0.137 -2.077 6.977) 7.281 5.765 ( 0.110 -4.589 -1.336) 4.781 6.773 ( 2.067 4.389 5.332) 7.208 6.946 ( 2.675 4.748 -3.365) 6.404 7.119 ( 0.375 -5.079 -2.500) 5.673 7.479 ( -4.279 12.573 -7.581) 15.293 8.135 ( 3.277 -6.304 -6.388) 9.554 8.277 ( 1.135 0.280 0.608) 1.318 8.564 ( -1.268 0.759 -9.210) 9.327 8.851 ( -0.994 -7.435 -12.487) 14.567 9.619 ( -0.241 16.312 10.908) 19.625 10.012 ( 1.000 16.449 -1.827) 16.580 10.044 ( -1.080 7.171 26.932) 27.891 10.700 ( 0.862 2.322 10.977) 11.253 11.956 ( -0.216 8.655 17.115) 19.180 12.509 ( 1.629 6.908 5.957) 9.266 12.538 ( -2.202 1.609 10.275) 10.630 13.246 ( 0.307 4.547 -6.852) 8.229 13.390 ( 1.016 4.550 13.554) 14.334 14.226 ( 1.694 -4.338 6.412) 7.925 14.373 ( 0.112 -12.707 11.928) 17.429 15.223 ( 0.470 8.501 -7.926) 11.632 15.475 ( 0.572 -5.311 -17.296) 18.102 15.739 ( -1.001 -4.592 -10.719) 11.704 20.263 ( -0.119 -0.615 11.072) 11.090 21.059 ( 2.394 -3.015 6.612) 7.651 21.153 ( 2.392 -2.362 -16.120) 16.467 21.742 ( -6.735 -3.546 -12.424) 14.570 24.416 ( 0.215 -2.928 12.670) 13.006 24.942 ( 0.113 -0.416 -4.828) 4.847 ======================= Grid point 341 (108/155) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -0.000 6.478 4.366) 7.812 1.391 ( -0.000 1.975 16.239) 16.359 1.731 ( -0.000 3.851 -9.834) 10.561 1.879 ( -0.000 10.685 3.475) 11.236 2.165 ( 0.000 -3.909 -1.272) 4.111 2.453 ( 0.000 -1.004 -8.511) 8.570 2.495 ( 0.000 -3.059 2.692) 4.075 2.765 ( 0.000 -1.654 -0.901) 1.883 2.869 ( 0.000 -2.908 2.736) 3.993 3.151 ( -0.000 1.130 -4.836) 4.966 3.239 ( 0.000 -5.137 8.165) 9.646 3.747 ( 0.000 -4.460 6.034) 7.503 3.750 ( 0.000 -1.152 6.433) 6.536 4.086 ( -0.000 4.117 5.719) 7.046 4.097 ( 0.000 -4.039 -0.692) 4.097 4.233 ( 0.000 -2.534 0.269) 2.548 4.436 ( -0.000 2.090 -1.188) 2.404 4.632 ( -0.000 1.960 -7.238) 7.499 5.014 ( -0.000 2.293 4.708) 5.237 5.833 ( 0.000 -2.898 -4.809) 5.615 6.720 ( -0.000 1.153 1.942) 2.259 6.872 ( -0.000 7.008 -2.167) 7.335 7.151 ( -0.000 2.733 -8.536) 8.963 7.227 ( -0.000 9.133 -6.811) 11.394 8.212 ( -0.000 1.111 -3.209) 3.395 8.347 ( 0.000 -7.225 7.519) 10.428 8.487 ( -0.000 6.679 -10.567) 12.501 8.964 ( 0.000 -4.415 -9.866) 10.809 9.349 ( -0.000 12.036 6.821) 13.834 9.731 ( -0.000 12.508 -7.159) 14.412 9.934 ( -0.000 4.827 31.651) 32.017 10.648 ( -0.000 3.531 12.763) 13.242 11.808 ( -0.000 7.899 12.192) 14.527 12.366 ( -0.000 4.323 2.258) 4.877 12.580 ( 0.000 -2.305 9.424) 9.702 13.133 ( -0.000 7.250 -7.844) 10.681 13.322 ( -0.000 3.774 15.649) 16.098 14.334 ( 0.000 -6.724 2.821) 7.292 14.555 ( 0.000 -7.584 11.393) 13.686 15.060 ( -0.000 9.612 -3.268) 10.153 15.560 ( 0.000 -3.589 -15.308) 15.723 15.797 ( 0.000 -2.242 -11.116) 11.340 20.295 ( 0.000 -2.920 10.886) 11.270 21.121 ( 0.000 -2.965 8.244) 8.761 21.217 ( 0.000 -2.711 -20.294) 20.474 21.778 ( 0.000 -3.503 -11.906) 12.411 24.475 ( 0.000 -3.529 12.327) 12.822 24.936 ( -0.000 1.296 -3.325) 3.569 ======================= Grid point 344 (109/155) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 13.080 0.000 2.985) 13.417 1.321 ( 4.899 0.000 12.097) 13.051 1.690 ( 2.081 0.000 -8.480) 8.731 1.704 ( -1.422 -0.000 6.962) 7.106 2.332 ( 0.879 0.000 -1.797) 2.001 2.384 ( -4.099 -0.000 1.380) 4.325 2.683 ( 8.887 0.000 -1.933) 9.095 2.745 ( 1.260 0.000 4.953) 5.111 3.047 ( -1.448 -0.000 1.855) 2.354 3.053 ( -1.841 -0.000 6.460) 6.717 3.417 ( -7.815 -0.000 -3.368) 8.510 3.476 ( 0.302 0.000 7.156) 7.163 3.849 ( -4.023 -0.000 7.379) 8.405 3.965 ( -3.745 -0.000 4.828) 6.110 4.258 ( -3.463 -0.000 -11.127) 11.654 4.311 ( 1.714 0.000 -1.544) 2.307 4.466 ( 8.213 0.000 -8.525) 11.838 4.519 ( -1.448 -0.000 2.588) 2.966 4.927 ( 2.324 0.000 4.085) 4.700 5.810 ( -3.885 -0.000 -12.232) 12.834 6.543 ( 0.082 0.000 2.543) 2.544 6.843 ( -1.636 -0.000 -0.782) 1.813 6.969 ( 2.535 0.000 -6.824) 7.280 7.443 ( 5.950 0.000 -15.788) 16.872 7.849 ( 7.962 0.000 7.774) 11.128 8.299 ( -6.096 -0.000 -11.189) 12.742 8.569 ( -5.878 -0.000 10.839) 12.330 9.006 ( 3.833 0.000 2.378) 4.511 9.180 ( 0.649 0.000 2.132) 2.228 9.430 ( -9.493 -0.000 -4.001) 10.302 9.856 ( -2.039 -0.000 29.478) 29.548 10.571 ( 1.042 0.000 13.642) 13.682 11.618 ( -0.970 -0.000 11.700) 11.740 12.381 ( 1.213 0.000 -10.572) 10.642 12.656 ( 2.320 0.000 12.530) 12.743 12.958 ( -0.028 -0.000 -10.821) 10.821 13.171 ( -4.586 -0.000 19.160) 19.702 14.179 ( -17.293 -0.000 24.869) 30.290 14.610 ( 2.799 0.000 -19.586) 19.785 15.197 ( 14.582 0.000 2.254) 14.755 15.431 ( -12.135 -0.000 -14.452) 18.871 15.947 ( 7.020 0.000 -11.135) 13.163 20.358 ( -2.503 -0.000 8.642) 8.997 20.870 ( -14.855 -0.000 -3.089) 15.173 21.211 ( 1.690 0.000 9.691) 9.837 22.433 ( 26.939 0.000 -32.742) 42.400 24.533 ( -3.270 -0.000 10.570) 11.064 24.878 ( 0.571 0.000 -0.563) 0.802 ======================= Grid point 345 (110/155) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 12.425 -2.476 3.360) 13.107 1.410 ( 3.696 -4.312 10.646) 12.066 1.664 ( -1.023 1.378 6.165) 6.400 1.730 ( 0.717 -2.899 -5.113) 5.921 2.292 ( 1.925 2.993 -1.249) 3.771 2.397 ( -2.656 -1.484 1.498) 3.391 2.659 ( -0.205 5.434 1.765) 5.717 2.743 ( 6.366 2.803 -1.848) 7.197 3.042 ( 1.039 -1.294 3.604) 3.968 3.102 ( -0.013 -3.533 3.023) 4.649 3.379 ( -5.526 -0.438 -3.234) 6.418 3.408 ( -2.755 4.959 7.011) 9.019 3.833 ( -5.035 -0.826 5.159) 7.256 3.985 ( -0.321 -3.465 6.557) 7.423 4.156 ( -1.912 5.061 -3.458) 6.421 4.364 ( -1.529 -3.641 -7.188) 8.201 4.486 ( 4.631 0.536 -6.965) 8.382 4.611 ( 5.636 -5.612 -0.167) 7.955 4.973 ( 1.917 -2.782 5.796) 6.709 5.804 ( -3.454 -1.114 -10.213) 10.839 6.562 ( -2.517 -2.421 0.028) 3.492 6.799 ( -7.613 2.907 -0.257) 8.153 7.000 ( 5.463 -2.531 -5.528) 8.174 7.454 ( 10.274 -0.020 -5.478) 11.643 8.128 ( 7.115 -13.779 -1.916) 15.626 8.244 ( -5.607 0.916 -6.048) 8.298 8.464 ( -5.122 1.958 5.952) 8.093 9.032 ( 1.944 0.951 -3.388) 4.020 9.231 ( 0.541 -4.363 3.115) 5.388 9.389 ( -10.139 -4.627 -1.777) 11.286 9.873 ( -0.919 -3.375 31.074) 31.270 10.591 ( 0.327 -1.309 12.930) 13.000 11.658 ( -1.456 -5.143 12.375) 13.481 12.377 ( 1.581 0.544 -5.361) 5.615 12.671 ( 3.795 0.829 9.510) 10.273 12.995 ( -1.330 -4.366 -4.371) 6.319 13.169 ( -5.352 -3.056 15.137) 16.344 14.087 ( -12.817 -0.866 22.475) 25.887 14.636 ( 3.894 0.191 -15.698) 16.175 15.219 ( 5.844 4.832 -1.837) 7.802 15.384 ( -8.197 -2.209 -14.055) 16.420 15.976 ( 6.549 1.747 -11.572) 13.411 20.315 ( -1.896 2.332 9.158) 9.638 20.817 ( -10.834 -3.070 -3.408) 11.765 21.203 ( 1.376 1.984 10.093) 10.378 22.509 ( 22.143 9.140 -34.595) 42.079 24.488 ( -3.046 2.201 12.000) 12.575 24.901 ( 0.195 -1.791 -1.534) 2.366 ======================= Grid point 346 (111/155) ======================= q-point: ( 0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 10.757 -2.297 4.686) 11.956 1.470 ( 1.647 -1.708 11.925) 12.159 1.689 ( -1.086 -4.429 3.603) 5.812 1.809 ( -0.898 -5.500 -3.936) 6.823 2.247 ( 3.651 4.831 0.702) 6.096 2.378 ( -1.795 1.747 2.003) 3.207 2.557 ( -5.147 2.894 -3.786) 7.014 2.709 ( 5.680 5.640 -4.533) 9.199 3.063 ( -1.426 1.502 2.313) 3.105 3.097 ( -1.966 2.129 -0.227) 2.907 3.329 ( 0.885 3.035 -2.498) 4.029 3.402 ( -2.094 -5.188 6.165) 8.325 3.824 ( -0.263 -0.642 4.014) 4.074 4.023 ( 5.910 2.408 1.819) 6.636 4.134 ( -3.554 -5.072 8.587) 10.587 4.431 ( -1.927 -5.134 -6.617) 8.594 4.500 ( 2.462 0.566 -4.990) 5.593 4.744 ( 9.056 -3.314 -2.339) 9.923 5.014 ( 0.564 -0.059 8.284) 8.303 5.785 ( -2.187 1.224 -4.273) 4.954 6.560 ( -8.786 0.452 -1.207) 8.880 6.725 ( -3.236 -1.986 -0.855) 3.892 7.095 ( 1.086 -3.706 -10.758) 11.430 7.589 ( 10.589 -5.950 0.060) 12.146 8.089 ( -5.049 5.190 1.875) 7.479 8.200 ( -2.862 4.769 -0.196) 5.565 8.640 ( 6.895 -7.988 -10.062) 14.581 8.972 ( -1.196 4.567 -9.913) 10.980 9.367 ( -0.427 -12.655 6.964) 14.451 9.547 ( -7.062 -19.627 0.501) 20.865 9.961 ( 0.504 -5.996 30.554) 31.141 10.610 ( -1.376 -0.936 11.877) 11.993 11.780 ( -1.334 -9.501 14.226) 17.159 12.413 ( 2.078 -3.776 0.363) 4.325 12.653 ( 3.309 3.989 6.004) 7.932 13.092 ( -2.693 -7.749 6.491) 10.461 13.204 ( -4.305 -4.208 8.338) 10.284 14.050 ( -7.810 -2.165 19.111) 20.758 14.611 ( 4.617 7.027 -5.281) 9.930 15.159 ( -1.826 1.588 -9.961) 10.251 15.377 ( -4.215 -1.119 -12.714) 13.441 15.957 ( 5.283 4.794 -12.456) 14.354 20.276 ( -0.564 0.912 10.042) 10.100 20.829 ( -6.358 -4.029 -5.850) 9.533 21.162 ( 0.545 3.079 9.673) 10.166 22.396 ( 14.913 15.771 -31.235) 38.036 24.429 ( -2.174 2.308 13.187) 13.563 24.929 ( -0.145 -1.021 -3.304) 3.461 ======================= Grid point 347 (112/155) ======================= q-point: ( 0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 7.279 -3.331 8.305) 11.535 1.526 ( 1.013 -2.996 7.863) 8.475 1.773 ( -1.341 -5.025 4.131) 6.642 1.894 ( -1.233 -4.535 -5.882) 7.529 2.168 ( 2.400 4.915 3.058) 6.266 2.334 ( -2.044 1.844 -0.875) 2.889 2.480 ( -2.834 3.164 -6.787) 8.007 2.609 ( 1.438 7.601 -6.272) 9.959 2.965 ( -1.781 4.150 4.953) 6.703 3.087 ( -2.101 -0.294 -2.928) 3.616 3.294 ( -0.025 1.111 -4.494) 4.630 3.451 ( -0.750 0.463 0.963) 1.306 3.880 ( 7.237 -3.237 5.647) 9.734 4.031 ( 5.603 0.577 4.566) 7.251 4.197 ( -3.038 -2.818 8.124) 9.120 4.485 ( -0.606 0.250 -2.296) 2.387 4.518 ( -0.777 -3.010 -0.574) 3.162 4.818 ( 9.191 2.455 -6.594) 11.575 4.993 ( -0.515 0.880 12.526) 12.567 5.735 ( -1.294 3.210 0.438) 3.488 6.483 ( -8.657 -0.336 1.942) 8.879 6.818 ( -0.496 -7.865 -5.867) 9.825 7.124 ( -1.397 -0.249 -9.627) 9.731 7.721 ( 3.402 -3.025 -2.349) 5.123 8.002 ( 0.317 4.931 -7.043) 8.603 8.143 ( -3.050 -2.908 4.569) 6.216 8.660 ( 2.263 5.182 -13.828) 14.939 8.899 ( 0.223 4.055 -9.893) 10.694 9.630 ( -0.237 -15.597 13.076) 20.355 9.972 ( -0.302 -25.050 3.358) 25.276 10.073 ( -0.304 -7.103 25.121) 26.108 10.604 ( -2.707 0.089 10.489) 10.833 11.982 ( 0.652 -12.609 17.688) 21.732 12.517 ( 2.303 -1.257 4.572) 5.272 12.597 ( -0.283 -1.962 5.862) 6.188 13.217 ( -0.518 -4.276 -4.332) 6.108 13.276 ( -3.426 -9.096 17.906) 20.374 14.052 ( -4.295 -1.801 16.398) 17.047 14.422 ( 2.814 15.859 5.998) 17.187 15.161 ( -3.171 -2.999 -18.957) 19.453 15.379 ( -2.041 -1.676 -11.398) 11.700 15.870 ( 3.567 7.846 -12.989) 15.588 20.273 ( 0.180 -0.495 10.764) 10.776 20.875 ( -2.134 -4.021 -7.228) 8.542 21.107 ( -0.778 2.665 8.192) 8.649 22.167 ( 7.997 16.780 -24.855) 31.037 24.380 ( -1.316 1.834 13.194) 13.386 24.934 ( -0.136 0.281 -4.891) 4.901 ======================= Grid point 348 (113/155) ======================= q-point: ( 0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.082 -0.373 8.919) 8.927 1.586 ( 3.063 -3.142 4.369) 6.191 1.835 ( -1.664 -3.380 6.146) 7.209 1.948 ( 0.629 -0.846 -3.981) 4.118 2.157 ( 2.307 -3.203 -1.395) 4.187 2.259 ( -3.260 4.905 -5.025) 7.742 2.420 ( -0.396 1.899 -5.242) 5.589 2.486 ( -0.759 5.417 -6.258) 8.311 2.924 ( 0.854 0.110 4.241) 4.328 3.078 ( -2.543 -0.653 -3.845) 4.656 3.284 ( -0.230 0.510 -4.201) 4.238 3.395 ( 0.435 4.403 -3.974) 5.947 3.955 ( 6.125 3.226 6.356) 9.398 4.070 ( 1.998 -3.240 5.594) 6.766 4.212 ( -3.345 -2.732 7.809) 8.924 4.449 ( 0.420 3.538 2.275) 4.227 4.531 ( -1.171 1.316 2.204) 2.821 4.782 ( 7.791 6.130 -3.907) 10.655 4.995 ( -2.719 -1.194 9.469) 9.924 5.659 ( -0.788 3.878 1.591) 4.265 6.501 ( -5.976 -7.072 4.509) 10.298 6.960 ( 2.427 -6.311 -7.471) 10.077 7.115 ( -0.680 0.156 -4.814) 4.865 7.775 ( -0.304 -1.941 -9.092) 9.302 7.903 ( 0.318 4.634 -6.548) 8.028 8.223 ( -1.808 -5.728 1.052) 6.098 8.586 ( 1.489 3.396 -15.749) 16.180 8.809 ( -0.054 5.787 -10.110) 11.649 9.897 ( -0.119 -13.289 19.660) 23.731 10.105 ( -0.057 -0.267 23.536) 23.538 10.414 ( 2.590 -17.394 4.476) 18.146 10.572 ( -3.259 1.185 8.054) 8.769 12.197 ( 2.218 -9.144 21.134) 23.134 12.421 ( -0.877 7.142 15.030) 16.664 12.806 ( 0.250 -16.225 -1.622) 16.308 13.205 ( -0.939 4.261 -6.762) 8.048 13.499 ( 0.221 -15.245 17.144) 22.943 14.004 ( -2.609 9.470 11.107) 14.828 14.163 ( 1.010 8.487 13.831) 16.259 15.203 ( -2.778 -3.607 -22.960) 23.407 15.419 ( 0.002 -3.362 -10.712) 11.227 15.734 ( 1.934 8.704 -12.115) 15.043 20.284 ( 0.097 -0.300 11.395) 11.399 20.939 ( 1.888 -2.954 -6.182) 7.107 21.064 ( -2.809 0.678 4.644) 5.470 21.930 ( 2.916 12.708 -18.471) 22.609 24.350 ( -0.585 0.805 12.650) 12.689 24.923 ( -0.030 0.618 -5.866) 5.899 ======================= Grid point 349 (114/155) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -2.320 6.813 10.963) 13.115 1.644 ( 1.815 0.545 3.155) 3.681 1.889 ( -0.173 -2.858 2.091) 3.545 1.965 ( 1.044 -1.994 1.284) 2.592 2.128 ( -1.353 5.430 -5.097) 7.569 2.294 ( 1.214 -7.115 -6.567) 9.758 2.403 ( 0.854 -0.036 -5.963) 6.024 2.433 ( -1.799 -1.007 -5.588) 5.956 2.947 ( 0.569 -0.612 2.561) 2.694 3.096 ( 0.885 -2.379 -4.072) 4.798 3.251 ( -2.377 2.308 -3.578) 4.876 3.338 ( 0.883 1.274 -3.156) 3.516 3.879 ( 0.044 5.236 3.190) 6.131 4.118 ( -0.198 -0.685 0.792) 1.065 4.257 ( 0.789 -0.767 12.429) 12.478 4.366 ( -0.350 5.169 5.410) 7.491 4.489 ( -0.659 0.989 3.965) 4.139 4.716 ( 3.503 5.106 -6.699) 9.123 4.983 ( -2.854 0.193 10.800) 11.173 5.621 ( -0.092 -0.624 1.465) 1.595 6.648 ( -2.362 -11.387 6.414) 13.280 7.038 ( 6.554 1.595 -2.937) 7.357 7.103 ( -3.492 0.215 -4.001) 5.315 7.739 ( -1.204 4.263 -15.071) 15.708 7.915 ( 1.456 -4.419 -1.988) 5.059 8.297 ( -2.198 -3.440 -3.868) 5.624 8.562 ( 2.078 0.852 -14.800) 14.969 8.718 ( -0.980 2.969 -10.864) 11.305 10.052 ( 0.318 5.152 20.312) 20.958 10.080 ( -0.418 -5.479 23.966) 24.588 10.474 ( -0.834 6.500 5.366) 8.470 10.663 ( 0.963 -7.026 6.374) 9.535 12.265 ( 1.041 7.227 19.406) 20.734 12.353 ( -0.894 -5.305 21.532) 22.194 13.046 ( 0.378 11.256 -5.306) 12.449 13.105 ( -0.288 -12.962 -4.440) 13.705 13.716 ( 0.511 13.917 11.212) 17.879 13.805 ( -0.465 -15.667 15.352) 21.940 14.133 ( 0.017 -0.964 11.855) 11.894 15.264 ( -1.198 -4.954 -22.508) 23.078 15.469 ( 0.632 0.354 -13.527) 13.547 15.614 ( 0.422 3.389 -8.178) 8.863 20.280 ( -0.125 0.622 11.628) 11.646 20.995 ( 4.035 -0.775 2.889) 5.023 21.057 ( -3.762 -2.642 -7.078) 8.440 21.766 ( -0.043 6.403 -14.000) 15.395 24.346 ( -0.115 -0.678 12.262) 12.281 24.918 ( 0.027 -0.141 -6.147) 6.148 ======================= Grid point 350 (115/155) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -0.000 7.589 11.914) 14.125 1.579 ( -0.000 6.184 6.884) 9.254 1.889 ( -0.000 3.287 -5.825) 6.688 2.024 ( 0.000 -2.613 0.578) 2.677 2.080 ( 0.000 -0.864 -0.812) 1.186 2.379 ( 0.000 -3.222 -6.179) 6.968 2.415 ( 0.000 -0.606 -7.652) 7.676 2.537 ( 0.000 -9.321 -4.536) 10.366 2.916 ( -0.000 3.595 1.012) 3.735 3.144 ( 0.000 -0.963 -1.852) 2.087 3.200 ( -0.000 1.468 -2.446) 2.853 3.402 ( 0.000 -8.377 -1.060) 8.444 3.789 ( -0.000 4.386 1.967) 4.807 4.130 ( 0.000 -1.307 -3.541) 3.775 4.198 ( -0.000 5.982 12.669) 14.010 4.275 ( -0.000 4.536 7.301) 8.596 4.503 ( 0.000 -0.880 4.316) 4.404 4.660 ( -0.000 1.865 -6.819) 7.070 4.975 ( 0.000 -0.846 9.708) 9.745 5.675 ( 0.000 -4.780 0.737) 4.836 6.817 ( 0.000 -4.551 7.110) 8.442 7.021 ( 0.000 -1.024 2.092) 2.329 7.047 ( -0.000 4.686 -6.469) 7.988 7.642 ( -0.000 6.681 -9.037) 11.239 8.025 ( 0.000 -6.684 -7.423) 9.989 8.305 ( -0.000 1.478 -3.995) 4.260 8.566 ( 0.000 -0.021 -11.322) 11.322 8.726 ( 0.000 -4.665 -12.400) 13.249 9.886 ( -0.000 12.584 15.689) 20.112 10.117 ( -0.000 1.680 27.523) 27.574 10.296 ( -0.000 12.966 0.169) 12.967 10.725 ( 0.000 -0.320 8.778) 8.783 12.115 ( -0.000 8.950 20.480) 22.350 12.449 ( 0.000 -4.997 18.408) 19.074 12.781 ( -0.000 16.034 -1.438) 16.098 13.265 ( 0.000 -3.452 -6.102) 7.011 13.503 ( -0.000 8.510 12.137) 14.823 14.109 ( 0.000 -16.410 13.857) 21.478 14.166 ( 0.000 -2.663 8.254) 8.673 15.366 ( 0.000 -6.400 -20.007) 21.006 15.376 ( -0.000 7.887 -11.405) 13.867 15.650 ( 0.000 -4.691 -8.982) 10.133 20.266 ( -0.000 0.723 11.414) 11.437 21.024 ( 0.000 -1.610 8.843) 8.989 21.105 ( 0.000 -3.298 -16.271) 16.602 21.700 ( -0.000 0.875 -11.754) 11.787 24.371 ( 0.000 -2.051 12.370) 12.539 24.928 ( 0.000 -0.893 -5.785) 5.853 ======================= Grid point 355 (116/155) ======================= q-point: ( 0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 12.108 0.000 2.719) 12.410 1.389 ( 5.456 0.000 9.210) 10.704 1.687 ( -1.670 -0.000 6.868) 7.068 1.713 ( 1.447 0.000 -6.714) 6.868 2.327 ( -4.443 -0.000 4.323) 6.199 2.350 ( 1.959 0.000 -3.496) 4.007 2.768 ( 2.384 0.000 6.520) 6.942 2.811 ( 10.310 0.000 -2.819) 10.688 3.017 ( -3.440 -0.000 9.717) 10.308 3.032 ( -0.433 -0.000 2.995) 3.026 3.346 ( -3.832 -0.000 -6.707) 7.725 3.438 ( -6.584 -0.000 5.493) 8.574 3.786 ( -4.622 -0.000 5.669) 7.314 3.941 ( 0.125 0.000 5.833) 5.835 4.226 ( -1.655 -0.000 -14.415) 14.509 4.284 ( -5.303 -0.000 -8.052) 9.641 4.499 ( -1.332 -0.000 2.486) 2.820 4.600 ( 11.380 0.000 -5.109) 12.474 4.958 ( 2.272 0.000 7.168) 7.520 5.760 ( -3.763 -0.000 -13.075) 13.605 6.549 ( 0.977 0.000 3.135) 3.284 6.796 ( -5.405 -0.000 1.143) 5.525 6.998 ( 1.687 0.000 -5.826) 6.065 7.552 ( 11.217 0.000 -9.638) 14.789 7.974 ( 10.855 0.000 7.207) 13.029 8.220 ( -6.617 -0.000 -13.053) 14.634 8.467 ( -9.754 -0.000 11.561) 15.126 9.056 ( 3.778 0.000 1.019) 3.913 9.190 ( 0.861 0.000 2.130) 2.297 9.304 ( -9.819 -0.000 -4.050) 10.622 9.827 ( -2.249 -0.000 32.116) 32.194 10.585 ( 1.097 0.000 12.854) 12.901 11.604 ( -1.214 -0.000 12.849) 12.906 12.396 ( 1.195 0.000 -10.694) 10.760 12.696 ( 4.084 0.000 19.352) 19.778 12.957 ( -0.016 -0.000 -11.148) 11.148 13.097 ( -6.804 -0.000 15.733) 17.142 13.998 ( -11.121 -0.000 23.212) 25.739 14.663 ( 5.766 0.000 -18.905) 19.765 15.261 ( -14.094 -0.000 -16.007) 21.328 15.352 ( 9.742 0.000 -1.615) 9.875 16.032 ( 6.063 0.000 -11.190) 12.727 20.327 ( -2.179 -0.000 7.951) 8.245 20.720 ( -8.718 -0.000 0.254) 8.722 21.231 ( 1.376 0.000 11.017) 11.103 22.734 ( 19.869 0.000 -40.117) 44.768 24.486 ( -3.832 -0.000 12.118) 12.709 24.885 ( 0.553 0.000 -0.676) 0.873 ======================= Grid point 356 (117/155) ======================= q-point: ( 0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 10.754 -2.087 2.264) 11.186 1.454 ( 2.841 -2.220 8.892) 9.595 1.649 ( -1.305 1.046 8.278) 8.445 1.740 ( 0.648 -2.219 -6.105) 6.528 2.307 ( -0.221 -0.163 0.864) 0.907 2.381 ( 0.772 -1.108 -0.780) 1.559 2.634 ( -2.520 10.115 5.983) 12.019 2.838 ( 6.864 3.789 -3.189) 8.464 3.043 ( -0.014 -0.981 2.478) 2.665 3.111 ( 1.271 -4.739 5.457) 7.338 3.302 ( -5.205 -0.487 2.112) 5.638 3.374 ( -4.156 1.798 -1.188) 4.681 3.790 ( -0.934 -2.483 3.844) 4.670 3.988 ( 0.261 -4.911 7.089) 8.628 4.135 ( -1.246 4.894 -6.170) 7.973 4.316 ( -5.276 -4.817 -9.305) 11.731 4.512 ( 0.550 -0.835 -4.543) 4.652 4.726 ( 10.374 -5.091 -2.803) 11.891 4.993 ( 0.991 -2.084 8.152) 8.472 5.760 ( -3.279 -1.718 -11.090) 11.692 6.542 ( -0.597 1.753 1.125) 2.167 6.702 ( -7.205 2.958 2.923) 8.319 7.049 ( 2.142 -3.211 -7.906) 8.798 7.610 ( 14.020 -0.120 -0.687) 14.037 8.129 ( -7.637 3.215 -6.337) 10.431 8.248 ( 4.169 -5.186 2.751) 7.200 8.411 ( -0.966 -11.918 1.337) 12.032 9.049 ( 0.321 3.724 -5.559) 6.699 9.205 ( -5.919 -1.653 1.153) 6.253 9.294 ( -2.736 -6.837 1.866) 7.596 9.860 ( -1.023 -4.728 32.781) 33.136 10.595 ( 0.348 -0.341 12.283) 12.292 11.639 ( -1.447 -4.850 13.654) 14.562 12.396 ( 1.345 0.108 -5.561) 5.722 12.731 ( 5.530 0.764 11.178) 12.494 12.967 ( -3.397 -2.782 6.417) 7.775 13.099 ( -4.877 -4.198 4.792) 8.023 13.957 ( -7.464 -2.173 21.080) 22.468 14.706 ( 7.064 0.563 -15.464) 17.011 15.162 ( -11.496 1.250 -15.203) 19.101 15.379 ( 4.382 2.193 -4.557) 6.692 16.050 ( 4.823 2.007 -11.691) 12.805 20.294 ( -1.319 1.664 8.708) 8.963 20.714 ( -5.696 -3.921 -1.339) 7.043 21.218 ( 0.922 2.259 11.235) 11.497 22.743 ( 14.326 11.006 -40.042) 43.928 24.448 ( -2.975 1.478 13.370) 13.777 24.904 ( 0.210 -1.447 -1.558) 2.137 ======================= Grid point 357 (118/155) ======================= q-point: ( 0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 7.481 -0.895 5.321) 9.224 1.481 ( 0.234 -1.704 8.935) 9.099 1.684 ( 0.191 -4.267 7.003) 8.203 1.801 ( -0.468 -4.350 -6.487) 7.825 2.296 ( 3.723 4.308 1.477) 5.882 2.361 ( -0.721 3.602 4.228) 5.600 2.488 ( -5.235 1.528 -3.917) 6.715 2.764 ( 2.583 7.700 -4.549) 9.309 3.019 ( -3.856 3.047 3.054) 5.786 3.105 ( 3.200 2.297 2.073) 4.451 3.311 ( -3.421 1.836 -5.011) 6.339 3.389 ( -0.821 -6.400 4.153) 7.673 3.863 ( 5.937 -3.687 3.745) 7.929 4.057 ( -4.540 -1.688 2.703) 5.547 4.121 ( 5.099 -3.282 6.298) 8.743 4.384 ( -4.841 -6.159 -8.615) 11.644 4.516 ( 0.521 0.448 -3.610) 3.675 4.865 ( 8.871 -2.588 -2.824) 9.663 5.014 ( -0.890 0.391 9.595) 9.644 5.759 ( -1.754 0.289 -4.993) 5.300 6.463 ( -5.667 3.212 1.597) 6.707 6.695 ( -1.650 -4.795 -0.636) 5.110 7.100 ( -0.143 -1.294 -13.173) 13.237 7.725 ( 10.215 -1.420 0.412) 10.321 8.019 ( -6.076 0.042 8.900) 10.776 8.165 ( -2.244 6.133 -5.525) 8.554 8.746 ( 9.238 -3.668 -11.449) 15.162 8.941 ( -3.977 2.889 -10.884) 11.943 9.343 ( -3.153 -17.638 7.064) 19.260 9.481 ( -2.800 -18.597 3.988) 19.225 9.964 ( 0.087 -6.448 30.726) 31.395 10.595 ( -0.818 0.222 11.506) 11.538 11.765 ( -1.016 -10.214 15.333) 18.451 12.437 ( 1.466 -4.028 -0.136) 4.289 12.694 ( 2.808 6.194 2.414) 7.216 13.050 ( -3.364 -8.958 23.875) 25.722 13.164 ( -1.982 -4.742 -4.106) 6.578 13.975 ( -3.981 -3.445 18.741) 19.467 14.678 ( 5.300 8.820 -3.816) 10.975 15.097 ( -6.306 -1.364 -19.058) 20.120 15.356 ( 0.080 0.999 -7.508) 7.575 16.012 ( 3.095 5.259 -12.733) 14.119 20.270 ( -0.293 0.316 9.861) 9.871 20.772 ( -2.761 -5.265 -5.025) 7.784 21.167 ( 0.254 3.624 10.755) 11.352 22.543 ( 7.941 18.112 -34.490) 39.758 24.404 ( -1.616 1.721 13.976) 14.174 24.928 ( -0.040 -0.906 -3.297) 3.419 ======================= Grid point 358 (119/155) ======================= q-point: ( 0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 2.928 -1.406 10.190) 10.695 1.534 ( 0.283 -3.387 4.292) 5.475 1.762 ( -0.427 -3.917 7.511) 8.482 1.887 ( -0.179 -5.271 -8.631) 10.114 2.196 ( 1.633 5.822 5.592) 8.236 2.309 ( -1.536 2.304 -1.590) 3.193 2.453 ( -1.172 1.540 -6.828) 7.097 2.616 ( -0.000 8.703 -5.409) 10.247 2.946 ( -1.017 2.268 4.086) 4.782 3.082 ( 0.820 2.131 -0.022) 2.284 3.276 ( -1.849 -0.169 -5.915) 6.199 3.446 ( -0.105 0.088 -0.897) 0.908 3.988 ( 8.641 -4.301 6.756) 11.782 4.070 ( -1.554 -2.162 6.400) 6.931 4.156 ( -1.853 1.967 6.016) 6.595 4.467 ( -1.271 -4.880 -5.493) 7.457 4.510 ( -0.364 0.708 -0.093) 0.802 4.910 ( 4.501 2.562 -6.788) 8.538 4.984 ( -0.837 1.290 14.991) 15.070 5.722 ( -0.604 3.063 0.067) 3.122 6.403 ( -3.377 -0.542 2.697) 4.355 6.817 ( 0.184 -8.655 -5.720) 10.377 7.106 ( -1.065 -0.485 -12.290) 12.346 7.748 ( 0.983 0.207 -2.457) 2.655 8.017 ( 1.284 6.448 -10.329) 12.244 8.111 ( -1.703 -6.150 10.290) 12.108 8.682 ( 0.990 6.770 -15.614) 17.047 8.899 ( -0.083 3.521 -9.552) 10.181 9.626 ( -0.266 -15.568 13.744) 20.768 9.972 ( 0.174 -30.059 2.668) 30.178 10.067 ( -0.404 -4.745 26.656) 27.078 10.579 ( -1.065 0.845 10.331) 10.420 11.987 ( 0.219 -13.949 18.155) 22.896 12.551 ( 2.774 -0.081 4.315) 5.130 12.582 ( -1.947 -1.358 4.394) 4.994 13.216 ( 0.318 -3.301 -4.785) 5.822 13.241 ( -1.849 -11.615 20.633) 23.750 14.014 ( -1.566 -2.334 16.365) 16.605 14.452 ( 1.432 17.217 7.164) 18.703 15.126 ( -1.754 -3.584 -23.531) 23.867 15.364 ( -0.505 -2.102 -9.113) 9.366 15.902 ( 1.340 8.262 -13.347) 15.754 20.275 ( 0.053 -0.640 10.756) 10.775 20.860 ( -0.460 -5.544 -8.082) 9.812 21.099 ( -0.387 3.623 9.942) 10.589 22.237 ( 2.806 18.587 -26.382) 32.393 24.368 ( -0.577 1.488 13.561) 13.654 24.933 ( -0.036 0.266 -4.898) 4.905 ======================= Grid point 359 (120/155) ======================= q-point: ( 0.70 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -0.000 2.022 9.340) 9.556 1.608 ( 0.000 -4.229 3.478) 5.475 1.824 ( 0.000 -3.639 6.610) 7.545 1.952 ( 0.000 -1.041 -4.099) 4.229 2.177 ( 0.000 -3.999 -0.842) 4.087 2.233 ( -0.000 5.594 -4.843) 7.399 2.418 ( -0.000 1.505 -5.576) 5.776 2.480 ( -0.000 5.907 -5.853) 8.316 2.933 ( 0.000 -0.730 3.745) 3.816 3.059 ( 0.000 -0.235 -2.075) 2.088 3.277 ( -0.000 0.347 -5.913) 5.923 3.402 ( -0.000 4.003 -3.726) 5.469 3.996 ( -0.000 7.000 5.932) 9.175 4.100 ( 0.000 -1.023 5.750) 5.840 4.173 ( 0.000 -6.830 9.329) 11.562 4.456 ( -0.000 4.350 2.623) 5.080 4.518 ( -0.000 0.278 0.777) 0.825 4.845 ( -0.000 6.255 -9.538) 11.406 4.966 ( 0.000 -0.132 14.868) 14.869 5.653 ( -0.000 3.641 1.714) 4.024 6.461 ( 0.000 -7.312 4.882) 8.792 6.979 ( 0.000 -8.247 -7.443) 11.109 7.108 ( -0.000 0.425 -6.429) 6.443 7.772 ( 0.000 -1.478 -9.285) 9.402 7.906 ( -0.000 4.442 -6.836) 8.153 8.212 ( 0.000 -4.992 2.888) 5.767 8.597 ( -0.000 2.977 -16.592) 16.857 8.807 ( -0.000 5.996 -9.857) 11.538 9.896 ( 0.000 -13.507 20.225) 24.320 10.105 ( -0.000 0.084 23.548) 23.549 10.434 ( 0.000 -19.336 3.922) 19.729 10.548 ( -0.000 2.468 8.310) 8.669 12.213 ( 0.000 -9.904 21.524) 23.693 12.415 ( -0.000 8.288 14.536) 16.732 12.808 ( 0.000 -16.569 -1.661) 16.652 13.199 ( -0.000 4.414 -6.947) 8.231 13.501 ( 0.000 -16.185 18.026) 24.226 13.986 ( -0.000 9.058 10.622) 13.959 14.170 ( -0.000 9.273 14.507) 17.218 15.184 ( 0.000 -3.616 -23.949) 24.220 15.419 ( 0.000 -3.821 -10.281) 10.968 15.747 ( -0.000 8.954 -12.404) 15.298 20.284 ( 0.000 -0.222 11.417) 11.419 20.957 ( 0.000 -5.096 -10.726) 11.875 21.040 ( -0.000 2.469 9.448) 9.765 21.949 ( -0.000 13.658 -18.930) 23.343 24.346 ( -0.000 0.647 12.773) 12.790 24.923 ( -0.000 0.594 -5.870) 5.900 ======================= Grid point 367 (121/155) ======================= q-point: ( 0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 9.330 0.000 0.056) 9.330 1.450 ( 3.684 0.000 7.521) 8.375 1.654 ( -3.404 -0.000 8.491) 9.148 1.726 ( 0.578 0.000 -6.083) 6.110 2.280 ( -2.692 -0.000 5.795) 6.390 2.377 ( 1.926 0.000 -4.684) 5.064 2.800 ( 2.175 0.000 6.704) 7.048 2.912 ( 3.611 0.000 -1.317) 3.843 2.994 ( 1.714 0.000 8.399) 8.572 3.042 ( 1.986 0.000 3.169) 3.740 3.302 ( -3.402 -0.000 -3.419) 4.823 3.332 ( -8.484 -0.000 4.307) 9.514 3.753 ( -0.367 -0.000 1.684) 1.724 3.952 ( 0.926 0.000 7.107) 7.167 4.201 ( -6.614 -0.000 -11.887) 13.603 4.213 ( -0.546 -0.000 -12.721) 12.733 4.489 ( -0.220 -0.000 -1.627) 1.642 4.725 ( 7.485 0.000 -3.644) 8.325 4.981 ( 1.352 0.000 10.074) 10.164 5.719 ( -2.516 -0.000 -13.936) 14.162 6.570 ( 2.205 0.000 4.520) 5.029 6.720 ( -5.786 -0.000 0.574) 5.815 7.011 ( 0.555 0.000 -6.749) 6.772 7.724 ( 15.353 0.000 -2.725) 15.593 8.100 ( 8.049 0.000 9.591) 12.521 8.116 ( -10.585 -0.000 -10.925) 15.212 8.348 ( -7.359 -0.000 7.461) 10.479 9.095 ( 2.115 0.000 -2.808) 3.515 9.195 ( -6.467 -0.000 -3.795) 7.498 9.200 ( 0.569 0.000 2.464) 2.529 9.803 ( -1.477 -0.000 34.580) 34.611 10.597 ( 0.697 0.000 12.241) 12.261 11.590 ( -0.880 -0.000 13.881) 13.909 12.409 ( 0.727 0.000 -10.810) 10.834 12.758 ( 5.276 0.000 30.308) 30.764 12.957 ( -0.001 -0.000 -11.397) 11.397 13.005 ( -7.188 -0.000 6.850) 9.930 13.895 ( -5.151 -0.000 20.825) 21.453 14.757 ( 8.898 0.000 -17.542) 19.670 15.081 ( -13.759 -0.000 -18.145) 22.772 15.445 ( 4.890 0.000 -3.315) 5.908 16.094 ( 3.487 0.000 -11.147) 11.680 20.305 ( -1.211 -0.000 7.538) 7.634 20.642 ( -3.844 -0.000 1.704) 4.205 21.245 ( 0.719 0.000 11.922) 11.944 22.929 ( 10.468 0.000 -44.704) 45.913 24.443 ( -2.719 -0.000 13.941) 14.204 24.891 ( 0.333 0.000 -0.769) 0.838 ======================= Grid point 368 (122/155) ======================= q-point: ( 0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 5.909 -1.547 -0.251) 6.113 1.473 ( -0.147 0.028 8.141) 8.143 1.633 ( -0.882 -1.038 10.110) 10.202 1.745 ( 0.136 -1.874 -6.327) 6.601 2.295 ( -0.823 -2.415 2.914) 3.873 2.403 ( 1.525 -1.463 -4.207) 4.708 2.607 ( -1.406 13.871 8.876) 16.528 2.899 ( 2.499 4.825 -2.680) 6.059 3.042 ( -0.307 1.590 3.327) 3.700 3.144 ( 3.414 -5.425 3.601) 7.352 3.257 ( -1.302 -2.543 3.832) 4.779 3.303 ( -5.904 0.050 -1.194) 6.024 3.807 ( 2.325 -5.090 0.652) 5.633 3.981 ( -1.109 -2.214 5.788) 6.296 4.127 ( -0.062 1.155 -3.780) 3.953 4.255 ( -3.133 -4.241 -10.891) 12.100 4.516 ( 0.128 -1.164 -5.299) 5.427 4.834 ( 5.301 -6.268 -5.603) 9.939 4.995 ( -0.466 -0.756 11.601) 11.635 5.728 ( -1.445 -1.875 -11.688) 11.926 6.547 ( 1.164 7.135 1.495) 7.382 6.626 ( -4.077 -0.360 4.596) 6.154 7.063 ( 0.369 -3.378 -9.191) 9.799 7.800 ( 15.198 0.710 3.653) 15.647 7.994 ( -12.970 3.765 -2.778) 13.788 8.258 ( -0.849 4.428 -0.544) 4.541 8.452 ( 3.974 -26.998 1.168) 27.314 9.032 ( -2.230 7.660 -10.423) 13.126 9.140 ( -2.388 -1.050 3.479) 4.349 9.287 ( 0.186 -6.944 2.327) 7.325 9.850 ( -0.459 -5.493 34.073) 34.516 10.599 ( 0.152 0.237 11.883) 11.887 11.625 ( -0.618 -4.631 14.520) 15.253 12.408 ( 0.529 -0.212 -5.749) 5.777 12.810 ( 6.553 1.963 9.033) 11.331 12.903 ( -6.239 -2.407 22.579) 23.549 13.059 ( -1.451 -5.535 -8.175) 9.978 13.896 ( -2.363 -2.630 19.644) 19.960 14.807 ( 7.620 1.881 -12.468) 14.733 15.015 ( -9.702 -1.789 -20.573) 22.816 15.423 ( 1.892 4.302 -3.742) 6.007 16.093 ( 1.764 2.134 -11.722) 12.045 20.283 ( -0.458 1.277 8.491) 8.599 20.667 ( -1.732 -4.290 -0.553) 4.660 21.226 ( 0.311 2.406 11.846) 12.091 22.867 ( 4.956 11.955 -42.915) 44.824 24.419 ( -1.275 1.008 14.560) 14.650 24.906 ( 0.090 -1.264 -1.580) 2.026 ======================= Grid point 369 (123/155) ======================= q-point: ( 0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -0.000 0.368 12.645) 12.651 1.483 ( 0.000 -2.458 0.249) 2.470 1.687 ( 0.000 -4.187 8.709) 9.663 1.797 ( 0.000 -4.028 -7.757) 8.741 2.322 ( 0.000 -0.272 -0.141) 0.306 2.363 ( -0.000 11.492 9.209) 14.727 2.444 ( 0.000 -1.711 -5.906) 6.149 2.778 ( -0.000 8.693 -4.157) 9.635 2.992 ( -0.000 3.033 3.841) 4.894 3.143 ( -0.000 3.306 2.364) 4.064 3.272 ( -0.000 0.693 -4.891) 4.939 3.383 ( 0.000 -6.792 2.350) 7.187 3.932 ( 0.000 -6.597 1.747) 6.825 3.995 ( 0.000 -1.394 6.337) 6.489 4.170 ( 0.000 -2.521 5.065) 5.658 4.341 ( 0.000 -6.665 -10.667) 12.578 4.519 ( -0.000 0.307 -3.117) 3.132 4.937 ( 0.000 -1.766 -8.194) 8.382 4.996 ( -0.000 0.185 15.191) 15.192 5.747 ( 0.000 -0.170 -5.440) 5.443 6.426 ( -0.000 4.261 2.800) 5.099 6.684 ( 0.000 -5.812 -0.395) 5.826 7.098 ( 0.000 -0.455 -14.057) 14.064 7.812 ( -0.000 5.723 -4.327) 7.175 7.960 ( 0.000 -7.686 17.102) 18.749 8.150 ( -0.000 6.733 -8.434) 10.792 8.845 ( -0.000 10.288 -13.626) 17.073 8.880 ( 0.000 -9.441 -10.117) 13.838 9.316 ( 0.000 -21.250 7.990) 22.703 9.467 ( 0.000 -16.710 4.956) 17.430 9.965 ( 0.000 -6.616 30.849) 31.551 10.590 ( -0.000 0.681 11.354) 11.375 11.758 ( 0.000 -10.493 15.802) 18.968 12.447 ( 0.000 -4.204 -0.277) 4.214 12.715 ( -0.000 7.744 -0.231) 7.747 13.025 ( 0.000 -10.103 31.512) 33.092 13.152 ( 0.000 -4.937 -8.660) 9.969 13.949 ( 0.000 -3.778 18.353) 18.738 14.719 ( -0.000 10.796 -1.213) 10.864 15.047 ( 0.000 -4.226 -23.755) 24.128 15.359 ( -0.000 2.145 -6.153) 6.516 16.032 ( -0.000 5.417 -12.821) 13.918 20.268 ( -0.000 0.111 9.807) 9.808 20.755 ( 0.000 -5.687 -4.826) 7.459 21.168 ( -0.000 3.833 11.128) 11.770 22.594 ( -0.000 18.905 -35.613) 40.320 24.393 ( -0.000 1.474 14.364) 14.439 24.928 ( 0.000 -0.862 -3.295) 3.406 ======================= Grid point 380 (124/155) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 0.000 0.000 -3.901) 3.901 1.475 ( 0.000 0.000 7.018) 7.018 1.622 ( -0.000 0.000 11.965) 11.965 1.729 ( 0.000 0.000 -6.033) 6.033 2.262 ( 0.000 0.000 6.346) 6.346 2.390 ( -0.000 0.000 -5.088) 5.088 2.815 ( 0.000 0.000 6.157) 6.157 2.920 ( -0.000 0.000 3.370) 3.370 3.026 ( 0.000 0.000 2.430) 2.430 3.064 ( 0.000 0.000 3.320) 3.320 3.266 ( -0.000 0.000 4.019) 4.019 3.274 ( 0.000 0.000 0.245) 0.245 3.758 ( 0.000 0.000 -0.618) 0.618 3.958 ( -0.000 0.000 7.482) 7.482 4.151 ( 0.000 0.000 -13.213) 13.213 4.210 ( 0.000 0.000 -10.816) 10.816 4.489 ( -0.000 0.000 -4.290) 4.290 4.775 ( 0.000 0.000 -3.221) 3.221 4.990 ( 0.000 0.000 11.333) 11.333 5.702 ( 0.000 0.000 -14.367) 14.367 6.592 ( -0.000 0.000 7.134) 7.134 6.673 ( 0.000 0.000 -1.966) 1.966 7.014 ( 0.000 0.000 -7.268) 7.268 7.895 ( -0.000 0.000 7.255) 7.255 7.976 ( 0.000 0.000 -14.014) 14.014 8.155 ( 0.000 0.000 11.436) 11.436 8.301 ( 0.000 0.000 2.460) 2.460 9.107 ( -0.000 0.000 -10.084) 10.084 9.154 ( 0.000 0.000 1.221) 1.221 9.203 ( 0.000 0.000 2.644) 2.644 9.793 ( 0.000 0.000 35.607) 35.607 10.602 ( 0.000 0.000 12.013) 12.013 11.584 ( 0.000 0.000 14.301) 14.301 12.414 ( 0.000 0.000 -10.858) 10.858 12.805 ( 0.000 0.000 45.833) 45.833 12.945 ( -0.000 0.000 -8.081) 8.081 12.957 ( 0.000 0.000 -11.488) 11.488 13.863 ( 0.000 0.000 19.863) 19.863 14.858 ( 0.000 0.000 -13.008) 13.008 14.949 ( 0.000 0.000 -22.981) 22.981 15.477 ( 0.000 0.000 -3.762) 3.762 16.117 ( 0.000 0.000 -11.120) 11.120 20.297 ( 0.000 0.000 7.407) 7.407 20.618 ( 0.000 0.000 2.103) 2.103 21.249 ( 0.000 0.000 12.236) 12.236 22.996 ( 0.000 0.000 -46.368) 46.368 24.424 ( 0.000 0.000 14.831) 14.831 24.893 ( 0.000 0.000 -0.805) 0.805 ======================= Grid point 428 (125/155) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 0.000 0.000 12.036) 12.036 1.306 ( 0.000 0.000 -19.816) 19.816 1.545 ( 0.000 0.000 11.551) 11.551 1.719 ( 0.000 0.000 -5.513) 5.513 2.318 ( 0.000 0.000 -1.494) 1.494 2.322 ( 0.000 0.000 -0.918) 0.918 2.683 ( 0.000 0.000 3.905) 3.905 2.748 ( 0.000 0.000 -1.922) 1.922 3.073 ( 0.000 0.000 1.480) 1.480 3.088 ( 0.000 0.000 0.296) 0.296 3.705 ( 0.000 0.000 15.479) 15.479 3.860 ( 0.000 0.000 11.188) 11.188 3.912 ( 0.000 0.000 8.052) 8.052 4.039 ( 0.000 0.000 -2.798) 2.798 4.062 ( 0.000 0.000 -12.393) 12.393 4.205 ( 0.000 0.000 -14.711) 14.711 4.390 ( 0.000 0.000 1.543) 1.543 4.410 ( 0.000 0.000 -2.549) 2.549 5.181 ( 0.000 0.000 21.054) 21.054 5.585 ( 0.000 0.000 -17.367) 17.367 6.673 ( 0.000 0.000 10.974) 10.974 6.739 ( 0.000 0.000 -2.914) 2.914 6.749 ( 0.000 0.000 -4.653) 4.653 6.984 ( 0.000 0.000 -18.758) 18.758 7.987 ( 0.000 0.000 10.508) 10.508 8.199 ( 0.000 0.000 -10.531) 10.531 8.783 ( 0.000 0.000 7.470) 7.470 8.912 ( 0.000 0.000 -4.903) 4.903 9.288 ( 0.000 0.000 7.153) 7.153 9.437 ( 0.000 0.000 -7.154) 7.154 10.420 ( 0.000 0.000 22.284) 22.284 10.690 ( 0.000 0.000 -3.058) 3.058 11.868 ( 0.000 0.000 12.595) 12.595 12.127 ( 0.000 0.000 -12.522) 12.522 12.715 ( 0.000 0.000 2.513) 2.513 12.786 ( 0.000 0.000 -5.752) 5.752 13.679 ( 0.000 0.000 23.239) 23.239 14.147 ( 0.000 0.000 -22.586) 22.586 14.954 ( 0.000 0.000 16.194) 16.194 15.189 ( 0.000 0.000 20.141) 20.141 15.302 ( 0.000 0.000 -17.219) 17.219 15.554 ( 0.000 0.000 -15.661) 15.661 20.627 ( 0.000 0.000 12.864) 12.864 20.918 ( 0.000 0.000 -15.785) 15.785 21.367 ( 0.000 0.000 10.300) 10.300 21.597 ( 0.000 0.000 -12.236) 12.236 24.740 ( 0.000 0.000 6.431) 6.431 24.836 ( 0.000 0.000 -3.071) 3.071 ======================= Grid point 429 (126/155) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 4.197 -6.481 11.487) 13.840 1.357 ( 1.713 -4.776 -17.780) 18.490 1.608 ( 1.121 -4.866 10.062) 11.233 1.753 ( -0.031 -3.836 -3.879) 5.455 2.262 ( 0.665 4.347 1.821) 4.759 2.329 ( 0.982 1.159 -4.612) 4.856 2.644 ( -0.012 3.611 4.720) 5.943 2.737 ( -0.401 1.737 -3.609) 4.025 3.024 ( 1.490 4.016 3.271) 5.389 3.082 ( 0.555 1.486 -2.312) 2.803 3.611 ( -3.236 7.015 15.279) 17.121 3.827 ( -11.806 0.434 3.970) 12.463 3.946 ( 0.994 1.430 1.601) 2.366 4.053 ( 1.017 -2.329 0.047) 2.542 4.085 ( 7.386 -1.929 -3.357) 8.339 4.234 ( -2.776 -3.827 -9.343) 10.471 4.348 ( 0.780 2.288 2.862) 3.746 4.450 ( 1.180 -1.848 -6.174) 6.552 5.221 ( 0.368 -3.769 20.185) 20.537 5.611 ( -0.804 -2.596 -16.521) 16.743 6.714 ( -3.137 -3.612 6.266) 7.883 6.748 ( 2.214 -3.865 2.298) 5.012 6.849 ( 3.167 -6.353 -5.978) 9.280 6.999 ( 3.521 -1.497 -14.736) 15.224 8.078 ( -0.590 -9.040 5.521) 10.609 8.218 ( -2.605 -2.659 -8.214) 9.018 8.703 ( 0.532 8.273 9.127) 12.330 8.875 ( 0.784 4.839 -7.548) 9.000 9.323 ( -0.545 -4.880 6.514) 8.157 9.457 ( -1.717 -3.756 -6.464) 7.671 10.438 ( 0.038 -2.046 22.346) 22.440 10.710 ( -0.057 -2.016 -3.359) 3.918 11.919 ( 0.071 -5.452 12.417) 13.561 12.166 ( 0.235 -4.255 -11.373) 12.145 12.726 ( 0.236 -1.476 4.686) 4.919 12.842 ( -0.031 -5.519 -7.078) 8.976 13.695 ( -0.138 -1.688 23.186) 23.248 14.154 ( 0.444 -0.439 -21.239) 21.248 14.905 ( -7.154 2.265 17.231) 18.794 15.208 ( 4.101 0.325 16.917) 17.410 15.268 ( -3.798 1.940 -16.735) 17.269 15.558 ( 2.775 0.881 -15.674) 15.942 20.590 ( -1.662 2.942 12.852) 13.289 20.878 ( -4.633 2.285 -15.411) 16.254 21.359 ( 2.218 1.777 10.700) 11.071 21.601 ( 6.510 2.153 -13.192) 14.867 24.726 ( -0.340 1.309 7.577) 7.697 24.844 ( -0.071 -0.582 -4.125) 4.166 ======================= Grid point 430 (127/155) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 5.172 -8.552 11.370) 15.138 1.483 ( 2.261 -7.181 -13.807) 15.726 1.681 ( 1.341 -2.307 10.600) 10.931 1.843 ( -0.721 -5.329 -4.924) 7.291 2.192 ( 1.739 3.788 3.144) 5.221 2.300 ( 1.982 2.786 -7.085) 7.867 2.565 ( -0.654 5.047 4.525) 6.810 2.669 ( -3.289 4.464 -4.512) 7.149 2.982 ( 4.410 2.394 3.181) 5.941 3.062 ( 1.261 0.924 -4.233) 4.513 3.450 ( -3.610 8.018 11.798) 14.715 3.666 ( -9.051 8.337 -6.263) 13.808 3.921 ( -0.418 1.388 7.808) 7.942 4.073 ( -2.394 0.362 -2.280) 3.326 4.204 ( 9.111 -4.051 3.178) 10.465 4.296 ( -0.635 -4.406 1.713) 4.770 4.367 ( 2.377 -3.780 -1.804) 4.816 4.488 ( 1.870 -1.375 -8.315) 8.633 5.290 ( 0.677 -2.846 19.037) 19.261 5.645 ( -0.479 -1.374 -13.884) 13.960 6.763 ( -4.795 -4.609 4.738) 8.166 6.837 ( -6.148 -5.943 -1.683) 8.714 6.966 ( 2.370 -4.675 0.206) 5.246 7.129 ( 9.631 -7.114 -12.142) 17.052 8.181 ( -2.488 -0.209 2.169) 3.307 8.274 ( -2.014 -4.777 -6.187) 8.072 8.538 ( 1.368 8.797 9.144) 12.762 8.753 ( 0.879 8.442 -11.148) 14.011 9.489 ( 0.026 -14.333 6.006) 15.540 9.598 ( -1.324 -14.045 -5.006) 14.969 10.491 ( -0.026 -3.517 21.233) 21.523 10.749 ( -0.738 -2.240 -3.487) 4.210 12.057 ( -0.080 -9.726 12.262) 15.651 12.281 ( 0.107 -8.435 -9.030) 12.357 12.768 ( 0.048 -2.690 9.033) 9.425 12.958 ( -0.210 -6.799 -9.289) 11.513 13.730 ( -0.011 -2.082 23.156) 23.250 14.164 ( 1.231 -0.041 -17.658) 17.700 14.797 ( -7.353 4.596 17.338) 19.385 15.156 ( -6.344 4.270 -11.771) 14.037 15.247 ( 3.628 0.687 7.067) 7.974 15.546 ( 3.059 2.680 -15.426) 15.953 20.527 ( -1.601 2.289 12.615) 12.920 20.804 ( -5.061 1.806 -14.606) 15.563 21.331 ( 2.945 3.141 11.303) 12.095 21.591 ( 7.968 4.253 -14.435) 17.027 24.692 ( -0.534 2.105 9.287) 9.537 24.844 ( -0.286 0.533 -5.818) 5.849 ======================= Grid point 431 (128/155) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 4.834 -8.294 11.545) 15.014 1.623 ( 1.788 -6.575 -9.862) 11.987 1.721 ( 0.838 -1.609 10.371) 10.529 1.906 ( -1.159 -2.101 -7.008) 7.407 2.154 ( 2.142 2.055 3.477) 4.572 2.269 ( 1.946 1.833 -7.473) 7.936 2.455 ( -1.848 5.995 3.183) 7.035 2.546 ( -4.610 5.981 -4.572) 8.827 2.987 ( 4.057 0.563 2.449) 4.772 3.060 ( -0.237 0.449 -4.054) 4.086 3.298 ( -0.334 6.679 6.818) 9.550 3.460 ( -3.442 9.434 -7.333) 12.435 3.900 ( 2.056 0.684 8.139) 8.422 4.038 ( -1.871 0.717 -3.207) 3.782 4.315 ( 4.473 -2.564 5.447) 7.500 4.382 ( 3.328 -3.349 1.975) 5.118 4.481 ( 2.862 -5.444 -2.897) 6.799 4.524 ( 1.363 -2.369 -5.621) 6.250 5.322 ( 0.964 -0.241 19.395) 19.420 5.648 ( 0.094 0.995 -11.107) 11.152 6.799 ( -8.296 -3.939 5.154) 10.531 6.894 ( -6.736 -4.882 -0.404) 8.329 7.045 ( 0.887 -2.935 2.418) 3.905 7.295 ( 6.079 -4.473 -17.168) 18.754 8.112 ( -3.211 4.383 7.291) 9.093 8.260 ( -3.518 2.254 -3.403) 5.388 8.445 ( 3.266 5.019 1.184) 6.104 8.624 ( 2.957 6.573 -12.174) 14.148 9.819 ( 1.120 -20.313 7.458) 21.668 9.932 ( 0.972 -21.556 -4.093) 21.962 10.549 ( -0.745 -2.644 18.392) 18.596 10.769 ( -2.033 -0.703 -3.021) 3.708 12.261 ( 0.350 -12.635 12.566) 17.824 12.465 ( -0.030 -11.786 -7.009) 13.713 12.808 ( -0.598 -1.553 13.197) 13.302 13.059 ( -0.954 -4.172 -10.900) 11.710 13.772 ( 0.928 -2.674 22.842) 23.017 14.173 ( 2.389 0.184 -13.379) 13.592 14.638 ( -5.262 8.858 17.404) 20.225 15.016 ( -7.030 6.166 -17.408) 19.761 15.258 ( 1.945 -0.074 5.916) 6.228 15.501 ( 1.909 3.820 -14.147) 14.777 20.499 ( -0.587 0.029 12.170) 12.184 20.761 ( -3.380 -0.037 -13.523) 13.939 21.288 ( 2.393 3.348 11.459) 12.175 21.552 ( 6.056 4.838 -14.551) 16.486 24.646 ( -0.566 2.491 10.270) 10.583 24.821 ( -0.369 1.629 -7.085) 7.279 ======================= Grid point 432 (129/155) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 4.100 -6.637 9.948) 12.643 1.711 ( -0.537 -1.344 3.555) 3.839 1.769 ( 1.291 -3.991 -3.041) 5.181 1.904 ( -1.490 1.162 -6.793) 7.051 2.142 ( 1.826 0.435 4.028) 4.444 2.243 ( -0.855 2.387 -5.102) 5.697 2.352 ( -0.634 3.641 0.931) 3.811 2.419 ( -2.630 4.680 -4.203) 6.818 2.996 ( 0.845 0.797 1.550) 1.937 3.025 ( -1.859 1.989 -1.544) 3.130 3.230 ( 1.433 1.495 0.849) 2.238 3.307 ( 0.051 5.893 -5.691) 8.192 3.935 ( 4.469 -1.678 6.320) 7.920 4.052 ( 2.050 -2.121 -3.872) 4.867 4.343 ( -0.422 0.431 3.508) 3.560 4.399 ( 0.597 2.913 -1.535) 3.347 4.565 ( 1.956 -3.792 2.552) 4.972 4.626 ( 2.374 -4.739 -2.767) 5.979 5.326 ( 0.796 0.015 19.009) 19.026 5.612 ( -0.038 2.697 -8.159) 8.593 6.809 ( -7.263 -3.035 5.067) 9.361 6.901 ( -4.371 0.182 -1.665) 4.681 7.103 ( 0.292 -3.302 4.658) 5.717 7.357 ( 2.186 0.033 -19.262) 19.386 8.033 ( -1.858 1.868 8.673) 9.064 8.218 ( -2.629 0.052 -8.083) 8.500 8.374 ( 2.237 4.042 2.093) 5.071 8.546 ( 2.840 4.530 -11.678) 12.843 10.171 ( 2.109 -16.355 10.222) 19.402 10.303 ( 2.527 -16.099 -2.502) 16.487 10.564 ( -1.170 0.088 14.279) 14.327 10.739 ( -3.362 2.439 -2.589) 4.894 12.492 ( 1.420 -11.322 13.842) 17.939 12.688 ( 0.005 -11.676 -3.946) 12.324 12.812 ( -0.928 -0.192 13.116) 13.150 13.074 ( -1.761 1.897 -10.659) 10.969 13.857 ( 2.459 -5.920 20.211) 21.203 14.189 ( 2.572 0.030 -8.623) 8.998 14.416 ( -3.937 11.797 19.665) 23.268 14.863 ( -4.942 5.776 -23.286) 24.496 15.277 ( 0.603 -0.992 2.291) 2.568 15.445 ( 0.620 2.913 -11.432) 11.814 20.509 ( 0.053 -0.877 11.775) 11.808 20.755 ( -1.574 -0.746 -12.409) 12.531 21.249 ( 1.286 2.121 11.171) 11.443 21.506 ( 3.059 3.227 -13.903) 14.597 24.603 ( -0.366 1.760 10.628) 10.779 24.790 ( -0.242 1.413 -7.827) 7.958 ======================= Grid point 433 (130/155) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 -0.000 7.603) 7.603 1.682 ( -0.000 0.000 8.219) 8.219 1.840 ( 0.000 -0.000 -7.006) 7.006 1.864 ( -0.000 -0.000 -6.682) 6.682 2.172 ( 0.000 -0.000 1.577) 1.577 2.177 ( -0.000 0.000 0.593) 0.593 2.324 ( -0.000 -0.000 -0.937) 0.937 2.367 ( -0.000 -0.000 -4.233) 4.233 2.979 ( 0.000 0.000 0.898) 0.898 3.000 ( -0.000 -0.000 -1.990) 1.990 3.239 ( -0.000 0.000 -2.670) 2.670 3.246 ( 0.000 -0.000 -1.903) 1.903 3.975 ( 0.000 -0.000 6.221) 6.221 4.095 ( -0.000 -0.000 -4.739) 4.739 4.328 ( -0.000 -0.000 1.586) 1.586 4.355 ( 0.000 0.000 -0.880) 0.880 4.613 ( 0.000 0.000 4.284) 4.284 4.678 ( 0.000 -0.000 -1.698) 1.698 5.331 ( -0.000 -0.000 17.593) 17.593 5.580 ( 0.000 -0.000 -6.302) 6.302 6.818 ( -0.000 -0.000 3.355) 3.355 6.872 ( 0.000 -0.000 -0.222) 0.222 7.142 ( -0.000 -0.000 3.812) 3.812 7.355 ( 0.000 -0.000 -18.139) 18.139 8.014 ( 0.000 -0.000 8.529) 8.529 8.213 ( 0.000 -0.000 -11.604) 11.604 8.345 ( -0.000 -0.000 3.527) 3.527 8.509 ( 0.000 -0.000 -11.072) 11.072 10.385 ( 0.000 -0.000 11.364) 11.364 10.414 ( -0.000 0.000 9.206) 9.206 10.608 ( 0.000 -0.000 1.851) 1.851 10.649 ( -0.000 0.000 -2.630) 2.630 12.624 ( 0.000 -0.000 16.301) 16.301 12.749 ( 0.000 -0.000 13.916) 13.916 12.897 ( 0.000 -0.000 -7.786) 7.786 12.997 ( -0.000 0.000 -7.814) 7.814 13.964 ( 0.000 -0.000 14.648) 14.648 14.180 ( 0.000 0.000 3.870) 3.870 14.265 ( -0.000 0.000 15.460) 15.460 14.786 ( 0.000 -0.000 -27.485) 27.485 15.291 ( 0.000 -0.000 0.284) 0.284 15.418 ( -0.000 -0.000 -9.543) 9.543 20.519 ( 0.000 -0.000 11.611) 11.611 20.759 ( 0.000 -0.000 -11.901) 11.901 21.233 ( -0.000 -0.000 10.945) 10.945 21.485 ( 0.000 -0.000 -13.500) 13.500 24.585 ( 0.000 -0.000 10.700) 10.700 24.775 ( -0.000 -0.000 -8.072) 8.072 ======================= Grid point 440 (131/155) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 8.999 0.000 10.986) 14.201 1.330 ( 3.624 0.000 -16.655) 17.044 1.563 ( 2.562 0.000 9.558) 9.896 1.721 ( 0.222 0.000 -5.029) 5.034 2.322 ( 0.041 0.000 -0.184) 0.188 2.334 ( 2.189 0.000 -2.011) 2.972 2.684 ( 0.550 0.000 4.197) 4.233 2.755 ( 1.204 0.000 -2.009) 2.342 3.080 ( 0.847 0.000 1.617) 1.825 3.097 ( 1.420 0.000 0.202) 1.434 3.686 ( -3.156 -0.000 12.599) 12.989 3.695 ( -15.367 -0.000 10.971) 18.881 3.967 ( -1.566 -0.000 -0.791) 1.755 4.004 ( -5.366 -0.000 -7.895) 9.546 4.132 ( 10.671 0.000 -4.318) 11.512 4.171 ( -3.562 -0.000 -3.961) 5.327 4.378 ( -1.667 -0.000 1.238) 2.077 4.439 ( 3.345 0.000 -5.820) 6.712 5.186 ( 0.854 0.000 20.293) 20.311 5.571 ( -1.891 -0.000 -16.582) 16.689 6.669 ( -0.361 -0.000 9.714) 9.721 6.784 ( 4.515 0.000 -4.712) 6.526 6.786 ( 6.634 0.000 -0.157) 6.636 7.007 ( 4.246 0.000 -18.289) 18.775 7.975 ( -1.526 -0.000 9.109) 9.236 8.165 ( -4.897 -0.000 -9.929) 11.070 8.792 ( 1.042 0.000 7.999) 8.066 8.927 ( 2.174 0.000 -4.977) 5.431 9.275 ( -1.939 -0.000 6.361) 6.650 9.410 ( -4.146 -0.000 -6.575) 7.773 10.420 ( -0.013 -0.000 22.442) 22.442 10.691 ( 0.204 0.000 -3.098) 3.105 11.870 ( 0.267 0.000 12.778) 12.781 12.131 ( 0.639 0.000 -12.583) 12.599 12.720 ( 0.800 0.000 1.963) 2.120 12.784 ( -0.203 -0.000 -5.690) 5.694 13.677 ( -0.268 -0.000 23.902) 23.903 14.153 ( 0.958 0.000 -22.699) 22.719 14.853 ( -12.981 -0.000 19.824) 23.696 15.239 ( -9.112 -0.000 -17.897) 20.083 15.259 ( 8.439 0.000 16.528) 18.558 15.593 ( 5.375 0.000 -15.432) 16.341 20.602 ( -3.537 -0.000 11.812) 12.330 20.855 ( -8.403 -0.000 -12.715) 15.241 21.398 ( 4.372 0.000 12.039) 12.809 21.685 ( 12.141 0.000 -16.524) 20.505 24.735 ( -0.775 -0.000 6.746) 6.791 24.836 ( 0.025 0.000 -3.259) 3.259 ======================= Grid point 441 (132/155) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 9.888 -4.896 10.093) 14.954 1.398 ( 4.474 -4.249 -13.530) 14.870 1.632 ( 2.439 -4.321 7.676) 9.140 1.752 ( -0.181 -3.391 -2.905) 4.469 2.275 ( 1.252 3.846 2.196) 4.602 2.350 ( 1.963 0.900 -4.792) 5.257 2.651 ( 1.624 4.077 4.291) 6.138 2.732 ( -0.087 3.662 -2.536) 4.455 3.056 ( 3.060 2.467 2.073) 4.444 3.095 ( 1.315 1.429 -1.454) 2.427 3.531 ( -8.990 5.255 10.417) 14.729 3.673 ( -11.984 1.038 3.212) 12.450 3.912 ( -3.363 0.010 0.222) 3.371 4.039 ( -3.352 -3.028 -4.850) 6.628 4.189 ( -1.270 -4.289 0.676) 4.524 4.231 ( 9.362 -3.040 -1.343) 9.935 4.345 ( -0.689 1.228 1.635) 2.158 4.480 ( 3.343 -1.552 -8.006) 8.813 5.230 ( 1.139 -3.648 19.079) 19.458 5.592 ( -1.966 -3.151 -15.433) 15.873 6.674 ( -2.738 -1.581 6.574) 7.295 6.776 ( 1.991 1.024 -3.521) 4.173 6.903 ( 4.495 -4.711 1.720) 6.734 7.087 ( 9.882 -4.357 -14.189) 17.832 8.072 ( 0.152 -9.586 2.864) 10.006 8.165 ( -4.989 -3.640 -6.521) 8.981 8.707 ( -0.502 8.705 9.921) 13.208 8.890 ( 1.249 5.703 -7.839) 9.774 9.311 ( -1.330 -5.729 5.078) 7.770 9.415 ( -4.615 -4.868 -5.027) 8.382 10.440 ( 0.133 -2.104 22.325) 22.424 10.709 ( -0.094 -1.640 -3.264) 3.654 11.920 ( 0.128 -5.276 12.718) 13.769 12.172 ( 0.641 -4.033 -11.550) 12.250 12.732 ( 0.646 -1.191 3.839) 4.071 12.842 ( -0.001 -5.545 -7.129) 9.031 13.692 ( -0.200 -1.766 24.645) 24.709 14.167 ( 1.826 -0.531 -21.301) 21.385 14.763 ( -13.739 0.178 20.096) 24.345 15.158 ( -10.870 1.641 -17.201) 20.414 15.301 ( 7.408 1.400 13.295) 15.284 15.616 ( 5.853 1.721 -15.496) 16.653 20.554 ( -3.592 2.173 11.309) 12.063 20.789 ( -8.091 0.996 -11.380) 13.999 21.407 ( 4.932 2.326 13.374) 14.443 21.735 ( 12.884 3.718 -19.193) 23.414 24.717 ( -0.955 1.205 8.001) 8.148 24.842 ( -0.169 -0.431 -4.354) 4.378 ======================= Grid point 442 (133/155) ======================= q-point: ( 0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 8.207 -6.668 9.937) 14.510 1.522 ( 3.786 -6.177 -10.402) 12.677 1.701 ( 1.593 -1.768 8.854) 9.168 1.830 ( -1.356 -4.990 -2.952) 5.954 2.222 ( 2.834 3.335 3.072) 5.348 2.328 ( 2.092 2.651 -6.497) 7.322 2.560 ( -0.093 6.583 2.564) 7.065 2.627 ( -2.489 6.324 -2.877) 7.380 3.043 ( 4.284 2.068 0.687) 4.806 3.078 ( 1.204 1.178 -2.361) 2.901 3.393 ( -5.037 5.091 7.947) 10.698 3.546 ( -9.062 4.141 -3.955) 10.719 3.912 ( -0.543 -0.448 6.585) 6.622 4.035 ( -2.805 0.511 -1.861) 3.405 4.290 ( -0.409 -6.625 2.216) 6.998 4.335 ( 8.103 -1.496 0.983) 8.298 4.380 ( 0.765 -5.788 -0.066) 5.839 4.531 ( 5.282 -0.746 -8.654) 10.166 5.303 ( 1.183 -2.836 18.336) 18.592 5.636 ( -1.069 -2.243 -13.135) 13.368 6.688 ( -6.465 -2.618 4.173) 8.128 6.777 ( -2.900 -2.418 -2.604) 4.587 6.991 ( 0.660 -3.193 5.035) 5.998 7.249 ( 8.853 -5.299 -15.537) 18.651 8.147 ( -2.213 0.123 4.114) 4.673 8.266 ( 1.380 -3.324 -5.262) 6.375 8.546 ( -0.418 6.178 8.031) 10.141 8.761 ( -0.055 7.657 -11.326) 13.672 9.488 ( -0.234 -15.245 5.122) 16.084 9.573 ( -2.470 -16.102 -3.451) 16.652 10.490 ( -0.121 -3.151 20.548) 20.788 10.736 ( -1.233 -1.514 -3.065) 3.634 12.056 ( -0.090 -9.758 12.475) 15.838 12.284 ( 0.396 -8.183 -9.348) 12.430 12.768 ( 0.005 -2.232 8.175) 8.474 12.955 ( -0.286 -6.422 -9.497) 11.468 13.732 ( 0.451 -2.471 25.567) 25.690 14.191 ( 3.199 -0.303 -17.121) 17.420 14.674 ( -11.252 1.230 16.976) 20.404 15.044 ( -10.928 3.280 -16.393) 19.973 15.301 ( 4.643 2.564 10.201) 11.498 15.598 ( 4.828 4.143 -15.728) 16.966 20.502 ( -2.051 1.142 11.207) 11.450 20.733 ( -5.501 0.042 -11.267) 12.539 21.377 ( 3.980 4.080 13.754) 14.888 21.713 ( 10.177 6.767 -19.518) 23.029 24.682 ( -0.953 1.980 9.597) 9.846 24.840 ( -0.416 0.603 -5.986) 6.030 ======================= Grid point 443 (134/155) ======================= q-point: ( 0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 6.220 -6.859 9.621) 13.353 1.652 ( 2.647 -5.520 -7.360) 9.573 1.729 ( 0.256 -1.082 9.004) 9.073 1.887 ( -1.777 -2.132 -4.865) 5.601 2.188 ( 3.161 2.701 3.753) 5.601 2.291 ( 1.210 2.814 -5.643) 6.421 2.433 ( -1.797 5.978 0.598) 6.271 2.493 ( -2.907 6.267 -4.276) 8.125 3.029 ( 2.271 1.686 0.817) 2.944 3.055 ( -0.196 1.953 -1.733) 2.619 3.286 ( -1.868 4.165 4.595) 6.477 3.416 ( -3.565 6.191 -6.380) 9.579 3.938 ( 4.111 -1.747 6.854) 8.182 4.031 ( 1.603 -1.288 -0.798) 2.206 4.357 ( 1.314 -0.379 5.662) 5.825 4.430 ( 2.036 -3.491 -1.488) 4.307 4.503 ( 0.968 -5.996 -1.042) 6.162 4.563 ( 5.822 0.141 -6.348) 8.615 5.336 ( 1.242 -0.178 18.858) 18.899 5.648 ( -0.286 0.642 -10.671) 10.694 6.688 ( -8.662 -3.438 6.530) 11.379 6.824 ( -3.973 -4.399 -2.616) 6.479 7.036 ( -2.437 -2.992 4.729) 6.104 7.353 ( 2.951 -1.921 -20.571) 20.870 8.084 ( -0.894 4.656 8.670) 9.882 8.242 ( 0.779 3.225 -2.553) 4.186 8.469 ( 0.459 4.639 1.488) 4.894 8.655 ( 1.768 5.063 -12.122) 13.255 9.834 ( 1.219 -21.182 7.745) 22.586 9.946 ( 1.169 -23.750 -3.481) 24.032 10.535 ( -1.298 -1.987 17.209) 17.372 10.738 ( -2.762 0.105 -2.430) 3.680 12.268 ( 0.749 -13.380 12.279) 18.176 12.468 ( 0.462 -11.741 -6.901) 13.627 12.797 ( -1.098 -1.008 12.395) 12.485 13.045 ( -1.213 -3.539 -11.108) 11.721 13.791 ( 2.157 -3.556 25.671) 26.006 14.218 ( 4.729 0.188 -11.862) 12.771 14.554 ( -7.656 6.208 14.733) 17.726 14.905 ( -10.251 4.378 -17.353) 20.625 15.284 ( 2.040 1.267 5.944) 6.411 15.534 ( 2.978 5.444 -14.956) 16.192 20.492 ( -0.520 -0.726 11.113) 11.149 20.720 ( -2.820 -1.443 -11.244) 11.681 21.319 ( 2.407 4.310 13.136) 14.033 21.634 ( 6.309 7.396 -17.830) 20.308 24.637 ( -0.775 2.287 10.482) 10.756 24.816 ( -0.404 1.554 -7.223) 7.399 ======================= Grid point 444 (135/155) ======================= q-point: ( 0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 3.968 -5.419 8.183) 10.587 1.704 ( -0.612 0.743 7.039) 7.104 1.786 ( 1.319 -4.625 -5.768) 7.510 1.883 ( -1.738 1.008 -5.749) 6.090 2.172 ( 2.815 0.742 3.738) 4.738 2.227 ( -1.387 4.137 -1.653) 4.666 2.347 ( -0.518 2.680 -1.683) 3.207 2.386 ( -2.074 3.259 -4.435) 5.882 3.001 ( 0.775 2.511 2.363) 3.534 3.027 ( 1.421 0.952 -1.546) 2.305 3.231 ( -1.129 0.887 -0.375) 1.484 3.290 ( -2.793 4.910 -5.352) 7.781 4.002 ( 6.082 -0.075 6.148) 8.649 4.090 ( 3.880 -1.877 -1.419) 4.538 4.340 ( 0.009 1.554 3.940) 4.235 4.423 ( 2.183 4.227 -3.828) 6.106 4.574 ( -0.567 -2.875 2.694) 3.980 4.641 ( 0.299 -3.732 -3.636) 5.219 5.338 ( 1.018 0.448 18.467) 18.501 5.612 ( -0.002 2.695 -7.786) 8.239 6.721 ( -6.265 -5.790 7.703) 11.493 6.866 ( -1.079 -2.151 -3.652) 4.374 7.083 ( -3.265 -4.209 4.063) 6.700 7.366 ( -0.496 0.869 -20.759) 20.783 8.021 ( -0.144 1.386 8.986) 9.093 8.212 ( 1.545 0.757 -7.540) 7.734 8.388 ( -0.035 3.915 2.847) 4.841 8.572 ( 1.295 5.305 -11.678) 12.892 10.201 ( 2.386 -16.833 11.309) 20.419 10.341 ( 3.448 -15.339 -1.645) 15.808 10.542 ( -2.255 -1.082 11.858) 12.119 10.691 ( -3.939 2.903 -1.957) 5.270 12.516 ( 2.259 -11.692 13.283) 17.839 12.694 ( 0.935 -10.797 -1.415) 10.929 12.794 ( -1.926 -1.408 10.697) 10.959 13.050 ( -2.030 2.131 -10.835) 11.228 13.900 ( 4.238 -6.211 22.227) 23.464 14.235 ( 4.589 1.885 -6.299) 8.018 14.351 ( -6.030 10.257 17.578) 21.227 14.782 ( -7.539 2.001 -23.808) 25.053 15.288 ( 0.924 -0.408 1.766) 2.034 15.458 ( 1.265 3.985 -12.115) 12.816 20.509 ( 0.058 -1.004 11.242) 11.286 20.740 ( -0.824 -1.707 -11.380) 11.537 21.263 ( 0.850 2.951 12.049) 12.434 21.544 ( 2.715 5.422 -15.419) 16.569 24.597 ( -0.421 1.485 10.757) 10.867 24.787 ( -0.199 1.263 -7.917) 8.020 ======================= Grid point 445 (136/155) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -2.590 4.051 9.682) 10.810 1.715 ( 2.588 -1.960 6.389) 7.167 1.828 ( -1.328 2.863 -7.214) 7.874 1.873 ( 0.987 -2.873 -6.892) 7.532 2.151 ( -1.367 2.455 3.394) 4.406 2.212 ( 3.361 -2.368 -1.071) 4.248 2.319 ( -0.761 0.013 -0.986) 1.245 2.360 ( -0.894 -1.750 -3.912) 4.378 2.987 ( 1.917 -0.183 2.138) 2.877 3.029 ( 3.334 0.364 -1.536) 3.689 3.214 ( -3.403 1.054 -3.095) 4.719 3.231 ( -2.330 -1.496 -3.286) 4.297 3.971 ( -0.633 4.657 5.735) 7.414 4.087 ( -1.097 3.267 -4.718) 5.843 4.349 ( 3.804 -0.791 2.978) 4.896 4.393 ( 5.039 0.822 -1.143) 5.231 4.588 ( -3.786 0.161 3.903) 5.440 4.654 ( -3.626 0.950 -2.396) 4.449 5.333 ( 0.173 0.761 17.942) 17.959 5.583 ( 0.395 -0.034 -6.169) 6.182 6.814 ( -0.291 -6.290 5.980) 8.684 6.904 ( 4.425 -1.182 -1.751) 4.903 7.118 ( -3.522 -1.201 2.849) 4.686 7.339 ( -2.123 0.519 -18.872) 18.998 8.023 ( 1.234 -0.825 8.990) 9.112 8.231 ( 2.670 -1.177 -11.001) 11.382 8.337 ( -1.278 1.389 3.066) 3.600 8.501 ( -1.079 1.906 -11.071) 11.286 10.377 ( -0.750 7.268 11.166) 13.344 10.433 ( 2.465 -4.006 9.423) 10.532 10.575 ( -3.816 4.567 2.463) 6.441 10.670 ( 1.889 -7.765 -3.305) 8.648 12.630 ( 0.891 3.420 16.309) 16.688 12.748 ( -0.086 -3.125 14.619) 14.950 12.899 ( 0.249 4.120 -8.414) 9.371 12.992 ( -0.645 -5.255 -7.913) 9.521 13.973 ( 1.226 5.815 14.771) 15.921 14.189 ( 1.194 -0.487 6.246) 6.378 14.254 ( -1.629 -3.276 13.143) 13.643 14.773 ( -1.815 -4.721 -27.355) 27.818 15.296 ( 0.583 0.532 0.045) 0.790 15.421 ( 0.395 0.444 -9.579) 9.597 20.518 ( -0.036 0.122 11.725) 11.725 20.763 ( 0.536 -0.791 -12.269) 12.306 21.230 ( -0.381 0.720 11.199) 11.229 21.484 ( -0.097 1.966 -13.527) 13.669 24.584 ( -0.040 -0.280 10.737) 10.741 24.775 ( 0.030 -0.159 -8.087) 8.088 ======================= Grid point 446 (137/155) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -2.657 7.340 11.826) 14.170 1.719 ( 0.671 3.734 -2.192) 4.382 1.753 ( -1.187 2.903 1.833) 3.633 1.920 ( 0.825 -1.103 -7.963) 8.081 2.125 ( -0.861 -0.128 4.137) 4.228 2.248 ( 0.023 0.017 -7.485) 7.485 2.365 ( 1.242 -4.954 3.171) 6.011 2.447 ( 1.680 -7.158 -4.031) 8.385 2.985 ( -0.616 1.939 3.816) 4.324 3.065 ( 4.067 -0.776 -2.575) 4.876 3.195 ( -3.752 -2.636 0.881) 4.669 3.297 ( -0.971 -8.072 -7.109) 10.800 3.889 ( -2.606 2.036 6.387) 7.192 4.031 ( -1.453 0.460 -6.387) 6.567 4.361 ( 2.990 2.671 5.505) 6.810 4.414 ( 2.205 1.448 1.951) 3.281 4.528 ( -3.326 2.876 0.293) 4.406 4.581 ( -4.342 3.697 -3.431) 6.656 5.319 ( -0.355 0.406 19.504) 19.511 5.612 ( -0.000 -2.393 -8.210) 8.552 6.898 ( 6.410 0.191 4.706) 7.954 6.968 ( 5.439 -1.751 -0.115) 5.715 7.078 ( -3.417 2.418 3.949) 5.755 7.314 ( -3.918 1.213 -18.813) 19.255 8.067 ( 2.997 -2.723 9.050) 9.915 8.268 ( 4.417 -0.105 -7.324) 8.554 8.338 ( -2.886 -3.567 -0.006) 4.588 8.502 ( -3.709 -3.626 -11.716) 12.813 10.150 ( -1.203 16.260 9.563) 18.902 10.278 ( -1.372 16.755 -3.190) 17.111 10.573 ( 0.420 -1.006 16.151) 16.187 10.773 ( 1.859 -2.236 -3.275) 4.379 12.480 ( -0.556 11.309 14.228) 18.184 12.691 ( 0.434 12.468 -6.215) 13.938 12.818 ( 0.160 -0.937 15.547) 15.576 13.092 ( 0.989 -1.914 -10.670) 10.885 13.836 ( -0.983 5.876 19.252) 20.152 14.168 ( -0.841 1.321 -9.824) 9.948 14.450 ( 1.605 -13.401 20.413) 24.471 14.906 ( 1.932 -8.877 -23.399) 25.101 15.273 ( -0.038 1.836 2.930) 3.458 15.442 ( -0.012 -2.185 -10.989) 11.204 20.508 ( -0.018 0.713 12.390) 12.411 20.776 ( 1.437 -0.196 -13.981) 14.056 21.233 ( -1.087 -1.443 10.817) 10.967 21.472 ( -2.092 -1.175 -12.519) 12.747 24.606 ( 0.199 -1.977 10.592) 10.777 24.793 ( 0.170 -1.540 -7.780) 7.933 ======================= Grid point 447 (138/155) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -1.849 9.089 12.725) 15.746 1.608 ( -0.618 7.284 -11.580) 13.694 1.712 ( -0.432 1.992 11.320) 11.502 1.916 ( 0.377 2.043 -8.406) 8.659 2.135 ( -0.771 -1.547 3.064) 3.518 2.249 ( -0.871 -1.266 -8.061) 8.206 2.475 ( 1.051 -5.695 4.912) 7.594 2.594 ( 2.350 -6.620 -5.616) 8.994 2.940 ( -2.412 0.798 4.925) 5.542 3.060 ( -0.106 1.485 -6.264) 6.438 3.300 ( 0.029 -9.176 8.880) 12.769 3.498 ( 1.889 -12.791 -8.806) 15.644 3.882 ( -0.757 -1.995 8.752) 9.008 4.054 ( 0.280 -2.540 -6.910) 7.367 4.276 ( -1.034 6.990 8.421) 10.993 4.361 ( -0.451 3.417 6.364) 7.237 4.444 ( -2.096 5.519 -5.433) 8.023 4.509 ( -0.879 1.870 -6.662) 6.975 5.313 ( -0.355 0.328 19.588) 19.594 5.647 ( -0.100 -1.158 -11.266) 11.326 6.889 ( 5.169 5.024 6.135) 9.466 6.966 ( 1.775 3.917 5.014) 6.605 7.035 ( 1.385 2.260 -4.595) 5.305 7.212 ( -5.709 7.044 -15.126) 17.635 8.152 ( 2.237 -3.981 6.545) 7.981 8.320 ( 5.240 -1.665 -4.632) 7.189 8.391 ( -4.906 -4.896 1.768) 7.153 8.590 ( -1.815 -8.199 -12.571) 15.118 9.808 ( -0.454 19.855 7.318) 21.166 9.923 ( -0.396 20.396 -4.474) 20.885 10.555 ( 0.223 2.941 19.144) 19.370 10.787 ( 0.729 1.138 -3.409) 3.667 12.258 ( -0.069 12.272 12.764) 17.707 12.467 ( 0.100 11.892 -7.186) 13.895 12.812 ( 0.164 1.780 13.859) 13.974 13.068 ( 0.358 4.533 -10.817) 11.734 13.765 ( -0.206 2.216 21.461) 21.577 14.155 ( -0.656 -0.179 -13.901) 13.918 14.683 ( 1.736 -10.711 18.178) 21.170 15.079 ( 2.718 -8.043 -19.570) 21.333 15.238 ( -1.065 1.605 8.091) 8.317 15.486 ( -0.508 -2.682 -13.665) 13.935 20.505 ( 0.273 -0.595 12.981) 12.998 20.797 ( 1.697 -1.203 -15.817) 15.954 21.264 ( -1.084 -2.699 10.544) 10.938 21.494 ( -2.632 -2.786 -11.933) 12.533 24.651 ( 0.203 -2.607 10.195) 10.525 24.825 ( 0.151 -1.679 -7.019) 7.219 ======================= Grid point 448 (139/155) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -0.000 9.409 11.877) 15.152 1.468 ( -0.000 7.589 -15.268) 17.051 1.672 ( -0.000 2.511 11.364) 11.638 1.848 ( -0.000 5.472 -5.732) 7.925 2.180 ( 0.000 -3.903 3.093) 4.980 2.286 ( 0.000 -2.747 -7.104) 7.617 2.570 ( 0.000 -4.562 5.321) 7.009 2.693 ( 0.000 -3.574 -5.742) 6.764 2.950 ( 0.000 -2.853 4.836) 5.615 3.053 ( 0.000 -0.966 -5.051) 5.143 3.475 ( 0.000 -9.249 13.925) 16.717 3.738 ( 0.000 -11.804 -9.377) 15.075 3.919 ( 0.000 -1.598 9.436) 9.571 4.085 ( 0.000 -0.026 -5.622) 5.622 4.140 ( -0.000 6.844 7.807) 10.382 4.320 ( -0.000 0.548 7.321) 7.341 4.331 ( -0.000 5.662 -8.860) 10.514 4.477 ( -0.000 1.563 -7.844) 7.998 5.286 ( -0.000 2.822 19.235) 19.441 5.648 ( -0.000 1.013 -14.125) 14.161 6.799 ( -0.000 5.597 6.213) 8.362 6.886 ( -0.000 7.241 4.175) 8.358 6.963 ( -0.000 6.538 -9.369) 11.424 7.039 ( -0.000 6.331 -10.018) 11.850 8.198 ( -0.000 1.042 1.937) 2.199 8.293 ( -0.000 5.220 -7.396) 9.052 8.526 ( 0.000 -10.303 10.150) 14.463 8.746 ( 0.000 -8.761 -11.201) 14.221 9.489 ( -0.000 14.002 6.347) 15.374 9.606 ( -0.000 13.243 -5.561) 14.363 10.491 ( -0.000 3.633 21.504) 21.809 10.754 ( -0.000 2.492 -3.650) 4.419 12.058 ( -0.000 9.748 12.208) 15.622 12.281 ( -0.000 8.556 -8.932) 12.369 12.768 ( -0.000 2.841 9.364) 9.786 12.959 ( -0.000 6.928 -9.234) 11.544 13.730 ( -0.000 1.966 22.401) 22.487 14.157 ( 0.000 -0.057 -17.786) 17.786 14.846 ( 0.000 -6.577 16.913) 18.147 15.206 ( -0.000 1.109 14.587) 14.629 15.213 ( 0.000 -5.320 -18.366) 19.121 15.526 ( 0.000 -1.860 -15.344) 15.456 20.538 ( 0.000 -2.808 13.289) 13.583 20.841 ( 0.000 -2.837 -16.717) 16.956 21.311 ( 0.000 -2.727 10.319) 10.673 21.536 ( 0.000 -2.888 -11.738) 12.088 24.695 ( 0.000 -2.148 9.195) 9.443 24.846 ( 0.000 -0.507 -5.764) 5.786 ======================= Grid point 451 (140/155) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 12.064 0.000 8.921) 15.004 1.393 ( 5.936 0.000 -10.523) 12.082 1.601 ( 2.984 0.000 6.013) 6.713 1.725 ( 0.423 0.000 -3.942) 3.964 2.324 ( 0.307 0.000 1.055) 1.099 2.360 ( 1.342 0.000 -2.284) 2.649 2.713 ( 4.530 0.000 3.801) 5.914 2.781 ( 2.916 0.000 -1.660) 3.355 3.090 ( 0.664 0.000 2.414) 2.504 3.120 ( 2.109 0.000 -0.036) 2.109 3.501 ( -14.819 -0.000 9.994) 17.874 3.609 ( -9.480 -0.000 3.547) 10.121 3.916 ( -5.139 -0.000 -2.089) 5.547 3.939 ( -3.047 -0.000 -8.753) 9.268 4.128 ( -3.573 -0.000 4.056) 5.405 4.223 ( -0.566 -0.000 -4.748) 4.782 4.392 ( 6.962 0.000 1.100) 7.049 4.478 ( 2.642 0.000 -5.685) 6.269 5.203 ( 1.746 0.000 18.265) 18.348 5.542 ( -2.576 -0.000 -14.651) 14.876 6.667 ( 0.020 0.000 8.804) 8.804 6.830 ( 2.030 0.000 -6.988) 7.277 6.879 ( 6.816 0.000 5.560) 8.796 7.111 ( 11.989 0.000 -15.951) 19.954 7.968 ( 1.339 0.000 4.927) 5.106 8.091 ( -6.009 -0.000 -8.060) 10.053 8.791 ( -1.967 -0.000 10.073) 10.263 8.958 ( 2.038 0.000 -5.906) 6.248 9.246 ( -2.132 -0.000 4.066) 4.591 9.337 ( -6.850 -0.000 -4.734) 8.327 10.421 ( 0.087 0.000 22.899) 22.899 10.695 ( 0.438 0.000 -3.182) 3.212 11.874 ( 0.321 0.000 13.268) 13.272 12.142 ( 0.970 0.000 -12.767) 12.804 12.735 ( 1.528 0.000 0.355) 1.569 12.781 ( -0.296 -0.000 -5.512) 5.519 13.673 ( -0.203 -0.000 26.182) 26.182 14.176 ( 2.806 0.000 -23.145) 23.315 14.664 ( -16.033 -0.000 22.552) 27.670 15.088 ( -14.053 -0.000 -19.141) 23.746 15.370 ( 8.522 0.000 13.351) 15.839 15.674 ( 6.839 0.000 -15.196) 16.664 20.548 ( -4.441 -0.000 9.905) 10.855 20.742 ( -8.429 -0.000 -8.619) 12.056 21.465 ( 5.713 0.000 15.692) 16.700 21.861 ( 14.153 0.000 -23.658) 27.569 24.721 ( -1.331 -0.000 7.619) 7.734 24.836 ( 0.023 0.000 -3.754) 3.754 ======================= Grid point 452 (141/155) ======================= q-point: ( 0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 10.730 -3.361 8.180) 13.905 1.464 ( 5.694 -3.401 -8.454) 10.745 1.662 ( 1.899 -3.775 5.020) 6.562 1.749 ( -0.325 -2.488 -1.452) 2.899 2.293 ( 1.627 2.779 2.372) 3.999 2.367 ( 0.489 0.532 -3.839) 3.906 2.692 ( 4.430 6.129 2.694) 8.028 2.740 ( 1.711 5.858 -0.974) 6.180 3.087 ( 1.401 0.665 1.794) 2.372 3.120 ( 2.708 1.598 -1.132) 3.342 3.405 ( -9.797 1.114 6.597) 11.864 3.519 ( -12.195 1.601 -0.687) 12.319 3.882 ( -1.504 -1.335 2.414) 3.142 3.993 ( -2.633 -3.559 -6.311) 7.709 4.149 ( -4.314 -5.318 4.465) 8.175 4.252 ( -5.364 -5.336 -4.903) 9.016 4.415 ( 9.299 2.014 2.386) 9.810 4.534 ( 5.471 -2.822 -6.706) 9.103 5.249 ( 1.726 -3.352 17.115) 17.525 5.564 ( -2.395 -3.681 -13.544) 14.238 6.647 ( -1.517 1.220 6.928) 7.196 6.795 ( 1.078 3.458 -5.777) 6.818 6.946 ( 1.768 -2.453 8.113) 8.658 7.233 ( 12.162 -3.619 -15.556) 20.075 8.079 ( -0.728 -5.580 -0.016) 5.627 8.132 ( 2.825 -10.290 -4.260) 11.490 8.677 ( -4.439 8.702 11.693) 15.237 8.895 ( -0.948 7.091 -9.311) 11.742 9.291 ( -1.765 -6.319 3.067) 7.243 9.349 ( -5.121 -6.619 -2.409) 8.708 10.442 ( 0.216 -2.131 22.366) 22.469 10.708 ( -0.011 -0.989 -3.104) 3.258 11.921 ( 0.028 -5.025 13.282) 14.201 12.181 ( 0.828 -3.792 -11.908) 12.525 12.742 ( 0.819 -0.681 2.375) 2.603 12.843 ( 0.247 -5.532 -7.347) 9.201 13.692 ( 0.175 -1.977 27.981) 28.051 14.204 ( 4.142 -0.644 -21.290) 21.699 14.578 ( -14.737 -1.576 20.317) 25.148 14.992 ( -14.598 0.391 -19.198) 24.121 15.395 ( 6.978 2.899 12.393) 14.515 15.696 ( 6.254 2.443 -15.476) 16.869 20.508 ( -3.400 1.216 9.658) 10.311 20.694 ( -6.425 -0.151 -8.186) 10.408 21.473 ( 4.938 2.984 16.838) 17.799 21.899 ( 12.032 5.211 -25.451) 28.630 24.702 ( -1.306 1.045 8.804) 8.961 24.840 ( -0.181 -0.216 -4.766) 4.775 ======================= Grid point 453 (142/155) ======================= q-point: ( 0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 8.356 -4.974 7.891) 12.523 1.575 ( 4.296 -5.038 -6.915) 9.573 1.714 ( 0.232 -1.166 7.297) 7.393 1.812 ( -1.378 -4.507 -0.999) 4.818 2.261 ( 3.244 2.624 2.214) 4.723 2.345 ( 0.431 2.108 -4.872) 5.326 2.552 ( -1.290 9.033 2.922) 9.581 2.625 ( 2.054 8.271 -3.852) 9.352 3.072 ( 0.468 1.844 0.593) 1.993 3.101 ( 2.426 2.379 -1.430) 3.687 3.327 ( -5.369 2.536 4.906) 7.703 3.444 ( -7.084 0.404 -3.922) 8.107 3.917 ( 1.542 -2.543 5.888) 6.596 4.021 ( 1.083 -1.385 -2.789) 3.297 4.256 ( -4.611 -8.592 2.692) 10.116 4.330 ( -4.331 -6.183 -4.074) 8.578 4.463 ( 7.341 -1.149 4.656) 8.769 4.620 ( 8.051 -1.071 -8.332) 11.636 5.319 ( 1.250 -2.685 17.112) 17.367 5.618 ( -1.557 -3.171 -11.910) 12.423 6.611 ( -5.297 0.302 6.092) 8.078 6.760 ( 0.060 0.024 -4.432) 4.433 6.977 ( -2.739 -1.584 8.886) 9.433 7.345 ( 5.935 -1.717 -20.462) 21.374 8.143 ( 1.958 -0.557 8.209) 8.457 8.310 ( 5.038 0.169 -3.258) 6.002 8.525 ( -2.607 2.816 5.340) 6.576 8.745 ( -2.617 6.054 -12.113) 13.792 9.481 ( -0.961 -16.768 4.305) 17.338 9.540 ( -2.423 -18.165 -1.481) 18.386 10.488 ( -0.242 -2.570 19.764) 19.931 10.720 ( -1.262 -0.483 -2.563) 2.897 12.055 ( -0.087 -9.963 12.891) 16.292 12.291 ( 0.663 -8.025 -9.885) 12.750 12.768 ( -0.098 -1.541 7.169) 7.334 12.952 ( -0.184 -5.857 -9.914) 11.516 13.743 ( 1.292 -3.169 29.762) 29.958 14.247 ( 5.433 -0.593 -14.660) 15.646 14.529 ( -10.720 -1.478 12.570) 16.586 14.886 ( -13.475 1.643 -18.049) 22.584 15.359 ( 4.167 4.583 11.031) 12.651 15.660 ( 4.609 5.338 -16.136) 17.610 20.479 ( -1.555 0.022 9.953) 10.074 20.673 ( -3.748 -1.326 -8.996) 9.835 21.425 ( 3.323 5.021 16.384) 17.455 21.833 ( 8.274 8.887 -24.006) 26.902 24.669 ( -1.063 1.802 10.126) 10.340 24.835 ( -0.360 0.683 -6.250) 6.297 ======================= Grid point 454 (143/155) ======================= q-point: ( 0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 5.763 -5.270 7.471) 10.807 1.687 ( 2.591 -4.114 -3.927) 6.249 1.725 ( -0.751 -1.134 6.721) 6.858 1.863 ( -1.890 -2.044 -2.969) 4.070 2.231 ( 3.439 3.113 2.895) 5.468 2.298 ( 0.239 3.645 -3.564) 5.103 2.399 ( -3.327 5.370 1.053) 6.404 2.483 ( 0.711 7.822 -5.898) 9.823 3.043 ( 0.265 1.215 1.552) 1.988 3.067 ( 2.288 2.868 0.350) 3.685 3.249 ( -3.966 2.525 2.116) 5.156 3.366 ( -4.268 4.585 -7.043) 9.426 4.009 ( 7.246 -4.206 6.142) 10.389 4.086 ( 6.572 -2.544 -0.286) 7.053 4.336 ( -4.558 -2.505 4.775) 7.061 4.408 ( -4.676 -5.202 -3.584) 7.860 4.526 ( 2.379 -1.990 2.991) 4.309 4.656 ( 7.458 2.439 -8.358) 11.464 5.351 ( 1.001 -0.214 18.072) 18.101 5.641 ( -0.626 0.101 -9.911) 9.931 6.590 ( -6.334 -2.961 8.809) 11.247 6.794 ( -0.807 -3.670 -6.588) 7.585 6.988 ( -4.653 -2.872 7.979) 9.673 7.375 ( 0.761 0.298 -23.362) 23.377 8.087 ( 0.984 5.697 10.205) 11.729 8.277 ( 4.450 3.879 -2.147) 6.282 8.457 ( -2.393 4.017 1.825) 5.019 8.668 ( 0.419 3.766 -12.448) 13.012 9.848 ( 0.790 -22.266 8.195) 23.740 9.960 ( 1.067 -26.402 -2.991) 26.592 10.517 ( -1.438 -1.012 16.120) 16.216 10.704 ( -2.422 1.070 -1.908) 3.263 12.279 ( 0.832 -14.359 12.070) 18.776 12.477 ( 0.853 -11.917 -7.110) 13.903 12.781 ( -1.241 -0.172 12.007) 12.072 13.030 ( -1.009 -2.827 -11.411) 11.799 13.826 ( 3.056 -4.734 29.830) 30.358 14.289 ( 5.604 0.262 -5.276) 7.701 14.462 ( -5.476 4.324 5.821) 9.086 14.761 ( -12.023 2.680 -18.469) 22.200 15.308 ( 1.644 2.464 6.826) 7.441 15.571 ( 2.599 6.706 -15.708) 17.277 20.487 ( -0.294 -1.318 10.319) 10.407 20.693 ( -1.542 -2.503 -9.912) 10.339 21.346 ( 1.622 5.204 14.813) 15.784 21.704 ( 4.437 9.409 -20.456) 22.949 24.627 ( -0.689 2.063 10.808) 11.025 24.812 ( -0.282 1.485 -7.402) 7.555 ======================= Grid point 455 (144/155) ======================= q-point: ( 0.60 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 2.518 -2.721 8.060) 8.871 1.696 ( -0.632 0.356 7.540) 7.575 1.803 ( 1.270 -4.588 -6.829) 8.325 1.862 ( -1.517 0.727 -5.285) 5.546 2.199 ( 0.143 2.876 2.427) 3.766 2.226 ( 2.516 2.605 2.154) 4.213 2.326 ( -2.731 1.478 -2.841) 4.209 2.374 ( -0.152 4.076 -5.043) 6.486 3.025 ( 2.111 1.999 4.568) 5.415 3.046 ( 2.047 0.300 0.918) 2.263 3.201 ( -3.804 0.090 -3.159) 4.946 3.250 ( -2.310 4.896 -7.446) 9.206 4.081 ( 5.492 4.477 5.539) 8.994 4.141 ( 3.770 1.105 0.508) 3.962 4.341 ( -0.149 -2.620 5.390) 5.995 4.442 ( 1.192 -0.519 -3.698) 3.920 4.549 ( -3.151 -0.778 2.311) 3.985 4.644 ( 0.425 1.606 -6.845) 7.043 5.349 ( 0.687 0.742 18.311) 18.339 5.613 ( 0.101 2.316 -7.149) 7.515 6.657 ( -3.604 -7.982 10.461) 13.643 6.873 ( 1.963 -4.582 -7.302) 8.842 7.028 ( -4.887 -4.543 5.127) 8.415 7.354 ( -1.025 1.747 -22.238) 22.330 8.025 ( 0.440 1.218 9.952) 10.036 8.249 ( 3.667 1.667 -9.214) 10.056 8.374 ( -2.000 3.406 5.037) 6.401 8.581 ( 0.304 5.807 -11.731) 13.093 10.228 ( 1.678 -17.707 12.621) 21.809 10.389 ( 3.908 -15.484 -1.498) 16.040 10.507 ( -3.195 -1.406 10.230) 10.809 10.646 ( -2.844 3.718 -1.698) 4.980 12.545 ( 2.044 -12.741 12.665) 18.081 12.711 ( 1.647 -8.885 1.809) 9.216 12.765 ( -2.459 -3.206 7.989) 8.952 13.026 ( -1.451 2.664 -11.207) 11.610 13.961 ( 4.898 -7.414 25.929) 27.410 14.258 ( -5.142 7.769 13.365) 16.292 14.313 ( 4.271 7.023 -1.924) 8.442 14.683 ( -7.243 -2.055 -26.580) 27.626 15.298 ( 0.639 -0.198 1.704) 1.831 15.474 ( 1.031 4.821 -12.740) 13.660 20.510 ( 0.031 -1.054 10.992) 11.043 20.734 ( -0.185 -2.419 -11.107) 11.369 21.270 ( 0.339 3.654 12.994) 13.502 21.571 ( 1.531 6.995 -16.543) 18.026 24.593 ( -0.288 1.256 10.931) 11.007 24.785 ( -0.102 1.147 -8.016) 8.099 ======================= Grid point 456 (145/155) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -1.017 4.739 10.899) 11.928 1.740 ( 1.148 -1.564 5.978) 6.285 1.814 ( -0.762 3.468 -7.997) 8.750 1.883 ( 0.413 -3.259 -7.190) 7.905 2.139 ( -0.463 2.226 4.973) 5.468 2.256 ( 3.356 -0.823 -3.682) 5.050 2.300 ( -2.227 -1.728 -0.178) 2.825 2.350 ( -0.427 -2.300 -2.927) 3.747 3.022 ( 2.649 0.820 4.650) 5.414 3.066 ( 1.988 -1.475 1.472) 2.880 3.165 ( -3.414 1.248 -4.820) 6.037 3.202 ( -1.442 -1.034 -7.404) 7.613 3.961 ( -0.624 7.212 5.325) 8.986 4.075 ( -0.568 5.465 -4.771) 7.277 4.418 ( 6.219 -1.092 4.564) 7.791 4.462 ( 4.185 0.845 1.735) 4.608 4.526 ( -4.806 0.021 1.567) 5.055 4.595 ( -4.700 2.135 -4.628) 6.933 5.335 ( 0.117 1.180 18.480) 18.518 5.587 ( 0.241 0.042 -5.966) 5.971 6.813 ( 0.058 -9.701 9.253) 13.406 6.972 ( 5.676 -2.992 -3.939) 7.529 7.059 ( -5.309 -1.737 2.199) 6.003 7.314 ( -1.320 1.377 -20.225) 20.315 8.038 ( 0.796 -1.870 9.782) 9.991 8.270 ( 2.807 -1.495 -10.921) 11.375 8.315 ( -1.912 1.612 3.075) 3.964 8.487 ( -0.776 3.716 -11.028) 11.663 10.370 ( -0.270 8.836 11.181) 14.254 10.471 ( 3.215 -4.605 10.688) 12.074 10.524 ( -3.764 5.015 2.158) 6.632 10.687 ( 0.689 -9.145 -4.349) 10.150 12.642 ( 0.624 6.485 16.318) 17.571 12.746 ( -0.157 -6.370 15.664) 16.911 12.903 ( 0.264 8.588 -9.325) 12.680 12.984 ( -0.480 -10.060 -8.080) 12.912 13.989 ( 0.884 10.970 14.936) 18.553 14.204 ( 0.869 -8.350 17.933) 19.801 14.233 ( -1.215 1.042 1.641) 2.293 14.751 ( -1.146 -7.838 -27.253) 28.381 15.302 ( 0.337 0.707 -0.286) 0.834 15.426 ( 0.243 0.725 -9.641) 9.671 20.518 ( -0.020 0.191 11.906) 11.907 20.769 ( 0.335 -1.313 -12.884) 12.955 21.226 ( -0.241 1.202 11.633) 11.697 21.483 ( -0.060 3.184 -13.569) 13.938 24.584 ( -0.025 -0.454 10.798) 10.807 24.776 ( 0.019 -0.256 -8.111) 8.115 ======================= Grid point 457 (146/155) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -0.000 7.598 12.627) 14.736 1.725 ( -0.000 5.809 -9.601) 11.222 1.743 ( -0.000 1.310 8.872) 8.968 1.925 ( 0.000 -1.039 -8.470) 8.533 2.119 ( 0.000 -0.019 4.161) 4.161 2.248 ( -0.000 1.025 -8.091) 8.155 2.375 ( 0.000 -5.516 3.723) 6.655 2.458 ( 0.000 -8.396 -3.841) 9.233 2.981 ( -0.000 3.706 5.339) 6.499 3.109 ( -0.000 3.117 -6.300) 7.029 3.154 ( 0.000 -6.390 3.893) 7.482 3.291 ( 0.000 -9.389 -8.077) 12.385 3.872 ( -0.000 1.989 6.409) 6.711 4.020 ( 0.000 -0.153 -7.143) 7.145 4.403 ( -0.000 6.029 7.303) 9.470 4.419 ( -0.000 3.097 6.467) 7.170 4.510 ( -0.000 1.822 -3.143) 3.633 4.537 ( -0.000 1.867 -5.511) 5.819 5.316 ( -0.000 0.589 19.678) 19.687 5.612 ( 0.000 -2.218 -8.186) 8.481 6.951 ( 0.000 -3.048 5.962) 6.696 7.017 ( -0.000 2.340 5.226) 5.726 7.036 ( 0.000 -1.138 -1.707) 2.052 7.282 ( -0.000 2.441 -19.485) 19.637 8.091 ( 0.000 -3.393 9.473) 10.062 8.299 ( 0.000 -1.099 4.323) 4.461 8.322 ( 0.000 -2.333 -12.390) 12.608 8.471 ( 0.000 -3.109 -11.675) 12.081 10.142 ( -0.000 16.273 9.341) 18.763 10.269 ( -0.000 17.006 -3.436) 17.350 10.576 ( 0.000 -1.341 16.842) 16.895 10.785 ( 0.000 -2.178 -3.568) 4.181 12.477 ( -0.000 11.342 14.367) 18.304 12.695 ( -0.000 12.913 -7.343) 14.854 12.819 ( 0.000 -1.508 16.783) 16.851 13.099 ( 0.000 -1.955 -10.703) 10.880 13.830 ( -0.000 5.878 18.982) 19.872 14.164 ( -0.000 1.849 -10.273) 10.438 14.460 ( 0.000 -14.051 20.609) 24.943 14.917 ( 0.000 -10.083 -23.405) 25.485 15.274 ( -0.000 2.220 3.143) 3.847 15.442 ( 0.000 -1.972 -10.847) 11.025 20.508 ( -0.000 0.634 12.668) 12.684 20.786 ( 0.000 -0.628 -14.827) 14.840 21.225 ( 0.000 -1.165 10.824) 10.887 21.457 ( 0.000 -0.310 -11.941) 11.945 24.607 ( 0.000 -2.058 10.594) 10.792 24.794 ( 0.000 -1.589 -7.768) 7.928 ======================= Grid point 462 (147/155) ======================= q-point: ( 0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 10.069 0.000 7.100) 12.321 1.473 ( 6.349 0.000 -5.922) 8.682 1.631 ( 1.526 0.000 3.775) 4.072 1.730 ( 0.329 0.000 -2.879) 2.898 2.332 ( 1.096 0.000 1.545) 1.894 2.365 ( -0.203 -0.000 -0.620) 0.652 2.795 ( 7.503 0.000 1.363) 7.626 2.825 ( 3.527 0.000 -0.321) 3.542 3.097 ( 0.684 0.000 3.582) 3.647 3.146 ( 1.645 0.000 0.099) 1.648 3.330 ( -11.263 -0.000 6.723) 13.117 3.458 ( -12.998 -0.000 -3.477) 13.455 3.854 ( -4.253 -0.000 1.191) 4.416 3.938 ( 2.167 0.000 -8.334) 8.611 4.076 ( -4.409 -0.000 3.545) 5.657 4.147 ( -8.774 -0.000 -4.222) 9.737 4.505 ( 1.623 0.000 -0.983) 1.897 4.519 ( 10.472 0.000 -2.618) 10.794 5.229 ( 2.145 0.000 15.593) 15.740 5.509 ( -2.498 -0.000 -12.334) 12.584 6.672 ( 0.752 0.000 7.714) 7.750 6.840 ( 0.003 0.000 -8.741) 8.741 6.935 ( 1.533 0.000 13.590) 13.676 7.284 ( 13.766 0.000 -17.442) 22.220 8.025 ( 7.654 0.000 -0.503) 7.670 8.031 ( -2.601 -0.000 -3.409) 4.288 8.731 ( -7.513 -0.000 12.894) 14.923 8.962 ( -2.122 -0.000 -9.159) 9.402 9.229 ( -0.543 -0.000 1.509) 1.604 9.252 ( -5.561 -0.000 -1.145) 5.678 10.422 ( 0.208 0.000 23.537) 23.538 10.702 ( 0.554 0.000 -3.240) 3.287 11.877 ( 0.182 0.000 13.898) 13.899 12.154 ( 0.882 0.000 -13.041) 13.071 12.758 ( 1.890 0.000 -2.079) 2.810 12.778 ( -0.242 -0.000 -5.253) 5.259 13.673 ( 0.205 0.000 30.587) 30.587 14.229 ( 5.637 0.000 -24.171) 24.819 14.463 ( -14.733 -0.000 22.260) 26.694 14.894 ( -15.985 -0.000 -19.986) 25.592 15.469 ( 6.797 0.000 11.742) 13.568 15.758 ( 6.043 0.000 -15.091) 16.256 20.497 ( -3.423 -0.000 8.492) 9.156 20.652 ( -5.586 -0.000 -6.189) 8.337 21.533 ( 4.602 0.000 19.160) 19.705 22.024 ( 10.954 0.000 -29.590) 31.553 24.703 ( -1.429 -0.000 8.798) 8.913 24.836 ( 0.001 0.000 -4.376) 4.376 ======================= Grid point 463 (148/155) ======================= q-point: ( 0.40 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 7.984 -2.761 6.404) 10.601 1.536 ( 5.408 -2.591 -5.195) 7.934 1.673 ( -0.352 -3.147 3.854) 4.989 1.746 ( -0.070 -1.767 -0.509) 1.840 2.316 ( 1.799 1.834 2.017) 3.266 2.368 ( -0.026 0.347 -1.829) 1.862 2.733 ( 1.559 9.940 3.445) 10.635 2.786 ( 4.791 6.268 -2.104) 8.165 3.099 ( 0.986 0.667 3.042) 3.267 3.154 ( 2.532 1.052 -1.705) 3.229 3.297 ( -6.997 -1.772 3.014) 7.822 3.373 ( -10.248 -0.495 -2.724) 10.615 3.865 ( -1.106 -3.285 4.201) 5.447 3.986 ( 1.079 -2.670 -7.176) 7.732 4.086 ( -5.132 -5.151 2.826) 7.801 4.168 ( -6.736 -7.099 -5.270) 11.115 4.501 ( 4.029 0.618 3.886) 5.631 4.621 ( 7.409 -3.393 -6.530) 10.443 5.271 ( 1.599 -2.926 14.929) 15.297 5.534 ( -2.161 -3.957 -11.424) 12.282 6.634 ( -0.555 3.699 7.121) 8.044 6.808 ( 1.133 3.032 -6.739) 7.476 6.943 ( -1.951 -0.566 14.178) 14.322 7.372 ( 8.851 -0.521 -21.488) 23.245 8.080 ( 2.422 -5.910 5.554) 8.464 8.226 ( 10.135 -12.771 -6.538) 17.566 8.593 ( -8.442 7.704 13.203) 17.462 8.855 ( -5.421 8.006 -11.975) 15.390 9.260 ( -2.864 -5.933 3.214) 7.331 9.306 ( -1.399 -7.507 -0.948) 7.695 10.445 ( 0.201 -2.067 22.504) 22.599 10.709 ( 0.071 -0.301 -2.944) 2.960 11.921 ( -0.095 -4.800 13.937) 14.741 12.191 ( 0.682 -3.687 -12.356) 12.912 12.751 ( 0.616 -0.186 0.882) 1.092 12.848 ( 0.521 -5.356 -7.923) 9.578 13.698 ( 0.700 -2.342 33.267) 33.356 14.272 ( 5.874 -0.374 -17.675) 18.629 14.410 ( -10.396 -3.240 13.473) 17.324 14.799 ( -15.165 -0.565 -19.572) 24.766 15.472 ( 4.903 3.867 11.733) 13.291 15.767 ( 4.673 2.955 -15.535) 16.489 20.472 ( -2.169 0.463 8.594) 8.876 20.629 ( -3.691 -0.861 -6.461) 7.491 21.526 ( 3.335 3.457 19.631) 20.210 22.028 ( 7.984 6.200 -30.065) 31.719 24.686 ( -1.153 0.896 9.747) 9.856 24.838 ( -0.130 -0.039 -5.226) 5.228 ======================= Grid point 464 (149/155) ======================= q-point: ( 0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 5.620 -4.194 5.881) 9.152 1.627 ( 3.642 -4.017 -4.825) 7.258 1.705 ( -1.611 -1.169 6.947) 7.226 1.797 ( -0.839 -3.637 -0.061) 3.733 2.298 ( 2.201 1.790 0.647) 2.910 2.345 ( -0.005 1.997 -3.538) 4.063 2.537 ( -0.909 11.000 5.863) 12.498 2.656 ( 2.133 9.784 -5.786) 11.565 3.077 ( 0.645 2.168 2.868) 3.652 3.135 ( 3.249 2.690 -1.480) 4.470 3.257 ( -5.433 1.428 2.636) 6.205 3.363 ( -5.572 -1.626 -5.302) 7.861 3.953 ( 3.960 -5.846 5.482) 8.939 4.059 ( 4.353 -4.368 -2.861) 6.798 4.185 ( -5.928 -8.394 0.897) 10.315 4.263 ( -5.752 -6.576 -4.689) 9.915 4.533 ( 3.660 -0.879 6.975) 7.926 4.715 ( 5.915 -1.456 -9.187) 11.023 5.332 ( 0.748 -2.464 15.895) 16.103 5.599 ( -1.287 -3.811 -10.586) 11.325 6.559 ( -2.862 2.683 8.219) 9.107 6.773 ( 1.726 1.293 -8.944) 9.200 6.931 ( -3.845 -0.535 14.492) 15.003 7.398 ( 2.553 1.290 -24.988) 25.151 8.198 ( 6.307 0.853 12.199) 13.760 8.358 ( -0.158 3.274 9.643) 10.185 8.508 ( 1.991 0.939 -8.024) 8.321 8.692 ( -5.483 1.913 -13.355) 14.563 9.464 ( -1.448 -19.085 4.620) 19.690 9.519 ( -0.935 -18.539 -0.492) 18.569 10.485 ( -0.228 -1.991 19.201) 19.306 10.706 ( -0.781 0.447 -2.193) 2.370 12.054 ( -0.071 -10.250 13.363) 16.841 12.300 ( 0.540 -8.046 -10.459) 13.207 12.766 ( -0.123 -0.885 6.444) 6.506 12.950 ( -0.045 -5.289 -10.422) 11.688 13.762 ( 1.510 -3.984 34.930) 35.189 14.309 ( 2.157 -0.934 3.132) 3.916 14.438 ( -0.876 -3.066 -9.936) 10.436 14.713 ( -13.166 0.557 -17.699) 22.066 15.402 ( 2.434 5.873 11.417) 13.068 15.708 ( 2.744 6.097 -16.452) 17.759 20.464 ( -0.769 -0.714 9.201) 9.261 20.639 ( -1.759 -2.137 -7.845) 8.319 21.458 ( 1.797 5.654 18.248) 19.188 21.915 ( 4.476 10.198 -26.939) 29.150 24.657 ( -0.712 1.641 10.674) 10.823 24.831 ( -0.195 0.742 -6.509) 6.554 ======================= Grid point 465 (150/155) ======================= q-point: ( 0.60 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 2.969 -4.377 5.362) 7.532 1.700 ( -0.758 0.007 9.631) 9.661 1.725 ( 0.973 -4.406 -5.684) 7.257 1.843 ( -1.044 -1.900 -1.782) 2.806 2.265 ( 1.362 3.528 0.121) 3.784 2.308 ( 1.503 2.601 -3.156) 4.357 2.358 ( -2.750 6.612 4.707) 8.569 2.493 ( 0.491 8.601 -6.752) 10.946 3.044 ( -0.013 1.393 4.825) 5.022 3.115 ( 5.070 2.658 0.975) 5.807 3.187 ( -5.597 1.872 -0.109) 5.903 3.320 ( -2.216 3.344 -8.897) 9.760 4.116 ( 8.916 -6.294 5.910) 12.411 4.173 ( 4.966 -3.046 2.554) 6.361 4.256 ( -6.403 -1.839 2.505) 7.117 4.334 ( -5.801 -7.908 -6.097) 11.548 4.551 ( 1.123 1.050 5.766) 5.967 4.727 ( 3.108 3.401 -9.963) 10.977 5.360 ( 0.357 -0.282 17.523) 17.529 5.634 ( -0.344 -0.393 -9.197) 9.211 6.534 ( -2.299 -2.599 10.339) 10.906 6.797 ( 0.737 -3.326 -13.431) 13.857 6.934 ( -2.910 -2.618 14.383) 14.906 7.379 ( 0.080 1.475 -24.883) 24.927 8.100 ( 0.726 6.952 11.260) 13.253 8.343 ( 5.452 4.663 -3.603) 8.028 8.412 ( -4.495 3.048 3.494) 6.458 8.670 ( -0.051 2.849 -12.841) 13.153 9.854 ( 0.237 -23.096 8.622) 24.654 9.971 ( 0.476 -28.318 -2.841) 28.464 10.503 ( -0.667 -0.159 15.542) 15.557 10.681 ( -0.962 1.759 -1.638) 2.589 12.287 ( 0.363 -15.100 12.002) 19.292 12.486 ( 0.467 -12.221 -7.509) 14.352 12.769 ( -0.582 0.571 12.073) 12.101 13.021 ( -0.392 -2.339 -11.650) 11.889 13.859 ( 1.727 -5.804 33.988) 34.524 14.317 ( -0.925 1.394 12.482) 12.593 14.472 ( 7.375 3.546 -12.985) 15.348 14.608 ( -11.515 0.734 -21.294) 24.219 15.323 ( 0.636 3.180 7.437) 8.114 15.595 ( 1.008 7.342 -16.135) 17.756 20.484 ( -0.088 -1.614 9.941) 10.071 20.680 ( -0.451 -3.072 -9.393) 9.893 21.360 ( 0.554 5.731 15.827) 16.841 21.743 ( 1.570 10.477 -21.886) 24.315 24.621 ( -0.278 1.915 11.069) 11.237 24.809 ( -0.097 1.446 -7.534) 7.672 ======================= Grid point 466 (151/155) ======================= q-point: ( 0.70 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -0.000 2.271 10.611) 10.851 1.691 ( 0.000 -3.907 4.932) 6.292 1.813 ( 0.000 -4.543 -7.140) 8.463 1.850 ( -0.000 0.761 -5.079) 5.136 2.196 ( -0.000 4.016 2.486) 4.723 2.258 ( -0.000 1.504 5.932) 6.120 2.296 ( -0.000 1.233 -6.090) 6.213 2.374 ( -0.000 4.416 -5.198) 6.821 3.035 ( 0.000 -0.245 5.949) 5.954 3.077 ( -0.000 2.701 4.688) 5.410 3.159 ( 0.000 -0.442 -5.993) 6.009 3.238 ( -0.000 4.263 -9.912) 10.790 4.118 ( -0.000 8.855 5.374) 10.358 4.172 ( -0.000 3.612 0.713) 3.682 4.335 ( 0.000 -8.588 6.839) 10.979 4.459 ( 0.000 -5.797 -5.221) 7.802 4.516 ( -0.000 2.531 4.035) 4.763 4.648 ( -0.000 5.244 -8.950) 10.373 5.354 ( -0.000 0.831 18.380) 18.398 5.613 ( -0.000 2.075 -6.815) 7.123 6.633 ( 0.000 -8.815 11.567) 14.543 6.896 ( 0.000 -6.453 -13.126) 14.627 6.986 ( 0.000 -3.766 9.947) 10.636 7.347 ( -0.000 2.170 -22.865) 22.968 8.028 ( -0.000 1.202 10.486) 10.554 8.281 ( -0.000 2.196 -14.246) 14.414 8.353 ( -0.000 2.981 10.118) 10.548 8.583 ( -0.000 5.981 -11.763) 13.196 10.239 ( 0.000 -18.229 13.306) 22.569 10.425 ( 0.000 -20.364 -4.885) 20.942 10.475 ( -0.000 3.220 12.947) 13.341 10.626 ( -0.000 4.250 -1.687) 4.573 12.560 ( 0.000 -13.616 12.324) 18.365 12.734 ( -0.000 3.204 15.901) 16.221 12.736 ( 0.000 -14.918 -5.711) 15.974 13.016 ( -0.000 3.002 -11.432) 11.820 14.000 ( 0.000 -9.405 29.831) 31.279 14.212 ( -0.000 10.348 11.126) 15.194 14.353 ( -0.000 8.611 0.479) 8.625 14.628 ( 0.000 -5.138 -30.301) 30.734 15.302 ( 0.000 -0.149 1.758) 1.765 15.481 ( -0.000 5.110 -12.987) 13.956 20.510 ( 0.000 -1.063 10.938) 10.990 20.733 ( 0.000 -2.686 -11.120) 11.439 21.272 ( -0.000 3.933 13.403) 13.968 21.581 ( -0.000 7.558 -16.956) 18.564 24.591 ( -0.000 1.167 11.015) 11.076 24.784 ( -0.000 1.104 -8.060) 8.135 ======================= Grid point 474 (152/155) ======================= q-point: ( 0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 5.720 0.000 5.750) 8.110 1.547 ( 5.070 0.000 -4.355) 6.684 1.637 ( -0.669 -0.000 3.528) 3.591 1.732 ( -0.134 -0.000 -2.014) 2.019 2.350 ( 1.499 0.000 1.478) 2.105 2.363 ( -0.013 -0.000 1.577) 1.577 2.860 ( 1.794 0.000 1.075) 2.092 2.879 ( 4.783 0.000 -1.129) 4.914 3.115 ( 2.414 0.000 3.890) 4.578 3.142 ( -2.773 -0.000 3.713) 4.635 3.244 ( -1.733 -0.000 -0.818) 1.916 3.305 ( -10.297 -0.000 -4.808) 11.364 3.817 ( -1.340 -0.000 4.903) 5.083 3.973 ( 2.642 0.000 -10.190) 10.527 4.025 ( -3.252 -0.000 0.035) 3.252 4.035 ( -7.908 -0.000 -3.400) 8.608 4.520 ( 0.681 0.000 4.367) 4.420 4.631 ( 6.465 0.000 -5.559) 8.527 5.253 ( 1.502 0.000 13.264) 13.349 5.481 ( -1.747 -0.000 -10.286) 10.433 6.685 ( 1.236 0.000 5.815) 5.945 6.838 ( -0.234 -0.000 -8.985) 8.988 6.927 ( -1.894 -0.000 20.634) 20.721 7.426 ( 7.630 0.000 -24.787) 25.935 8.036 ( 3.156 0.000 4.679) 5.644 8.142 ( 9.261 0.000 -3.498) 9.899 8.616 ( -9.249 -0.000 14.666) 17.339 8.901 ( -6.265 -0.000 -12.958) 14.393 9.209 ( -1.402 -0.000 1.985) 2.431 9.229 ( 0.320 0.000 0.270) 0.419 10.425 ( 0.183 0.000 24.103) 24.104 10.708 ( 0.391 0.000 -3.251) 3.275 11.879 ( 0.042 0.000 14.427) 14.427 12.163 ( 0.498 0.000 -13.301) 13.310 12.775 ( -0.116 -0.000 -5.013) 5.014 12.780 ( 1.398 0.000 -4.576) 4.785 13.678 ( 0.487 0.000 36.486) 36.489 14.307 ( -9.131 -0.000 19.463) 21.499 14.319 ( 8.328 0.000 -26.374) 27.657 14.696 ( -14.455 -0.000 -19.243) 24.067 15.538 ( 3.795 0.000 11.054) 11.688 15.820 ( 3.515 0.000 -15.042) 15.447 20.464 ( -1.754 -0.000 7.773) 7.968 20.600 ( -2.623 -0.000 -5.063) 5.702 21.578 ( 2.438 0.000 21.465) 21.603 22.132 ( 5.782 0.000 -33.385) 33.882 24.687 ( -0.933 -0.000 9.837) 9.881 24.836 ( -0.011 -0.000 -4.888) 4.888 ======================= Grid point 475 (153/155) ======================= q-point: ( 0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 3.033 -2.749 5.242) 6.650 1.595 ( 3.424 -2.083 -5.444) 6.760 1.656 ( -1.822 -2.436 5.562) 6.340 1.745 ( -0.024 -1.738 -0.483) 1.804 2.332 ( 0.616 1.508 2.133) 2.684 2.372 ( 0.455 0.400 -0.764) 0.975 2.743 ( 0.183 10.975 5.083) 12.097 2.831 ( 1.883 7.323 -3.839) 8.480 3.120 ( 2.000 1.495 4.186) 4.874 3.186 ( 2.149 -1.676 -0.286) 2.740 3.228 ( -3.168 -0.214 -1.484) 3.505 3.268 ( -5.907 -2.597 -3.429) 7.308 3.860 ( 0.254 -5.021 5.443) 7.410 4.000 ( 0.454 -3.385 -2.101) 4.010 4.035 ( -1.991 -4.251 -5.258) 7.049 4.100 ( -3.207 -7.621 -5.136) 9.734 4.530 ( 1.029 -0.865 6.766) 6.898 4.694 ( 3.243 -3.094 -7.928) 9.107 5.286 ( 0.635 -2.576 13.508) 13.766 5.513 ( -0.935 -4.082 -9.905) 10.754 6.631 ( -0.086 5.362 6.973) 8.796 6.824 ( 1.132 1.820 -10.168) 10.392 6.912 ( -2.056 0.346 20.928) 21.031 7.446 ( 2.750 1.667 -27.477) 27.664 8.134 ( 4.307 -7.898 12.070) 15.054 8.352 ( 7.665 -14.261 -7.878) 18.005 8.485 ( -6.916 7.437 13.641) 17.007 8.776 ( -5.122 8.954 -14.016) 17.403 9.235 ( -0.963 -5.201 4.653) 7.045 9.299 ( -0.142 -7.123 -1.351) 7.251 10.446 ( 0.079 -1.978 22.637) 22.723 10.710 ( 0.045 0.135 -2.848) 2.852 11.920 ( -0.066 -4.669 14.385) 15.124 12.197 ( 0.260 -3.687 -12.677) 13.205 12.756 ( 0.209 0.056 0.027) 0.219 12.854 ( 0.302 -5.092 -8.615) 10.012 13.706 ( 0.498 -2.690 38.377) 38.475 14.277 ( -3.465 -1.580 16.679) 17.109 14.399 ( 6.564 -2.776 -27.552) 28.459 14.625 ( -10.665 -1.101 -16.908) 20.021 15.515 ( 1.767 4.369 11.498) 12.426 15.809 ( 1.721 3.232 -15.579) 16.004 20.454 ( -0.721 0.063 8.119) 8.151 20.599 ( -1.168 -1.188 -5.750) 5.987 21.555 ( 1.149 3.690 21.132) 21.483 22.097 ( 2.755 6.676 -32.488) 33.281 24.675 ( -0.463 0.809 10.400) 10.442 24.837 ( -0.047 0.052 -5.531) 5.531 ======================= Grid point 476 (154/155) ======================= q-point: ( 0.60 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 0.000 -4.168 4.871) 6.410 1.657 ( 0.000 -3.389 -6.436) 7.274 1.686 ( 0.000 -1.469 9.388) 9.502 1.791 ( 0.000 -3.081 0.146) 3.084 2.312 ( -0.000 1.194 -0.055) 1.195 2.347 ( -0.000 2.297 -3.319) 4.036 2.531 ( -0.000 11.743 7.447) 13.905 2.670 ( -0.000 10.288 -6.295) 12.061 3.084 ( -0.000 2.670 4.801) 5.494 3.178 ( -0.000 2.235 -4.489) 5.015 3.201 ( -0.000 1.694 4.328) 4.647 3.320 ( 0.000 -2.578 -6.437) 6.935 3.991 ( 0.000 -8.753 4.988) 10.074 4.099 ( 0.000 -5.569 5.506) 7.831 4.138 ( 0.000 -8.431 -9.055) 12.372 4.212 ( 0.000 -4.903 -3.816) 6.213 4.556 ( 0.000 -1.061 8.096) 8.165 4.754 ( 0.000 -1.528 -9.869) 9.987 5.337 ( 0.000 -2.362 15.413) 15.593 5.590 ( 0.000 -4.033 -9.972) 10.756 6.540 ( -0.000 3.570 9.065) 9.742 6.790 ( -0.000 1.730 -14.844) 14.944 6.900 ( 0.000 -0.258 20.782) 20.783 7.414 ( -0.000 2.302 -26.707) 26.806 8.272 ( -0.000 10.972 12.758) 16.828 8.315 ( 0.000 -7.850 17.030) 18.753 8.555 ( -0.000 11.860 -14.521) 18.748 8.633 ( 0.000 -8.438 -14.059) 16.396 9.454 ( 0.000 -20.136 5.183) 20.792 9.513 ( 0.000 -18.421 -0.446) 18.427 10.483 ( 0.000 -1.742 19.009) 19.088 10.701 ( -0.000 0.821 -2.064) 2.221 12.053 ( 0.000 -10.386 13.576) 17.093 12.303 ( 0.000 -8.094 -10.716) 13.430 12.765 ( 0.000 -0.611 6.200) 6.230 12.950 ( 0.000 -5.041 -10.666) 11.798 13.774 ( 0.000 -4.385 37.710) 37.964 14.304 ( 0.000 -1.937 16.193) 16.309 14.484 ( 0.000 -3.633 -31.688) 31.895 14.593 ( -0.000 1.124 -11.450) 11.505 15.418 ( -0.000 6.314 11.547) 13.160 15.726 ( -0.000 6.360 -16.568) 17.747 20.459 ( 0.000 -0.964 8.960) 9.011 20.628 ( 0.000 -2.406 -7.507) 7.883 21.469 ( -0.000 5.872 18.911) 19.802 21.944 ( -0.000 10.636 -27.956) 29.910 24.652 ( -0.000 1.576 10.912) 11.025 24.830 ( -0.000 0.762 -6.618) 6.662 ======================= Grid point 487 (155/155) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.000 0.000 5.145) 5.145 1.589 ( -0.000 0.000 -7.687) 7.687 1.623 ( 0.000 0.000 7.237) 7.237 1.730 ( 0.000 0.000 -1.585) 1.585 2.362 ( -0.000 0.000 1.434) 1.434 2.363 ( 0.000 0.000 2.599) 2.599 2.870 ( 0.000 0.000 1.490) 1.490 2.908 ( 0.000 0.000 -2.083) 2.083 3.117 ( 0.000 0.000 4.596) 4.596 3.147 ( 0.000 0.000 4.849) 4.849 3.223 ( -0.000 0.000 -5.640) 5.640 3.242 ( 0.000 0.000 -3.662) 3.662 3.813 ( 0.000 0.000 6.777) 6.777 3.976 ( 0.000 0.000 -3.163) 3.163 3.994 ( 0.000 0.000 -2.551) 2.551 4.000 ( -0.000 0.000 -10.370) 10.370 4.524 ( 0.000 0.000 6.686) 6.686 4.673 ( 0.000 0.000 -6.732) 6.732 5.263 ( 0.000 0.000 12.334) 12.334 5.469 ( 0.000 0.000 -9.399) 9.399 6.695 ( 0.000 0.000 4.278) 4.278 6.836 ( 0.000 0.000 -8.924) 8.924 6.911 ( 0.000 0.000 23.850) 23.850 7.474 ( 0.000 0.000 -29.030) 29.030 8.070 ( 0.000 0.000 8.899) 8.899 8.212 ( 0.000 0.000 -3.812) 3.812 8.544 ( 0.000 0.000 15.225) 15.225 8.850 ( 0.000 0.000 -14.370) 14.370 9.203 ( 0.000 0.000 2.603) 2.603 9.232 ( 0.000 0.000 0.000) 0.000 10.426 ( 0.000 0.000 24.330) 24.330 10.711 ( 0.000 0.000 -3.247) 3.247 11.879 ( 0.000 0.000 14.633) 14.633 12.166 ( 0.000 0.000 -13.408) 13.408 12.775 ( 0.000 0.000 -4.914) 4.914 12.789 ( 0.000 0.000 -5.704) 5.704 13.682 ( -0.000 0.000 39.757) 39.757 14.246 ( 0.000 0.000 17.444) 17.444 14.402 ( 0.000 0.000 -31.150) 31.150 14.573 ( -0.000 0.000 -15.018) 15.018 15.562 ( 0.000 0.000 10.870) 10.870 15.843 ( 0.000 0.000 -15.025) 15.025 20.453 ( 0.000 0.000 7.565) 7.565 20.584 ( 0.000 0.000 -4.747) 4.747 21.593 ( 0.000 0.000 22.261) 22.261 22.169 ( 0.000 0.000 -34.689) 34.689 24.681 ( 0.000 0.000 10.255) 10.255 24.836 ( 0.000 0.000 -5.085) 5.085 =================== 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 3/43200 10.0 545.606 367.964 346.297 0.000 0.000 -0.000 3/43200 20.0 68.156 55.673 58.315 0.000 0.000 -0.000 3/43200 30.0 23.079 20.883 22.430 0.000 0.000 -0.000 3/43200 40.0 12.110 11.562 12.624 0.000 0.000 -0.000 3/43200 50.0 7.908 7.779 8.605 0.000 0.000 -0.000 3/43200 60.0 5.820 5.837 6.530 0.000 0.000 -0.000 3/43200 70.0 4.600 4.685 5.294 0.000 0.000 -0.000 3/43200 80.0 3.809 3.932 4.485 0.000 0.000 -0.000 3/43200 90.0 3.257 3.405 3.920 0.000 0.000 -0.000 3/43200 100.0 2.850 3.016 3.504 0.000 0.000 -0.000 3/43200 110.0 2.539 2.718 3.185 0.000 0.000 -0.000 3/43200 120.0 2.294 2.482 2.934 0.000 0.000 -0.000 3/43200 130.0 2.097 2.290 2.731 0.000 0.000 -0.000 3/43200 140.0 1.934 2.130 2.562 0.000 0.000 -0.000 3/43200 150.0 1.798 1.995 2.420 0.000 0.000 -0.000 3/43200 160.0 1.683 1.878 2.298 0.000 0.000 -0.000 3/43200 170.0 1.585 1.777 2.193 0.000 0.000 -0.000 3/43200 180.0 1.499 1.689 2.100 0.000 0.000 -0.000 3/43200 190.0 1.425 1.610 2.017 0.000 0.000 -0.000 3/43200 200.0 1.359 1.539 1.943 0.000 0.000 -0.000 3/43200 210.0 1.300 1.475 1.875 0.000 0.000 -0.000 3/43200 220.0 1.248 1.417 1.814 0.000 0.000 -0.000 3/43200 230.0 1.200 1.364 1.757 0.000 0.000 -0.000 3/43200 240.0 1.157 1.316 1.705 0.000 0.000 -0.000 3/43200 250.0 1.118 1.271 1.656 0.000 0.000 -0.000 3/43200 260.0 1.081 1.229 1.611 0.000 0.000 -0.000 3/43200 270.0 1.048 1.191 1.568 0.000 0.000 -0.000 3/43200 280.0 1.016 1.155 1.528 0.000 0.000 -0.000 3/43200 290.0 0.987 1.121 1.489 0.000 0.000 -0.000 3/43200 300.0 0.960 1.089 1.453 0.000 0.000 -0.000 3/43200 310.0 0.934 1.059 1.419 0.000 0.000 -0.000 3/43200 320.0 0.910 1.031 1.386 0.000 0.000 -0.000 3/43200 330.0 0.888 1.004 1.355 0.000 0.000 -0.000 3/43200 340.0 0.866 0.979 1.325 0.000 0.000 -0.000 3/43200 350.0 0.845 0.955 1.297 0.000 0.000 -0.000 3/43200 360.0 0.826 0.932 1.269 0.000 0.000 -0.000 3/43200 370.0 0.807 0.910 1.243 0.000 0.000 -0.000 3/43200 380.0 0.790 0.890 1.218 0.000 0.000 -0.000 3/43200 390.0 0.773 0.870 1.193 0.000 0.000 -0.000 3/43200 400.0 0.757 0.851 1.170 0.000 0.000 -0.000 3/43200 410.0 0.741 0.833 1.148 0.000 0.000 -0.000 3/43200 420.0 0.726 0.815 1.126 0.000 0.000 -0.000 3/43200 430.0 0.712 0.798 1.105 0.000 0.000 -0.000 3/43200 440.0 0.698 0.782 1.085 0.000 0.000 -0.000 3/43200 450.0 0.685 0.767 1.065 0.000 0.000 -0.000 3/43200 460.0 0.672 0.752 1.046 0.000 0.000 -0.000 3/43200 470.0 0.660 0.738 1.028 0.000 0.000 -0.000 3/43200 480.0 0.648 0.724 1.010 0.000 0.000 -0.000 3/43200 490.0 0.636 0.711 0.993 0.000 0.000 -0.000 3/43200 500.0 0.625 0.698 0.976 0.000 0.000 -0.000 3/43200 510.0 0.615 0.686 0.960 0.000 0.000 -0.000 3/43200 520.0 0.604 0.674 0.945 0.000 0.000 -0.000 3/43200 530.0 0.594 0.662 0.930 0.000 0.000 -0.000 3/43200 540.0 0.585 0.651 0.915 0.000 0.000 -0.000 3/43200 550.0 0.575 0.640 0.901 0.000 0.000 -0.000 3/43200 560.0 0.566 0.630 0.887 0.000 0.000 -0.000 3/43200 570.0 0.557 0.620 0.873 0.000 0.000 -0.000 3/43200 580.0 0.549 0.610 0.860 0.000 0.000 -0.000 3/43200 590.0 0.540 0.600 0.848 0.000 0.000 -0.000 3/43200 600.0 0.532 0.591 0.835 0.000 0.000 -0.000 3/43200 610.0 0.524 0.582 0.823 0.000 0.000 -0.000 3/43200 620.0 0.517 0.573 0.812 0.000 0.000 -0.000 3/43200 630.0 0.509 0.565 0.800 0.000 0.000 -0.000 3/43200 640.0 0.502 0.557 0.789 0.000 0.000 -0.000 3/43200 650.0 0.495 0.549 0.778 0.000 0.000 -0.000 3/43200 660.0 0.488 0.541 0.768 0.000 0.000 -0.000 3/43200 670.0 0.482 0.533 0.758 0.000 0.000 -0.000 3/43200 680.0 0.475 0.526 0.748 0.000 0.000 -0.000 3/43200 690.0 0.469 0.519 0.738 0.000 0.000 -0.000 3/43200 700.0 0.463 0.512 0.728 0.000 0.000 -0.000 3/43200 710.0 0.457 0.505 0.719 0.000 0.000 -0.000 3/43200 720.0 0.451 0.499 0.710 0.000 0.000 -0.000 3/43200 730.0 0.445 0.492 0.701 0.000 0.000 -0.000 3/43200 740.0 0.440 0.486 0.693 0.000 0.000 -0.000 3/43200 750.0 0.434 0.480 0.684 0.000 0.000 -0.000 3/43200 760.0 0.429 0.474 0.676 0.000 0.000 -0.000 3/43200 770.0 0.424 0.468 0.668 0.000 0.000 -0.000 3/43200 780.0 0.419 0.462 0.660 0.000 0.000 -0.000 3/43200 790.0 0.414 0.457 0.652 0.000 0.000 -0.000 3/43200 800.0 0.409 0.451 0.645 0.000 0.000 -0.000 3/43200 810.0 0.404 0.446 0.638 0.000 0.000 -0.000 3/43200 820.0 0.400 0.441 0.630 0.000 0.000 -0.000 3/43200 830.0 0.395 0.436 0.623 0.000 0.000 -0.000 3/43200 840.0 0.391 0.431 0.616 0.000 0.000 -0.000 3/43200 850.0 0.386 0.426 0.610 0.000 0.000 -0.000 3/43200 860.0 0.382 0.421 0.603 0.000 0.000 -0.000 3/43200 870.0 0.378 0.417 0.597 0.000 0.000 -0.000 3/43200 880.0 0.374 0.412 0.590 0.000 0.000 -0.000 3/43200 890.0 0.370 0.408 0.584 0.000 0.000 -0.000 3/43200 900.0 0.366 0.403 0.578 0.000 0.000 -0.000 3/43200 910.0 0.362 0.399 0.572 0.000 0.000 -0.000 3/43200 920.0 0.358 0.395 0.566 0.000 0.000 -0.000 3/43200 930.0 0.355 0.391 0.561 0.000 0.000 -0.000 3/43200 940.0 0.351 0.387 0.555 0.000 0.000 -0.000 3/43200 950.0 0.348 0.383 0.549 0.000 0.000 -0.000 3/43200 960.0 0.344 0.379 0.544 0.000 0.000 -0.000 3/43200 970.0 0.341 0.375 0.539 0.000 0.000 -0.000 3/43200 980.0 0.338 0.372 0.534 0.000 0.000 -0.000 3/43200 990.0 0.334 0.368 0.528 0.000 0.000 -0.000 3/43200 1000.0 0.331 0.364 0.523 0.000 0.000 -0.000 3/43200 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:56:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|