----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:02:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 3] 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: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.436523605000000 -3.126137905000000 0.000000000000000 b 5.436523605000000 3.126137905000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.909351499999998 Atomic positions (fractional): *1 O 0.39422915026923 0.60577084973077 0.59918801562603 15.999 2 O 0.60577084973077 0.39422915026923 0.09918801562603 15.999 *3 O 0.65928811152383 0.06675833574636 0.52508671447360 15.999 4 O 0.34071188847617 0.93324166425364 0.02508671447360 15.999 5 O 0.93324166425364 0.34071188847617 0.52508671447360 15.999 6 O 0.06675833574636 0.65928811152383 0.02508671447360 15.999 *7 Na 0.32799426212641 0.00657163866177 0.50030009783302 22.990 8 Na 0.99342836133823 0.67200573787359 0.50030009783302 22.990 9 Na 0.67200573787359 0.99342836133823 0.00030009783302 22.990 10 Na 0.00657163866177 0.32799426212641 0.00030009783302 22.990 *11 Ge 0.66425911910506 0.33574088089494 0.46543834976076 72.640 12 Ge 0.33574088089494 0.66425911910506 0.96543834976076 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.873047209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.252275810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.909351499999998 Atomic positions (fractional): *1 O 0.00000000000000 0.60577084973077 0.59918801562603 15.999 > 1 2 O 0.00000000000000 0.39422915026923 0.09918801562603 15.999 > 2 *3 O 0.36302322363510 0.70373511211127 0.52508671447360 15.999 > 3 4 O 0.13697677636490 0.79626488788873 0.02508671447360 15.999 > 4 5 O 0.13697677636490 0.20373511211127 0.52508671447360 15.999 > 5 6 O 0.36302322363510 0.29626488788873 0.02508671447360 15.999 > 6 7 O 0.50000000000000 0.10577084973077 0.59918801562603 15.999 > 1 8 O 0.50000000000000 0.89422915026923 0.09918801562603 15.999 > 2 9 O 0.86302322363510 0.20373511211127 0.52508671447360 15.999 > 3 10 O 0.63697677636490 0.29626488788873 0.02508671447360 15.999 > 4 11 O 0.63697677636490 0.70373511211127 0.52508671447360 15.999 > 5 12 O 0.86302322363510 0.79626488788873 0.02508671447360 15.999 > 6 *13 Na 0.16728295039409 0.83928868826768 0.50030009783302 22.990 > 7 14 Na 0.33271704960591 0.33928868826768 0.50030009783302 22.990 > 8 15 Na 0.33271704960591 0.66071131173232 0.00030009783302 22.990 > 9 16 Na 0.16728295039409 0.16071131173232 0.00030009783302 22.990 > 10 17 Na 0.66728295039409 0.33928868826768 0.50030009783302 22.990 > 7 18 Na 0.83271704960591 0.83928868826768 0.50030009783302 22.990 > 8 19 Na 0.83271704960591 0.16071131173232 0.00030009783302 22.990 > 9 20 Na 0.66728295039409 0.66071131173232 0.00030009783302 22.990 > 10 *21 Ge 0.00000000000000 0.33574088089494 0.46543834976076 72.640 > 11 22 Ge 0.00000000000000 0.66425911910506 0.96543834976076 72.640 > 12 23 Ge 0.50000000000000 0.83574088089494 0.46543834976076 72.640 > 11 24 Ge 0.50000000000000 0.16425911910506 0.96543834976076 72.640 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.873047209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.504551620000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.728054499999994 Atomic positions (fractional): *1 O 0.00000000000000 0.30288542486539 0.19972933854201 15.999 > 1 2 O 0.00000000000000 0.80288542486539 0.19972933854201 15.999 > 1 3 O 0.00000000000000 0.30288542486539 0.53306267187534 15.999 > 1 4 O 0.00000000000000 0.80288542486539 0.53306267187534 15.999 > 1 5 O 0.00000000000000 0.30288542486539 0.86639600520868 15.999 > 1 6 O 0.00000000000000 0.80288542486539 0.86639600520868 15.999 > 1 7 O 0.00000000000000 0.19711457513461 0.03306267187534 15.999 > 2 8 O 0.00000000000000 0.69711457513461 0.03306267187534 15.999 > 2 9 O 0.00000000000000 0.19711457513461 0.36639600520868 15.999 > 2 10 O 0.00000000000000 0.69711457513461 0.36639600520868 15.999 > 2 11 O 0.00000000000000 0.19711457513461 0.69972933854201 15.999 > 2 12 O 0.00000000000000 0.69711457513461 0.69972933854201 15.999 > 2 *13 O 0.36302322363510 0.35186755605563 0.17502890482453 15.999 > 3 14 O 0.36302322363510 0.85186755605563 0.17502890482453 15.999 > 3 15 O 0.36302322363510 0.35186755605563 0.50836223815787 15.999 > 3 16 O 0.36302322363510 0.85186755605563 0.50836223815787 15.999 > 3 17 O 0.36302322363510 0.35186755605563 0.84169557149120 15.999 > 3 18 O 0.36302322363510 0.85186755605563 0.84169557149120 15.999 > 3 19 O 0.13697677636490 0.39813244394437 0.00836223815787 15.999 > 4 20 O 0.13697677636490 0.89813244394437 0.00836223815787 15.999 > 4 21 O 0.13697677636490 0.39813244394437 0.34169557149120 15.999 > 4 22 O 0.13697677636490 0.89813244394437 0.34169557149120 15.999 > 4 23 O 0.13697677636490 0.39813244394437 0.67502890482453 15.999 > 4 24 O 0.13697677636490 0.89813244394437 0.67502890482453 15.999 > 4 25 O 0.13697677636490 0.10186755605563 0.17502890482453 15.999 > 5 26 O 0.13697677636490 0.60186755605563 0.17502890482453 15.999 > 5 27 O 0.13697677636490 0.10186755605563 0.50836223815787 15.999 > 5 28 O 0.13697677636490 0.60186755605563 0.50836223815787 15.999 > 5 29 O 0.13697677636490 0.10186755605563 0.84169557149120 15.999 > 5 30 O 0.13697677636490 0.60186755605563 0.84169557149120 15.999 > 5 31 O 0.36302322363510 0.14813244394437 0.00836223815787 15.999 > 6 32 O 0.36302322363510 0.64813244394437 0.00836223815787 15.999 > 6 33 O 0.36302322363510 0.14813244394437 0.34169557149120 15.999 > 6 34 O 0.36302322363510 0.64813244394437 0.34169557149120 15.999 > 6 35 O 0.36302322363510 0.14813244394437 0.67502890482453 15.999 > 6 36 O 0.36302322363510 0.64813244394437 0.67502890482453 15.999 > 6 37 O 0.50000000000000 0.05288542486539 0.19972933854201 15.999 > 1 38 O 0.50000000000000 0.55288542486539 0.19972933854201 15.999 > 1 39 O 0.50000000000000 0.05288542486539 0.53306267187534 15.999 > 1 40 O 0.50000000000000 0.55288542486539 0.53306267187534 15.999 > 1 41 O 0.50000000000000 0.05288542486539 0.86639600520868 15.999 > 1 42 O 0.50000000000000 0.55288542486539 0.86639600520868 15.999 > 1 43 O 0.50000000000000 0.44711457513461 0.03306267187534 15.999 > 2 44 O 0.50000000000000 0.94711457513461 0.03306267187534 15.999 > 2 45 O 0.50000000000000 0.44711457513461 0.36639600520868 15.999 > 2 46 O 0.50000000000000 0.94711457513461 0.36639600520868 15.999 > 2 47 O 0.50000000000000 0.44711457513461 0.69972933854201 15.999 > 2 48 O 0.50000000000000 0.94711457513461 0.69972933854201 15.999 > 2 49 O 0.86302322363510 0.10186755605563 0.17502890482453 15.999 > 3 50 O 0.86302322363510 0.60186755605563 0.17502890482453 15.999 > 3 51 O 0.86302322363510 0.10186755605563 0.50836223815787 15.999 > 3 52 O 0.86302322363510 0.60186755605563 0.50836223815787 15.999 > 3 53 O 0.86302322363510 0.10186755605563 0.84169557149120 15.999 > 3 54 O 0.86302322363510 0.60186755605563 0.84169557149120 15.999 > 3 55 O 0.63697677636490 0.14813244394437 0.00836223815787 15.999 > 4 56 O 0.63697677636490 0.64813244394437 0.00836223815787 15.999 > 4 57 O 0.63697677636490 0.14813244394437 0.34169557149120 15.999 > 4 58 O 0.63697677636490 0.64813244394437 0.34169557149120 15.999 > 4 59 O 0.63697677636490 0.14813244394437 0.67502890482453 15.999 > 4 60 O 0.63697677636490 0.64813244394437 0.67502890482453 15.999 > 4 61 O 0.63697677636490 0.35186755605563 0.17502890482453 15.999 > 5 62 O 0.63697677636490 0.85186755605563 0.17502890482453 15.999 > 5 63 O 0.63697677636490 0.35186755605563 0.50836223815787 15.999 > 5 64 O 0.63697677636490 0.85186755605563 0.50836223815787 15.999 > 5 65 O 0.63697677636490 0.35186755605563 0.84169557149120 15.999 > 5 66 O 0.63697677636490 0.85186755605563 0.84169557149120 15.999 > 5 67 O 0.86302322363510 0.39813244394437 0.00836223815787 15.999 > 6 68 O 0.86302322363510 0.89813244394437 0.00836223815787 15.999 > 6 69 O 0.86302322363510 0.39813244394437 0.34169557149120 15.999 > 6 70 O 0.86302322363510 0.89813244394437 0.34169557149120 15.999 > 6 71 O 0.86302322363510 0.39813244394437 0.67502890482453 15.999 > 6 72 O 0.86302322363510 0.89813244394437 0.67502890482453 15.999 > 6 *73 Na 0.16728295039409 0.41964434413384 0.16676669927767 22.990 > 7 74 Na 0.16728295039409 0.91964434413384 0.16676669927767 22.990 > 7 75 Na 0.16728295039409 0.41964434413384 0.50010003261101 22.990 > 7 76 Na 0.16728295039409 0.91964434413384 0.50010003261101 22.990 > 7 77 Na 0.16728295039409 0.41964434413384 0.83343336594434 22.990 > 7 78 Na 0.16728295039409 0.91964434413384 0.83343336594434 22.990 > 7 79 Na 0.33271704960591 0.16964434413384 0.16676669927767 22.990 > 8 80 Na 0.33271704960591 0.66964434413384 0.16676669927767 22.990 > 8 81 Na 0.33271704960591 0.16964434413384 0.50010003261101 22.990 > 8 82 Na 0.33271704960591 0.66964434413384 0.50010003261101 22.990 > 8 83 Na 0.33271704960591 0.16964434413384 0.83343336594434 22.990 > 8 84 Na 0.33271704960591 0.66964434413384 0.83343336594434 22.990 > 8 85 Na 0.33271704960591 0.33035565586616 0.00010003261101 22.990 > 9 86 Na 0.33271704960591 0.83035565586616 0.00010003261101 22.990 > 9 87 Na 0.33271704960591 0.33035565586616 0.33343336594434 22.990 > 9 88 Na 0.33271704960591 0.83035565586616 0.33343336594434 22.990 > 9 89 Na 0.33271704960591 0.33035565586616 0.66676669927767 22.990 > 9 90 Na 0.33271704960591 0.83035565586616 0.66676669927767 22.990 > 9 91 Na 0.16728295039409 0.08035565586616 0.00010003261101 22.990 > 10 92 Na 0.16728295039409 0.58035565586616 0.00010003261101 22.990 > 10 93 Na 0.16728295039409 0.08035565586616 0.33343336594434 22.990 > 10 94 Na 0.16728295039409 0.58035565586616 0.33343336594434 22.990 > 10 95 Na 0.16728295039409 0.08035565586616 0.66676669927767 22.990 > 10 96 Na 0.16728295039409 0.58035565586616 0.66676669927767 22.990 > 10 97 Na 0.66728295039409 0.16964434413384 0.16676669927767 22.990 > 7 98 Na 0.66728295039409 0.66964434413384 0.16676669927767 22.990 > 7 99 Na 0.66728295039409 0.16964434413384 0.50010003261101 22.990 > 7 100 Na 0.66728295039409 0.66964434413384 0.50010003261101 22.990 > 7 101 Na 0.66728295039409 0.16964434413384 0.83343336594434 22.990 > 7 102 Na 0.66728295039409 0.66964434413384 0.83343336594434 22.990 > 7 103 Na 0.83271704960591 0.41964434413384 0.16676669927767 22.990 > 8 104 Na 0.83271704960591 0.91964434413384 0.16676669927767 22.990 > 8 105 Na 0.83271704960591 0.41964434413384 0.50010003261101 22.990 > 8 106 Na 0.83271704960591 0.91964434413384 0.50010003261101 22.990 > 8 107 Na 0.83271704960591 0.41964434413384 0.83343336594434 22.990 > 8 108 Na 0.83271704960591 0.91964434413384 0.83343336594434 22.990 > 8 109 Na 0.83271704960591 0.08035565586616 0.00010003261101 22.990 > 9 110 Na 0.83271704960591 0.58035565586616 0.00010003261101 22.990 > 9 111 Na 0.83271704960591 0.08035565586616 0.33343336594434 22.990 > 9 112 Na 0.83271704960591 0.58035565586616 0.33343336594434 22.990 > 9 113 Na 0.83271704960591 0.08035565586616 0.66676669927767 22.990 > 9 114 Na 0.83271704960591 0.58035565586616 0.66676669927767 22.990 > 9 115 Na 0.66728295039409 0.33035565586616 0.00010003261101 22.990 > 10 116 Na 0.66728295039409 0.83035565586616 0.00010003261101 22.990 > 10 117 Na 0.66728295039409 0.33035565586616 0.33343336594434 22.990 > 10 118 Na 0.66728295039409 0.83035565586616 0.33343336594434 22.990 > 10 119 Na 0.66728295039409 0.33035565586616 0.66676669927767 22.990 > 10 120 Na 0.66728295039409 0.83035565586616 0.66676669927767 22.990 > 10 *121 Ge 0.00000000000000 0.16787044044747 0.15514611658692 72.640 > 11 122 Ge 0.00000000000000 0.66787044044747 0.15514611658692 72.640 > 11 123 Ge 0.00000000000000 0.16787044044747 0.48847944992025 72.640 > 11 124 Ge 0.00000000000000 0.66787044044747 0.48847944992025 72.640 > 11 125 Ge 0.00000000000000 0.16787044044747 0.82181278325359 72.640 > 11 126 Ge 0.00000000000000 0.66787044044747 0.82181278325359 72.640 > 11 127 Ge 0.00000000000000 0.33212955955253 0.32181278325359 72.640 > 12 128 Ge 0.00000000000000 0.83212955955253 0.32181278325359 72.640 > 12 129 Ge 0.00000000000000 0.33212955955253 0.65514611658692 72.640 > 12 130 Ge 0.00000000000000 0.83212955955253 0.65514611658692 72.640 > 12 131 Ge 0.00000000000000 0.33212955955253 0.98847944992025 72.640 > 12 132 Ge 0.00000000000000 0.83212955955253 0.98847944992025 72.640 > 12 133 Ge 0.50000000000000 0.41787044044747 0.15514611658692 72.640 > 11 134 Ge 0.50000000000000 0.91787044044747 0.15514611658692 72.640 > 11 135 Ge 0.50000000000000 0.41787044044747 0.48847944992025 72.640 > 11 136 Ge 0.50000000000000 0.91787044044747 0.48847944992025 72.640 > 11 137 Ge 0.50000000000000 0.41787044044747 0.82181278325359 72.640 > 11 138 Ge 0.50000000000000 0.91787044044747 0.82181278325359 72.640 > 11 139 Ge 0.50000000000000 0.08212955955253 0.32181278325359 72.640 > 12 140 Ge 0.50000000000000 0.58212955955253 0.32181278325359 72.640 > 12 141 Ge 0.50000000000000 0.08212955955253 0.65514611658692 72.640 > 12 142 Ge 0.50000000000000 0.58212955955253 0.65514611658692 72.640 > 12 143 Ge 0.50000000000000 0.08212955955253 0.98847944992025 72.640 > 12 144 Ge 0.50000000000000 0.58212955955253 0.98847944992025 72.640 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6790812 0.0000000 0.0000000 0.0000000 2.7207307 0.0000000 0.0000000 0.0000000 2.8041368 -------------------------- Born effective charges -------------------------- 1 O -1.0099436 0.0000000 0.0000000 0.0000000 -1.8819586 -0.5825910 0.0000000 -0.7336265 -2.4421756 2 O -1.0099436 0.0000000 0.0000000 0.0000000 -1.8819586 0.5825910 0.0000000 0.7336265 -2.4421756 3 O -1.8308723 -0.2414196 0.0744592 -0.4071613 -1.5170100 0.1093776 0.1059296 0.0215556 -1.3940749 4 O -1.8308723 -0.2414196 -0.0744592 -0.4071613 -1.5170100 -0.1093776 -0.1059296 -0.0215556 -1.3940749 5 O -1.8308723 0.2414196 -0.0744592 0.4071613 -1.5170100 0.1093776 -0.1059296 0.0215556 -1.3940749 6 O -1.8308723 0.2414196 0.0744592 0.4071613 -1.5170100 -0.1093776 0.1059296 -0.0215556 -1.3940749 7 Na 1.0754079 -0.0628087 0.0022079 0.0970598 1.0321117 -0.0080349 -0.0259646 -0.0243060 1.0342214 8 Na 1.0754079 0.0628087 -0.0022079 -0.0970598 1.0321117 -0.0080349 0.0259646 -0.0243060 1.0342214 9 Na 1.0754079 -0.0628087 -0.0022079 0.0970598 1.0321117 0.0080349 0.0259646 0.0243060 1.0342214 10 Na 1.0754079 0.0628087 0.0022079 -0.0970598 1.0321117 0.0080349 -0.0259646 0.0243060 1.0342214 11 Ge 2.5208724 0.0000000 0.0000000 0.0000000 2.8517551 -0.3749038 0.0000000 0.3187054 3.1618826 12 Ge 2.5208724 0.0000000 0.0000000 0.0000000 2.8517551 0.3749038 0.0000000 -0.3187054 3.1618826 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2022 Number of blocks in projector: 2022 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: 480 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 258 Use standard eigh solver. Tree of FC basis block matrices: - (2022, 1994), data: False |-- (258, 254), data: True |-- (258, 254), data: True |-- (258, 254), data: True |-- (384, 380), data: True |-- (384, 380), data: True |-- (480, 472), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 4.442 Solver_block: 200 / 400 - Time: 4.475 Solver_block: 300 / 400 - Time: 4.484 Solver_block: 400 / 400 - Time: 4.474 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.936 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9540/9540 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2022 Number of blocks in projector: 2022 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: 480 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 258 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 258 Use standard eigh solver. Tree of FC basis block matrices: - (2022, 1994), data: False |-- (258, 254), data: True |-- (258, 254), data: True |-- (258, 254), data: True |-- (384, 380), data: True |-- (384, 380), data: True |-- (480, 472), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:02:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:02:59]------------------------- 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 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.436523605000000 -3.126137905000000 0.000000000000000 b 5.436523605000000 3.126137905000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.909351499999998 Atomic positions (fractional): 1 O 0.39422915026923 0.60577084973077 0.59918801562603 15.999 2 O 0.60577084973077 0.39422915026923 0.09918801562603 15.999 3 O 0.65928811152383 0.06675833574636 0.52508671447360 15.999 4 O 0.34071188847617 0.93324166425364 0.02508671447360 15.999 5 O 0.93324166425364 0.34071188847617 0.52508671447360 15.999 6 O 0.06675833574636 0.65928811152383 0.02508671447360 15.999 7 Na 0.32799426212641 0.00657163866177 0.50030009783302 22.990 8 Na 0.99342836133823 0.67200573787359 0.50030009783302 22.990 9 Na 0.67200573787359 0.99342836133823 0.00030009783302 22.990 10 Na 0.00657163866177 0.32799426212641 0.00030009783302 22.990 11 Ge 0.66425911910506 0.33574088089494 0.46543834976076 72.640 12 Ge 0.33574088089494 0.66425911910506 0.96543834976076 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.873047209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.504551620000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.728054499999994 Atomic positions (fractional): 1 O 0.00000000000000 0.30288542486539 0.19972933854201 15.999 > 1 2 O 0.00000000000000 0.80288542486539 0.19972933854201 15.999 > 1 3 O 0.00000000000000 0.30288542486539 0.53306267187534 15.999 > 1 4 O 0.00000000000000 0.80288542486539 0.53306267187534 15.999 > 1 5 O 0.00000000000000 0.30288542486539 0.86639600520868 15.999 > 1 6 O 0.00000000000000 0.80288542486539 0.86639600520868 15.999 > 1 7 O 0.00000000000000 0.19711457513461 0.03306267187534 15.999 > 7 8 O 0.00000000000000 0.69711457513461 0.03306267187534 15.999 > 7 9 O 0.00000000000000 0.19711457513461 0.36639600520868 15.999 > 7 10 O 0.00000000000000 0.69711457513461 0.36639600520868 15.999 > 7 11 O 0.00000000000000 0.19711457513461 0.69972933854201 15.999 > 7 12 O 0.00000000000000 0.69711457513461 0.69972933854201 15.999 > 7 13 O 0.36302322363510 0.35186755605563 0.17502890482453 15.999 > 13 14 O 0.36302322363510 0.85186755605563 0.17502890482453 15.999 > 13 15 O 0.36302322363510 0.35186755605563 0.50836223815787 15.999 > 13 16 O 0.36302322363510 0.85186755605563 0.50836223815787 15.999 > 13 17 O 0.36302322363510 0.35186755605563 0.84169557149120 15.999 > 13 18 O 0.36302322363510 0.85186755605563 0.84169557149120 15.999 > 13 19 O 0.13697677636490 0.39813244394437 0.00836223815787 15.999 > 19 20 O 0.13697677636490 0.89813244394437 0.00836223815787 15.999 > 19 21 O 0.13697677636490 0.39813244394437 0.34169557149120 15.999 > 19 22 O 0.13697677636490 0.89813244394437 0.34169557149120 15.999 > 19 23 O 0.13697677636490 0.39813244394437 0.67502890482453 15.999 > 19 24 O 0.13697677636490 0.89813244394437 0.67502890482453 15.999 > 19 25 O 0.13697677636490 0.10186755605563 0.17502890482453 15.999 > 25 26 O 0.13697677636490 0.60186755605563 0.17502890482453 15.999 > 25 27 O 0.13697677636490 0.10186755605563 0.50836223815787 15.999 > 25 28 O 0.13697677636490 0.60186755605563 0.50836223815787 15.999 > 25 29 O 0.13697677636490 0.10186755605563 0.84169557149120 15.999 > 25 30 O 0.13697677636490 0.60186755605563 0.84169557149120 15.999 > 25 31 O 0.36302322363510 0.14813244394437 0.00836223815787 15.999 > 31 32 O 0.36302322363510 0.64813244394437 0.00836223815787 15.999 > 31 33 O 0.36302322363510 0.14813244394437 0.34169557149120 15.999 > 31 34 O 0.36302322363510 0.64813244394437 0.34169557149120 15.999 > 31 35 O 0.36302322363510 0.14813244394437 0.67502890482453 15.999 > 31 36 O 0.36302322363510 0.64813244394437 0.67502890482453 15.999 > 31 37 O 0.50000000000000 0.05288542486539 0.19972933854201 15.999 > 1 38 O 0.50000000000000 0.55288542486539 0.19972933854201 15.999 > 1 39 O 0.50000000000000 0.05288542486539 0.53306267187534 15.999 > 1 40 O 0.50000000000000 0.55288542486539 0.53306267187534 15.999 > 1 41 O 0.50000000000000 0.05288542486539 0.86639600520868 15.999 > 1 42 O 0.50000000000000 0.55288542486539 0.86639600520868 15.999 > 1 43 O 0.50000000000000 0.44711457513461 0.03306267187534 15.999 > 7 44 O 0.50000000000000 0.94711457513461 0.03306267187534 15.999 > 7 45 O 0.50000000000000 0.44711457513461 0.36639600520868 15.999 > 7 46 O 0.50000000000000 0.94711457513461 0.36639600520868 15.999 > 7 47 O 0.50000000000000 0.44711457513461 0.69972933854201 15.999 > 7 48 O 0.50000000000000 0.94711457513461 0.69972933854201 15.999 > 7 49 O 0.86302322363510 0.10186755605563 0.17502890482453 15.999 > 13 50 O 0.86302322363510 0.60186755605563 0.17502890482453 15.999 > 13 51 O 0.86302322363510 0.10186755605563 0.50836223815787 15.999 > 13 52 O 0.86302322363510 0.60186755605563 0.50836223815787 15.999 > 13 53 O 0.86302322363510 0.10186755605563 0.84169557149120 15.999 > 13 54 O 0.86302322363510 0.60186755605563 0.84169557149120 15.999 > 13 55 O 0.63697677636490 0.14813244394437 0.00836223815787 15.999 > 19 56 O 0.63697677636490 0.64813244394437 0.00836223815787 15.999 > 19 57 O 0.63697677636490 0.14813244394437 0.34169557149120 15.999 > 19 58 O 0.63697677636490 0.64813244394437 0.34169557149120 15.999 > 19 59 O 0.63697677636490 0.14813244394437 0.67502890482453 15.999 > 19 60 O 0.63697677636490 0.64813244394437 0.67502890482453 15.999 > 19 61 O 0.63697677636490 0.35186755605563 0.17502890482453 15.999 > 25 62 O 0.63697677636490 0.85186755605563 0.17502890482453 15.999 > 25 63 O 0.63697677636490 0.35186755605563 0.50836223815787 15.999 > 25 64 O 0.63697677636490 0.85186755605563 0.50836223815787 15.999 > 25 65 O 0.63697677636490 0.35186755605563 0.84169557149120 15.999 > 25 66 O 0.63697677636490 0.85186755605563 0.84169557149120 15.999 > 25 67 O 0.86302322363510 0.39813244394437 0.00836223815787 15.999 > 31 68 O 0.86302322363510 0.89813244394437 0.00836223815787 15.999 > 31 69 O 0.86302322363510 0.39813244394437 0.34169557149120 15.999 > 31 70 O 0.86302322363510 0.89813244394437 0.34169557149120 15.999 > 31 71 O 0.86302322363510 0.39813244394437 0.67502890482453 15.999 > 31 72 O 0.86302322363510 0.89813244394437 0.67502890482453 15.999 > 31 73 Na 0.16728295039409 0.41964434413384 0.16676669927767 22.990 > 73 74 Na 0.16728295039409 0.91964434413384 0.16676669927767 22.990 > 73 75 Na 0.16728295039409 0.41964434413384 0.50010003261101 22.990 > 73 76 Na 0.16728295039409 0.91964434413384 0.50010003261101 22.990 > 73 77 Na 0.16728295039409 0.41964434413384 0.83343336594434 22.990 > 73 78 Na 0.16728295039409 0.91964434413384 0.83343336594434 22.990 > 73 79 Na 0.33271704960591 0.16964434413384 0.16676669927767 22.990 > 79 80 Na 0.33271704960591 0.66964434413384 0.16676669927767 22.990 > 79 81 Na 0.33271704960591 0.16964434413384 0.50010003261101 22.990 > 79 82 Na 0.33271704960591 0.66964434413384 0.50010003261101 22.990 > 79 83 Na 0.33271704960591 0.16964434413384 0.83343336594434 22.990 > 79 84 Na 0.33271704960591 0.66964434413384 0.83343336594434 22.990 > 79 85 Na 0.33271704960591 0.33035565586616 0.00010003261101 22.990 > 85 86 Na 0.33271704960591 0.83035565586616 0.00010003261101 22.990 > 85 87 Na 0.33271704960591 0.33035565586616 0.33343336594434 22.990 > 85 88 Na 0.33271704960591 0.83035565586616 0.33343336594434 22.990 > 85 89 Na 0.33271704960591 0.33035565586616 0.66676669927767 22.990 > 85 90 Na 0.33271704960591 0.83035565586616 0.66676669927767 22.990 > 85 91 Na 0.16728295039409 0.08035565586616 0.00010003261101 22.990 > 91 92 Na 0.16728295039409 0.58035565586616 0.00010003261101 22.990 > 91 93 Na 0.16728295039409 0.08035565586616 0.33343336594434 22.990 > 91 94 Na 0.16728295039409 0.58035565586616 0.33343336594434 22.990 > 91 95 Na 0.16728295039409 0.08035565586616 0.66676669927767 22.990 > 91 96 Na 0.16728295039409 0.58035565586616 0.66676669927767 22.990 > 91 97 Na 0.66728295039409 0.16964434413384 0.16676669927767 22.990 > 73 98 Na 0.66728295039409 0.66964434413384 0.16676669927767 22.990 > 73 99 Na 0.66728295039409 0.16964434413384 0.50010003261101 22.990 > 73 100 Na 0.66728295039409 0.66964434413384 0.50010003261101 22.990 > 73 101 Na 0.66728295039409 0.16964434413384 0.83343336594434 22.990 > 73 102 Na 0.66728295039409 0.66964434413384 0.83343336594434 22.990 > 73 103 Na 0.83271704960591 0.41964434413384 0.16676669927767 22.990 > 79 104 Na 0.83271704960591 0.91964434413384 0.16676669927767 22.990 > 79 105 Na 0.83271704960591 0.41964434413384 0.50010003261101 22.990 > 79 106 Na 0.83271704960591 0.91964434413384 0.50010003261101 22.990 > 79 107 Na 0.83271704960591 0.41964434413384 0.83343336594434 22.990 > 79 108 Na 0.83271704960591 0.91964434413384 0.83343336594434 22.990 > 79 109 Na 0.83271704960591 0.08035565586616 0.00010003261101 22.990 > 85 110 Na 0.83271704960591 0.58035565586616 0.00010003261101 22.990 > 85 111 Na 0.83271704960591 0.08035565586616 0.33343336594434 22.990 > 85 112 Na 0.83271704960591 0.58035565586616 0.33343336594434 22.990 > 85 113 Na 0.83271704960591 0.08035565586616 0.66676669927767 22.990 > 85 114 Na 0.83271704960591 0.58035565586616 0.66676669927767 22.990 > 85 115 Na 0.66728295039409 0.33035565586616 0.00010003261101 22.990 > 91 116 Na 0.66728295039409 0.83035565586616 0.00010003261101 22.990 > 91 117 Na 0.66728295039409 0.33035565586616 0.33343336594434 22.990 > 91 118 Na 0.66728295039409 0.83035565586616 0.33343336594434 22.990 > 91 119 Na 0.66728295039409 0.33035565586616 0.66676669927767 22.990 > 91 120 Na 0.66728295039409 0.83035565586616 0.66676669927767 22.990 > 91 121 Ge 0.00000000000000 0.16787044044747 0.15514611658692 72.640 > 121 122 Ge 0.00000000000000 0.66787044044747 0.15514611658692 72.640 > 121 123 Ge 0.00000000000000 0.16787044044747 0.48847944992025 72.640 > 121 124 Ge 0.00000000000000 0.66787044044747 0.48847944992025 72.640 > 121 125 Ge 0.00000000000000 0.16787044044747 0.82181278325359 72.640 > 121 126 Ge 0.00000000000000 0.66787044044747 0.82181278325359 72.640 > 121 127 Ge 0.00000000000000 0.33212955955253 0.32181278325359 72.640 > 127 128 Ge 0.00000000000000 0.83212955955253 0.32181278325359 72.640 > 127 129 Ge 0.00000000000000 0.33212955955253 0.65514611658692 72.640 > 127 130 Ge 0.00000000000000 0.83212955955253 0.65514611658692 72.640 > 127 131 Ge 0.00000000000000 0.33212955955253 0.98847944992025 72.640 > 127 132 Ge 0.00000000000000 0.83212955955253 0.98847944992025 72.640 > 127 133 Ge 0.50000000000000 0.41787044044747 0.15514611658692 72.640 > 121 134 Ge 0.50000000000000 0.91787044044747 0.15514611658692 72.640 > 121 135 Ge 0.50000000000000 0.41787044044747 0.48847944992025 72.640 > 121 136 Ge 0.50000000000000 0.91787044044747 0.48847944992025 72.640 > 121 137 Ge 0.50000000000000 0.41787044044747 0.82181278325359 72.640 > 121 138 Ge 0.50000000000000 0.91787044044747 0.82181278325359 72.640 > 121 139 Ge 0.50000000000000 0.08212955955253 0.32181278325359 72.640 > 127 140 Ge 0.50000000000000 0.58212955955253 0.32181278325359 72.640 > 127 141 Ge 0.50000000000000 0.08212955955253 0.65514611658692 72.640 > 127 142 Ge 0.50000000000000 0.58212955955253 0.65514611658692 72.640 > 127 143 Ge 0.50000000000000 0.08212955955253 0.98847944992025 72.640 > 127 144 Ge 0.50000000000000 0.58212955955253 0.98847944992025 72.640 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6790812 0.0000000 0.0000000 0.0000000 2.7207307 0.0000000 0.0000000 0.0000000 2.8041368 -------------------------- Born effective charges -------------------------- 1 O -1.0099436 0.0000000 0.0000000 0.0000000 -1.8819586 -0.5825910 0.0000000 -0.7336265 -2.4421756 2 O -1.0099436 0.0000000 0.0000000 0.0000000 -1.8819586 0.5825910 0.0000000 0.7336265 -2.4421756 3 O -1.8308723 -0.2414196 0.0744592 -0.4071613 -1.5170100 0.1093776 0.1059296 0.0215556 -1.3940749 4 O -1.8308723 -0.2414196 -0.0744592 -0.4071613 -1.5170100 -0.1093776 -0.1059296 -0.0215556 -1.3940749 5 O -1.8308723 0.2414196 -0.0744592 0.4071613 -1.5170100 0.1093776 -0.1059296 0.0215556 -1.3940749 6 O -1.8308723 0.2414196 0.0744592 0.4071613 -1.5170100 -0.1093776 0.1059296 -0.0215556 -1.3940749 7 Na 1.0754079 -0.0628087 0.0022079 0.0970598 1.0321117 -0.0080349 -0.0259646 -0.0243060 1.0342214 8 Na 1.0754079 0.0628087 -0.0022079 -0.0970598 1.0321117 -0.0080349 0.0259646 -0.0243060 1.0342214 9 Na 1.0754079 -0.0628087 -0.0022079 0.0970598 1.0321117 0.0080349 0.0259646 0.0243060 1.0342214 10 Na 1.0754079 0.0628087 0.0022079 -0.0970598 1.0321117 0.0080349 -0.0259646 0.0243060 1.0342214 11 Ge 2.5208724 0.0000000 0.0000000 0.0000000 2.8517551 -0.3749038 0.0000000 0.3187054 3.1618826 12 Ge 2.5208724 0.0000000 0.0000000 0.0000000 2.8517551 0.3749038 0.0000000 -0.3187054 3.1618826 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:03:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:03:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.436523605000000 -3.126137905000000 0.000000000000000 b 5.436523605000000 3.126137905000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.909351499999998 Atomic positions (fractional): 1 O 0.39422915026923 0.60577084973077 0.59918801562603 15.999 2 O 0.60577084973077 0.39422915026923 0.09918801562603 15.999 3 O 0.65928811152383 0.06675833574636 0.52508671447360 15.999 4 O 0.34071188847617 0.93324166425364 0.02508671447360 15.999 5 O 0.93324166425364 0.34071188847617 0.52508671447360 15.999 6 O 0.06675833574636 0.65928811152383 0.02508671447360 15.999 7 Na 0.32799426212641 0.00657163866177 0.50030009783302 22.990 8 Na 0.99342836133823 0.67200573787359 0.50030009783302 22.990 9 Na 0.67200573787359 0.99342836133823 0.00030009783302 22.990 10 Na 0.00657163866177 0.32799426212641 0.00030009783302 22.990 11 Ge 0.66425911910506 0.33574088089494 0.46543834976076 72.640 12 Ge 0.33574088089494 0.66425911910506 0.96543834976076 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.873047209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.504551620000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.728054499999994 Atomic positions (fractional): 1 O 0.00000000000000 0.30288542486539 0.19972933854201 15.999 > 1 2 O 0.00000000000000 0.80288542486539 0.19972933854201 15.999 > 1 3 O 0.00000000000000 0.30288542486539 0.53306267187534 15.999 > 1 4 O 0.00000000000000 0.80288542486539 0.53306267187534 15.999 > 1 5 O 0.00000000000000 0.30288542486539 0.86639600520868 15.999 > 1 6 O 0.00000000000000 0.80288542486539 0.86639600520868 15.999 > 1 7 O 0.00000000000000 0.19711457513461 0.03306267187534 15.999 > 7 8 O 0.00000000000000 0.69711457513461 0.03306267187534 15.999 > 7 9 O 0.00000000000000 0.19711457513461 0.36639600520868 15.999 > 7 10 O 0.00000000000000 0.69711457513461 0.36639600520868 15.999 > 7 11 O 0.00000000000000 0.19711457513461 0.69972933854201 15.999 > 7 12 O 0.00000000000000 0.69711457513461 0.69972933854201 15.999 > 7 13 O 0.36302322363510 0.35186755605563 0.17502890482453 15.999 > 13 14 O 0.36302322363510 0.85186755605563 0.17502890482453 15.999 > 13 15 O 0.36302322363510 0.35186755605563 0.50836223815787 15.999 > 13 16 O 0.36302322363510 0.85186755605563 0.50836223815787 15.999 > 13 17 O 0.36302322363510 0.35186755605563 0.84169557149120 15.999 > 13 18 O 0.36302322363510 0.85186755605563 0.84169557149120 15.999 > 13 19 O 0.13697677636490 0.39813244394437 0.00836223815787 15.999 > 19 20 O 0.13697677636490 0.89813244394437 0.00836223815787 15.999 > 19 21 O 0.13697677636490 0.39813244394437 0.34169557149120 15.999 > 19 22 O 0.13697677636490 0.89813244394437 0.34169557149120 15.999 > 19 23 O 0.13697677636490 0.39813244394437 0.67502890482453 15.999 > 19 24 O 0.13697677636490 0.89813244394437 0.67502890482453 15.999 > 19 25 O 0.13697677636490 0.10186755605563 0.17502890482453 15.999 > 25 26 O 0.13697677636490 0.60186755605563 0.17502890482453 15.999 > 25 27 O 0.13697677636490 0.10186755605563 0.50836223815787 15.999 > 25 28 O 0.13697677636490 0.60186755605563 0.50836223815787 15.999 > 25 29 O 0.13697677636490 0.10186755605563 0.84169557149120 15.999 > 25 30 O 0.13697677636490 0.60186755605563 0.84169557149120 15.999 > 25 31 O 0.36302322363510 0.14813244394437 0.00836223815787 15.999 > 31 32 O 0.36302322363510 0.64813244394437 0.00836223815787 15.999 > 31 33 O 0.36302322363510 0.14813244394437 0.34169557149120 15.999 > 31 34 O 0.36302322363510 0.64813244394437 0.34169557149120 15.999 > 31 35 O 0.36302322363510 0.14813244394437 0.67502890482453 15.999 > 31 36 O 0.36302322363510 0.64813244394437 0.67502890482453 15.999 > 31 37 O 0.50000000000000 0.05288542486539 0.19972933854201 15.999 > 1 38 O 0.50000000000000 0.55288542486539 0.19972933854201 15.999 > 1 39 O 0.50000000000000 0.05288542486539 0.53306267187534 15.999 > 1 40 O 0.50000000000000 0.55288542486539 0.53306267187534 15.999 > 1 41 O 0.50000000000000 0.05288542486539 0.86639600520868 15.999 > 1 42 O 0.50000000000000 0.55288542486539 0.86639600520868 15.999 > 1 43 O 0.50000000000000 0.44711457513461 0.03306267187534 15.999 > 7 44 O 0.50000000000000 0.94711457513461 0.03306267187534 15.999 > 7 45 O 0.50000000000000 0.44711457513461 0.36639600520868 15.999 > 7 46 O 0.50000000000000 0.94711457513461 0.36639600520868 15.999 > 7 47 O 0.50000000000000 0.44711457513461 0.69972933854201 15.999 > 7 48 O 0.50000000000000 0.94711457513461 0.69972933854201 15.999 > 7 49 O 0.86302322363510 0.10186755605563 0.17502890482453 15.999 > 13 50 O 0.86302322363510 0.60186755605563 0.17502890482453 15.999 > 13 51 O 0.86302322363510 0.10186755605563 0.50836223815787 15.999 > 13 52 O 0.86302322363510 0.60186755605563 0.50836223815787 15.999 > 13 53 O 0.86302322363510 0.10186755605563 0.84169557149120 15.999 > 13 54 O 0.86302322363510 0.60186755605563 0.84169557149120 15.999 > 13 55 O 0.63697677636490 0.14813244394437 0.00836223815787 15.999 > 19 56 O 0.63697677636490 0.64813244394437 0.00836223815787 15.999 > 19 57 O 0.63697677636490 0.14813244394437 0.34169557149120 15.999 > 19 58 O 0.63697677636490 0.64813244394437 0.34169557149120 15.999 > 19 59 O 0.63697677636490 0.14813244394437 0.67502890482453 15.999 > 19 60 O 0.63697677636490 0.64813244394437 0.67502890482453 15.999 > 19 61 O 0.63697677636490 0.35186755605563 0.17502890482453 15.999 > 25 62 O 0.63697677636490 0.85186755605563 0.17502890482453 15.999 > 25 63 O 0.63697677636490 0.35186755605563 0.50836223815787 15.999 > 25 64 O 0.63697677636490 0.85186755605563 0.50836223815787 15.999 > 25 65 O 0.63697677636490 0.35186755605563 0.84169557149120 15.999 > 25 66 O 0.63697677636490 0.85186755605563 0.84169557149120 15.999 > 25 67 O 0.86302322363510 0.39813244394437 0.00836223815787 15.999 > 31 68 O 0.86302322363510 0.89813244394437 0.00836223815787 15.999 > 31 69 O 0.86302322363510 0.39813244394437 0.34169557149120 15.999 > 31 70 O 0.86302322363510 0.89813244394437 0.34169557149120 15.999 > 31 71 O 0.86302322363510 0.39813244394437 0.67502890482453 15.999 > 31 72 O 0.86302322363510 0.89813244394437 0.67502890482453 15.999 > 31 73 Na 0.16728295039409 0.41964434413384 0.16676669927767 22.990 > 73 74 Na 0.16728295039409 0.91964434413384 0.16676669927767 22.990 > 73 75 Na 0.16728295039409 0.41964434413384 0.50010003261101 22.990 > 73 76 Na 0.16728295039409 0.91964434413384 0.50010003261101 22.990 > 73 77 Na 0.16728295039409 0.41964434413384 0.83343336594434 22.990 > 73 78 Na 0.16728295039409 0.91964434413384 0.83343336594434 22.990 > 73 79 Na 0.33271704960591 0.16964434413384 0.16676669927767 22.990 > 79 80 Na 0.33271704960591 0.66964434413384 0.16676669927767 22.990 > 79 81 Na 0.33271704960591 0.16964434413384 0.50010003261101 22.990 > 79 82 Na 0.33271704960591 0.66964434413384 0.50010003261101 22.990 > 79 83 Na 0.33271704960591 0.16964434413384 0.83343336594434 22.990 > 79 84 Na 0.33271704960591 0.66964434413384 0.83343336594434 22.990 > 79 85 Na 0.33271704960591 0.33035565586616 0.00010003261101 22.990 > 85 86 Na 0.33271704960591 0.83035565586616 0.00010003261101 22.990 > 85 87 Na 0.33271704960591 0.33035565586616 0.33343336594434 22.990 > 85 88 Na 0.33271704960591 0.83035565586616 0.33343336594434 22.990 > 85 89 Na 0.33271704960591 0.33035565586616 0.66676669927767 22.990 > 85 90 Na 0.33271704960591 0.83035565586616 0.66676669927767 22.990 > 85 91 Na 0.16728295039409 0.08035565586616 0.00010003261101 22.990 > 91 92 Na 0.16728295039409 0.58035565586616 0.00010003261101 22.990 > 91 93 Na 0.16728295039409 0.08035565586616 0.33343336594434 22.990 > 91 94 Na 0.16728295039409 0.58035565586616 0.33343336594434 22.990 > 91 95 Na 0.16728295039409 0.08035565586616 0.66676669927767 22.990 > 91 96 Na 0.16728295039409 0.58035565586616 0.66676669927767 22.990 > 91 97 Na 0.66728295039409 0.16964434413384 0.16676669927767 22.990 > 73 98 Na 0.66728295039409 0.66964434413384 0.16676669927767 22.990 > 73 99 Na 0.66728295039409 0.16964434413384 0.50010003261101 22.990 > 73 100 Na 0.66728295039409 0.66964434413384 0.50010003261101 22.990 > 73 101 Na 0.66728295039409 0.16964434413384 0.83343336594434 22.990 > 73 102 Na 0.66728295039409 0.66964434413384 0.83343336594434 22.990 > 73 103 Na 0.83271704960591 0.41964434413384 0.16676669927767 22.990 > 79 104 Na 0.83271704960591 0.91964434413384 0.16676669927767 22.990 > 79 105 Na 0.83271704960591 0.41964434413384 0.50010003261101 22.990 > 79 106 Na 0.83271704960591 0.91964434413384 0.50010003261101 22.990 > 79 107 Na 0.83271704960591 0.41964434413384 0.83343336594434 22.990 > 79 108 Na 0.83271704960591 0.91964434413384 0.83343336594434 22.990 > 79 109 Na 0.83271704960591 0.08035565586616 0.00010003261101 22.990 > 85 110 Na 0.83271704960591 0.58035565586616 0.00010003261101 22.990 > 85 111 Na 0.83271704960591 0.08035565586616 0.33343336594434 22.990 > 85 112 Na 0.83271704960591 0.58035565586616 0.33343336594434 22.990 > 85 113 Na 0.83271704960591 0.08035565586616 0.66676669927767 22.990 > 85 114 Na 0.83271704960591 0.58035565586616 0.66676669927767 22.990 > 85 115 Na 0.66728295039409 0.33035565586616 0.00010003261101 22.990 > 91 116 Na 0.66728295039409 0.83035565586616 0.00010003261101 22.990 > 91 117 Na 0.66728295039409 0.33035565586616 0.33343336594434 22.990 > 91 118 Na 0.66728295039409 0.83035565586616 0.33343336594434 22.990 > 91 119 Na 0.66728295039409 0.33035565586616 0.66676669927767 22.990 > 91 120 Na 0.66728295039409 0.83035565586616 0.66676669927767 22.990 > 91 121 Ge 0.00000000000000 0.16787044044747 0.15514611658692 72.640 > 121 122 Ge 0.00000000000000 0.66787044044747 0.15514611658692 72.640 > 121 123 Ge 0.00000000000000 0.16787044044747 0.48847944992025 72.640 > 121 124 Ge 0.00000000000000 0.66787044044747 0.48847944992025 72.640 > 121 125 Ge 0.00000000000000 0.16787044044747 0.82181278325359 72.640 > 121 126 Ge 0.00000000000000 0.66787044044747 0.82181278325359 72.640 > 121 127 Ge 0.00000000000000 0.33212955955253 0.32181278325359 72.640 > 127 128 Ge 0.00000000000000 0.83212955955253 0.32181278325359 72.640 > 127 129 Ge 0.00000000000000 0.33212955955253 0.65514611658692 72.640 > 127 130 Ge 0.00000000000000 0.83212955955253 0.65514611658692 72.640 > 127 131 Ge 0.00000000000000 0.33212955955253 0.98847944992025 72.640 > 127 132 Ge 0.00000000000000 0.83212955955253 0.98847944992025 72.640 > 127 133 Ge 0.50000000000000 0.41787044044747 0.15514611658692 72.640 > 121 134 Ge 0.50000000000000 0.91787044044747 0.15514611658692 72.640 > 121 135 Ge 0.50000000000000 0.41787044044747 0.48847944992025 72.640 > 121 136 Ge 0.50000000000000 0.91787044044747 0.48847944992025 72.640 > 121 137 Ge 0.50000000000000 0.41787044044747 0.82181278325359 72.640 > 121 138 Ge 0.50000000000000 0.91787044044747 0.82181278325359 72.640 > 121 139 Ge 0.50000000000000 0.08212955955253 0.32181278325359 72.640 > 127 140 Ge 0.50000000000000 0.58212955955253 0.32181278325359 72.640 > 127 141 Ge 0.50000000000000 0.08212955955253 0.65514611658692 72.640 > 127 142 Ge 0.50000000000000 0.58212955955253 0.65514611658692 72.640 > 127 143 Ge 0.50000000000000 0.08212955955253 0.98847944992025 72.640 > 127 144 Ge 0.50000000000000 0.58212955955253 0.98847944992025 72.640 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6790812 0.0000000 0.0000000 0.0000000 2.7207307 0.0000000 0.0000000 0.0000000 2.8041368 -------------------------- Born effective charges -------------------------- 1 O -1.0099436 0.0000000 0.0000000 0.0000000 -1.8819586 -0.5825910 0.0000000 -0.7336265 -2.4421756 2 O -1.0099436 0.0000000 0.0000000 0.0000000 -1.8819586 0.5825910 0.0000000 0.7336265 -2.4421756 3 O -1.8308723 -0.2414196 0.0744592 -0.4071613 -1.5170100 0.1093776 0.1059296 0.0215556 -1.3940749 4 O -1.8308723 -0.2414196 -0.0744592 -0.4071613 -1.5170100 -0.1093776 -0.1059296 -0.0215556 -1.3940749 5 O -1.8308723 0.2414196 -0.0744592 0.4071613 -1.5170100 0.1093776 -0.1059296 0.0215556 -1.3940749 6 O -1.8308723 0.2414196 0.0744592 0.4071613 -1.5170100 -0.1093776 0.1059296 -0.0215556 -1.3940749 7 Na 1.0754079 -0.0628087 0.0022079 0.0970598 1.0321117 -0.0080349 -0.0259646 -0.0243060 1.0342214 8 Na 1.0754079 0.0628087 -0.0022079 -0.0970598 1.0321117 -0.0080349 0.0259646 -0.0243060 1.0342214 9 Na 1.0754079 -0.0628087 -0.0022079 0.0970598 1.0321117 0.0080349 0.0259646 0.0243060 1.0342214 10 Na 1.0754079 0.0628087 0.0022079 -0.0970598 1.0321117 0.0080349 -0.0259646 0.0243060 1.0342214 11 Ge 2.5208724 0.0000000 0.0000000 0.0000000 2.8517551 -0.3749038 0.0000000 0.3187054 3.1618826 12 Ge 2.5208724 0.0000000 0.0000000 0.0000000 2.8517551 0.3749038 0.0000000 -0.3187054 3.1618826 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 283, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/150) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 150 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 3.929 ( 0.000 0.000 0.000) 0.000 4.353 ( 0.000 0.000 -0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 -0.000) 0.000 5.289 ( 0.000 0.000 0.000) 0.000 5.450 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.787 ( 0.000 0.000 -0.000) 0.000 6.141 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 -0.000) 0.000 6.674 ( 0.000 0.000 -0.000) 0.000 6.954 ( 0.000 0.000 0.000) 0.000 7.113 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.372 ( 0.000 0.000 -0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 -0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 -0.000) 0.000 11.044 ( 0.000 0.000 0.000) 0.000 11.323 ( 0.000 0.000 0.000) 0.000 13.170 ( 0.000 0.000 -0.000) 0.000 15.773 ( 0.000 0.000 0.000) 0.000 20.045 ( 0.000 0.000 -0.000) 0.000 20.978 ( 0.000 0.000 0.000) 0.000 22.973 ( 0.000 0.000 -0.000) 0.000 22.998 ( 0.000 0.000 -0.000) 0.000 23.053 ( 0.000 0.000 0.000) 0.000 23.175 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/150) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 25.512 -17.921 0.000) 31.177 0.720 ( 14.049 -31.968 0.000) 34.918 1.044 ( 22.900 -44.508 0.000) 50.054 3.938 ( -0.099 0.402 0.000) 0.414 4.401 ( 1.247 -3.676 0.000) 3.882 4.685 ( -5.441 35.680 0.000) 36.093 4.885 ( -13.132 8.644 0.000) 15.722 5.045 ( -8.896 6.607 0.000) 11.081 5.137 ( -3.723 4.397 0.000) 5.761 5.554 ( 1.821 -9.037 0.000) 9.219 5.769 ( 13.833 5.620 0.000) 14.932 6.126 ( -0.759 -18.269 0.000) 18.285 6.175 ( 4.696 -3.742 0.000) 6.004 6.397 ( -11.589 6.015 0.000) 13.057 6.815 ( -3.652 2.243 0.000) 4.286 6.901 ( 4.493 0.264 0.000) 4.501 7.126 ( -4.967 1.488 0.000) 5.185 7.188 ( -8.156 -3.911 0.000) 9.046 7.470 ( 0.845 -0.112 0.000) 0.853 7.554 ( 10.028 2.448 0.000) 10.322 8.126 ( 20.873 9.676 0.000) 23.007 8.491 ( 1.555 -6.636 0.000) 6.815 8.980 ( -0.055 2.135 0.000) 2.135 9.432 ( 0.551 0.341 0.000) 0.649 10.313 ( -0.840 2.657 0.000) 2.787 10.862 ( -47.237 -27.550 0.000) 54.684 11.037 ( 3.498 2.744 0.000) 4.446 11.826 ( 30.289 14.777 0.000) 33.702 13.178 ( 0.150 -0.745 0.000) 0.760 16.179 ( -16.027 -9.833 0.000) 18.803 20.046 ( -0.311 -0.276 0.000) 0.415 22.018 ( -73.520 -42.489 0.000) 84.914 22.973 ( -0.233 -0.343 0.000) 0.415 23.071 ( -1.465 -2.886 0.000) 3.236 23.193 ( 1.331 -1.061 0.000) 1.702 24.011 ( 68.092 42.085 0.000) 80.048 ======================= Grid point 2 (3/150) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 23.414 -15.998 0.000) 28.358 1.417 ( 13.222 -30.452 0.000) 33.199 2.019 ( 18.075 -40.041 0.000) 43.932 3.783 ( -16.740 19.020 0.000) 25.338 3.973 ( -0.808 24.437 0.000) 24.450 4.417 ( 1.348 13.642 0.000) 13.708 4.590 ( -12.938 3.572 0.000) 13.422 4.876 ( -3.905 2.544 0.000) 4.661 5.061 ( -2.907 -0.920 0.000) 3.049 5.734 ( 7.132 -0.519 0.000) 7.151 5.798 ( 9.911 -1.152 0.000) 9.977 6.152 ( -5.495 5.245 0.000) 7.596 6.239 ( 1.214 1.480 0.000) 1.914 6.492 ( -2.558 -18.498 0.000) 18.674 6.658 ( -5.511 7.571 0.000) 9.364 6.855 ( -5.806 4.310 0.000) 7.231 7.060 ( -0.931 2.493 0.000) 2.662 7.173 ( 2.142 2.370 0.000) 3.195 7.467 ( -2.083 0.284 0.000) 2.102 7.642 ( 4.737 -3.439 0.000) 5.854 8.160 ( 9.144 4.726 0.000) 10.293 8.662 ( 1.813 -9.911 0.000) 10.075 8.934 ( 0.637 2.879 0.000) 2.948 9.433 ( 1.094 0.272 0.000) 1.128 10.233 ( -1.343 5.046 0.000) 5.221 10.882 ( -25.586 -16.688 0.000) 30.548 11.020 ( 4.869 3.808 0.000) 6.181 11.882 ( 14.067 4.801 0.000) 14.864 13.197 ( 0.235 -1.158 0.000) 1.181 16.194 ( -6.597 -4.729 0.000) 8.116 20.048 ( -0.410 -0.450 0.000) 0.609 22.023 ( -32.007 -18.669 0.000) 37.054 22.986 ( -0.156 -1.361 0.000) 1.370 23.121 ( -3.131 -5.179 0.000) 6.052 23.230 ( 2.191 -0.771 0.000) 2.323 23.939 ( 30.710 22.659 0.000) 38.164 ======================= Grid point 3 (4/150) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 15.767 -8.325 0.000) 17.830 2.055 ( 11.373 -26.392 0.000) 28.738 2.612 ( -5.582 -5.834 0.000) 8.074 3.352 ( 10.757 -0.789 0.000) 10.785 3.628 ( -14.667 13.832 0.000) 20.160 4.138 ( -0.577 13.946 0.000) 13.958 4.343 ( -8.249 10.976 0.000) 13.731 4.862 ( -0.284 1.949 0.000) 1.970 5.110 ( 0.687 -5.275 0.000) 5.319 5.751 ( 6.056 6.706 0.000) 9.036 5.947 ( 3.651 -3.592 0.000) 5.122 6.056 ( 1.156 -4.788 0.000) 4.926 6.279 ( 2.069 -2.766 0.000) 3.454 6.399 ( -12.671 8.342 0.000) 15.171 6.710 ( -3.209 5.751 0.000) 6.585 6.763 ( -0.083 -8.260 0.000) 8.260 6.945 ( -6.369 3.294 0.000) 7.171 7.197 ( 7.223 1.520 0.000) 7.381 7.415 ( -2.134 2.335 0.000) 3.163 7.745 ( 2.428 -3.383 0.000) 4.164 8.124 ( 1.241 5.006 0.000) 5.157 8.855 ( 1.648 -9.072 0.000) 9.221 8.900 ( 1.339 2.183 0.000) 2.561 9.452 ( 1.764 -0.847 0.000) 1.957 10.115 ( -1.738 6.061 0.000) 6.306 10.924 ( -14.247 -10.353 0.000) 17.612 11.008 ( 3.500 2.161 0.000) 4.113 11.933 ( 7.461 2.004 0.000) 7.725 13.220 ( 0.213 -1.035 0.000) 1.057 16.210 ( -3.009 -2.539 0.000) 3.937 20.053 ( -0.295 -0.424 0.000) 0.517 22.027 ( -15.576 -9.104 0.000) 18.041 23.017 ( 0.032 -2.045 0.000) 2.045 23.185 ( -4.484 -6.132 0.000) 7.597 23.258 ( 2.632 0.516 0.000) 2.683 23.844 ( 16.208 14.514 0.000) 21.756 ======================= Grid point 4 (5/150) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -1.655 6.666 0.000) 6.869 2.520 ( 5.248 -12.700 0.000) 13.741 2.579 ( 6.067 -3.656 0.000) 7.084 3.234 ( -13.558 9.786 0.000) 16.721 3.741 ( 8.028 -9.160 0.000) 12.180 3.920 ( 0.560 4.341 0.000) 4.377 4.153 ( -1.537 4.061 0.000) 4.342 4.756 ( -2.544 5.721 0.000) 6.261 5.216 ( 1.505 -3.420 0.000) 3.737 5.637 ( 0.258 4.822 0.000) 4.829 6.079 ( 4.081 -2.112 0.000) 4.595 6.145 ( -7.904 3.684 0.000) 8.720 6.248 ( 4.909 -9.606 0.000) 10.788 6.380 ( 1.581 -4.611 0.000) 4.874 6.558 ( -3.407 5.639 0.000) 6.588 6.662 ( -2.548 10.488 0.000) 10.793 6.997 ( -3.095 -7.320 0.000) 7.947 7.213 ( 2.833 2.578 0.000) 3.830 7.380 ( 0.775 0.575 0.000) 0.965 7.798 ( 0.807 -0.742 0.000) 1.096 8.047 ( -1.162 2.259 0.000) 2.540 8.881 ( 0.621 0.958 0.000) 1.142 8.990 ( 0.755 -3.836 0.000) 3.909 9.490 ( 1.106 -1.097 0.000) 1.558 10.007 ( -1.025 3.323 0.000) 3.478 10.946 ( -3.436 -2.371 0.000) 4.175 11.016 ( 0.030 -0.622 0.000) 0.622 11.961 ( 2.436 0.633 0.000) 2.516 13.235 ( 0.086 -0.413 0.000) 0.422 16.220 ( -0.884 -0.823 0.000) 1.208 20.056 ( -0.099 -0.175 0.000) 0.201 22.028 ( -4.773 -2.776 0.000) 5.521 23.048 ( 0.068 -1.084 0.000) 1.086 23.238 ( -4.212 -4.651 0.000) 6.275 23.263 ( 3.030 2.136 0.000) 3.707 23.772 ( 5.503 5.572 0.000) 7.831 ======================= Grid point 10 (6/150) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 22.761 0.000 0.000) 22.761 0.645 ( 31.232 0.000 0.000) 31.232 1.181 ( 56.247 0.000 0.000) 56.247 3.940 ( -3.840 -0.000 0.000) 3.840 4.383 ( 2.375 0.000 0.000) 2.375 4.834 ( -23.583 -0.000 0.000) 23.583 4.843 ( -12.098 -0.000 0.000) 12.098 5.012 ( -9.728 -0.000 0.000) 9.728 5.289 ( 8.421 0.000 0.000) 8.421 5.420 ( -4.665 -0.000 0.000) 4.665 5.789 ( -6.421 -0.000 0.000) 6.421 6.028 ( 10.792 0.000 0.000) 10.792 6.260 ( 12.096 0.000 0.000) 12.096 6.494 ( 8.934 0.000 0.000) 8.934 6.677 ( -0.235 -0.000 0.000) 0.235 6.980 ( 1.787 0.000 0.000) 1.787 7.006 ( -14.503 -0.000 0.000) 14.503 7.115 ( 0.281 0.000 0.000) 0.281 7.486 ( -0.842 -0.000 0.000) 0.842 7.587 ( -2.182 -0.000 0.000) 2.182 8.455 ( 3.117 0.000 0.000) 3.117 8.645 ( -5.287 -0.000 0.000) 5.287 8.997 ( -0.236 -0.000 0.000) 0.236 9.443 ( 1.112 0.000 0.000) 1.112 9.949 ( -3.341 -0.000 0.000) 3.341 10.332 ( -1.571 -0.000 0.000) 1.571 11.126 ( 7.648 0.000 0.000) 7.648 12.241 ( -1.115 -0.000 0.000) 1.115 13.174 ( 0.399 0.000 0.000) 0.399 15.784 ( 1.018 0.000 0.000) 1.018 20.046 ( 0.079 0.000 0.000) 0.079 21.011 ( 3.144 0.000 0.000) 3.144 22.964 ( -1.071 -0.000 0.000) 1.071 23.029 ( -2.067 -0.000 0.000) 2.067 23.202 ( 2.609 0.000 0.000) 2.609 24.951 ( -2.087 -0.000 0.000) 2.087 ======================= Grid point 11 (7/150) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 16.166 -23.813 0.000) 28.782 1.150 ( 25.096 -19.386 0.000) 31.711 1.860 ( 46.282 -13.964 0.000) 48.342 3.747 ( -24.457 6.579 0.000) 25.326 4.417 ( -11.360 3.720 0.000) 11.953 4.465 ( -1.781 18.204 0.000) 18.291 4.671 ( -3.740 10.894 0.000) 11.518 4.801 ( -5.200 0.986 0.000) 5.293 5.179 ( 1.902 8.304 0.000) 8.519 5.599 ( 3.022 -12.474 0.000) 12.835 5.927 ( -2.778 -12.614 0.000) 12.917 6.093 ( 1.161 -2.525 0.000) 2.779 6.249 ( 3.265 8.838 0.000) 9.422 6.454 ( 11.413 8.736 0.000) 14.373 6.702 ( -9.150 4.991 0.000) 10.423 6.845 ( -6.522 0.695 0.000) 6.559 7.063 ( 2.812 -4.182 0.000) 5.039 7.149 ( -1.939 -3.793 0.000) 4.260 7.464 ( -2.098 1.208 0.000) 2.421 7.584 ( -1.976 -3.208 0.000) 3.767 8.410 ( 2.879 12.292 0.000) 12.625 8.546 ( 3.411 -5.832 0.000) 6.756 8.982 ( 0.486 1.550 0.000) 1.625 9.455 ( 1.695 0.392 0.000) 1.740 10.217 ( -16.428 -23.568 0.000) 28.729 10.292 ( -3.986 0.498 0.000) 4.017 11.177 ( 9.678 4.234 0.000) 10.564 12.120 ( 4.585 8.666 0.000) 9.804 13.184 ( 0.481 -0.623 0.000) 0.787 15.953 ( -5.182 -12.542 0.000) 13.571 20.042 ( 0.052 0.152 0.000) 0.160 21.335 ( -9.657 -25.790 0.000) 27.539 22.955 ( -2.107 -0.984 0.000) 2.325 23.025 ( -2.396 -1.979 0.000) 3.108 23.241 ( 3.285 -0.694 0.000) 3.358 24.651 ( 10.103 25.452 0.000) 27.383 ======================= Grid point 12 (8/150) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 13.640 -18.309 0.000) 22.831 1.766 ( 19.672 -22.981 0.000) 30.250 2.461 ( 17.895 -8.844 0.000) 19.962 3.288 ( -29.402 7.134 0.000) 30.255 3.959 ( 1.854 21.125 0.000) 21.206 4.292 ( -8.839 4.513 0.000) 9.924 4.478 ( -1.020 15.183 0.000) 15.218 4.796 ( -1.324 -2.821 0.000) 3.117 5.183 ( 12.758 0.967 0.000) 12.795 5.834 ( 3.891 -7.599 0.000) 8.538 6.002 ( 8.053 2.436 0.000) 8.414 6.047 ( -4.968 5.032 0.000) 7.072 6.267 ( -8.345 -7.548 0.000) 11.252 6.349 ( -4.098 5.997 0.000) 7.264 6.577 ( 1.535 -1.846 0.000) 2.401 6.763 ( -3.023 3.773 0.000) 4.835 7.038 ( -1.698 6.801 0.000) 7.009 7.225 ( 0.644 -3.508 0.000) 3.566 7.408 ( -3.107 1.075 0.000) 3.288 7.659 ( -1.849 -6.346 0.000) 6.610 8.243 ( -2.579 8.104 0.000) 8.504 8.716 ( 3.217 -8.884 0.000) 9.449 8.961 ( 1.956 2.202 0.000) 2.945 9.468 ( 2.226 0.237 0.000) 2.239 10.191 ( -2.651 4.858 0.000) 5.534 10.454 ( -15.766 -20.654 0.000) 25.984 11.178 ( 9.813 6.592 0.000) 11.821 12.056 ( 3.934 4.209 0.000) 5.761 13.204 ( 0.410 -1.010 0.000) 1.090 16.082 ( -3.784 -7.629 0.000) 8.516 20.044 ( 0.014 -0.263 0.000) 0.264 21.634 ( -8.528 -18.862 0.000) 20.700 22.961 ( -3.202 -2.862 0.000) 4.295 23.045 ( -2.903 -3.179 0.000) 4.305 23.283 ( 2.866 -0.164 0.000) 2.871 24.344 ( 11.079 21.521 0.000) 24.205 ======================= Grid point 13 (9/150) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -1.105 5.539 0.000) 5.649 2.326 ( 14.126 -18.690 0.000) 23.427 2.503 ( -2.579 -5.512 0.000) 6.086 2.996 ( -28.595 -0.316 0.000) 28.597 3.894 ( 16.805 2.688 0.000) 17.019 4.129 ( -0.311 14.073 0.000) 14.076 4.207 ( 1.881 3.928 0.000) 4.355 4.804 ( -1.660 2.131 0.000) 2.701 5.253 ( 7.834 4.853 0.000) 9.216 5.793 ( 1.639 8.297 0.000) 8.458 6.080 ( -5.483 -2.171 0.000) 5.897 6.117 ( 6.033 -3.288 0.000) 6.871 6.149 ( -0.302 -5.248 0.000) 5.256 6.330 ( 2.705 -0.294 0.000) 2.721 6.629 ( -3.854 5.497 0.000) 6.713 6.764 ( -1.472 -12.442 0.000) 12.529 6.834 ( -3.744 11.781 0.000) 12.361 7.252 ( -1.063 0.207 0.000) 1.083 7.371 ( -3.148 -0.178 0.000) 3.153 7.743 ( -2.438 -4.928 0.000) 5.498 8.075 ( -5.442 4.892 0.000) 7.317 8.897 ( 2.326 -6.487 0.000) 6.891 8.940 ( 2.202 1.731 0.000) 2.801 9.491 ( 1.854 -0.257 0.000) 1.871 10.070 ( -2.401 5.221 0.000) 5.746 10.647 ( -10.742 -16.141 0.000) 19.389 11.157 ( 8.868 6.068 0.000) 10.746 12.026 ( 1.914 3.041 0.000) 3.593 13.225 ( 0.258 -0.856 0.000) 0.894 16.160 ( -1.758 -4.472 0.000) 4.805 20.051 ( 0.075 -0.382 0.000) 0.389 21.853 ( -2.277 -12.489 0.000) 12.695 22.991 ( -4.482 -4.815 0.000) 6.578 23.072 ( -3.847 -3.546 0.000) 5.232 23.300 ( 1.661 0.787 0.000) 1.838 24.100 ( 8.763 17.520 0.000) 19.590 ======================= Grid point 14 (10/150) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -2.742 0.671 0.000) 2.823 2.488 ( -16.910 2.772 0.000) 17.136 2.655 ( 4.578 -0.283 0.000) 4.587 2.940 ( -4.249 -19.445 0.000) 19.904 3.815 ( -0.563 4.659 0.000) 4.693 4.036 ( 0.061 -0.065 0.000) 0.089 4.262 ( 15.590 13.840 0.000) 20.847 4.698 ( -2.372 1.152 0.000) 2.637 5.233 ( -0.236 0.666 0.000) 0.707 5.692 ( 5.433 6.103 0.000) 8.171 6.067 ( 1.247 -4.482 0.000) 4.652 6.188 ( 5.767 2.649 0.000) 6.346 6.355 ( 4.052 -3.619 0.000) 5.433 6.380 ( -1.624 1.516 0.000) 2.222 6.494 ( -2.563 -2.473 0.000) 3.562 6.607 ( -1.691 6.323 0.000) 6.545 6.949 ( -4.350 -10.400 0.000) 11.274 7.212 ( -0.581 3.872 0.000) 3.915 7.337 ( -4.119 -1.339 0.000) 4.331 7.768 ( -4.011 -1.680 0.000) 4.349 8.005 ( -2.471 -1.641 0.000) 2.966 8.895 ( 0.668 2.346 0.000) 2.439 9.018 ( 1.839 -1.645 0.000) 2.468 9.499 ( -0.220 0.751 0.000) 0.783 9.988 ( -0.741 1.170 0.000) 1.385 10.796 ( -6.223 -10.060 0.000) 11.829 11.157 ( 8.386 3.551 0.000) 9.107 11.974 ( -0.857 3.548 0.000) 3.650 13.237 ( 0.079 -0.218 0.000) 0.231 16.209 ( -0.191 -2.345 0.000) 2.353 20.057 ( 0.164 -0.209 0.000) 0.266 22.044 ( 5.677 -7.293 0.000) 9.242 23.034 ( -4.701 -4.980 0.000) 6.848 23.084 ( -6.671 -3.640 0.000) 7.599 23.294 ( 0.645 0.986 0.000) 1.178 23.896 ( 5.425 13.764 0.000) 14.794 ======================= Grid point 15 (11/150) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -6.964 4.925 0.000) 8.529 2.428 ( -3.257 18.146 0.000) 18.436 2.450 ( -4.398 -16.701 0.000) 17.270 3.218 ( -6.427 -5.812 0.000) 8.665 3.813 ( 6.820 8.146 0.000) 10.624 3.982 ( 5.298 2.026 0.000) 5.672 4.184 ( 1.034 -9.387 0.000) 9.444 4.756 ( -2.737 -5.396 0.000) 6.051 5.216 ( 1.826 0.621 0.000) 1.929 5.709 ( 6.531 3.898 0.000) 7.606 6.025 ( -0.246 7.407 0.000) 7.411 6.153 ( -2.842 8.072 0.000) 8.557 6.342 ( 2.532 -1.799 0.000) 3.106 6.346 ( 3.892 -1.970 0.000) 4.362 6.628 ( 3.309 -7.014 0.000) 7.755 6.689 ( 0.701 -9.075 0.000) 9.102 7.025 ( -11.362 -6.713 0.000) 13.197 7.102 ( 2.440 7.143 0.000) 7.548 7.376 ( 2.117 -3.397 0.000) 4.003 7.733 ( -5.657 0.151 0.000) 5.659 8.042 ( -1.223 -3.475 0.000) 3.684 8.870 ( -0.493 0.428 0.000) 0.653 8.992 ( 0.841 5.919 0.000) 5.979 9.461 ( -1.478 1.884 0.000) 2.395 10.025 ( 0.644 -4.767 0.000) 4.811 10.877 ( -3.208 -4.802 0.000) 5.775 11.205 ( 10.585 2.113 0.000) 10.794 11.878 ( -5.189 3.958 0.000) 6.527 13.234 ( -0.054 0.580 0.000) 0.582 16.242 ( 1.031 -0.894 0.000) 1.365 20.061 ( 0.258 0.082 0.000) 0.270 22.239 ( 15.205 -3.132 0.000) 15.525 23.045 ( -0.558 1.468 0.000) 1.570 23.079 ( -14.259 -8.547 0.000) 16.625 23.284 ( 0.601 0.919 0.000) 1.098 23.717 ( -0.184 9.636 0.000) 9.638 ======================= Grid point 16 (12/150) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -13.318 17.573 0.000) 22.050 1.890 ( -4.258 31.333 0.000) 31.621 2.661 ( -0.155 36.163 0.000) 36.163 3.185 ( -2.481 -39.805 0.000) 39.882 3.895 ( 6.034 -3.131 0.000) 6.798 4.162 ( 1.900 -15.009 0.000) 15.129 4.465 ( 3.197 -16.242 0.000) 16.554 4.793 ( -3.259 -4.022 0.000) 5.177 5.275 ( 12.292 4.093 0.000) 12.956 5.539 ( -12.255 4.155 0.000) 12.940 5.917 ( -0.918 9.697 0.000) 9.740 6.129 ( 5.605 -4.530 0.000) 7.207 6.259 ( 0.683 3.354 0.000) 3.423 6.549 ( 1.227 -7.701 0.000) 7.798 6.721 ( -0.466 3.674 0.000) 3.704 6.811 ( 1.570 -5.574 0.000) 5.791 7.041 ( 1.161 -3.457 0.000) 3.647 7.066 ( -1.085 -3.603 0.000) 3.762 7.454 ( 1.828 -1.858 0.000) 2.606 7.640 ( -6.391 3.177 0.000) 7.137 8.070 ( -2.127 -1.007 0.000) 2.353 8.840 ( 0.087 10.095 0.000) 10.095 8.881 ( -0.716 -1.624 0.000) 1.775 9.426 ( -0.669 0.561 0.000) 0.873 10.138 ( 0.547 -6.407 0.000) 6.430 10.918 ( -1.761 -3.103 0.000) 3.568 11.295 ( 16.293 3.154 0.000) 16.595 11.722 ( -12.071 3.922 0.000) 12.692 13.217 ( -0.079 1.136 0.000) 1.139 16.265 ( 1.800 -0.194 0.000) 1.810 20.060 ( 0.256 0.323 0.000) 0.412 22.487 ( 27.788 -0.945 0.000) 27.804 22.997 ( -6.308 -0.350 0.000) 6.318 23.070 ( -12.885 -5.686 0.000) 14.084 23.269 ( 1.485 2.015 0.000) 2.503 23.533 ( -9.113 6.410 0.000) 11.142 ======================= Grid point 17 (13/150) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 0.000 21.588 0.000) 21.588 1.273 ( 0.000 34.674 0.000) 34.674 1.838 ( 0.000 49.336 0.000) 49.336 3.934 ( -0.000 -5.978 0.000) 5.978 3.986 ( -0.000 -38.211 0.000) 38.211 4.399 ( -0.000 -6.491 0.000) 6.491 4.776 ( -0.000 -15.631 0.000) 15.631 4.879 ( -0.000 -6.995 0.000) 6.995 5.195 ( 0.000 6.005 0.000) 6.005 5.553 ( -0.000 -8.710 0.000) 8.710 5.720 ( 0.000 10.795 0.000) 10.795 6.174 ( 0.000 1.730 0.000) 1.730 6.325 ( -0.000 -7.647 0.000) 7.647 6.506 ( 0.000 17.103 0.000) 17.103 6.691 ( -0.000 -7.800 0.000) 7.800 6.895 ( -0.000 -1.841 0.000) 1.841 7.088 ( -0.000 -3.390 0.000) 3.390 7.227 ( -0.000 -8.117 0.000) 8.117 7.449 ( 0.000 2.210 0.000) 2.210 7.526 ( 0.000 4.602 0.000) 4.602 8.040 ( 0.000 2.107 0.000) 2.107 8.644 ( 0.000 10.698 0.000) 10.698 8.928 ( -0.000 -3.317 0.000) 3.317 9.423 ( -0.000 -0.311 0.000) 0.311 10.246 ( -0.000 -5.157 0.000) 5.157 10.962 ( -0.000 -3.177 0.000) 3.177 11.435 ( -0.000 -0.595 0.000) 0.595 11.478 ( 0.000 8.028 0.000) 8.028 13.195 ( 0.000 1.198 0.000) 1.198 16.283 ( -0.000 -0.219 0.000) 0.219 20.054 ( 0.000 0.419 0.000) 0.419 22.876 ( -0.000 -5.902 0.000) 5.902 22.882 ( -0.000 -2.964 0.000) 2.964 23.033 ( -0.000 -1.260 0.000) 1.260 23.250 ( 0.000 1.933 0.000) 1.933 23.293 ( 0.000 9.807 0.000) 9.807 ======================= Grid point 20 (14/150) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 20.502 0.000 0.000) 20.502 1.267 ( 29.311 0.000 0.000) 29.311 2.264 ( 48.676 0.000 0.000) 48.676 3.482 ( -38.415 -0.000 0.000) 38.415 4.351 ( -9.578 -0.000 0.000) 9.578 4.686 ( 0.738 0.000 0.000) 0.738 4.735 ( 8.436 0.000 0.000) 8.436 4.768 ( -10.667 -0.000 0.000) 10.667 5.325 ( -2.985 -0.000 0.000) 2.985 5.416 ( 3.119 0.000 0.000) 3.119 5.657 ( -4.327 -0.000 0.000) 4.327 6.166 ( 5.004 0.000 0.000) 5.004 6.473 ( 6.821 0.000 0.000) 6.821 6.577 ( -14.615 -0.000 0.000) 14.615 6.734 ( -6.320 -0.000 0.000) 6.320 6.750 ( 13.404 0.000 0.000) 13.404 6.996 ( -0.253 -0.000 0.000) 0.253 7.125 ( 0.387 0.000 0.000) 0.387 7.382 ( -7.753 -0.000 0.000) 7.753 7.568 ( -0.741 -0.000 0.000) 0.741 8.491 ( -9.257 -0.000 0.000) 9.257 8.531 ( 3.850 0.000 0.000) 3.850 8.993 ( -0.101 -0.000 0.000) 0.101 9.479 ( 2.423 0.000 0.000) 2.423 9.860 ( -4.966 -0.000 0.000) 4.966 10.285 ( -2.858 -0.000 0.000) 2.858 11.331 ( 11.757 0.000 0.000) 11.757 12.204 ( -2.561 -0.000 0.000) 2.561 13.185 ( 0.635 0.000 0.000) 0.635 15.811 ( 1.482 0.000 0.000) 1.482 20.048 ( 0.126 0.000 0.000) 0.126 21.100 ( 5.269 0.000 0.000) 5.269 22.911 ( -4.198 -0.000 0.000) 4.198 22.993 ( -1.002 -0.000 0.000) 1.002 23.275 ( 4.343 0.000 0.000) 4.343 24.892 ( -3.509 -0.000 0.000) 3.509 ======================= Grid point 21 (15/150) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 14.712 -17.865 0.000) 23.143 1.675 ( 25.200 -12.560 0.000) 28.156 2.695 ( 28.558 4.501 0.000) 28.911 3.032 ( -36.130 2.419 0.000) 36.211 4.173 ( -14.373 5.878 0.000) 15.529 4.364 ( -2.255 14.699 0.000) 14.871 4.760 ( 6.010 12.021 0.000) 13.440 4.823 ( 5.608 0.679 0.000) 5.649 5.278 ( 9.480 -2.983 0.000) 9.939 5.651 ( 0.012 -15.292 0.000) 15.292 5.776 ( -5.731 -13.479 0.000) 14.647 6.174 ( 3.163 4.252 0.000) 5.300 6.284 ( -7.338 13.337 0.000) 15.222 6.404 ( -3.261 4.799 0.000) 5.802 6.682 ( 0.030 4.359 0.000) 4.359 6.805 ( 2.596 4.004 0.000) 4.772 7.093 ( -1.492 -8.458 0.000) 8.589 7.114 ( 1.016 2.305 0.000) 2.519 7.384 ( -5.506 -4.020 0.000) 6.818 7.532 ( -3.104 -0.451 0.000) 3.136 8.322 ( -8.585 6.750 0.000) 10.921 8.620 ( 3.481 -5.482 0.000) 6.494 8.998 ( 0.787 -0.010 0.000) 0.787 9.502 ( 2.870 0.500 0.000) 2.914 9.973 ( -8.059 -16.585 0.000) 18.439 10.230 ( -3.171 2.701 0.000) 4.165 11.406 ( 11.974 5.297 0.000) 13.093 12.138 ( -1.691 3.298 0.000) 3.706 13.196 ( 0.587 -0.470 0.000) 0.752 15.906 ( -0.527 -7.782 0.000) 7.800 20.046 ( 0.224 0.233 0.000) 0.323 21.290 ( 2.156 -13.805 0.000) 13.972 22.875 ( -5.117 -1.325 0.000) 5.286 22.996 ( -0.613 -1.168 0.000) 1.319 23.319 ( 4.109 0.245 0.000) 4.116 24.726 ( -0.037 13.417 0.000) 13.417 ======================= Grid point 22 (16/150) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 2.073 -10.998 0.000) 11.192 2.169 ( 17.646 -16.211 0.000) 23.962 2.436 ( -18.115 5.869 0.000) 19.042 2.837 ( -9.687 9.624 0.000) 13.655 3.977 ( -8.314 2.061 0.000) 8.565 4.301 ( 14.944 1.604 0.000) 15.030 4.472 ( 0.232 18.699 0.000) 18.700 4.878 ( 10.405 2.575 0.000) 10.719 5.462 ( 10.708 2.802 0.000) 11.069 5.853 ( -13.691 -10.372 0.000) 17.176 5.883 ( -0.962 -1.604 0.000) 1.871 6.049 ( -2.165 -2.188 0.000) 3.078 6.139 ( 5.058 1.621 0.000) 5.311 6.386 ( 2.822 -0.259 0.000) 2.834 6.620 ( -1.224 -0.055 0.000) 1.225 6.721 ( -0.412 5.902 0.000) 5.917 7.011 ( -0.011 10.690 0.000) 10.690 7.191 ( -2.583 -5.036 0.000) 5.660 7.333 ( -4.539 1.488 0.000) 4.776 7.580 ( -6.087 -8.058 0.000) 10.099 8.107 ( -8.287 6.773 0.000) 10.702 8.781 ( 2.872 -8.457 0.000) 8.932 8.998 ( 1.324 1.512 0.000) 2.010 9.520 ( 2.755 0.763 0.000) 2.859 10.132 ( -2.875 4.527 0.000) 5.362 10.222 ( -7.575 -19.526 0.000) 20.944 11.393 ( 10.356 8.649 0.000) 13.493 12.078 ( -1.136 1.970 0.000) 2.274 13.213 ( 0.388 -0.816 0.000) 0.904 16.035 ( -1.163 -7.282 0.000) 7.375 20.047 ( 0.245 -0.127 0.000) 0.276 21.578 ( 1.145 -16.179 0.000) 16.220 22.853 ( -6.111 -2.652 0.000) 6.662 23.019 ( -0.360 -1.819 0.000) 1.855 23.341 ( 2.677 1.336 0.000) 2.992 24.472 ( 2.895 16.150 0.000) 16.408 ======================= Grid point 23 (17/150) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -14.184 6.104 0.000) 15.442 2.418 ( -11.771 7.708 0.000) 14.071 2.551 ( 0.147 -14.545 0.000) 14.545 2.646 ( 8.451 -12.562 0.000) 15.141 3.863 ( -7.980 1.657 0.000) 8.150 4.116 ( -0.762 14.407 0.000) 14.428 4.531 ( 13.668 -1.966 0.000) 13.809 4.878 ( 9.543 13.523 0.000) 16.551 5.319 ( -1.148 10.242 0.000) 10.306 5.839 ( 1.253 0.920 0.000) 1.555 5.944 ( 1.024 -7.703 0.000) 7.771 6.216 ( 2.225 -8.988 0.000) 9.260 6.277 ( 7.090 -8.657 0.000) 11.190 6.373 ( 1.023 3.569 0.000) 3.713 6.576 ( -1.015 9.802 0.000) 9.854 6.681 ( -7.476 -8.081 0.000) 11.008 6.770 ( -2.578 12.039 0.000) 12.312 7.252 ( -2.837 -3.734 0.000) 4.689 7.262 ( -0.444 1.725 0.000) 1.781 7.641 ( -7.646 -5.997 0.000) 9.717 7.960 ( -4.439 1.328 0.000) 4.633 8.946 ( 2.144 -3.359 0.000) 3.985 8.973 ( 0.937 -0.492 0.000) 1.058 9.523 ( 1.130 1.485 0.000) 1.866 10.026 ( -1.671 4.072 0.000) 4.401 10.490 ( -4.834 -17.171 0.000) 17.838 11.332 ( 7.289 7.536 0.000) 10.485 12.029 ( -0.981 2.753 0.000) 2.922 13.230 ( 0.176 -0.684 0.000) 0.706 16.137 ( -0.565 -5.202 0.000) 5.233 20.054 ( 0.193 -0.318 0.000) 0.372 21.884 ( 3.749 -15.473 0.000) 15.921 22.841 ( -7.672 -3.706 0.000) 8.520 23.047 ( -0.167 -1.428 0.000) 1.438 23.328 ( 1.022 2.036 0.000) 2.278 24.219 ( 3.370 15.924 0.000) 16.277 ======================= Grid point 24 (18/150) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -0.837 -9.152 0.000) 9.190 2.103 ( -12.899 1.658 0.000) 13.005 2.732 ( 2.175 8.928 0.000) 9.189 2.963 ( 2.064 -19.022 0.000) 19.134 3.807 ( -0.121 -1.975 0.000) 1.979 3.999 ( -1.663 -2.931 0.000) 3.370 4.494 ( 5.169 28.623 0.000) 29.086 4.665 ( -0.938 -1.837 0.000) 2.062 5.218 ( -0.656 1.692 0.000) 1.815 5.895 ( 11.745 1.997 0.000) 11.914 6.145 ( 5.585 -6.009 0.000) 8.203 6.255 ( -0.322 5.893 0.000) 5.902 6.312 ( -6.237 11.435 0.000) 13.026 6.376 ( -0.160 -3.627 0.000) 3.630 6.527 ( 6.560 -9.569 0.000) 11.602 6.596 ( 0.062 1.713 0.000) 1.714 6.744 ( -13.406 -8.829 0.000) 16.052 7.184 ( -2.053 2.189 0.000) 3.001 7.364 ( 6.305 -3.052 0.000) 7.005 7.639 ( -7.272 -3.111 0.000) 7.909 7.963 ( -1.230 -3.654 0.000) 3.856 8.904 ( 0.205 3.310 0.000) 3.316 9.054 ( 1.272 -0.948 0.000) 1.586 9.488 ( -0.548 2.460 0.000) 2.520 9.979 ( -0.212 -0.343 0.000) 0.403 10.713 ( -1.959 -11.318 0.000) 11.487 11.299 ( 4.300 2.320 0.000) 4.886 11.945 ( -1.325 5.687 0.000) 5.840 13.238 ( 0.032 -0.087 0.000) 0.093 16.209 ( 0.056 -3.237 0.000) 3.238 20.061 ( 0.124 -0.241 0.000) 0.271 22.205 ( 7.544 -14.243 0.000) 16.117 22.821 ( -9.262 -3.667 0.000) 9.961 23.059 ( -0.057 0.116 0.000) 0.130 23.302 ( 0.193 1.288 0.000) 1.303 23.972 ( 1.902 15.063 0.000) 15.183 ======================= Grid point 25 (19/150) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 14.343 0.000) 14.343 2.394 ( 0.000 26.221 0.000) 26.221 2.415 ( -0.000 -37.768 0.000) 37.768 3.150 ( 0.000 6.895 0.000) 6.895 3.870 ( -0.000 -3.671 0.000) 3.671 4.060 ( 0.000 8.472 0.000) 8.472 4.194 ( -0.000 -12.560 0.000) 12.560 4.710 ( -0.000 -3.163 0.000) 3.163 5.244 ( -0.000 -5.109 0.000) 5.109 5.789 ( 0.000 19.458 0.000) 19.458 6.092 ( -0.000 -1.360 0.000) 1.360 6.093 ( 0.000 9.591 0.000) 9.591 6.343 ( 0.000 4.785 0.000) 4.785 6.406 ( -0.000 -9.379 0.000) 9.379 6.683 ( -0.000 -7.974 0.000) 7.974 6.711 ( -0.000 -3.634 0.000) 3.634 6.828 ( -0.000 -12.725 0.000) 12.725 7.128 ( 0.000 3.730 0.000) 3.730 7.448 ( -0.000 -1.812 0.000) 1.812 7.627 ( -0.000 -0.268 0.000) 0.268 8.025 ( -0.000 -3.278 0.000) 3.278 8.864 ( 0.000 0.907 0.000) 0.907 9.005 ( 0.000 6.859 0.000) 6.859 9.443 ( 0.000 1.832 0.000) 1.832 10.032 ( -0.000 -5.182 0.000) 5.182 10.845 ( -0.000 -4.983 0.000) 4.983 11.339 ( -0.000 -3.213 0.000) 3.213 11.803 ( 0.000 8.770 0.000) 8.770 13.233 ( 0.000 0.644 0.000) 0.644 16.254 ( -0.000 -1.737 0.000) 1.737 20.064 ( 0.000 0.010 0.000) 0.010 22.521 ( -0.000 -13.714 0.000) 13.714 22.797 ( -0.000 -1.858 0.000) 1.858 23.045 ( 0.000 1.103 0.000) 1.103 23.288 ( 0.000 0.523 0.000) 0.523 23.722 ( 0.000 13.992 0.000) 13.992 ======================= Grid point 30 (20/150) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 15.658 0.000 0.000) 15.658 1.825 ( 24.579 0.000 0.000) 24.579 2.622 ( -41.858 -0.000 0.000) 41.858 3.116 ( 33.111 0.000 0.000) 33.111 4.047 ( -16.898 -0.000 0.000) 16.898 4.499 ( -11.606 -0.000 0.000) 11.606 4.825 ( 10.314 0.000 0.000) 10.314 4.961 ( 4.901 0.000 0.000) 4.901 5.418 ( 14.955 0.000 0.000) 14.955 5.418 ( -0.476 -0.000 0.000) 0.476 5.657 ( 2.654 0.000 0.000) 2.654 6.196 ( -19.415 -0.000 0.000) 19.415 6.248 ( 2.443 0.000 0.000) 2.443 6.548 ( 0.679 0.000 0.000) 0.679 6.664 ( -2.704 -0.000 0.000) 2.704 6.895 ( -1.324 -0.000 0.000) 1.324 6.996 ( 0.396 0.000 0.000) 0.396 7.165 ( 5.219 0.000 0.000) 5.219 7.201 ( -9.587 -0.000 0.000) 9.587 7.548 ( -0.964 -0.000 0.000) 0.964 8.295 ( -8.999 -0.000 0.000) 8.999 8.602 ( 2.893 0.000 0.000) 2.893 8.993 ( 0.064 0.000 0.000) 0.064 9.538 ( 3.196 0.000 0.000) 3.196 9.762 ( -4.261 -0.000 0.000) 4.261 10.221 ( -3.150 -0.000 0.000) 3.150 11.579 ( 11.849 0.000 0.000) 11.849 12.134 ( -4.434 -0.000 0.000) 4.434 13.198 ( 0.583 0.000 0.000) 0.583 15.840 ( 1.228 0.000 0.000) 1.228 20.050 ( 0.116 0.000 0.000) 0.116 21.212 ( 5.242 0.000 0.000) 5.242 22.813 ( -4.776 -0.000 0.000) 4.776 22.981 ( -0.350 -0.000 0.000) 0.350 23.367 ( 4.268 0.000 0.000) 4.268 24.817 ( -3.502 -0.000 0.000) 3.502 ======================= Grid point 31 (21/150) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 7.044 -9.633 0.000) 11.934 2.125 ( 10.973 -6.395 0.000) 12.701 2.221 ( -23.296 -1.909 0.000) 23.374 3.166 ( 8.799 21.961 0.000) 23.658 3.876 ( -13.003 0.293 0.000) 13.006 4.446 ( 8.967 -3.276 0.000) 9.547 4.799 ( -0.484 16.984 0.000) 16.991 5.012 ( 10.559 -4.551 0.000) 11.497 5.446 ( 2.153 -4.653 0.000) 5.127 5.655 ( 3.705 -2.999 0.000) 4.767 5.773 ( 2.204 -7.945 0.000) 8.245 6.000 ( -7.667 -0.097 0.000) 7.667 6.251 ( 0.330 2.050 0.000) 2.077 6.450 ( 2.364 7.347 0.000) 7.718 6.589 ( -7.020 1.850 0.000) 7.260 6.817 ( -1.395 4.005 0.000) 4.241 7.057 ( -1.482 -5.249 0.000) 5.454 7.183 ( 2.879 1.271 0.000) 3.147 7.256 ( -4.607 -7.396 0.000) 8.713 7.457 ( -4.016 6.246 0.000) 7.426 8.149 ( -6.820 6.279 0.000) 9.271 8.678 ( 2.056 -5.465 0.000) 5.839 9.008 ( 0.266 -1.004 0.000) 1.038 9.566 ( 3.065 0.687 0.000) 3.141 9.854 ( -4.019 -13.777 0.000) 14.352 10.168 ( -2.522 2.568 0.000) 3.599 11.639 ( 10.074 6.200 0.000) 11.829 12.073 ( -4.260 0.817 0.000) 4.338 13.206 ( 0.398 -0.347 0.000) 0.528 15.907 ( 0.271 -5.743 0.000) 5.749 20.050 ( 0.156 0.113 0.000) 0.193 21.356 ( 3.300 -10.301 0.000) 10.816 22.774 ( -4.091 -0.665 0.000) 4.145 22.989 ( -0.190 -1.165 0.000) 1.181 23.396 ( 2.979 1.211 0.000) 3.216 24.703 ( -1.460 8.795 0.000) 8.915 ======================= Grid point 32 (22/150) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 246 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -13.253 6.301 0.000) 14.675 2.195 ( -0.688 -18.011 0.000) 18.024 2.509 ( 9.488 -13.614 0.000) 16.594 2.706 ( -3.902 26.373 0.000) 26.660 3.777 ( -7.282 -0.738 0.000) 7.320 4.442 ( -0.245 20.406 0.000) 20.408 4.631 ( 9.444 -0.048 0.000) 9.444 5.188 ( 17.042 3.375 0.000) 17.373 5.489 ( -10.037 10.812 0.000) 14.753 5.572 ( -6.266 -14.889 0.000) 16.154 5.937 ( 2.653 -5.628 0.000) 6.222 6.090 ( 3.642 -4.193 0.000) 5.554 6.249 ( 7.110 -2.049 0.000) 7.399 6.415 ( -2.550 -2.229 0.000) 3.387 6.494 ( -7.356 0.651 0.000) 7.384 6.730 ( 0.630 6.130 0.000) 6.163 7.055 ( 3.274 16.394 0.000) 16.717 7.145 ( -2.468 -3.658 0.000) 4.412 7.275 ( 1.382 -1.325 0.000) 1.914 7.414 ( -9.008 -8.715 0.000) 12.534 7.980 ( -3.300 5.583 0.000) 6.486 8.824 ( 1.156 -8.591 0.000) 8.668 9.014 ( 0.294 1.135 0.000) 1.172 9.568 ( 1.511 1.775 0.000) 2.331 10.083 ( -1.617 2.409 0.000) 2.901 10.126 ( -2.026 -17.210 0.000) 17.329 11.562 ( 5.118 10.386 0.000) 11.578 12.038 ( -1.811 -0.092 0.000) 1.814 13.219 ( 0.158 -0.684 0.000) 0.702 16.023 ( -0.196 -6.783 0.000) 6.786 20.051 ( 0.121 -0.129 0.000) 0.177 21.619 ( 1.725 -15.908 0.000) 16.001 22.752 ( -2.990 -0.881 0.000) 3.117 23.016 ( -0.053 -1.832 0.000) 1.833 23.382 ( 1.131 2.524 0.000) 2.766 24.500 ( 0.406 13.096 0.000) 13.102 ======================= Grid point 33 (23/150) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -0.000 -2.120 0.000) 2.120 2.263 ( 0.000 19.241 0.000) 19.241 2.574 ( -0.000 -21.759 0.000) 21.759 2.773 ( -0.000 -8.828 0.000) 8.828 3.762 ( -0.000 -1.798 0.000) 1.798 4.107 ( 0.000 15.046 0.000) 15.046 4.648 ( 0.000 1.037 0.000) 1.037 5.020 ( 0.000 24.158 0.000) 24.158 5.284 ( 0.000 5.609 0.000) 5.609 5.894 ( -0.000 -20.144 0.000) 20.144 5.977 ( 0.000 0.818 0.000) 0.818 6.224 ( -0.000 -9.248 0.000) 9.248 6.373 ( 0.000 5.873 0.000) 5.873 6.415 ( -0.000 -6.548 0.000) 6.548 6.492 ( -0.000 -7.763 0.000) 7.763 6.583 ( 0.000 11.524 0.000) 11.524 6.748 ( 0.000 14.775 0.000) 14.775 7.177 ( -0.000 -1.022 0.000) 1.022 7.354 ( -0.000 -3.265 0.000) 3.265 7.499 ( -0.000 -6.867 0.000) 6.867 7.915 ( -0.000 -0.163 0.000) 0.163 8.972 ( 0.000 3.513 0.000) 3.513 8.980 ( -0.000 -7.400 0.000) 7.400 9.535 ( 0.000 2.672 0.000) 2.672 10.008 ( 0.000 3.438 0.000) 3.438 10.442 ( -0.000 -17.371 0.000) 17.371 11.415 ( 0.000 8.110 0.000) 8.110 12.013 ( 0.000 2.439 0.000) 2.439 13.232 ( -0.000 -0.614 0.000) 0.614 16.132 ( -0.000 -5.379 0.000) 5.379 20.056 ( -0.000 -0.307 0.000) 0.307 21.937 ( -0.000 -18.018 0.000) 18.018 22.749 ( -0.000 -0.897 0.000) 0.897 23.046 ( -0.000 -1.405 0.000) 1.405 23.339 ( 0.000 2.608 0.000) 2.608 24.252 ( 0.000 15.008 0.000) 15.008 ======================= Grid point 41 (24/150) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 8.766 0.000 0.000) 8.766 1.916 ( -23.205 -0.000 0.000) 23.205 2.218 ( 11.653 0.000 0.000) 11.653 3.558 ( 9.239 0.000 0.000) 9.239 3.762 ( -7.923 -0.000 0.000) 7.923 4.324 ( -4.734 -0.000 0.000) 4.734 4.981 ( -0.434 -0.000 0.000) 0.434 5.058 ( 10.445 0.000 0.000) 10.445 5.425 ( -0.495 -0.000 0.000) 0.495 5.699 ( 0.543 0.000 0.000) 0.543 5.817 ( 19.267 0.000 0.000) 19.267 5.866 ( -9.811 -0.000 0.000) 9.811 6.205 ( -8.039 -0.000 0.000) 8.039 6.534 ( -0.628 -0.000 0.000) 0.628 6.619 ( -1.348 -0.000 0.000) 1.348 6.810 ( -3.724 -0.000 0.000) 3.724 7.000 ( 0.178 0.000 0.000) 0.178 7.029 ( -5.645 -0.000 0.000) 5.645 7.271 ( 3.226 0.000 0.000) 3.226 7.535 ( -0.337 -0.000 0.000) 0.337 8.159 ( -3.636 -0.000 0.000) 3.636 8.643 ( 1.046 0.000 0.000) 1.046 8.994 ( 0.008 0.000 0.000) 0.008 9.600 ( 2.385 0.000 0.000) 2.385 9.693 ( -2.380 -0.000 0.000) 2.380 10.170 ( -1.486 -0.000 0.000) 1.486 11.792 ( 8.087 0.000 0.000) 8.087 12.027 ( -5.306 -0.000 0.000) 5.306 13.207 ( 0.237 0.000 0.000) 0.237 15.858 ( 0.466 0.000 0.000) 0.466 20.052 ( 0.047 0.000 0.000) 0.047 21.293 ( 2.289 0.000 0.000) 2.289 22.738 ( -2.126 -0.000 0.000) 2.126 22.977 ( -0.103 -0.000 0.000) 0.103 23.433 ( 1.839 0.000 0.000) 1.839 24.762 ( -1.528 -0.000 0.000) 1.528 ======================= Grid point 42 (25/150) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.000 4.871 0.000) 4.871 1.898 ( -0.000 -12.542 0.000) 12.542 2.359 ( -0.000 -8.586 0.000) 8.586 3.225 ( 0.000 30.912 0.000) 30.912 3.724 ( -0.000 -0.476 0.000) 0.476 4.569 ( -0.000 -16.410 0.000) 16.410 4.789 ( 0.000 17.498 0.000) 17.498 5.159 ( -0.000 -7.092 0.000) 7.092 5.445 ( 0.000 0.484 0.000) 0.484 5.636 ( 0.000 11.190 0.000) 11.190 5.784 ( -0.000 -8.982 0.000) 8.982 6.127 ( 0.000 0.789 0.000) 0.789 6.140 ( -0.000 -12.536 0.000) 12.536 6.451 ( 0.000 10.973 0.000) 10.973 6.514 ( 0.000 1.941 0.000) 1.941 6.806 ( 0.000 1.739 0.000) 1.739 7.039 ( -0.000 -4.258 0.000) 4.258 7.135 ( -0.000 -12.057 0.000) 12.057 7.289 ( -0.000 -0.260 0.000) 0.260 7.396 ( 0.000 14.276 0.000) 14.276 8.077 ( 0.000 6.227 0.000) 6.227 8.699 ( -0.000 -5.509 0.000) 5.509 9.011 ( -0.000 -1.231 0.000) 1.231 9.604 ( 0.000 1.081 0.000) 1.081 9.809 ( -0.000 -13.588 0.000) 13.588 10.140 ( 0.000 2.444 0.000) 2.444 11.765 ( 0.000 7.951 0.000) 7.951 12.007 ( -0.000 -1.360 0.000) 1.360 13.211 ( -0.000 -0.298 0.000) 0.298 15.910 ( -0.000 -5.207 0.000) 5.207 20.052 ( 0.000 0.054 0.000) 0.054 21.394 ( -0.000 -9.665 0.000) 9.665 22.729 ( -0.000 -0.262 0.000) 0.262 22.987 ( -0.000 -1.195 0.000) 1.195 23.428 ( 0.000 1.635 0.000) 1.635 24.686 ( 0.000 7.487 0.000) 7.487 ======================= Grid point 85 (26/150) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 0.000 31.242) 31.242 0.734 ( 0.000 0.000 35.651) 35.651 1.058 ( 0.000 0.000 50.945) 50.945 3.872 ( 0.000 0.000 -5.481) 5.481 4.328 ( 0.000 0.000 -2.624) 2.624 4.819 ( 0.000 0.000 -21.871) 21.871 5.067 ( 0.000 0.000 -19.040) 19.040 5.220 ( 0.000 0.000 1.286) 1.286 5.358 ( 0.000 0.000 6.123) 6.123 5.419 ( 0.000 0.000 -13.689) 13.689 5.742 ( 0.000 0.000 -24.355) 24.355 5.944 ( 0.000 0.000 9.828) 9.828 6.002 ( 0.000 0.000 13.101) 13.101 6.727 ( 0.000 0.000 16.174) 16.174 6.786 ( 0.000 0.000 7.702) 7.702 6.946 ( 0.000 0.000 0.092) 0.092 7.071 ( 0.000 0.000 -3.549) 3.549 7.085 ( 0.000 0.000 -1.487) 1.487 7.301 ( 0.000 0.000 -4.889) 4.889 7.476 ( 0.000 0.000 -2.489) 2.489 8.117 ( 0.000 0.000 10.957) 10.957 8.979 ( 0.000 0.000 -1.493) 1.493 9.545 ( 0.000 0.000 10.109) 10.109 10.006 ( 0.000 0.000 2.105) 2.105 10.320 ( 0.000 0.000 -2.607) 2.607 10.464 ( 0.000 0.000 -1.812) 1.812 11.062 ( 0.000 0.000 -2.429) 2.429 11.296 ( 0.000 0.000 -2.640) 2.640 14.753 ( 0.000 0.000 4.750) 4.750 15.774 ( 0.000 0.000 -0.040) 0.040 20.984 ( 0.000 0.000 0.626) 0.626 21.765 ( 0.000 0.000 -2.931) 2.931 22.976 ( 0.000 0.000 0.314) 0.314 22.995 ( 0.000 0.000 -0.344) 0.344 23.046 ( 0.000 0.000 -0.593) 0.593 23.267 ( 0.000 0.000 -0.858) 0.858 ======================= Grid point 86 (27/150) ======================= q-point: ( 0.11 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 6.506 -12.069 25.158) 28.651 0.890 ( 16.376 -11.356 24.952) 31.933 1.528 ( 16.478 -35.118 34.370) 51.828 3.867 ( 1.190 2.599 -6.714) 7.297 4.371 ( 1.419 -2.703 -2.999) 4.279 4.574 ( -7.603 20.012 -12.466) 24.772 4.910 ( -9.461 20.187 1.958) 22.380 5.091 ( -13.483 3.312 -10.860) 17.627 5.115 ( -7.104 7.046 -2.597) 10.338 5.377 ( 4.926 -1.371 -5.466) 7.485 5.800 ( 3.708 -2.987 -20.066) 20.623 5.925 ( 10.246 5.423 9.144) 14.765 6.266 ( -1.074 -18.544 7.553) 20.052 6.532 ( -5.117 8.221 7.438) 12.210 6.849 ( -2.043 5.010 1.458) 5.603 6.953 ( 4.354 1.951 1.332) 4.954 7.053 ( -5.785 -0.177 -4.094) 7.089 7.203 ( 0.068 -7.696 4.157) 8.747 7.355 ( 2.169 -5.441 -6.435) 8.702 7.508 ( 4.110 -1.899 -1.427) 4.747 8.145 ( 3.444 -0.717 8.621) 9.311 8.955 ( -0.276 2.552 -1.781) 3.124 9.238 ( -3.748 34.576 31.395) 46.853 9.549 ( 0.510 -0.180 10.429) 10.443 10.276 ( -0.575 3.459 -3.378) 4.869 10.752 ( -27.924 -23.804 -7.173) 37.387 11.043 ( 0.419 1.255 -0.658) 1.477 11.536 ( 24.452 -2.319 -12.537) 27.576 13.974 ( -12.651 31.221 40.994) 53.059 16.050 ( -6.748 -14.116 -8.248) 17.687 20.400 ( -5.069 19.949 21.633) 29.861 21.939 ( -53.686 -34.860 -6.871) 64.378 22.971 ( -0.119 0.207 -0.196) 0.309 23.060 ( 0.787 -2.082 -0.990) 2.436 23.177 ( 3.016 -1.694 -1.530) 3.782 23.611 ( 54.413 10.112 -21.271) 59.292 ======================= Grid point 87 (28/150) ======================= q-point: ( 0.22 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 14.575 -24.929 2.285) 28.967 1.328 ( 17.253 -17.351 14.886) 28.641 2.350 ( 15.638 -34.683 24.252) 45.118 3.708 ( -6.133 17.772 -7.090) 20.093 4.011 ( -10.197 20.035 2.992) 22.679 4.374 ( -2.413 14.057 -5.074) 15.139 4.530 ( -11.783 7.231 -5.016) 14.707 4.857 ( 3.603 5.347 -2.747) 7.008 5.059 ( -8.637 -5.328 0.084) 10.148 5.543 ( 6.265 -7.451 -15.475) 18.282 5.886 ( 10.085 7.152 5.858) 13.681 5.906 ( 4.628 -0.846 -14.819) 15.548 6.311 ( -9.240 6.687 3.097) 11.819 6.535 ( -5.816 -9.113 -0.277) 10.814 6.729 ( -4.176 0.054 6.574) 7.788 6.857 ( -3.509 6.484 -1.686) 7.563 7.036 ( 2.002 1.767 -1.137) 2.903 7.241 ( 3.034 1.727 4.122) 5.401 7.457 ( -3.288 -3.518 0.409) 4.833 7.620 ( 4.632 -4.669 -0.595) 6.604 8.186 ( 3.363 0.936 4.775) 5.916 8.890 ( 0.352 4.445 -1.447) 4.688 8.909 ( 0.690 5.116 15.717) 16.543 9.565 ( 1.086 -0.735 11.361) 11.436 10.182 ( -0.840 6.194 -4.646) 7.788 10.839 ( -20.121 -15.522 -3.515) 25.654 11.025 ( 3.245 2.917 0.089) 4.364 11.755 ( 14.224 -0.654 -9.081) 16.889 13.589 ( -4.131 7.862 30.825) 32.078 16.148 ( -5.073 -5.760 -4.092) 8.698 20.190 ( -1.769 4.318 12.055) 12.927 21.971 ( -28.867 -17.318 -5.073) 34.043 22.974 ( -0.109 -0.727 -1.008) 1.248 23.116 ( -1.703 -4.610 -0.425) 4.933 23.223 ( 1.995 -1.043 -0.612) 2.333 23.787 ( 29.197 14.546 -12.254) 34.846 ======================= Grid point 88 (29/150) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 13.944 -9.123 12.262) 20.689 1.929 ( 10.722 -28.305 -5.260) 30.722 2.798 ( -5.740 2.809 13.522) 14.956 3.381 ( 10.489 1.617 1.056) 10.665 3.655 ( -15.972 11.730 2.584) 19.984 4.090 ( 0.235 8.917 -2.139) 9.173 4.265 ( -8.427 9.037 -6.810) 14.109 4.896 ( 6.584 2.654 3.465) 7.900 5.135 ( -3.245 -9.262 0.902) 9.856 5.675 ( 3.415 1.232 -11.183) 11.758 5.853 ( 7.242 2.262 -7.210) 10.466 6.018 ( 4.742 -4.332 -2.288) 6.818 6.143 ( -5.586 1.523 -7.677) 9.616 6.387 ( -11.399 7.014 -1.760) 13.500 6.696 ( -3.699 6.400 -2.035) 7.667 6.859 ( 1.665 -3.807 5.175) 6.637 6.990 ( -4.607 -2.398 4.558) 6.911 7.276 ( 7.644 1.289 6.199) 9.926 7.411 ( -4.683 2.458 0.521) 5.314 7.736 ( 2.303 -3.794 0.059) 4.439 8.160 ( -0.199 3.636 3.656) 5.161 8.823 ( 0.780 3.699 -5.296) 6.507 8.934 ( 1.457 -4.316 6.156) 7.658 9.602 ( 1.754 -1.754 12.523) 12.766 10.049 ( -1.193 7.192 -5.880) 9.366 10.909 ( -13.032 -11.160 -1.487) 17.222 11.008 ( 3.914 3.092 0.069) 4.988 11.871 ( 7.712 -0.123 -5.332) 9.377 13.492 ( -1.389 1.555 23.939) 24.030 16.182 ( -2.689 -2.742 -2.759) 4.728 20.137 ( -0.713 1.050 7.755) 7.858 21.978 ( -14.737 -8.682 -4.821) 17.771 22.993 ( -0.059 -1.397 -1.980) 2.423 23.183 ( -3.227 -5.498 -0.221) 6.379 23.254 ( 2.410 0.274 -0.410) 2.460 23.774 ( 15.459 11.350 -6.320) 20.193 ======================= Grid point 89 (30/150) ======================= q-point: ( 0.44 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -1.233 4.044 15.879) 16.432 2.460 ( 6.374 -18.626 -3.149) 19.937 2.675 ( 5.206 1.408 7.178) 8.978 3.273 ( -9.349 11.781 3.269) 15.391 3.420 ( -2.967 4.738 -16.167) 17.106 4.034 ( -0.793 3.012 -9.158) 9.673 4.262 ( 5.420 -10.214 18.158) 21.527 4.826 ( -0.246 7.029 6.780) 9.769 5.270 ( 0.221 -5.614 3.628) 6.688 5.605 ( 0.651 4.551 -3.652) 5.871 5.924 ( 3.949 -1.209 -14.443) 15.022 6.043 ( -5.876 1.506 -8.910) 10.779 6.163 ( 0.809 -1.122 -7.283) 7.413 6.251 ( 0.324 -1.992 -7.706) 7.966 6.582 ( -1.835 1.866 0.894) 2.765 6.774 ( -1.060 6.456 8.360) 10.616 7.100 ( -2.528 -7.339 7.274) 10.638 7.278 ( 0.758 3.269 5.207) 6.194 7.362 ( 1.781 0.643 -0.659) 2.005 7.792 ( 0.563 -0.955 -0.012) 1.109 8.091 ( -1.227 1.935 4.104) 4.700 8.780 ( 0.440 1.634 -7.289) 7.482 9.023 ( 0.710 -2.992 2.320) 3.852 9.653 ( 1.174 -1.646 13.768) 13.916 9.927 ( -0.890 4.183 -7.349) 8.503 10.955 ( -5.100 -4.162 0.503) 6.602 11.000 ( 2.184 1.232 -1.127) 2.749 11.923 ( 2.512 0.023 -3.581) 4.375 13.472 ( -0.338 0.147 21.589) 21.593 16.195 ( -0.832 -0.843 -2.477) 2.745 20.123 ( -0.200 0.188 6.288) 6.294 21.980 ( -4.588 -2.680 -4.804) 7.163 23.014 ( -0.015 -0.763 -2.802) 2.905 23.237 ( -3.471 -4.279 -0.251) 5.515 23.261 ( 2.811 1.995 -0.231) 3.455 23.732 ( 5.161 4.530 -3.746) 7.823 ======================= Grid point 95 (31/150) ======================= q-point: ( 0.11 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 14.592 0.000 26.624) 30.360 0.873 ( 12.328 0.000 29.897) 32.339 1.535 ( 42.752 0.000 29.686) 52.048 3.906 ( -0.708 -0.000 -3.489) 3.560 4.353 ( 1.783 0.000 -3.256) 3.713 4.723 ( -10.222 -0.000 -17.965) 20.670 4.746 ( -21.917 -0.000 -9.297) 23.807 5.089 ( -10.669 -0.000 5.114) 11.832 5.249 ( -4.151 -0.000 -4.413) 6.058 5.278 ( -5.388 -0.000 -7.086) 8.902 5.849 ( 8.179 0.000 -21.044) 22.578 5.911 ( -4.994 -0.000 7.784) 9.248 6.216 ( 13.161 0.000 7.364) 15.081 6.719 ( -5.937 -0.000 2.366) 6.391 6.776 ( 5.311 0.000 14.278) 15.234 6.972 ( 1.911 0.000 -0.489) 1.973 6.980 ( -10.455 -0.000 -0.650) 10.475 7.114 ( 2.637 0.000 1.490) 3.028 7.347 ( 2.869 0.000 -9.764) 10.177 7.531 ( 2.957 0.000 -1.314) 3.236 8.183 ( 4.989 0.000 5.101) 7.135 8.974 ( -0.528 -0.000 -1.747) 1.825 9.555 ( 1.048 0.000 9.943) 9.998 9.698 ( -39.533 -0.000 33.564) 51.859 9.973 ( -3.081 -0.000 2.382) 3.894 10.307 ( -1.269 -0.000 -2.243) 2.577 11.111 ( 7.212 0.000 -1.621) 7.392 11.762 ( 19.489 0.000 -19.778) 27.766 14.080 ( -35.848 -0.000 40.709) 54.243 15.783 ( 0.860 0.000 -0.191) 0.881 20.609 ( -35.055 -0.000 34.528) 49.204 21.014 ( 2.858 0.000 0.329) 2.877 22.964 ( -1.350 -0.000 0.018) 1.350 23.029 ( -1.460 -0.000 0.049) 1.460 23.193 ( 2.935 0.000 -0.904) 3.071 24.273 ( 36.293 0.000 -40.428) 54.329 ======================= Grid point 96 (32/150) ======================= q-point: ( 0.22 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 18.973 -12.740 12.233) 25.922 1.253 ( 18.089 -15.633 16.766) 29.201 2.143 ( 37.887 -16.620 22.721) 47.201 3.761 ( -19.089 6.262 0.824) 20.107 4.274 ( -12.981 14.650 -12.079) 23.001 4.443 ( 3.970 2.855 -5.313) 7.221 4.659 ( -13.356 13.060 1.266) 18.723 4.831 ( -5.480 0.757 -0.989) 5.620 5.075 ( 1.874 6.480 -8.025) 10.484 5.443 ( 2.810 -10.287 -11.028) 15.341 5.900 ( 3.713 -2.327 -15.280) 15.896 6.069 ( -1.531 -11.389 2.933) 11.860 6.244 ( 2.806 6.050 6.973) 9.649 6.477 ( -1.920 10.419 0.428) 10.603 6.734 ( -9.705 5.316 1.394) 11.153 6.929 ( 0.648 4.262 3.452) 5.523 7.068 ( 2.506 -3.154 0.612) 4.074 7.195 ( -2.281 -8.577 5.666) 10.530 7.363 ( 1.246 0.612 -6.260) 6.413 7.586 ( 0.510 -4.057 -0.391) 4.108 8.232 ( 3.475 0.213 1.283) 3.710 8.945 ( -0.832 2.475 -2.079) 3.338 9.104 ( -8.109 16.647 26.465) 32.300 9.572 ( 1.733 -0.203 10.146) 10.295 10.231 ( -9.445 -11.351 -0.189) 14.768 10.281 ( -9.260 -9.042 0.302) 12.946 11.164 ( 9.307 3.804 -1.467) 10.161 11.900 ( 11.086 1.488 -13.985) 17.908 13.674 ( -12.585 9.214 34.885) 38.213 15.928 ( -3.598 -11.313 -2.200) 12.073 20.259 ( -6.588 7.069 17.342) 19.853 21.334 ( -10.471 -24.334 -0.173) 26.492 22.950 ( -2.172 -0.664 -0.359) 2.300 23.031 ( -1.839 -1.996 0.594) 2.778 23.234 ( 3.303 -0.745 -0.717) 3.461 24.361 ( 19.196 16.244 -23.051) 34.113 ======================= Grid point 97 (33/150) ======================= q-point: ( 0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 14.895 -21.981 2.805) 26.700 1.707 ( 17.776 -13.203 5.629) 22.847 2.708 ( 13.250 -9.360 18.715) 24.767 3.347 ( -27.378 7.238 5.470) 28.842 3.917 ( 4.074 15.902 -5.759) 17.397 4.253 ( -6.954 10.810 -1.351) 12.924 4.365 ( -4.709 11.966 -7.954) 15.120 4.836 ( -2.765 -4.809 0.700) 5.591 5.148 ( 14.553 -1.329 -3.043) 14.927 5.654 ( 4.521 -7.821 -15.252) 17.727 5.969 ( 0.975 0.388 -12.587) 12.630 6.061 ( 3.574 6.122 2.760) 7.607 6.178 ( -4.013 3.146 1.481) 5.310 6.331 ( -10.248 1.165 -1.875) 10.483 6.662 ( -2.141 -7.099 6.131) 9.621 6.801 ( -1.385 8.380 -0.066) 8.494 7.050 ( -0.498 5.522 0.801) 5.602 7.295 ( -4.438 -4.944 5.034) 8.336 7.368 ( 0.956 -0.214 -0.583) 1.140 7.671 ( -0.599 -5.248 0.621) 5.319 8.212 ( -1.862 3.440 0.707) 3.975 8.882 ( -0.767 1.267 1.441) 2.067 8.931 ( 1.090 3.438 8.163) 8.924 9.602 ( 2.566 -0.764 11.211) 11.527 10.151 ( -2.213 5.816 -3.487) 7.133 10.474 ( -13.936 -19.278 1.794) 23.855 11.169 ( 9.368 6.125 -1.027) 11.240 11.960 ( 6.105 1.380 -7.693) 9.917 13.503 ( -3.654 2.465 25.629) 26.005 16.058 ( -3.262 -7.422 -2.351) 8.441 20.151 ( -1.715 1.950 9.660) 10.003 21.605 ( -8.457 -17.703 -2.792) 19.816 22.948 ( -2.863 -2.047 -0.966) 3.650 23.057 ( -2.595 -3.343 0.994) 4.347 23.276 ( 2.818 -0.263 -0.603) 2.894 24.213 ( 13.083 17.539 -11.650) 24.789 ======================= Grid point 98 (34/150) ======================= q-point: ( 0.44 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -0.801 2.976 10.959) 11.384 2.179 ( 12.773 -22.057 -6.348) 26.267 2.708 ( -1.794 0.258 13.533) 13.654 3.044 ( -27.092 1.377 4.220) 27.454 3.797 ( 11.428 16.026 -9.386) 21.807 4.044 ( -8.075 4.976 -5.846) 11.142 4.256 ( 12.881 -3.181 5.716) 14.447 4.884 ( -1.839 -0.762 5.203) 5.570 5.262 ( 8.801 3.816 0.284) 9.597 5.728 ( 2.752 3.404 -8.801) 9.830 5.944 ( -0.050 -2.251 -9.328) 9.596 6.042 ( -2.731 2.950 -10.029) 10.804 6.160 ( 7.115 -3.522 0.702) 7.970 6.228 ( -1.955 1.993 -3.427) 4.420 6.615 ( -4.181 6.536 -3.044) 8.334 6.860 ( -3.393 -13.397 7.138) 15.555 6.901 ( -2.277 8.548 5.684) 10.515 7.280 ( -4.982 -0.830 0.308) 5.060 7.385 ( 0.395 0.508 3.810) 3.864 7.746 ( -1.724 -4.061 0.389) 4.429 8.101 ( -5.062 3.230 2.957) 6.693 8.846 ( 1.157 3.917 -6.689) 7.837 8.962 ( 1.267 -4.416 5.016) 6.802 9.646 ( 2.399 -0.971 12.581) 12.844 10.015 ( -2.045 6.545 -4.781) 8.359 10.662 ( -9.586 -15.204 1.373) 18.026 11.150 ( 8.484 5.846 -0.761) 10.332 11.976 ( 2.695 1.962 -4.522) 5.618 13.465 ( -1.097 -0.077 21.799) 21.827 16.136 ( -1.648 -4.384 -2.342) 5.236 20.123 ( -0.554 0.332 6.806) 6.837 21.809 ( -2.455 -11.953 -4.268) 12.927 22.963 ( -3.741 -3.293 -1.963) 5.357 23.092 ( -3.696 -4.061 1.389) 5.664 23.295 ( 1.581 0.679 -0.477) 1.786 24.030 ( 9.158 15.586 -6.558) 19.230 ======================= Grid point 99 (35/150) ======================= q-point: ( 0.56 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -2.419 -0.851 16.655) 16.851 2.537 ( -8.458 -1.184 3.465) 9.216 2.672 ( -2.748 0.477 3.359) 4.366 2.904 ( -6.631 -11.450 -4.293) 13.911 3.621 ( 9.163 7.301 -9.148) 14.865 3.961 ( -3.886 -2.168 -8.396) 9.503 4.470 ( 11.188 4.075 13.709) 18.158 4.766 ( -4.239 6.477 6.729) 10.257 5.264 ( -1.424 -1.839 1.594) 2.820 5.687 ( 7.409 6.073 -1.352) 9.675 5.963 ( 1.304 1.644 -10.494) 10.701 6.060 ( 7.011 -2.292 -9.977) 12.408 6.194 ( 1.184 2.356 -10.139) 10.476 6.262 ( 0.391 -0.541 -8.944) 8.969 6.537 ( -2.584 -2.847 1.462) 4.113 6.748 ( -1.197 3.829 10.188) 10.949 7.031 ( -6.242 -10.663 6.517) 13.969 7.276 ( 1.650 0.582 3.240) 3.682 7.327 ( -4.941 1.539 1.180) 5.308 7.773 ( -2.793 -1.689 0.698) 3.337 8.049 ( -2.471 -1.878 4.122) 5.159 8.791 ( 0.556 2.625 -7.596) 8.056 9.038 ( 0.738 -1.588 1.429) 2.260 9.668 ( 0.301 0.624 14.276) 14.293 9.911 ( -0.593 2.291 -7.165) 7.546 10.807 ( -5.728 -9.590 0.929) 11.209 11.146 ( 8.031 3.924 -1.039) 8.998 11.941 ( -0.655 3.317 -3.327) 4.743 13.466 ( -0.190 -0.563 21.066) 21.075 16.185 ( -0.195 -2.285 -2.427) 3.339 20.120 ( -0.096 -0.205 5.928) 5.932 21.990 ( 5.001 -7.189 -5.251) 10.212 22.981 ( -4.629 -3.367 -3.176) 6.546 23.119 ( -5.576 -4.085 1.842) 7.153 23.289 ( 0.572 1.003 -0.463) 1.244 23.851 ( 5.315 12.768 -4.216) 14.458 ======================= Grid point 100 (36/150) ======================= q-point: (-0.33 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -6.838 6.217 15.478) 18.027 2.355 ( -3.449 25.684 -4.274) 26.265 2.547 ( -4.921 -20.781 8.415) 22.954 3.168 ( -3.998 -12.059 -4.902) 13.618 3.737 ( 9.015 -3.936 -3.739) 10.524 4.026 ( 3.749 -2.269 -1.909) 4.780 4.268 ( 2.787 9.724 10.508) 14.586 4.732 ( -8.376 -4.115 -0.532) 9.348 5.292 ( 1.869 -1.488 4.807) 5.368 5.667 ( 5.297 6.862 -4.588) 9.808 5.876 ( -0.747 7.111 -14.669) 16.319 6.066 ( -2.597 4.735 -4.174) 6.825 6.202 ( 3.873 1.319 -11.321) 12.038 6.349 ( 9.356 -8.460 -1.373) 12.688 6.614 ( 1.089 -6.096 -0.205) 6.196 6.773 ( -1.494 -5.206 5.002) 7.373 7.103 ( -10.036 -6.666 6.943) 13.905 7.165 ( -0.420 6.979 5.215) 8.722 7.379 ( 2.968 -3.629 0.017) 4.688 7.753 ( -3.172 0.554 2.381) 4.005 8.089 ( -1.049 -3.803 4.313) 5.845 8.777 ( 0.078 -0.765 -6.584) 6.629 9.012 ( -0.352 4.513 1.428) 4.747 9.627 ( -1.104 2.632 14.061) 14.348 9.942 ( 0.528 -5.041 -7.653) 9.179 10.886 ( -3.065 -4.632 0.655) 5.592 11.176 ( 9.629 3.032 -2.426) 10.382 11.843 ( -4.880 4.592 -3.365) 7.498 13.479 ( 0.290 -0.887 22.160) 22.179 16.215 ( 0.952 -0.740 -2.623) 2.887 20.127 ( 0.187 -0.599 6.276) 6.307 22.176 ( 13.660 -3.206 -6.351) 15.401 22.980 ( -5.641 -2.239 -3.706) 7.111 23.118 ( -7.897 -3.518 1.681) 8.807 23.278 ( 0.636 0.905 -0.550) 1.235 23.682 ( -0.103 9.463 -3.298) 10.022 ======================= Grid point 101 (37/150) ======================= q-point: (-0.22 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -11.121 16.320 16.661) 25.838 1.774 ( -4.034 32.645 -4.373) 33.183 2.867 ( 0.733 25.187 15.334) 29.496 3.210 ( -2.975 -33.212 1.720) 33.389 3.880 ( 3.296 -6.769 -0.973) 7.591 4.154 ( 4.390 -11.952 -0.198) 12.734 4.451 ( 9.483 -13.122 -4.069) 16.693 4.694 ( -10.078 -4.083 -4.654) 11.828 5.317 ( 10.790 9.783 1.277) 14.620 5.550 ( -9.126 -1.195 -1.736) 9.366 5.725 ( -3.252 6.074 -12.828) 14.561 5.959 ( -1.370 5.035 -11.078) 12.245 6.308 ( 8.659 -5.038 0.891) 10.057 6.575 ( 5.149 -5.685 0.116) 7.671 6.748 ( 0.203 -7.159 -2.382) 7.548 6.805 ( -3.293 -0.593 2.944) 4.457 7.048 ( 1.350 5.627 1.656) 6.019 7.150 ( -2.245 -6.574 6.828) 9.741 7.439 ( -2.050 -1.240 -2.011) 3.128 7.692 ( -0.887 3.651 5.544) 6.697 8.135 ( -1.362 -2.176 5.794) 6.337 8.818 ( 0.159 -3.550 -4.019) 5.365 8.907 ( -0.952 4.958 5.452) 7.430 9.578 ( -0.559 1.723 12.972) 13.098 10.063 ( 0.294 -7.341 -6.863) 10.053 10.922 ( -1.606 -2.528 0.133) 2.998 11.229 ( 13.131 4.224 -5.251) 14.760 11.674 ( -10.032 5.941 -4.081) 12.352 13.515 ( 0.684 -3.155 25.624) 25.826 16.230 ( 1.555 0.567 -3.368) 3.752 20.148 ( 0.348 -1.718 8.124) 8.311 22.396 ( 23.473 -0.542 -9.143) 25.197 22.945 ( -9.174 -2.311 -3.225) 9.995 23.083 ( -7.963 -1.695 0.591) 8.163 23.267 ( 1.498 1.590 -0.296) 2.205 23.500 ( -7.359 7.271 -3.039) 10.782 ======================= Grid point 102 (38/150) ======================= q-point: (-0.11 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.000 17.511 21.274) 27.554 1.177 ( 0.000 29.910 5.432) 30.399 2.186 ( 0.000 42.228 25.457) 49.307 3.744 ( -0.000 -15.800 -11.541) 19.566 4.141 ( -0.000 -25.041 7.621) 26.175 4.373 ( -0.000 -5.594 -3.013) 6.354 4.717 ( -0.000 -8.741 -12.929) 15.607 4.800 ( -0.000 -16.385 -0.405) 16.390 5.241 ( 0.000 0.667 3.396) 3.461 5.424 ( 0.000 10.592 -16.869) 19.919 5.738 ( -0.000 -8.019 6.855) 10.550 5.859 ( 0.000 5.045 -16.245) 17.010 6.469 ( -0.000 -5.782 3.492) 6.754 6.572 ( 0.000 10.607 2.538) 10.906 6.773 ( -0.000 -0.901 8.145) 8.194 6.860 ( -0.000 -5.693 -4.393) 7.191 7.033 ( -0.000 -3.164 -4.576) 5.563 7.266 ( -0.000 -3.937 4.451) 5.942 7.388 ( 0.000 2.986 -4.483) 5.386 7.596 ( 0.000 7.263 5.353) 9.023 8.139 ( 0.000 0.328 8.437) 8.443 8.891 ( -0.000 -6.691 18.311) 19.495 8.894 ( -0.000 -4.218 -2.411) 4.859 9.554 ( 0.000 0.703 11.551) 11.573 10.190 ( -0.000 -6.318 -5.227) 8.200 10.952 ( -0.000 -1.649 -1.438) 2.188 11.257 ( 0.000 6.091 -11.716) 13.205 11.451 ( 0.000 8.013 -2.660) 8.443 13.638 ( -0.000 -11.778 33.341) 35.360 16.214 ( 0.000 3.027 -5.855) 6.591 20.210 ( -0.000 -5.781 12.865) 14.104 22.613 ( 0.000 1.826 -20.901) 20.981 22.886 ( -0.000 -2.704 0.400) 2.733 23.032 ( 0.000 1.429 0.103) 1.432 23.264 ( 0.000 0.508 0.262) 0.571 23.276 ( 0.000 9.394 -1.605) 9.530 ======================= Grid point 105 (39/150) ======================= q-point: ( 0.22 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 16.096 0.000 22.165) 27.393 1.298 ( 26.811 0.000 9.457) 28.429 2.445 ( 42.087 0.000 15.527) 44.860 3.534 ( -35.105 -0.000 4.773) 35.428 4.273 ( -11.461 -0.000 -8.624) 14.343 4.603 ( 6.299 0.000 -9.654) 11.528 4.623 ( 4.600 0.000 -5.820) 7.418 4.837 ( -11.739 -0.000 1.855) 11.885 5.204 ( -0.548 -0.000 -7.745) 7.764 5.282 ( 4.131 0.000 -9.793) 10.629 5.761 ( -8.301 -0.000 7.021) 10.872 6.008 ( 6.898 0.000 -17.473) 18.786 6.400 ( 4.702 0.000 -0.428) 4.722 6.521 ( -14.315 -0.000 -4.156) 14.907 6.749 ( -9.334 -0.000 0.139) 9.335 6.905 ( 4.319 0.000 6.576) 7.867 7.041 ( 5.983 0.000 5.841) 8.361 7.165 ( 1.934 0.000 4.483) 4.882 7.380 ( -0.059 -0.000 -3.271) 3.272 7.515 ( -4.297 -0.000 -0.506) 4.326 8.265 ( 2.105 0.000 -0.292) 2.125 8.961 ( -0.643 -0.000 -2.488) 2.570 9.137 ( -17.488 -0.000 29.200) 34.036 9.591 ( 2.418 0.000 9.589) 9.889 9.892 ( -4.482 -0.000 3.201) 5.508 10.268 ( -2.455 -0.000 -1.384) 2.819 11.312 ( 11.594 0.000 -2.020) 11.769 12.004 ( 5.895 0.000 -13.510) 14.740 13.614 ( -12.720 -0.000 32.196) 34.617 15.806 ( 1.245 0.000 -0.568) 1.369 20.245 ( -7.979 -0.000 16.612) 18.429 21.094 ( 4.763 0.000 -0.490) 4.789 22.912 ( -3.711 -0.000 0.146) 3.714 23.003 ( -0.918 -0.000 0.867) 1.262 23.267 ( 4.247 0.000 -0.811) 4.324 24.634 ( 6.395 0.000 -21.606) 22.532 ======================= Grid point 106 (40/150) ======================= q-point: ( 0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 15.148 -11.610 13.036) 23.113 1.687 ( 23.938 -10.662 5.249) 26.725 2.833 ( 22.582 1.078 11.520) 25.373 3.111 ( -35.597 2.949 7.525) 36.503 4.105 ( -5.989 4.849 -6.384) 10.007 4.405 ( -6.784 15.389 3.528) 17.184 4.585 ( 5.758 11.431 -12.053) 17.581 4.816 ( 3.128 0.350 -4.202) 5.250 5.236 ( 13.634 -4.867 -3.860) 14.983 5.503 ( 2.401 -12.441 -12.676) 17.923 5.813 ( -9.574 -11.771 1.655) 15.263 6.072 ( 2.539 -0.009 -12.587) 12.841 6.268 ( -7.956 8.986 -1.950) 12.159 6.366 ( -2.179 6.713 1.234) 7.165 6.600 ( -3.038 1.901 -2.379) 4.302 6.970 ( -0.768 8.420 4.185) 9.434 7.075 ( -0.752 -7.463 2.255) 7.832 7.167 ( 1.489 2.688 4.303) 5.287 7.395 ( 0.907 0.081 0.920) 1.295 7.520 ( -6.167 -6.901 0.455) 9.266 8.247 ( -2.212 2.878 -0.200) 3.635 8.900 ( -3.443 3.579 9.013) 10.291 8.984 ( -2.571 1.716 7.647) 8.248 9.623 ( 3.259 -0.395 10.148) 10.665 10.012 ( -7.808 -16.054 3.589) 18.209 10.214 ( -2.705 2.739 -1.004) 3.978 11.387 ( 11.727 5.089 -2.014) 12.941 12.029 ( 2.398 1.300 -8.596) 9.018 13.495 ( -5.425 1.685 25.542) 26.166 15.893 ( -0.479 -7.287 -1.313) 7.420 20.164 ( -2.889 1.815 10.576) 11.112 21.275 ( 1.586 -13.238 -1.465) 13.413 22.879 ( -4.358 -1.027 0.511) 4.507 23.006 ( -0.727 -1.200 0.895) 1.664 23.310 ( 3.969 0.168 -0.857) 4.064 24.569 ( 4.140 11.098 -14.050) 18.377 ======================= Grid point 107 (41/150) ======================= q-point: ( 0.44 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 3.479 -11.512 9.460) 15.301 2.053 ( 14.019 -6.784 -4.531) 16.220 2.648 ( -16.415 0.713 15.155) 22.353 2.903 ( -9.544 7.525 6.146) 13.619 3.972 ( -9.917 4.316 -0.821) 10.846 4.238 ( 9.075 13.934 -7.970) 18.440 4.380 ( 8.664 5.158 -3.094) 10.547 4.885 ( 8.447 -0.706 -1.225) 8.564 5.462 ( 12.450 2.135 -1.669) 12.741 5.702 ( -1.363 -8.375 -13.316) 15.789 5.872 ( -7.740 -4.126 -2.077) 9.013 6.003 ( -2.922 -0.224 -3.894) 4.874 6.162 ( 2.406 0.212 -5.038) 5.587 6.280 ( 1.176 2.075 -0.432) 2.424 6.618 ( -3.105 -5.899 0.784) 6.713 6.778 ( -1.798 10.582 1.325) 10.815 7.045 ( 0.455 9.816 2.982) 10.269 7.166 ( -4.937 -5.416 -1.081) 7.408 7.391 ( -0.605 0.522 5.651) 5.707 7.600 ( -6.068 -7.981 1.371) 10.119 8.117 ( -6.165 5.456 2.027) 8.479 8.879 ( 0.562 -2.215 3.496) 4.177 8.941 ( -0.103 2.114 0.310) 2.139 9.667 ( 3.629 -0.270 11.916) 12.459 10.092 ( -3.485 4.061 -3.127) 6.198 10.272 ( -6.283 -17.361 4.321) 18.962 11.376 ( 10.027 8.268 -1.772) 13.116 12.022 ( 0.516 1.065 -4.937) 5.077 13.448 ( -1.783 -0.124 21.444) 21.519 16.015 ( -1.113 -7.003 -1.911) 7.344 20.125 ( -0.876 0.667 7.199) 7.283 21.544 ( 0.732 -15.340 -3.235) 15.695 22.859 ( -5.079 -2.060 0.654) 5.520 23.027 ( -0.636 -1.914 0.804) 2.172 23.333 ( 2.540 1.194 -0.801) 2.919 24.378 ( 4.306 14.466 -8.766) 17.454 ======================= Grid point 108 (42/150) ======================= q-point: ( 0.56 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -11.994 3.525 13.758) 18.589 2.408 ( 7.939 -17.085 -4.687) 19.414 2.494 ( -15.654 7.297 5.330) 18.075 2.834 ( 5.221 -5.889 11.241) 13.722 3.788 ( -8.466 5.477 -5.717) 11.591 3.972 ( 0.913 11.572 -10.503) 15.655 4.553 ( 9.645 -2.654 1.422) 10.104 4.954 ( 8.847 6.790 4.117) 11.888 5.323 ( -3.206 10.779 -0.411) 11.253 5.825 ( 6.935 -1.092 -4.807) 8.509 5.914 ( 2.369 -7.089 -1.041) 7.546 6.096 ( 4.200 -4.054 -9.854) 11.453 6.210 ( 0.483 -0.499 -11.366) 11.387 6.302 ( 5.092 -2.247 1.819) 5.856 6.534 ( -3.443 10.541 -4.931) 12.136 6.718 ( -11.028 -8.846 3.974) 14.685 6.867 ( -1.315 7.318 8.006) 10.926 7.227 ( -0.537 -4.689 -1.462) 4.941 7.350 ( -1.152 2.597 6.629) 7.213 7.659 ( -6.600 -5.799 1.449) 8.904 7.998 ( -4.024 0.744 3.609) 5.456 8.864 ( 0.586 4.103 -7.331) 8.421 8.984 ( 0.837 -4.949 2.580) 5.644 9.693 ( 2.025 0.941 13.869) 14.048 9.972 ( -1.856 5.203 -4.779) 7.305 10.522 ( -4.280 -15.977 2.938) 16.800 11.319 ( 7.027 7.294 -1.431) 10.228 11.994 ( -0.436 2.502 -3.418) 4.259 13.449 ( -0.487 -0.952 20.313) 20.342 16.114 ( -0.561 -5.060 -2.240) 5.562 20.115 ( -0.237 -0.070 5.798) 5.804 21.831 ( 3.086 -14.687 -5.134) 15.862 22.845 ( -6.206 -2.789 0.626) 6.832 23.055 ( -0.611 -1.698 0.720) 1.943 23.321 ( 0.934 1.893 -0.657) 2.211 24.157 ( 3.706 14.856 -5.902) 16.409 ======================= Grid point 109 (43/150) ======================= q-point: (-0.33 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -0.768 -8.963 16.978) 19.214 2.192 ( -12.376 0.825 8.318) 14.934 2.727 ( 2.403 7.516 0.135) 7.892 2.904 ( 1.510 -10.387 -5.947) 12.064 3.703 ( 0.001 -2.167 -7.869) 8.162 3.941 ( 1.235 -6.660 -2.094) 7.089 4.607 ( 1.572 3.690 -0.399) 4.031 4.698 ( -1.148 21.061 10.531) 23.575 5.230 ( -1.164 -1.668 -0.298) 2.056 5.894 ( 9.558 3.603 -2.124) 10.433 6.020 ( 1.278 4.866 -10.942) 12.044 6.159 ( 1.769 9.489 -6.748) 11.777 6.221 ( 2.964 -3.879 -11.690) 12.668 6.310 ( 4.329 -3.048 -1.612) 5.534 6.493 ( -0.810 -6.803 0.364) 6.861 6.681 ( -8.303 -2.659 3.593) 9.430 6.850 ( -6.003 -6.897 9.715) 13.341 7.230 ( -2.474 1.937 3.443) 4.661 7.374 ( 5.247 -1.972 0.922) 5.681 7.681 ( -4.886 -3.784 3.649) 7.177 8.007 ( -1.263 -3.782 4.023) 5.664 8.800 ( 0.253 2.959 -7.669) 8.224 9.051 ( 0.422 -0.805 -0.116) 0.916 9.668 ( -0.130 2.708 15.043) 15.285 9.903 ( -0.145 0.661 -7.057) 7.090 10.731 ( -1.775 -10.545 1.594) 10.811 11.281 ( 4.093 2.914 -1.663) 5.292 11.915 ( -1.201 5.646 -2.991) 6.501 13.464 ( -0.047 -0.955 20.800) 20.822 16.184 ( 0.045 -3.142 -2.445) 3.982 20.119 ( -0.014 -0.425 5.517) 5.533 22.128 ( 6.019 -13.378 -7.447) 16.452 22.826 ( -7.015 -2.593 0.723) 7.514 23.068 ( -0.611 -0.360 0.795) 1.065 23.296 ( 0.172 1.243 -0.546) 1.369 23.927 ( 1.884 14.341 -4.357) 15.107 ======================= Grid point 110 (44/150) ======================= q-point: (-0.22 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 0.000 13.816 15.815) 21.000 2.321 ( 0.000 29.707 -4.740) 30.083 2.504 ( -0.000 -35.655 8.510) 36.657 3.136 ( -0.000 -4.094 -1.739) 4.448 3.780 ( -0.000 -5.629 -7.844) 9.655 4.130 ( -0.000 -2.711 6.727) 7.253 4.309 ( 0.000 4.360 10.348) 11.229 4.604 ( 0.000 0.143 -8.598) 8.599 5.314 ( -0.000 -7.889 4.035) 8.861 5.731 ( 0.000 19.092 -5.172) 19.780 5.876 ( 0.000 9.379 -16.528) 19.003 6.030 ( 0.000 3.491 -6.447) 7.332 6.279 ( -0.000 -2.774 -5.603) 6.252 6.505 ( -0.000 -7.420 6.622) 9.945 6.604 ( -0.000 -7.506 -4.221) 8.612 6.716 ( -0.000 -4.869 -0.443) 4.889 6.963 ( -0.000 -9.947 9.728) 13.913 7.166 ( 0.000 4.585 3.722) 5.906 7.427 ( -0.000 -0.576 -1.999) 2.081 7.703 ( -0.000 -1.160 6.452) 6.555 8.074 ( -0.000 -3.916 4.542) 5.997 8.779 ( -0.000 -0.600 -6.147) 6.176 9.009 ( 0.000 5.314 0.498) 5.337 9.615 ( 0.000 2.735 14.437) 14.694 9.947 ( -0.000 -5.178 -7.846) 9.401 10.855 ( -0.000 -4.756 0.823) 4.827 11.295 ( -0.000 -1.120 -3.579) 3.750 11.775 ( 0.000 8.706 -2.831) 9.154 13.482 ( -0.000 -1.212 22.412) 22.445 16.226 ( -0.000 -1.499 -2.715) 3.101 20.129 ( -0.000 -0.779 6.176) 6.225 22.402 ( -0.000 -11.540 -10.960) 15.915 22.811 ( -0.000 -1.589 1.351) 2.085 23.059 ( 0.000 0.664 1.044) 1.237 23.283 ( 0.000 0.447 -0.487) 0.661 23.687 ( 0.000 13.412 -3.304) 13.813 ======================= Grid point 115 (45/150) ======================= q-point: ( 0.33 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 13.796 0.000 17.709) 22.448 1.856 ( 26.367 0.000 4.683) 26.779 2.733 ( -39.036 -0.000 10.606) 40.452 3.107 ( 18.193 0.000 -0.681) 18.206 4.066 ( -4.276 -0.000 1.520) 4.538 4.527 ( -10.671 -0.000 2.360) 10.929 4.799 ( 10.656 0.000 -2.688) 10.990 4.805 ( 2.300 0.000 -13.932) 14.121 5.346 ( 1.465 0.000 -8.113) 8.244 5.353 ( 16.054 0.000 -5.800) 17.069 5.640 ( -2.264 -0.000 0.075) 2.265 6.122 ( 3.912 0.000 -15.147) 15.644 6.175 ( -17.777 -0.000 -1.806) 17.869 6.427 ( -1.679 -0.000 -5.815) 6.052 6.616 ( -4.107 -0.000 -4.419) 6.033 6.927 ( -1.694 -0.000 2.808) 3.280 7.100 ( -0.983 -0.000 8.410) 8.467 7.265 ( 7.514 0.000 7.515) 10.627 7.274 ( -10.605 -0.000 5.430) 11.914 7.454 ( -0.407 -0.000 -6.251) 6.264 8.256 ( -2.585 -0.000 1.033) 2.784 8.914 ( -5.624 -0.000 21.369) 22.097 8.949 ( -0.476 -0.000 -3.456) 3.489 9.648 ( 2.866 0.000 8.369) 8.846 9.808 ( -3.297 -0.000 5.326) 6.264 10.211 ( -2.949 -0.000 -0.654) 3.021 11.556 ( 11.623 0.000 -2.374) 11.863 12.049 ( -0.842 -0.000 -7.064) 7.114 13.458 ( -4.043 -0.000 23.008) 23.360 15.830 ( 1.024 0.000 -0.986) 1.422 20.151 ( -2.371 -0.000 9.206) 9.507 21.195 ( 4.688 0.000 -1.592) 4.951 22.827 ( -4.088 -0.000 1.419) 4.327 22.990 ( -0.424 -0.000 0.841) 0.942 23.356 ( 4.101 0.000 -1.077) 4.240 24.682 ( -0.125 -0.000 -12.356) 12.356 ======================= Grid point 116 (46/150) ======================= q-point: ( 0.44 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 7.273 -6.601 13.525) 16.715 2.126 ( 10.715 -0.425 2.730) 11.065 2.403 ( -17.971 -5.661 14.646) 23.865 3.074 ( -2.241 12.952 -6.568) 14.694 3.961 ( -7.983 7.864 7.097) 13.264 4.468 ( 11.348 -1.946 1.596) 11.624 4.641 ( 0.090 16.077 -13.260) 20.840 4.974 ( 10.523 -3.867 -3.947) 11.886 5.449 ( -2.871 -10.114 -3.812) 11.184 5.563 ( 8.892 -2.015 -5.883) 10.851 5.714 ( 1.624 -6.837 -5.334) 8.823 5.979 ( -7.417 1.163 -2.116) 7.800 6.175 ( 0.328 -1.962 -12.171) 12.333 6.358 ( -1.115 4.824 -3.493) 6.059 6.543 ( -3.467 1.876 -2.173) 4.501 6.878 ( -5.676 4.045 2.906) 7.551 7.051 ( -0.688 -2.083 2.311) 3.187 7.248 ( 2.334 4.739 3.247) 6.201 7.335 ( -5.201 -6.193 6.185) 10.181 7.426 ( -1.645 0.721 -0.484) 1.860 8.169 ( -4.113 5.715 2.805) 7.580 8.856 ( -0.738 0.314 12.683) 12.708 8.957 ( -0.815 -0.206 -2.654) 2.784 9.700 ( 4.047 -0.981 10.701) 11.483 9.892 ( -4.487 -12.635 4.017) 13.997 10.160 ( -2.293 2.211 -0.216) 3.193 11.613 ( 9.689 6.066 -2.604) 11.724 12.024 ( -2.282 0.299 -4.450) 5.010 13.427 ( -1.721 -0.086 20.410) 20.483 15.892 ( 0.185 -5.481 -1.407) 5.661 20.127 ( -0.983 0.588 7.165) 7.256 21.330 ( 2.852 -9.841 -2.496) 10.545 22.794 ( -3.474 -0.531 1.937) 4.013 22.996 ( -0.267 -1.103 0.723) 1.345 23.383 ( 2.837 1.117 -1.146) 3.257 24.603 ( 0.167 7.975 -9.401) 12.329 ======================= Grid point 117 (47/150) ======================= q-point: ( 0.56 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -10.780 5.736 13.716) 18.365 2.195 ( 2.436 -12.397 2.030) 12.796 2.595 ( 7.109 1.770 2.781) 7.836 2.761 ( -5.417 3.431 9.054) 11.094 3.754 ( -7.628 4.193 -0.640) 8.728 4.294 ( 0.193 20.201 -12.188) 23.594 4.639 ( 8.699 0.973 -0.102) 8.754 5.145 ( 14.264 0.412 -4.740) 15.037 5.429 ( -11.687 5.507 -5.673) 14.110 5.683 ( 0.142 -12.796 8.210) 15.204 5.840 ( 1.764 -6.615 -8.367) 10.811 6.062 ( 6.626 -3.543 -4.130) 8.574 6.217 ( 1.673 -2.111 -12.453) 12.741 6.300 ( 2.814 0.898 -0.803) 3.061 6.478 ( -10.798 -2.997 0.521) 11.218 6.730 ( -1.542 8.964 -0.299) 9.100 7.071 ( 1.638 14.471 1.812) 14.676 7.134 ( 0.788 -5.351 0.330) 5.418 7.370 ( 0.045 -0.913 7.210) 7.268 7.449 ( -7.359 -7.785 2.658) 11.038 8.017 ( -2.739 5.596 3.548) 7.170 8.896 ( 0.720 -4.017 5.167) 6.584 8.933 ( -0.457 2.010 -4.906) 5.322 9.735 ( 2.404 0.912 13.968) 14.203 10.024 ( -2.441 0.570 -4.486) 5.139 10.197 ( -1.551 -14.204 5.488) 15.306 11.540 ( 4.898 9.925 -2.361) 11.317 12.007 ( -1.154 -0.103 -3.057) 3.269 13.426 ( -0.463 -0.914 19.461) 19.488 16.003 ( -0.212 -6.549 -1.897) 6.822 20.114 ( -0.241 0.215 5.884) 5.893 21.578 ( 1.433 -15.025 -4.013) 15.618 22.774 ( -2.505 -0.693 2.196) 3.402 23.021 ( -0.127 -1.752 0.517) 1.831 23.372 ( 1.061 2.350 -1.017) 2.772 24.425 ( 0.875 12.233 -7.124) 14.183 ======================= Grid point 118 (48/150) ======================= q-point: ( 0.67 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -0.000 -3.152 16.347) 16.648 2.319 ( 0.000 15.783 5.204) 16.619 2.506 ( -0.000 -18.710 -2.838) 18.924 2.918 ( -0.000 -5.044 9.950) 11.155 3.676 ( 0.000 0.236 -6.441) 6.445 3.983 ( 0.000 12.248 -8.749) 15.052 4.634 ( 0.000 2.163 -2.098) 3.013 5.104 ( 0.000 18.298 5.420) 19.084 5.233 ( 0.000 2.304 -5.362) 5.836 5.942 ( -0.000 -2.511 -4.894) 5.500 5.972 ( -0.000 -13.436 4.551) 14.186 6.145 ( -0.000 -4.860 -6.527) 8.138 6.226 ( 0.000 0.069 -10.638) 10.639 6.417 ( -0.000 -4.518 1.186) 4.671 6.474 ( -0.000 -8.130 -1.352) 8.242 6.492 ( 0.000 16.873 -6.289) 18.007 6.857 ( 0.000 7.983 8.387) 11.578 7.214 ( -0.000 -2.271 2.721) 3.544 7.386 ( -0.000 -0.343 2.893) 2.913 7.544 ( -0.000 -7.525 3.588) 8.336 7.955 ( -0.000 -0.324 3.762) 3.776 8.870 ( 0.000 4.137 -7.626) 8.676 8.994 ( -0.000 -5.225 1.515) 5.440 9.716 ( 0.000 2.351 15.203) 15.383 9.951 ( 0.000 4.170 -5.558) 6.948 10.480 ( -0.000 -16.078 3.461) 16.446 11.398 ( 0.000 7.857 -1.728) 8.045 11.984 ( 0.000 2.492 -2.922) 3.841 13.444 ( -0.000 -1.192 19.821) 19.857 16.109 ( -0.000 -5.237 -2.237) 5.695 20.113 ( -0.000 -0.189 5.389) 5.392 21.874 ( -0.000 -16.770 -5.983) 17.805 22.771 ( -0.000 -0.717 2.163) 2.279 23.050 ( -0.000 -1.439 0.392) 1.491 23.331 ( 0.000 2.440 -0.745) 2.551 24.193 ( 0.000 14.226 -5.602) 15.289 ======================= Grid point 126 (49/150) ======================= q-point: ( 0.44 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 7.912 0.000 15.850) 17.715 2.083 ( -20.880 -0.000 15.664) 26.102 2.310 ( 15.208 0.000 8.612) 17.477 3.158 ( -6.134 -0.000 -21.860) 22.704 4.120 ( 4.407 0.000 18.508) 19.025 4.359 ( -4.645 -0.000 3.194) 5.637 4.810 ( -0.441 -0.000 -14.719) 14.726 5.024 ( 9.931 0.000 -3.346) 10.479 5.342 ( -2.065 -0.000 -7.977) 8.239 5.649 ( 1.485 0.000 -4.295) 4.544 5.734 ( 16.717 0.000 -9.550) 19.252 5.869 ( -9.616 -0.000 0.205) 9.618 6.127 ( -4.494 -0.000 -9.422) 10.439 6.369 ( -2.227 -0.000 -10.148) 10.390 6.577 ( -0.041 -0.000 -4.000) 4.000 6.858 ( -3.194 -0.000 3.455) 4.705 7.052 ( -8.080 -0.000 1.989) 8.321 7.088 ( -0.010 -0.000 8.740) 8.740 7.382 ( 3.113 0.000 7.633) 8.243 7.457 ( 0.199 0.000 -4.670) 4.675 8.199 ( -1.965 -0.000 3.954) 4.415 8.858 ( -0.846 -0.000 17.019) 17.040 8.942 ( -0.209 -0.000 -4.113) 4.118 9.690 ( 0.955 0.000 3.039) 3.185 9.768 ( -0.594 -0.000 11.638) 11.654 10.161 ( -1.518 -0.000 -0.573) 1.622 11.761 ( 7.370 0.000 -3.214) 8.040 11.993 ( -3.689 -0.000 -3.309) 4.955 13.413 ( -0.876 -0.000 19.288) 19.308 15.845 ( 0.387 0.000 -1.253) 1.312 20.124 ( -0.562 -0.000 6.723) 6.746 21.268 ( 2.022 0.000 -2.467) 3.190 22.763 ( -1.804 -0.000 2.492) 3.077 22.984 ( -0.133 -0.000 0.740) 0.752 23.419 ( 1.750 0.000 -1.342) 2.206 24.669 ( -0.616 -0.000 -8.848) 8.869 ======================= Grid point 127 (50/150) ======================= q-point: ( 0.56 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.000 5.031 15.061) 15.879 2.021 ( -0.000 -6.717 11.859) 13.629 2.495 ( -0.000 -10.517 12.733) 16.515 2.981 ( 0.000 15.109 -18.158) 23.622 3.865 ( 0.000 13.967 9.878) 17.107 4.627 ( -0.000 -12.749 4.018) 13.367 4.634 ( 0.000 16.635 -13.386) 21.352 5.128 ( -0.000 -7.097 -3.256) 7.808 5.366 ( -0.000 -1.727 -7.518) 7.714 5.639 ( 0.000 6.833 -0.219) 6.836 5.716 ( -0.000 -6.352 -6.290) 8.939 6.057 ( -0.000 -12.111 -9.428) 15.348 6.094 ( -0.000 -0.664 -4.515) 4.563 6.350 ( 0.000 0.715 -10.341) 10.365 6.478 ( 0.000 8.190 1.595) 8.344 6.821 ( 0.000 2.944 1.769) 3.434 7.047 ( -0.000 -4.179 1.022) 4.302 7.190 ( -0.000 -8.976 5.038) 10.293 7.354 ( 0.000 10.675 -1.846) 10.833 7.396 ( 0.000 0.243 7.441) 7.445 8.122 ( 0.000 6.522 4.132) 7.721 8.852 ( -0.000 -0.723 12.644) 12.664 8.947 ( -0.000 -0.208 -4.917) 4.921 9.763 ( 0.000 0.419 13.876) 13.882 9.829 ( -0.000 -13.263 1.312) 13.328 10.134 ( 0.000 1.754 0.002) 1.754 11.732 ( 0.000 7.512 -3.336) 8.219 11.982 ( -0.000 -1.241 -2.550) 2.836 13.412 ( -0.000 -0.398 18.944) 18.948 15.895 ( -0.000 -4.996 -1.494) 5.215 20.118 ( 0.000 0.339 6.206) 6.215 21.363 ( -0.000 -9.213 -2.984) 9.685 22.755 ( -0.000 -0.202 2.599) 2.607 22.994 ( -0.000 -1.110 0.649) 1.286 23.414 ( 0.000 1.531 -1.295) 2.005 24.601 ( 0.000 6.977 -8.008) 10.621 ======================= Grid point 170 (51/150) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 0.000 0.000 30.216) 30.216 1.444 ( 0.000 0.000 33.861) 33.861 2.049 ( 0.000 0.000 45.407) 45.407 3.716 ( 0.000 0.000 -9.587) 9.587 4.253 ( 0.000 0.000 -4.634) 4.634 4.327 ( 0.000 0.000 -25.027) 25.027 4.573 ( 0.000 0.000 -25.793) 25.793 5.104 ( 0.000 0.000 -15.270) 15.270 5.185 ( 0.000 0.000 -24.447) 24.447 5.362 ( 0.000 0.000 9.021) 9.021 5.597 ( 0.000 0.000 11.758) 11.758 6.052 ( 0.000 0.000 -0.156) 0.156 6.180 ( 0.000 0.000 4.274) 4.274 6.805 ( 0.000 0.000 -7.965) 7.965 6.951 ( 0.000 0.000 7.521) 7.521 7.002 ( 0.000 0.000 5.918) 5.918 7.009 ( 0.000 0.000 -2.872) 2.872 7.203 ( 0.000 0.000 11.891) 11.891 7.232 ( 0.000 0.000 -0.677) 0.677 7.402 ( 0.000 0.000 -4.626) 4.626 8.356 ( 0.000 0.000 11.567) 11.567 8.953 ( 0.000 0.000 -1.051) 1.051 9.803 ( 0.000 0.000 14.396) 14.396 10.069 ( 0.000 0.000 3.928) 3.928 10.254 ( 0.000 0.000 -3.328) 3.328 10.411 ( 0.000 0.000 -3.354) 3.354 10.988 ( 0.000 0.000 -4.772) 4.772 11.216 ( 0.000 0.000 -5.198) 5.198 14.890 ( 0.000 0.000 8.389) 8.389 15.765 ( 0.000 0.000 -0.976) 0.976 21.007 ( 0.000 0.000 1.712) 1.712 21.679 ( 0.000 0.000 -5.340) 5.340 22.986 ( 0.000 0.000 -0.516) 0.516 22.986 ( 0.000 0.000 0.723) 0.723 23.030 ( 0.000 0.000 -0.998) 0.998 23.240 ( 0.000 0.000 -1.721) 1.721 ======================= Grid point 171 (52/150) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 5.289 -6.578 28.490) 29.714 1.484 ( 5.751 -3.118 31.231) 31.909 2.311 ( 9.987 -22.171 39.649) 46.511 3.676 ( 3.213 6.982 -11.617) 13.930 4.235 ( -5.842 4.104 -17.866) 19.240 4.279 ( -0.124 -0.419 -7.094) 7.108 4.642 ( -3.969 -6.224 -23.098) 24.249 4.907 ( -0.809 12.064 -13.214) 17.911 5.091 ( -6.227 17.898 7.419) 20.351 5.307 ( -2.090 -4.657 -13.509) 14.442 5.517 ( -4.663 1.841 2.826) 5.755 6.064 ( 7.248 4.350 2.855) 8.922 6.335 ( -1.656 -12.977 -1.042) 13.124 6.651 ( -3.902 12.282 0.824) 12.913 6.837 ( -3.832 4.249 -1.669) 5.960 6.963 ( -0.013 3.273 0.352) 3.292 7.029 ( 2.501 2.528 2.819) 4.538 7.232 ( -2.838 -2.968 -1.151) 4.265 7.355 ( 4.110 -7.976 4.066) 9.851 7.511 ( 2.947 -8.489 2.812) 9.415 8.356 ( 0.480 0.467 10.766) 10.787 8.925 ( -0.703 2.815 -1.050) 3.086 9.639 ( -3.501 28.166 12.127) 30.865 9.810 ( -0.396 -0.999 14.151) 14.191 10.191 ( 0.586 5.551 -4.499) 7.170 10.631 ( -14.303 -18.612 -4.616) 23.923 11.000 ( 1.473 -0.131 -3.442) 3.746 11.347 ( 14.450 -4.269 -7.830) 16.980 14.577 ( -8.054 19.942 21.762) 30.597 15.913 ( -1.758 -11.132 -5.527) 12.552 20.729 ( -2.749 18.415 11.463) 21.865 21.775 ( -27.422 -20.824 -8.702) 35.516 22.966 ( 0.594 1.458 -0.250) 1.594 23.041 ( 3.525 -1.457 -0.594) 3.860 23.134 ( 5.344 -3.217 -2.499) 6.720 23.343 ( 21.664 0.491 -7.289) 22.862 ======================= Grid point 172 (53/150) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 5.390 -12.163 22.517) 26.153 1.745 ( 13.093 -12.076 23.487) 29.477 2.882 ( 10.868 -23.844 26.034) 36.938 3.517 ( 2.105 13.930 -10.661) 17.667 4.035 ( -15.238 6.255 -3.119) 16.764 4.188 ( -4.516 7.647 -9.494) 13.000 4.497 ( -1.717 21.673 1.544) 21.796 4.770 ( 4.870 -3.542 -5.620) 8.237 4.980 ( -7.480 -10.017 -10.253) 16.168 5.281 ( 0.182 1.252 -5.642) 5.782 5.571 ( 1.680 -6.136 -15.513) 16.767 5.998 ( 8.831 11.747 2.111) 14.847 6.365 ( -9.224 9.886 0.680) 13.539 6.477 ( -7.765 -3.600 -3.810) 9.369 6.736 ( -0.228 5.360 -5.303) 7.544 6.888 ( -5.145 -1.904 4.399) 7.032 7.043 ( 3.975 0.948 0.869) 4.178 7.265 ( 1.980 -1.765 0.435) 2.688 7.491 ( 3.229 -2.562 2.027) 4.593 7.687 ( -0.204 -8.173 6.248) 10.289 8.336 ( -0.424 2.274 8.758) 9.058 8.841 ( -1.447 5.168 -1.670) 5.621 9.217 ( -0.760 15.391 12.318) 19.728 9.825 ( -1.104 -1.135 11.344) 11.454 10.078 ( 2.055 7.857 -3.171) 8.719 10.767 ( -12.959 -13.828 -3.067) 19.198 11.011 ( 2.353 1.264 -1.660) 3.145 11.574 ( 12.496 -4.316 -8.770) 15.865 14.226 ( -5.553 10.593 29.458) 31.793 16.043 ( -2.752 -6.356 -5.981) 9.151 20.460 ( -2.565 8.727 13.303) 16.115 21.824 ( -21.177 -13.276 -9.076) 26.591 22.954 ( 0.248 0.406 -0.709) 0.854 23.107 ( 0.355 -3.728 -0.339) 3.760 23.204 ( 2.035 -1.489 -1.354) 2.862 23.541 ( 21.795 4.659 -10.701) 24.723 ======================= Grid point 173 (54/150) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 7.597 -18.754 10.110) 22.620 2.102 ( 10.343 -13.352 19.240) 25.602 3.050 ( -5.383 11.093 9.517) 15.576 3.328 ( 7.323 10.306 -5.482) 13.780 3.730 ( -20.812 6.443 3.982) 22.147 4.052 ( 0.482 15.398 -2.634) 15.630 4.255 ( 3.006 -10.337 9.746) 14.521 4.944 ( 10.735 -2.339 -0.113) 10.987 5.112 ( -7.495 -13.471 -4.709) 16.119 5.329 ( 3.937 -2.897 -16.885) 17.578 5.660 ( 2.282 0.365 -14.858) 15.036 5.892 ( 4.745 6.455 -4.844) 9.363 6.108 ( -6.468 8.474 -1.950) 10.837 6.345 ( -8.796 6.880 -1.773) 11.307 6.629 ( -3.755 2.618 -2.657) 5.293 6.923 ( 2.002 0.008 1.691) 2.621 7.096 ( -1.492 -7.069 3.817) 8.171 7.332 ( 3.134 -1.122 0.068) 3.330 7.496 ( -0.546 2.774 6.647) 7.223 7.789 ( 0.126 -3.594 4.923) 6.097 8.268 ( -1.798 3.490 6.679) 7.748 8.727 ( -1.330 5.454 -3.586) 6.662 9.067 ( 1.289 3.166 6.171) 7.054 9.796 ( -1.643 3.504 -2.982) 4.885 9.999 ( 3.056 2.994 10.104) 10.972 10.873 ( -8.935 -10.512 -1.675) 13.898 11.004 ( 2.774 2.350 -0.660) 3.695 11.737 ( 7.536 -2.493 -7.688) 11.050 14.068 ( -2.561 3.445 30.208) 30.512 16.099 ( -1.928 -3.017 -5.279) 6.378 20.340 ( -1.307 3.329 11.522) 12.064 21.832 ( -12.145 -7.091 -9.347) 16.887 22.955 ( 0.115 -0.250 -1.343) 1.371 23.176 ( -1.626 -4.473 -0.448) 4.780 23.240 ( 2.460 -0.020 -0.919) 2.626 23.620 ( 12.845 5.606 -8.096) 16.186 ======================= Grid point 174 (55/150) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 0.202 -3.616 19.607) 19.939 2.462 ( 6.625 -18.189 5.299) 20.070 2.802 ( -1.541 10.511 3.246) 11.108 3.202 ( 13.638 10.595 -0.472) 17.276 3.395 ( -22.512 4.410 5.888) 23.684 3.830 ( -0.764 6.182 -8.222) 10.315 4.606 ( 5.588 -14.104 14.639) 21.082 4.984 ( 3.018 4.999 6.938) 9.068 5.301 ( -1.184 -10.084 -1.902) 10.329 5.408 ( 1.591 -1.548 -16.240) 16.391 5.651 ( 3.325 2.106 -10.229) 10.960 5.799 ( -3.805 2.782 -13.203) 14.020 6.004 ( 2.868 3.142 -8.393) 9.410 6.110 ( -7.368 6.750 -5.335) 11.328 6.606 ( -1.118 -1.676 2.001) 2.840 6.938 ( 2.782 0.171 6.689) 7.247 7.210 ( -0.436 -4.655 2.729) 5.414 7.285 ( -4.635 3.234 -2.036) 6.008 7.485 ( 3.371 0.360 10.188) 10.737 7.819 ( -0.390 -0.353 2.597) 2.650 8.204 ( -1.035 1.369 6.732) 6.947 8.641 ( -0.476 2.582 -5.801) 6.367 9.072 ( 0.737 -0.865 2.254) 2.525 9.708 ( -0.562 3.273 -11.620) 12.086 10.006 ( 1.212 -0.086 17.980) 18.021 10.950 ( -5.733 -6.371 -0.861) 8.614 10.986 ( 3.706 3.453 -0.445) 5.085 11.817 ( 2.515 -0.764 -6.833) 7.321 14.020 ( -0.703 0.647 30.007) 30.022 16.119 ( -0.664 -0.890 -4.944) 5.067 20.297 ( -0.386 0.845 10.390) 10.431 21.832 ( -3.938 -2.244 -9.585) 10.603 22.961 ( 0.036 -0.218 -1.884) 1.897 23.225 ( -2.046 -2.906 -0.981) 3.687 23.254 ( 2.153 1.048 -0.363) 2.422 23.630 ( 4.288 2.493 -5.951) 7.747 ======================= Grid point 180 (56/150) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 10.347 0.000 26.933) 28.852 1.516 ( 6.790 0.000 31.847) 32.563 2.276 ( 22.742 0.000 39.355) 45.453 3.793 ( 5.185 0.000 -7.639) 9.233 4.193 ( -6.958 -0.000 -16.621) 18.019 4.353 ( 3.946 0.000 -11.347) 12.014 4.427 ( -11.945 -0.000 -20.487) 23.715 5.051 ( -2.808 -0.000 -12.484) 12.796 5.104 ( -13.811 -0.000 -8.248) 16.086 5.242 ( -6.064 -0.000 -0.283) 6.071 5.543 ( 1.190 0.000 -0.139) 1.198 6.008 ( -4.617 -0.000 0.246) 4.623 6.301 ( 5.937 0.000 0.039) 5.937 6.745 ( -13.092 -0.000 0.486) 13.101 6.851 ( 4.332 0.000 -7.014) 8.244 6.987 ( -10.631 -0.000 0.141) 10.632 7.046 ( 4.877 0.000 8.978) 10.217 7.207 ( 3.428 0.000 -3.686) 5.034 7.256 ( 4.085 0.000 10.709) 11.462 7.517 ( 6.492 0.000 0.098) 6.493 8.364 ( 0.360 0.000 10.153) 10.160 8.942 ( -1.100 -0.000 -1.344) 1.737 9.798 ( -0.335 -0.000 12.521) 12.526 10.046 ( -2.068 -0.000 4.860) 5.282 10.050 ( -25.664 -0.000 6.970) 26.594 10.259 ( 0.332 0.000 -1.639) 1.672 11.051 ( 6.798 0.000 -4.403) 8.100 11.474 ( 16.404 0.000 -10.904) 19.698 14.641 ( -19.893 -0.000 19.390) 27.780 15.771 ( 0.528 0.000 -1.153) 1.268 21.027 ( 1.955 0.000 1.069) 2.228 21.099 ( -33.636 -0.000 14.187) 36.505 22.966 ( -1.745 -0.000 0.214) 1.758 23.032 ( 0.019 0.000 0.305) 0.306 23.165 ( 3.995 0.000 -1.798) 4.381 23.670 ( 32.488 0.000 -20.101) 38.203 ======================= Grid point 181 (57/150) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 9.804 -2.103 26.388) 28.229 1.693 ( 11.951 -8.518 24.425) 28.495 2.696 ( 24.677 -15.178 29.603) 41.420 3.736 ( -2.524 7.801 -4.818) 9.510 3.996 ( -14.447 9.192 -12.957) 21.472 4.259 ( -0.841 3.536 -11.969) 12.508 4.584 ( -0.856 -9.472 -8.269) 12.603 4.824 ( -11.074 6.183 -2.997) 13.033 4.926 ( -0.561 12.982 -3.604) 13.484 5.238 ( -2.347 -5.049 -8.946) 10.537 5.537 ( 5.186 -0.123 -13.793) 14.736 6.122 ( -5.149 -10.724 -1.569) 11.999 6.293 ( -1.755 3.253 -2.680) 4.565 6.518 ( -7.464 10.501 2.715) 13.167 6.759 ( -8.191 0.832 1.439) 8.358 6.905 ( 1.621 6.796 -4.814) 8.485 7.094 ( 1.757 0.744 2.037) 2.791 7.270 ( 4.679 -1.461 -0.066) 4.902 7.368 ( -0.850 -7.480 7.542) 10.656 7.613 ( 3.909 -4.442 3.365) 6.807 8.358 ( -0.734 1.004 8.511) 8.601 8.900 ( -1.602 3.079 -1.885) 3.949 9.500 ( -9.543 19.692 13.297) 25.606 9.803 ( -0.024 -0.698 10.487) 10.511 10.200 ( -0.594 2.652 -0.316) 2.736 10.324 ( -11.326 -17.225 2.904) 20.819 11.111 ( 8.527 2.568 -3.882) 9.714 11.648 ( 12.640 -2.048 -11.063) 16.922 14.326 ( -13.780 9.853 27.838) 32.587 15.872 ( -1.617 -8.526 -3.307) 9.286 20.601 ( -9.325 12.547 14.516) 21.333 21.324 ( -11.754 -19.688 -0.971) 22.950 22.946 ( -1.811 -0.089 0.161) 1.820 23.047 ( -0.661 -1.817 0.888) 2.128 23.212 ( 3.407 -0.914 -1.360) 3.780 23.900 ( 23.085 6.535 -20.136) 31.322 ======================= Grid point 182 (58/150) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 12.624 -11.292 15.425) 22.908 1.990 ( 9.612 -10.660 18.231) 23.204 3.081 ( 3.955 -3.683 15.114) 16.051 3.478 ( -17.655 7.984 5.385) 20.111 3.744 ( 2.059 10.018 -7.789) 12.856 4.175 ( 3.870 1.364 -3.572) 5.440 4.368 ( -9.726 17.256 7.229) 21.086 4.789 ( -4.390 -9.230 -4.560) 11.192 5.013 ( 13.648 -5.926 -12.681) 19.550 5.325 ( 2.829 -4.109 -14.088) 14.945 5.636 ( 4.193 -3.821 -16.368) 17.324 6.077 ( -2.918 9.439 -3.052) 10.340 6.175 ( -10.634 3.590 -4.411) 12.060 6.346 ( -1.386 2.032 3.185) 4.024 6.726 ( -1.859 10.136 -3.733) 10.961 6.797 ( -2.879 -8.693 4.852) 10.363 7.069 ( 0.694 2.999 1.402) 3.383 7.324 ( -0.273 -1.456 -0.042) 1.482 7.452 ( -2.269 -3.853 5.637) 7.195 7.727 ( 0.989 -4.816 5.232) 7.180 8.298 ( -3.466 3.296 6.637) 8.181 8.810 ( -1.257 4.913 -3.498) 6.161 9.181 ( -2.868 9.494 10.880) 14.722 9.815 ( 0.323 0.084 5.183) 5.193 10.114 ( 1.164 5.902 3.839) 7.136 10.518 ( -9.826 -16.358 2.440) 19.238 11.130 ( 8.232 4.694 -2.849) 9.895 11.786 ( 7.834 -1.396 -9.180) 12.149 14.097 ( -6.180 4.465 30.153) 31.101 15.989 ( -2.180 -6.618 -4.343) 8.211 20.389 ( -4.005 4.987 12.619) 14.148 21.522 ( -8.119 -14.405 -5.355) 17.381 22.935 ( -1.830 -0.751 -0.034) 1.978 23.079 ( -1.719 -3.090 1.082) 3.698 23.259 ( 2.727 -0.539 -1.076) 2.981 23.933 ( 14.819 10.562 -14.498) 23.267 ======================= Grid point 183 (59/150) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( 6.176 -9.089 8.575) 13.938 2.234 ( 4.173 -13.620 14.119) 20.057 2.963 ( -3.704 8.568 8.962) 12.940 3.160 ( -22.649 4.391 8.429) 24.562 3.600 ( 9.761 12.703 -8.173) 17.985 3.955 ( -9.003 13.078 -0.660) 15.891 4.447 ( 11.610 -13.003 11.778) 21.038 4.929 ( -3.822 -8.865 -1.491) 9.768 5.202 ( 7.792 -1.048 -9.045) 11.984 5.431 ( 6.041 -2.579 -15.948) 17.248 5.719 ( 3.848 -1.137 -14.627) 15.167 5.876 ( -1.901 7.795 -3.990) 8.961 6.050 ( -3.221 0.784 -7.837) 8.510 6.282 ( 3.825 11.754 2.896) 12.696 6.535 ( -5.434 1.529 -2.433) 6.147 6.963 ( 0.792 -7.070 2.194) 7.445 7.046 ( -2.811 -3.123 7.738) 8.805 7.284 ( -5.544 1.355 0.831) 5.768 7.486 ( -0.407 -1.089 5.138) 5.268 7.788 ( -1.806 -2.476 4.019) 5.054 8.197 ( -4.894 1.908 6.130) 8.073 8.713 ( -0.072 5.054 -5.776) 7.675 9.075 ( -0.474 1.457 5.414) 5.627 9.779 ( -0.109 4.182 -5.972) 7.292 10.048 ( 1.774 2.929 14.100) 14.510 10.696 ( -6.988 -13.039 1.862) 14.910 11.122 ( 7.366 4.875 -2.084) 9.076 11.853 ( 3.651 0.547 -7.510) 8.368 14.016 ( -2.295 0.581 30.030) 30.123 16.065 ( -1.302 -4.061 -4.600) 6.273 20.307 ( -1.741 1.524 10.719) 10.966 21.682 ( -2.827 -10.166 -8.126) 13.319 22.934 ( -2.135 -1.343 -0.493) 2.571 23.117 ( -2.855 -3.741 1.051) 4.822 23.282 ( 1.396 0.411 -0.839) 1.680 23.857 ( 9.325 11.352 -9.823) 17.672 ======================= Grid point 184 (60/150) ======================= q-point: ( 0.56 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -1.519 -4.431 22.173) 22.663 2.605 ( 5.963 -11.200 4.033) 13.314 2.755 ( -4.753 5.677 -2.266) 7.743 2.858 ( -19.467 4.876 8.638) 21.849 3.581 ( 12.592 2.237 4.435) 13.536 3.772 ( -0.649 -0.099 -8.286) 8.312 4.691 ( -1.361 -5.795 7.838) 9.842 4.926 ( -3.228 6.957 6.098) 9.798 5.236 ( -5.184 -4.796 -5.149) 8.740 5.511 ( 7.166 3.221 -15.941) 17.771 5.784 ( 5.939 -1.125 -12.544) 13.924 5.832 ( 8.648 5.469 -5.694) 11.710 6.003 ( -2.742 8.432 -7.767) 11.787 6.099 ( 6.580 -1.322 -5.345) 8.579 6.560 ( -3.149 -5.112 1.594) 6.211 6.960 ( -2.394 4.604 9.781) 11.072 7.136 ( -4.059 -9.006 1.348) 9.970 7.280 ( 1.772 -3.296 0.975) 3.867 7.441 ( -5.493 2.637 7.624) 9.760 7.804 ( -1.424 -2.047 2.383) 3.449 8.161 ( -2.804 -2.166 6.533) 7.432 8.645 ( 0.595 2.230 -6.271) 6.682 9.073 ( -0.539 -0.300 1.828) 1.929 9.704 ( 0.132 2.633 -11.572) 11.868 10.023 ( 0.435 1.989 18.524) 18.635 10.828 ( -4.473 -8.175 1.093) 9.382 11.116 ( 6.961 3.944 -1.932) 8.230 11.839 ( -0.248 2.955 -6.640) 7.272 14.008 ( -0.475 -0.882 29.917) 29.934 16.111 ( -0.175 -2.055 -4.812) 5.235 20.286 ( -0.651 -0.258 9.983) 10.008 21.831 ( 3.283 -6.514 -10.183) 12.527 22.935 ( -2.753 -1.493 -0.983) 3.283 23.147 ( -4.335 -3.431 0.945) 5.609 23.276 ( 0.383 1.040 -0.823) 1.380 23.734 ( 4.778 10.348 -7.020) 13.386 ======================= Grid point 185 (61/150) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( -6.259 9.598 19.444) 22.569 2.344 ( -4.518 23.770 4.990) 24.704 2.773 ( -3.390 -19.470 12.822) 23.558 3.051 ( 0.895 -16.830 -4.772) 17.516 3.681 ( -2.652 -8.818 -2.213) 9.470 3.957 ( 18.893 -5.840 -2.370) 19.917 4.537 ( -1.781 19.572 13.293) 23.727 4.764 ( -15.057 -3.082 3.957) 15.871 5.307 ( -1.764 -4.881 -7.058) 8.760 5.453 ( 5.895 10.364 -13.436) 17.963 5.628 ( -0.644 9.621 -8.649) 12.953 5.845 ( -2.628 2.491 -16.221) 16.620 6.055 ( 8.852 -6.994 -4.034) 11.981 6.315 ( 12.504 -7.560 -1.080) 14.651 6.611 ( -0.275 -3.492 0.512) 3.540 6.873 ( -4.364 0.096 4.901) 6.562 7.207 ( -0.611 0.626 0.420) 0.970 7.290 ( -7.374 0.016 5.903) 9.446 7.402 ( -0.189 -3.351 4.542) 5.647 7.828 ( 0.624 -0.723 4.309) 4.413 8.203 ( -0.685 -4.316 6.554) 7.877 8.661 ( 1.107 -2.981 -4.242) 5.301 9.047 ( -1.397 1.682 1.915) 2.906 9.726 ( 1.028 -4.426 -11.598) 12.456 9.976 ( -1.466 2.476 17.902) 18.132 10.896 ( -2.566 -3.639 0.286) 4.462 11.122 ( 7.702 3.992 -2.758) 9.103 11.743 ( -4.226 5.269 -6.421) 9.320 14.034 ( 0.548 -2.154 30.047) 30.129 16.135 ( 0.734 -0.314 -5.215) 5.276 20.301 ( 0.014 -1.852 10.347) 10.512 21.983 ( 9.534 -3.135 -12.286) 15.864 22.928 ( -3.756 -1.385 -1.026) 4.133 23.141 ( -6.010 -1.752 0.739) 6.303 23.262 ( 0.738 1.020 -1.055) 1.642 23.589 ( -0.146 8.628 -5.605) 10.289 ======================= Grid point 186 (62/150) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -3.316 17.175 18.960) 25.796 1.888 ( -7.031 19.024 17.166) 26.571 3.146 ( 3.318 -1.005 9.191) 9.823 3.218 ( -3.103 -12.497 -0.563) 12.889 3.891 ( -1.611 -18.573 2.157) 18.767 4.180 ( 7.940 2.473 1.835) 8.516 4.296 ( 6.698 -0.185 -5.996) 8.991 4.699 ( -10.952 -5.528 3.688) 12.811 5.239 ( 0.860 11.083 -18.621) 21.686 5.319 ( 4.369 7.574 -3.043) 9.258 5.631 ( -0.022 -5.196 -7.814) 9.384 5.733 ( -7.625 -0.054 -7.301) 10.557 6.289 ( 6.925 -8.828 -2.745) 11.551 6.547 ( 10.715 -4.404 -2.195) 11.791 6.683 ( 0.283 -2.706 -3.409) 4.362 6.852 ( -5.962 -4.279 3.024) 7.937 7.105 ( -0.020 8.682 0.871) 8.726 7.271 ( 0.678 -1.875 4.764) 5.164 7.417 ( -7.069 -1.673 1.473) 7.412 7.828 ( 2.485 3.512 6.430) 7.736 8.281 ( 0.004 -4.127 8.118) 9.107 8.754 ( 0.870 -5.638 -1.916) 6.018 9.037 ( -1.108 -3.986 6.598) 7.788 9.848 ( 3.336 -3.991 -0.763) 5.258 9.926 ( -3.862 -2.181 7.406) 8.632 10.913 ( -1.030 -0.539 -1.075) 1.583 11.125 ( 8.461 5.257 -4.541) 10.947 11.568 ( -7.330 7.453 -6.320) 12.216 14.109 ( 1.161 -5.885 30.200) 30.790 16.133 ( 1.042 1.821 -6.068) 6.421 20.358 ( 0.403 -4.593 11.674) 12.552 22.131 ( 13.415 0.222 -15.824) 20.746 22.908 ( -5.182 -1.614 -0.244) 5.433 23.092 ( -5.256 0.432 0.408) 5.289 23.253 ( 1.695 1.457 -1.122) 2.501 23.420 ( -4.962 7.526 -4.572) 10.108 ======================= Grid point 187 (63/150) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.000 13.414 26.604) 29.795 1.550 ( 0.000 10.835 25.937) 28.109 2.763 ( 0.000 30.072 29.552) 42.162 3.491 ( -0.000 -12.398 -12.765) 17.795 4.193 ( -0.000 -7.153 -6.641) 9.761 4.262 ( -0.000 -4.932 -7.354) 8.855 4.483 ( -0.000 -19.593 -7.184) 20.869 4.743 ( -0.000 -5.146 -3.663) 6.317 5.049 ( 0.000 9.161 -15.791) 18.256 5.315 ( -0.000 -3.770 1.947) 4.243 5.567 ( 0.000 5.543 -10.954) 12.276 5.861 ( -0.000 -11.625 3.306) 12.086 6.488 ( -0.000 -9.473 -2.296) 9.747 6.569 ( 0.000 8.804 -2.847) 9.253 6.766 ( -0.000 -7.090 -3.459) 7.888 6.907 ( -0.000 -1.351 3.085) 3.368 6.978 ( 0.000 0.586 0.236) 0.631 7.331 ( 0.000 2.961 0.147) 2.965 7.342 ( -0.000 -0.886 2.631) 2.776 7.716 ( 0.000 10.738 5.702) 12.158 8.334 ( -0.000 -1.879 9.988) 10.163 8.858 ( -0.000 -5.080 -0.952) 5.169 9.223 ( -0.000 -18.069 13.211) 22.383 9.842 ( 0.000 2.246 15.774) 15.933 10.051 ( -0.000 -9.181 -7.907) 12.116 10.892 ( 0.000 3.469 -4.171) 5.425 11.077 ( 0.000 6.535 -5.949) 8.837 11.369 ( 0.000 7.902 -5.394) 9.567 14.289 ( -0.000 -13.998 28.714) 31.944 16.077 ( 0.000 5.709 -7.232) 9.214 20.487 ( -0.000 -10.182 13.169) 16.646 22.177 ( 0.000 6.668 -20.400) 21.462 22.899 ( -0.000 -1.944 0.917) 2.149 23.038 ( 0.000 1.920 0.493) 1.982 23.230 ( 0.000 8.243 -2.854) 8.723 23.253 ( 0.000 0.581 -1.145) 1.284 ======================= Grid point 190 (64/150) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 15.251 0.000 22.338) 27.048 1.703 ( 10.910 0.000 27.594) 29.673 2.845 ( 26.759 0.000 22.420) 34.910 3.647 ( -23.969 -0.000 5.263) 24.540 4.025 ( -6.022 -0.000 -13.154) 14.467 4.338 ( 6.977 0.000 -15.872) 17.338 4.494 ( 9.532 0.000 -6.267) 11.408 4.778 ( -13.889 -0.000 -6.987) 15.547 5.048 ( 2.257 0.000 -12.733) 12.931 5.143 ( -3.702 -0.000 -0.061) 3.702 5.635 ( 6.177 0.000 -14.307) 15.583 5.853 ( -10.364 -0.000 0.264) 10.367 6.346 ( -0.755 -0.000 -5.639) 5.690 6.457 ( -14.822 -0.000 -2.084) 14.968 6.723 ( -12.712 -0.000 -1.493) 12.800 6.945 ( 3.888 0.000 -2.354) 4.546 7.190 ( 7.666 0.000 7.615) 10.806 7.277 ( 2.280 0.000 -4.887) 5.393 7.331 ( 3.172 0.000 10.890) 11.342 7.575 ( -1.769 -0.000 4.516) 4.850 8.360 ( -0.716 -0.000 7.320) 7.355 8.912 ( -1.680 -0.000 -2.198) 2.766 9.577 ( -18.767 -0.000 14.264) 23.573 9.791 ( -0.615 -0.000 7.632) 7.656 10.002 ( -1.445 -0.000 8.129) 8.256 10.260 ( -0.399 -0.000 2.002) 2.042 11.242 ( 11.115 0.000 -4.987) 12.183 11.749 ( 9.995 0.000 -11.544) 15.270 14.254 ( -15.726 -0.000 28.689) 32.716 15.785 ( 0.752 0.000 -1.586) 1.755 20.598 ( -16.059 -0.000 15.959) 22.640 21.082 ( 3.225 0.000 -0.645) 3.289 22.922 ( -2.361 -0.000 1.060) 2.588 23.027 ( -0.451 -0.000 1.554) 1.618 23.243 ( 4.036 0.000 -1.519) 4.312 24.165 ( 15.729 0.000 -22.217) 27.222 ======================= Grid point 191 (65/150) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 15.344 -1.543 20.207) 25.419 1.940 ( 12.627 -7.146 17.654) 22.851 3.085 ( 7.328 -2.056 11.266) 13.596 3.321 ( -29.872 3.712 12.181) 32.473 3.979 ( 10.564 4.226 -3.616) 11.938 4.298 ( 3.296 9.353 -12.492) 15.950 4.497 ( -7.904 9.548 1.870) 12.535 4.698 ( 2.333 -1.423 -6.021) 6.612 5.077 ( 12.888 -3.619 -13.190) 18.794 5.227 ( 0.975 -7.523 -12.375) 14.515 5.649 ( 4.281 0.104 -14.223) 14.853 5.916 ( -11.627 -11.266 -4.462) 16.793 6.195 ( -8.699 7.272 -4.219) 12.098 6.382 ( -5.673 0.464 -2.112) 6.071 6.596 ( -6.118 -2.331 2.437) 6.986 6.939 ( 0.399 6.607 -2.929) 7.238 7.153 ( 2.995 4.582 1.814) 5.767 7.311 ( -1.301 3.214 8.077) 8.789 7.382 ( 2.760 -4.398 0.501) 5.217 7.612 ( -3.826 -6.397 6.752) 10.058 8.323 ( -2.543 2.994 6.221) 7.357 8.867 ( -1.374 2.881 -3.110) 4.456 9.299 ( -8.855 9.470 13.694) 18.857 9.812 ( 0.712 -1.662 5.142) 5.451 10.121 ( -4.095 -10.261 8.141) 13.724 10.235 ( -1.018 -0.128 4.363) 4.482 11.318 ( 10.960 4.364 -4.889) 12.770 11.839 ( 6.039 -0.666 -9.811) 11.540 14.086 ( -9.036 2.782 29.967) 31.423 15.853 ( -0.373 -5.996 -2.647) 6.565 20.419 ( -7.236 4.181 13.122) 15.558 21.232 ( 0.023 -11.480 -2.696) 11.792 22.901 ( -2.404 -0.389 1.824) 3.042 23.032 ( -0.699 -1.136 1.702) 2.163 23.286 ( 3.638 -0.063 -1.528) 3.947 24.227 ( 9.898 7.034 -18.053) 21.757 ======================= Grid point 192 (66/150) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 12.389 -9.409 11.196) 19.167 2.111 ( 2.894 -1.275 12.051) 12.459 2.950 ( -21.165 4.571 12.535) 25.019 3.081 ( -5.369 1.614 11.805) 13.069 3.904 ( 3.387 12.897 -7.226) 15.166 4.110 ( -9.372 15.682 1.045) 18.299 4.399 ( 12.704 -5.426 3.006) 14.138 4.807 ( 6.169 -4.844 -6.111) 9.943 5.280 ( 6.669 -1.401 -17.548) 18.825 5.399 ( 7.544 -7.331 -14.541) 17.947 5.725 ( 4.030 -3.369 -11.061) 12.245 5.916 ( -8.074 -1.038 -7.898) 11.342 6.026 ( -3.534 2.206 -1.624) 4.471 6.335 ( -2.080 -1.628 0.089) 2.643 6.662 ( -3.810 -2.645 3.562) 5.848 6.766 ( -1.127 6.154 -0.009) 6.256 7.105 ( 2.488 4.344 2.297) 5.508 7.229 ( -5.695 0.844 6.496) 8.680 7.462 ( 1.066 -2.122 1.045) 2.595 7.676 ( -5.703 -5.681 6.068) 10.080 8.202 ( -5.333 5.047 5.789) 9.350 8.797 ( -0.069 4.116 -5.100) 6.554 9.112 ( -3.403 4.560 9.389) 10.978 9.837 ( 1.664 1.198 -0.833) 2.213 10.120 ( -0.447 3.246 10.944) 11.424 10.379 ( -4.137 -14.752 5.876) 16.409 11.315 ( 9.027 7.035 -4.251) 12.208 11.891 ( 2.702 -0.100 -7.782) 8.239 13.994 ( -3.722 0.405 29.907) 30.141 15.958 ( -0.913 -6.173 -3.692) 7.251 20.315 ( -2.915 1.982 10.809) 11.369 21.449 ( -0.335 -12.919 -5.976) 14.238 22.887 ( -2.596 -0.820 2.281) 3.551 23.051 ( -0.960 -1.896 1.550) 2.630 23.310 ( 2.208 0.815 -1.368) 2.722 24.146 ( 6.609 10.849 -13.222) 18.336 ======================= Grid point 193 (67/150) ======================= q-point: ( 0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -6.882 -2.423 18.665) 20.041 2.386 ( 8.103 -15.151 3.539) 17.542 2.661 ( -16.001 6.394 10.341) 20.096 3.037 ( 3.198 6.838 7.965) 10.974 3.717 ( -7.339 9.098 0.248) 11.692 3.819 ( 4.735 4.878 -2.430) 7.219 4.567 ( -0.230 -3.320 -0.294) 3.341 4.952 ( 5.159 -3.924 -4.935) 8.146 5.240 ( -3.604 6.258 -8.872) 11.439 5.594 ( 8.823 -3.847 -16.082) 18.742 5.804 ( 1.938 -0.092 -13.732) 13.868 5.904 ( 4.469 -1.867 -8.826) 10.068 6.069 ( 8.666 -4.251 1.790) 9.817 6.373 ( 2.476 8.673 1.555) 9.153 6.425 ( -3.877 5.569 -1.283) 6.905 6.826 ( -13.163 -10.611 5.600) 17.810 7.048 ( 0.243 3.488 8.668) 9.347 7.225 ( 1.168 -3.860 2.006) 4.504 7.460 ( -1.338 2.511 3.579) 4.572 7.704 ( -5.771 -5.086 3.192) 8.328 8.097 ( -4.058 0.064 5.802) 7.081 8.716 ( 0.222 4.786 -6.647) 8.194 9.057 ( -0.968 -0.196 4.188) 4.303 9.785 ( 0.524 5.267 -8.452) 9.972 10.072 ( 0.613 2.477 17.650) 17.833 10.596 ( -2.971 -13.178 4.058) 14.105 11.270 ( 6.220 6.276 -3.397) 9.467 11.891 ( 0.489 2.131 -6.670) 7.019 13.980 ( -1.168 -1.223 29.763) 29.811 16.047 ( -0.491 -4.584 -4.326) 6.322 20.276 ( -1.132 0.308 9.646) 9.717 21.681 ( 1.614 -12.383 -9.292) 15.566 22.875 ( -3.070 -1.063 2.507) 4.104 23.075 ( -1.229 -1.889 1.272) 2.588 23.303 ( 0.721 1.537 -1.127) 2.038 23.993 ( 4.181 12.269 -9.808) 16.254 ======================= Grid point 194 (68/150) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( -0.648 -7.287 22.868) 24.009 2.421 ( -10.655 -3.008 13.746) 17.650 2.729 ( 1.354 2.287 -3.576) 4.456 2.803 ( 2.565 3.464 2.330) 4.900 3.563 ( -4.236 0.221 -4.224) 5.987 3.989 ( 11.687 -10.675 6.196) 16.998 4.530 ( -9.436 0.507 -4.993) 10.687 4.928 ( 1.188 15.707 8.633) 17.962 5.147 ( -2.717 -6.003 -8.451) 10.716 5.649 ( 5.661 6.007 -17.388) 19.247 5.801 ( -2.963 0.788 -17.257) 17.527 5.976 ( 1.186 10.637 -10.664) 15.109 6.048 ( 5.912 5.111 -0.378) 7.824 6.345 ( 16.715 -6.926 4.421) 18.626 6.497 ( -1.683 -6.264 0.310) 6.494 6.783 ( -15.195 -3.247 6.153) 16.712 7.066 ( -1.887 -5.677 10.453) 12.044 7.278 ( -0.786 0.807 1.124) 1.592 7.409 ( 1.392 1.212 2.644) 3.225 7.761 ( -1.994 -5.657 3.626) 7.009 8.112 ( -1.453 -4.193 5.964) 7.434 8.655 ( 0.311 1.661 -6.016) 6.249 9.060 ( -0.448 0.148 1.021) 1.124 9.709 ( 0.206 2.283 -11.367) 11.595 10.026 ( 0.006 3.304 18.974) 19.259 10.770 ( -1.327 -8.556 2.125) 8.916 11.233 ( 3.545 3.324 -3.034) 5.729 11.821 ( -0.898 5.508 -6.196) 8.339 14.002 ( -0.148 -1.768 29.837) 29.890 16.110 ( 0.026 -2.768 -4.809) 5.549 20.275 ( -0.311 -0.870 9.501) 9.546 21.917 ( 3.398 -10.954 -12.764) 17.159 22.860 ( -3.213 -0.904 2.752) 4.326 23.087 ( -1.311 -0.770 1.036) 1.840 23.281 ( 0.132 1.129 -0.957) 1.486 23.802 ( 1.732 12.453 -7.600) 14.692 ======================= Grid point 195 (69/150) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.000 12.103 20.955) 24.199 2.299 ( 0.000 26.711 3.728) 26.970 2.740 ( -0.000 -27.979 13.884) 31.235 3.088 ( -0.000 -14.264 -2.080) 14.415 3.615 ( -0.000 -8.900 -6.612) 11.087 4.316 ( -0.000 -10.835 10.933) 15.393 4.403 ( 0.000 3.868 -10.762) 11.436 4.578 ( 0.000 17.874 15.167) 23.441 5.282 ( -0.000 -7.259 -10.180) 12.503 5.554 ( 0.000 5.283 -12.122) 13.223 5.598 ( 0.000 16.801 -7.860) 18.549 5.796 ( 0.000 5.554 -16.010) 16.946 6.173 ( -0.000 -7.901 -3.938) 8.828 6.554 ( -0.000 -3.356 -1.115) 3.537 6.600 ( -0.000 -7.120 0.811) 7.166 6.738 ( -0.000 -2.316 5.359) 5.838 7.170 ( -0.000 -7.288 10.245) 12.573 7.230 ( 0.000 4.088 0.445) 4.112 7.390 ( 0.000 1.782 -0.360) 1.818 7.839 ( -0.000 -3.061 5.921) 6.665 8.194 ( -0.000 -5.293 6.862) 8.666 8.674 ( -0.000 -3.301 -3.665) 4.932 9.030 ( 0.000 2.211 1.580) 2.718 9.739 ( -0.000 -5.429 -11.939) 13.116 9.958 ( 0.000 3.947 18.344) 18.764 10.870 ( -0.000 -3.683 0.612) 3.733 11.216 ( 0.000 1.497 -3.994) 4.266 11.686 ( 0.000 8.488 -5.875) 10.322 14.040 ( -0.000 -2.789 30.051) 30.180 16.144 ( -0.000 -0.864 -5.370) 5.440 20.300 ( -0.000 -2.224 10.226) 10.465 22.115 ( -0.000 -8.013 -16.321) 18.181 22.853 ( -0.000 -0.776 2.777) 2.883 23.079 ( 0.000 0.484 0.937) 1.055 23.269 ( 0.000 0.390 -0.928) 1.007 23.592 ( 0.000 11.831 -5.857) 13.202 ======================= Grid point 200 (70/150) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 11.055 0.000 24.112) 26.525 2.042 ( 21.010 0.000 12.429) 24.411 3.031 ( -31.284 -0.000 17.962) 36.074 3.105 ( -3.281 -0.000 1.088) 3.457 4.123 ( 15.611 0.000 4.869) 16.353 4.471 ( 1.642 0.000 -16.094) 16.178 4.564 ( -7.163 -0.000 -1.427) 7.304 4.715 ( 11.168 0.000 -5.265) 12.347 5.112 ( 3.128 0.000 -13.500) 13.858 5.177 ( 8.203 0.000 -11.484) 14.113 5.629 ( -9.700 -0.000 -3.252) 10.231 5.764 ( 6.214 0.000 -15.810) 16.987 6.147 ( -15.137 -0.000 -0.875) 15.162 6.300 ( -3.355 -0.000 -7.340) 8.071 6.527 ( -5.712 -0.000 -2.515) 6.242 6.976 ( -1.459 -0.000 1.156) 1.862 7.269 ( -4.681 -0.000 -4.913) 6.786 7.289 ( 2.111 0.000 7.353) 7.650 7.419 ( 5.328 0.000 8.714) 10.214 7.471 ( -5.646 -0.000 6.655) 8.727 8.337 ( -1.556 -0.000 5.800) 6.005 8.879 ( -1.437 -0.000 -3.255) 3.558 9.301 ( -8.565 -0.000 15.380) 17.604 9.760 ( -2.196 -0.000 2.181) 3.095 10.014 ( 2.547 0.000 12.726) 12.978 10.237 ( -1.923 -0.000 5.206) 5.550 11.474 ( 10.881 0.000 -5.791) 12.326 11.881 ( 3.156 0.000 -9.103) 9.634 14.020 ( -7.482 -0.000 29.817) 30.741 15.799 ( 0.608 0.000 -2.052) 2.140 20.381 ( -6.421 -0.000 12.255) 13.835 21.149 ( 3.099 0.000 -2.792) 4.171 22.875 ( -2.141 -0.000 3.361) 3.985 23.016 ( -0.536 -0.000 1.830) 1.907 23.325 ( 3.715 0.000 -1.879) 4.163 24.366 ( 5.380 0.000 -17.373) 18.187 ======================= Grid point 201 (71/150) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 7.778 -0.940 20.769) 22.198 2.233 ( 14.452 3.150 6.629) 16.209 2.757 ( -20.181 -1.924 18.543) 27.474 3.019 ( -10.062 -0.422 3.996) 10.835 4.125 ( -2.339 14.443 7.459) 16.423 4.343 ( -0.170 13.491 -11.898) 17.989 4.499 ( 11.645 -0.461 -0.410) 11.661 4.848 ( 9.913 -1.708 -8.693) 13.295 5.216 ( -1.051 -6.479 -15.718) 17.033 5.378 ( 11.821 -8.437 -15.460) 21.212 5.605 ( -6.380 -6.506 -5.874) 10.841 5.841 ( 4.104 -1.654 -12.147) 12.928 5.991 ( -9.013 0.477 -1.095) 9.091 6.279 ( -4.294 -1.348 -5.041) 6.758 6.517 ( -2.359 -3.320 0.245) 4.080 6.904 ( -3.259 5.249 0.621) 6.209 7.151 ( -3.333 1.739 3.466) 5.113 7.305 ( 0.689 6.590 4.838) 8.204 7.409 ( -0.893 -3.777 2.674) 4.714 7.524 ( -2.238 -3.873 7.136) 8.422 8.263 ( -2.851 5.806 5.885) 8.744 8.850 ( -0.384 1.881 -4.157) 4.578 9.164 ( -4.295 5.765 12.823) 14.701 9.821 ( 0.076 -5.631 -0.724) 5.678 10.089 ( 0.549 -4.765 14.648) 15.413 10.208 ( -1.700 -0.589 6.487) 6.732 11.526 ( 8.614 5.522 -6.064) 11.893 11.903 ( 0.651 -0.428 -7.338) 7.379 13.958 ( -3.724 0.055 29.593) 29.827 15.851 ( 0.037 -4.736 -2.692) 5.448 20.315 ( -3.066 1.423 10.606) 11.132 21.258 ( 1.644 -8.491 -4.490) 9.745 22.857 ( -1.759 -0.160 4.327) 4.674 23.020 ( -0.444 -0.936 1.656) 1.953 23.351 ( 2.507 0.860 -1.934) 3.281 24.350 ( 3.129 6.183 -14.588) 16.150 ======================= Grid point 202 (72/150) ======================= q-point: ( 0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( -5.525 5.016 18.038) 19.521 2.314 ( 8.715 -3.846 9.379) 13.368 2.631 ( -8.406 4.046 4.952) 10.561 3.046 ( 0.278 -7.865 15.797) 17.649 3.808 ( -6.204 12.546 6.160) 15.292 4.053 ( 0.433 16.143 -8.990) 18.482 4.596 ( 4.851 2.722 -4.498) 7.153 4.977 ( 8.179 -1.500 -12.234) 14.792 5.247 ( -5.617 -0.367 -11.870) 13.137 5.582 ( 5.571 -5.214 -15.047) 16.871 5.743 ( -0.605 -9.227 -12.341) 15.421 5.922 ( 5.478 -2.246 -8.863) 10.658 6.004 ( 0.250 -7.775 2.417) 8.146 6.295 ( 0.911 -3.824 -1.578) 4.236 6.529 ( -9.309 -3.829 3.557) 10.676 6.744 ( -0.495 12.091 2.618) 12.381 7.151 ( 1.522 5.529 3.715) 6.833 7.173 ( 0.152 -1.128 5.225) 5.348 7.473 ( 0.439 -2.656 2.481) 3.661 7.539 ( -5.870 -3.390 5.950) 9.019 8.115 ( -2.455 5.895 5.698) 8.558 8.800 ( 0.162 3.915 -5.873) 7.060 9.059 ( -1.434 2.221 8.164) 8.581 9.870 ( 1.095 2.039 -6.779) 7.163 10.106 ( -0.607 1.030 17.780) 17.820 10.331 ( -0.953 -12.949 7.383) 14.937 11.461 ( 4.282 8.538 -5.387) 10.966 11.912 ( -0.024 -0.049 -6.272) 6.273 13.945 ( -1.123 -1.202 29.513) 29.558 15.948 ( -0.212 -5.836 -3.562) 6.841 20.275 ( -0.968 0.799 9.506) 9.588 21.462 ( 0.737 -12.624 -7.163) 14.533 22.844 ( -1.261 -0.150 4.739) 4.906 23.039 ( -0.300 -1.509 1.299) 2.014 23.343 ( 0.894 1.904 -1.690) 2.699 24.227 ( 1.752 10.168 -11.860) 15.720 ======================= Grid point 203 (73/150) ======================= q-point: ( 0.67 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -0.000 -5.821 22.431) 23.174 2.463 ( 0.000 7.800 8.975) 11.890 2.514 ( -0.000 -12.264 3.727) 12.818 3.090 ( 0.000 8.633 6.218) 10.639 3.599 ( 0.000 6.577 0.698) 6.614 3.896 ( -0.000 -0.748 2.502) 2.612 4.542 ( 0.000 3.969 -7.138) 8.167 5.050 ( -0.000 -2.365 -12.832) 13.048 5.151 ( 0.000 7.171 -1.514) 7.329 5.715 ( -0.000 -5.647 -16.617) 17.550 5.779 ( 0.000 2.836 -18.775) 18.988 5.987 ( -0.000 -1.635 -10.189) 10.320 6.248 ( -0.000 -13.633 7.615) 15.616 6.409 ( 0.000 18.928 0.475) 18.934 6.471 ( -0.000 -10.744 1.937) 10.918 6.505 ( 0.000 0.839 6.331) 6.386 7.044 ( 0.000 3.070 9.620) 10.098 7.264 ( -0.000 -3.246 2.182) 3.912 7.455 ( 0.000 3.234 3.441) 4.722 7.616 ( -0.000 -8.065 3.218) 8.683 8.053 ( -0.000 -0.614 5.482) 5.516 8.719 ( 0.000 4.727 -6.776) 8.262 9.046 ( -0.000 -0.815 3.466) 3.560 9.792 ( 0.000 5.844 -9.591) 11.231 10.077 ( 0.000 2.184 19.239) 19.363 10.567 ( -0.000 -13.079 4.816) 13.938 11.340 ( 0.000 6.798 -3.996) 7.885 11.892 ( 0.000 2.579 -6.171) 6.688 13.969 ( -0.000 -1.780 29.642) 29.695 16.042 ( -0.000 -4.742 -4.271) 6.381 20.265 ( -0.000 -0.062 9.176) 9.176 21.705 ( -0.000 -13.693 -10.289) 17.128 22.838 ( -0.000 -0.125 4.499) 4.501 23.063 ( -0.000 -1.356 0.970) 1.667 23.310 ( 0.000 2.021 -1.263) 2.384 24.035 ( 0.000 12.245 -9.663) 15.599 ======================= Grid point 211 (74/150) ======================= q-point: ( 0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 7.881 0.000 23.794) 25.065 2.478 ( 20.795 0.000 2.607) 20.958 2.506 ( -17.349 -0.000 24.421) 29.956 2.869 ( -16.546 -0.000 -0.593) 16.557 4.419 ( 8.475 0.000 10.280) 13.324 4.429 ( -2.508 -0.000 0.044) 2.509 4.482 ( -1.767 -0.000 -12.839) 12.961 4.926 ( 9.016 0.000 -5.980) 10.819 5.127 ( -2.520 -0.000 -12.078) 12.338 5.373 ( 7.004 0.000 -24.538) 25.518 5.520 ( -1.085 -0.000 -8.724) 8.791 5.882 ( 4.572 0.000 -12.594) 13.398 5.886 ( -8.355 -0.000 1.553) 8.498 6.222 ( -3.465 -0.000 -5.119) 6.182 6.491 ( 1.141 0.000 -3.016) 3.225 6.911 ( -3.072 -0.000 1.449) 3.397 7.091 ( -8.382 -0.000 1.698) 8.552 7.319 ( 0.949 0.000 12.005) 12.042 7.421 ( -0.449 -0.000 1.164) 1.248 7.503 ( 2.231 0.000 3.874) 4.470 8.306 ( -1.029 -0.000 6.103) 6.190 8.857 ( -0.570 -0.000 -3.906) 3.947 9.200 ( -2.055 -0.000 14.827) 14.969 9.722 ( -1.142 -0.000 0.208) 1.161 10.083 ( 3.432 0.000 15.950) 16.315 10.185 ( -2.778 -0.000 5.405) 6.077 11.656 ( 5.792 0.000 -7.171) 9.218 11.895 ( -0.938 -0.000 -6.290) 6.359 13.928 ( -2.017 -0.000 29.278) 29.348 15.808 ( 0.227 0.000 -2.341) 2.352 20.303 ( -1.715 -0.000 10.160) 10.304 21.197 ( 1.302 0.000 -4.349) 4.539 22.842 ( -0.897 -0.000 5.364) 5.438 23.008 ( -0.224 -0.000 1.664) 1.679 23.382 ( 1.549 0.000 -2.231) 2.716 24.426 ( 1.131 0.000 -14.268) 14.313 ======================= Grid point 212 (75/150) ======================= q-point: ( 0.56 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 0.000 7.165 21.333) 22.504 2.355 ( 0.000 2.821 19.893) 20.092 2.652 ( 0.000 2.032 -10.733) 10.924 2.835 ( -0.000 -11.950 19.325) 22.721 4.071 ( 0.000 19.710 10.122) 22.157 4.335 ( 0.000 13.720 -13.972) 19.582 4.659 ( -0.000 -3.134 -1.992) 3.714 5.000 ( -0.000 -2.155 -10.683) 10.898 5.158 ( -0.000 -4.464 -12.313) 13.097 5.510 ( -0.000 -11.577 -15.028) 18.970 5.538 ( -0.000 -2.539 -11.028) 11.317 5.884 ( -0.000 -4.221 -0.806) 4.297 5.926 ( -0.000 -1.784 -11.661) 11.797 6.228 ( -0.000 -3.015 -2.836) 4.139 6.481 ( 0.000 1.659 -0.570) 1.754 6.870 ( 0.000 3.274 2.317) 4.011 7.083 ( -0.000 -4.167 2.566) 4.893 7.312 ( 0.000 5.039 5.370) 7.364 7.393 ( -0.000 -1.118 6.356) 6.453 7.514 ( 0.000 0.072 3.583) 3.583 8.230 ( 0.000 6.987 6.116) 9.285 8.847 ( 0.000 1.233 -4.648) 4.809 9.121 ( 0.000 5.422 12.365) 13.502 9.820 ( -0.000 -7.956 -2.880) 8.462 10.107 ( -0.000 -0.083 18.881) 18.881 10.181 ( -0.000 -2.969 5.391) 6.154 11.626 ( 0.000 6.413 -7.072) 9.546 11.899 ( -0.000 -0.969 -5.716) 5.797 13.922 ( -0.000 -0.582 29.267) 29.273 15.851 ( -0.000 -4.383 -2.761) 5.180 20.285 ( 0.000 0.860 9.692) 9.731 21.277 ( -0.000 -7.926 -5.298) 9.533 22.837 ( 0.000 0.011 5.528) 5.528 23.015 ( -0.000 -0.902 1.517) 1.765 23.379 ( 0.000 1.257 -2.137) 2.479 24.379 ( 0.000 5.771 -13.247) 14.450 ======================= Grid point 255 (76/150) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 0.000 0.000 28.556) 28.556 2.105 ( 0.000 0.000 30.771) 30.771 2.852 ( 0.000 0.000 31.535) 31.535 3.496 ( 0.000 0.000 -11.569) 11.569 3.841 ( 0.000 0.000 -21.729) 21.729 4.052 ( 0.000 0.000 -24.908) 24.908 4.141 ( 0.000 0.000 -6.562) 6.562 4.695 ( 0.000 0.000 -22.672) 22.672 4.887 ( 0.000 0.000 -3.230) 3.230 5.543 ( 0.000 0.000 7.915) 7.915 5.885 ( 0.000 0.000 15.041) 15.041 5.969 ( 0.000 0.000 -6.403) 6.403 6.228 ( 0.000 0.000 2.275) 2.275 6.549 ( 0.000 0.000 -15.745) 15.745 6.907 ( 0.000 0.000 -7.303) 7.303 7.043 ( 0.000 0.000 -0.446) 0.446 7.164 ( 0.000 0.000 8.930) 8.930 7.293 ( 0.000 0.000 5.413) 5.413 7.321 ( 0.000 0.000 -1.381) 1.381 7.412 ( 0.000 0.000 7.425) 7.425 8.569 ( 0.000 0.000 9.116) 9.116 8.932 ( 0.000 0.000 -1.242) 1.242 10.108 ( 0.000 0.000 15.155) 15.155 10.136 ( 0.000 0.000 0.882) 0.882 10.230 ( 0.000 0.000 3.115) 3.115 10.332 ( 0.000 0.000 -4.263) 4.263 10.869 ( 0.000 0.000 -6.872) 6.872 11.084 ( 0.000 0.000 -7.652) 7.652 15.083 ( 0.000 0.000 10.244) 10.244 15.726 ( 0.000 0.000 -3.080) 3.080 21.057 ( 0.000 0.000 3.337) 3.337 21.553 ( 0.000 0.000 -6.844) 6.844 22.976 ( 0.000 0.000 -0.417) 0.417 23.006 ( 0.000 0.000 1.308) 1.308 23.008 ( 0.000 0.000 -1.094) 1.094 23.198 ( 0.000 0.000 -2.443) 2.443 ======================= Grid point 256 (77/150) ======================= q-point: ( 0.11 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 3.013 -5.873 27.073) 27.866 2.103 ( 2.870 0.353 29.008) 29.152 3.030 ( 5.500 -13.962 27.676) 31.483 3.424 ( 4.602 8.535 -11.882) 15.336 3.865 ( -2.060 -2.229 -17.338) 17.602 4.075 ( -5.739 -2.563 -15.889) 17.087 4.204 ( 6.685 -5.944 -16.420) 18.699 4.665 ( 1.141 1.212 -9.556) 9.700 4.977 ( -0.865 -8.109 -11.411) 14.026 5.277 ( -6.141 19.784 9.428) 22.760 5.726 ( -13.440 7.780 12.050) 19.656 6.032 ( 4.282 1.576 -4.700) 6.550 6.301 ( -2.038 -8.051 -0.580) 8.325 6.491 ( 3.277 8.100 -13.175) 15.809 6.823 ( -8.981 3.723 -3.351) 10.283 6.922 ( -1.186 7.210 -4.538) 8.601 7.135 ( 1.968 4.399 6.903) 8.418 7.273 ( -2.714 -4.617 4.495) 6.991 7.418 ( 7.886 -2.511 3.411) 8.951 7.598 ( 2.469 -11.732 3.733) 12.557 8.559 ( -0.508 0.978 8.883) 8.951 8.907 ( -1.088 2.324 -0.896) 2.718 9.822 ( -3.152 23.127 6.601) 24.256 10.028 ( -6.820 4.711 1.275) 8.387 10.183 ( 7.115 2.162 9.685) 12.211 10.565 ( -8.053 -15.691 -1.787) 17.727 10.908 ( 1.858 -2.310 -5.480) 6.231 11.182 ( 10.133 -4.314 -8.681) 14.023 14.952 ( -3.947 9.275 16.115) 19.008 15.804 ( -0.529 -6.858 -5.600) 8.870 20.916 ( -1.420 11.463 7.798) 13.936 21.593 ( -13.461 -10.278 -9.097) 19.225 22.964 ( 1.451 1.737 0.136) 2.268 23.040 ( 2.717 -1.676 0.469) 3.227 23.083 ( 4.576 -3.592 -2.340) 6.271 23.240 ( 7.694 -0.687 -3.790) 8.604 ======================= Grid point 257 (78/150) ======================= q-point: ( 0.22 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 1.419 -5.315 24.414) 25.026 2.241 ( 8.909 -8.847 24.442) 27.478 3.228 ( 1.195 1.035 -0.076) 1.583 3.370 ( 3.617 3.659 1.066) 5.254 3.872 ( -3.338 -2.055 -9.235) 10.032 4.104 ( 0.587 -7.424 0.018) 7.447 4.387 ( 8.620 -0.731 -16.242) 18.402 4.711 ( -1.073 -4.354 3.894) 5.939 4.874 ( -7.258 9.936 4.215) 13.007 5.109 ( -1.129 -6.721 -13.910) 15.490 5.457 ( -9.021 6.781 4.826) 12.273 5.949 ( 3.641 10.690 -6.342) 12.952 6.297 ( -6.278 10.979 -5.898) 13.955 6.383 ( -6.368 -2.101 -6.604) 9.412 6.664 ( -1.328 3.989 -1.888) 4.608 6.907 ( -1.853 -5.266 -3.698) 6.696 7.069 ( 2.342 4.788 3.958) 6.639 7.336 ( 0.882 -2.842 5.372) 6.141 7.532 ( 5.094 -2.529 2.233) 6.110 7.798 ( 0.905 -8.123 3.609) 8.935 8.513 ( -1.818 3.182 8.228) 9.007 8.821 ( -2.709 5.160 -0.530) 5.852 9.416 ( -1.880 18.025 7.586) 19.647 9.837 ( -3.769 9.967 -6.069) 12.263 10.237 ( 5.116 -1.099 14.738) 15.639 10.723 ( -8.030 -12.326 -1.193) 14.759 10.959 ( 2.027 -0.859 -3.293) 3.961 11.387 ( 10.614 -5.317 -9.723) 15.345 14.763 ( -3.616 6.449 23.363) 24.505 15.907 ( -1.272 -5.341 -7.461) 9.264 20.713 ( -2.371 8.187 11.533) 14.341 21.615 ( -13.324 -7.815 -11.008) 18.968 22.953 ( 0.563 0.730 0.649) 1.127 23.103 ( 0.798 -3.182 -0.170) 3.285 23.170 ( 3.210 -1.695 -1.823) 4.062 23.364 ( 13.074 0.242 -6.841) 14.758 ======================= Grid point 258 (79/150) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 3.100 -10.545 17.394) 20.576 2.520 ( 7.921 -11.318 20.551) 24.762 3.139 ( -3.599 10.173 -0.196) 10.792 3.245 ( 4.455 6.977 -1.577) 8.427 3.774 ( -13.454 3.622 0.074) 13.933 4.090 ( 1.556 19.447 5.692) 20.322 4.517 ( 7.565 -15.087 10.024) 19.630 4.801 ( -2.349 -10.609 -15.216) 18.698 4.953 ( 4.366 -9.742 0.256) 10.678 5.176 ( -4.600 -5.440 -5.397) 8.937 5.353 ( 1.835 1.760 -10.256) 10.566 5.768 ( 3.040 12.552 -8.662) 15.551 6.013 ( -8.765 10.390 -5.601) 14.702 6.279 ( -5.544 5.703 -5.578) 9.715 6.649 ( -2.453 -2.515 3.872) 5.228 6.949 ( -0.574 -0.535 0.856) 1.161 7.095 ( 3.612 -4.445 -2.201) 6.136 7.374 ( -0.196 0.019 2.987) 2.993 7.616 ( 3.312 -2.335 5.260) 6.640 7.891 ( -0.331 -1.982 3.952) 4.433 8.415 ( -2.728 4.313 7.245) 8.862 8.682 ( -3.623 6.273 -1.094) 7.326 9.173 ( 0.486 8.374 4.263) 9.410 9.620 ( -1.744 10.582 -9.896) 14.593 10.318 ( 3.673 -2.531 17.002) 17.578 10.848 ( -5.807 -9.505 -0.728) 11.163 10.978 ( 2.093 0.986 -1.763) 2.909 11.558 ( 6.911 -3.458 -9.919) 12.574 14.659 ( -1.938 2.378 26.922) 27.097 15.967 ( -1.097 -2.907 -7.731) 8.332 20.585 ( -1.635 4.010 12.279) 13.020 21.609 ( -8.634 -4.395 -12.120) 15.516 22.949 ( 0.293 0.201 0.811) 0.885 23.162 ( -1.141 -3.392 -1.123) 3.751 23.221 ( 3.318 -0.406 -0.710) 3.417 23.463 ( 9.252 1.558 -6.996) 11.703 ======================= Grid point 259 (80/150) ======================= q-point: ( 0.44 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 2.618 -11.421 9.231) 14.916 2.751 ( 3.068 -6.132 18.972) 20.173 2.860 ( -4.307 11.478 4.973) 13.230 3.286 ( 14.404 1.766 2.601) 14.743 3.525 ( -18.951 2.819 9.268) 21.283 3.798 ( 0.982 10.852 5.560) 12.233 4.781 ( 3.116 -5.686 -0.957) 6.554 4.963 ( -3.519 -10.163 -13.112) 16.958 5.084 ( 5.775 3.926 -7.744) 10.428 5.270 ( 1.127 -5.369 -3.567) 6.544 5.425 ( -1.903 -9.457 -8.426) 12.809 5.580 ( 0.278 10.306 -9.151) 13.785 5.852 ( 4.426 1.042 -4.546) 6.429 6.056 ( -9.145 10.393 -0.649) 13.859 6.677 ( -1.245 -2.029 4.904) 5.452 7.011 ( 2.150 -5.028 0.288) 5.476 7.189 ( 4.131 0.272 -2.722) 4.955 7.309 ( -5.514 2.205 3.337) 6.812 7.691 ( 2.651 -2.189 9.178) 9.801 7.879 ( -0.978 1.456 2.873) 3.366 8.346 ( -0.646 1.046 6.550) 6.664 8.554 ( -2.220 3.540 -2.752) 5.004 9.107 ( 0.656 1.053 1.044) 1.621 9.456 ( -0.602 5.393 -12.166) 13.321 10.383 ( 1.464 -1.300 18.337) 18.441 10.933 ( -4.051 -5.605 -0.641) 6.945 10.970 ( 2.745 2.646 -1.087) 3.964 11.646 ( 2.365 -1.128 -9.869) 10.211 14.624 ( -0.554 0.438 28.152) 28.161 15.992 ( -0.412 -0.899 -7.613) 7.677 20.530 ( -0.550 1.154 12.169) 12.236 21.601 ( -2.939 -1.414 -12.704) 13.116 22.950 ( 0.101 0.013 0.804) 0.811 23.195 ( -0.866 -1.448 -2.019) 2.632 23.251 ( 1.561 -0.032 0.157) 1.570 23.503 ( 3.221 0.888 -6.213) 7.054 ======================= Grid point 265 (81/150) ======================= q-point: ( 0.11 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 6.769 0.000 25.569) 26.449 2.141 ( 3.520 0.000 28.915) 29.129 2.995 ( 12.587 0.000 27.470) 30.217 3.605 ( 9.589 0.000 -10.311) 14.080 3.805 ( -2.165 -0.000 -16.605) 16.745 3.984 ( -5.355 -0.000 -21.940) 22.584 4.200 ( 5.692 0.000 -6.937) 8.973 4.731 ( 1.320 0.000 -21.200) 21.241 4.855 ( -2.364 -0.000 -3.596) 4.304 5.341 ( -17.066 -0.000 7.207) 18.525 5.738 ( -9.348 -0.000 13.613) 16.514 5.932 ( -4.284 -0.000 -6.363) 7.671 6.252 ( -1.022 -0.000 -4.138) 4.262 6.646 ( 8.671 0.000 -11.428) 14.345 6.711 ( -14.889 -0.000 -4.650) 15.599 6.953 ( -10.393 -0.000 -4.018) 11.143 7.195 ( 0.352 0.000 2.339) 2.366 7.234 ( 5.132 0.000 8.336) 9.789 7.456 ( 4.119 0.000 8.094) 9.082 7.547 ( 10.003 0.000 2.708) 10.363 8.557 ( -1.343 -0.000 8.457) 8.563 8.914 ( -1.657 -0.000 -1.501) 2.236 9.982 ( -6.580 -0.000 3.909) 7.653 10.106 ( -17.178 -0.000 -0.044) 17.178 10.185 ( 0.278 0.000 8.689) 8.694 10.300 ( 5.839 0.000 7.437) 9.455 10.932 ( 6.210 0.000 -7.194) 9.504 11.267 ( 13.273 0.000 -10.005) 16.622 14.978 ( -9.183 -0.000 14.667) 17.305 15.728 ( 0.227 0.000 -3.233) 3.241 21.060 ( 0.310 0.000 2.241) 2.262 21.257 ( -21.693 -0.000 2.791) 21.872 22.974 ( -1.273 -0.000 0.610) 1.412 23.044 ( 1.619 0.000 1.000) 1.903 23.121 ( 5.482 0.000 -2.531) 6.038 23.378 ( 18.990 0.000 -9.933) 21.431 ======================= Grid point 266 (82/150) ======================= q-point: ( 0.22 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 6.121 -1.676 24.129) 24.950 2.209 ( 6.612 -3.484 25.173) 26.259 3.200 ( 7.374 -6.102 13.511) 16.557 3.571 ( 8.121 10.121 -8.013) 15.252 3.810 ( -1.856 -0.658 -5.659) 5.992 4.013 ( 1.936 -5.485 -9.782) 11.380 4.360 ( 8.665 -8.355 -14.395) 18.764 4.658 ( -3.871 1.284 -6.150) 7.379 4.929 ( -6.736 -4.137 -6.988) 10.551 5.069 ( -8.157 9.959 2.327) 13.082 5.485 ( -7.518 8.692 5.143) 12.590 6.004 ( -7.221 -4.707 -8.297) 11.964 6.217 ( -5.659 -0.711 -4.190) 7.077 6.492 ( -8.519 8.300 -5.515) 13.110 6.716 ( 3.492 0.428 -6.439) 7.338 6.830 ( -5.710 1.602 -2.152) 6.309 7.151 ( 0.765 3.045 4.000) 5.085 7.314 ( 2.876 -1.665 3.537) 4.853 7.518 ( 2.614 -1.916 7.026) 7.738 7.696 ( 5.151 -6.254 3.848) 8.969 8.529 ( -2.591 1.289 7.808) 8.327 8.866 ( -2.729 3.064 -1.589) 4.400 9.697 ( -8.500 17.480 6.801) 20.593 9.901 ( -5.386 3.077 -0.582) 6.230 10.318 ( 5.164 1.311 11.392) 12.576 10.393 ( -5.591 -13.246 4.308) 15.009 11.006 ( 7.366 0.380 -6.278) 9.686 11.429 ( 11.808 -2.949 -10.790) 16.265 14.817 ( -8.184 5.426 20.899) 23.091 15.790 ( -0.660 -5.620 -4.915) 7.495 20.838 ( -6.884 10.589 9.178) 15.612 21.288 ( -11.386 -12.708 -2.588) 17.258 22.961 ( -0.576 0.308 1.286) 1.442 23.068 ( 0.831 -1.165 1.236) 1.891 23.179 ( 3.632 -1.331 -1.808) 4.269 23.562 ( 18.394 2.226 -13.321) 22.820 ======================= Grid point 267 (83/150) ======================= q-point: ( 0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 6.323 -3.970 20.666) 21.973 2.391 ( 4.736 -8.883 20.209) 22.578 3.236 ( -2.301 3.501 0.420) 4.210 3.449 ( 3.883 9.372 -5.225) 11.411 3.740 ( -7.376 7.037 3.736) 10.858 4.227 ( 8.667 -8.891 6.179) 13.869 4.549 ( -0.539 3.049 -1.504) 3.442 4.623 ( -2.930 2.111 -4.463) 5.741 4.747 ( 0.344 -10.007 -3.541) 10.621 5.077 ( -1.611 -4.481 -12.033) 12.941 5.392 ( 2.477 0.133 -6.752) 7.193 5.903 ( -7.695 5.173 -11.868) 15.061 6.102 ( -8.587 5.952 -3.050) 10.884 6.335 ( -1.476 2.407 -4.989) 5.732 6.665 ( 1.881 7.320 -1.567) 7.719 6.859 ( -2.289 -7.546 -0.137) 7.886 7.111 ( 1.991 2.244 3.314) 4.470 7.355 ( -0.241 -1.233 2.891) 3.152 7.565 ( -1.014 -2.851 5.793) 6.536 7.833 ( 0.959 -4.986 4.040) 6.489 8.446 ( -4.755 3.770 7.224) 9.434 8.754 ( -3.341 5.708 -2.165) 6.959 9.360 ( -3.593 12.974 6.897) 15.127 9.765 ( -2.911 7.356 -6.093) 9.985 10.348 ( 5.214 0.605 15.078) 15.966 10.575 ( -5.374 -13.078 3.277) 14.513 11.054 ( 6.570 2.264 -4.473) 8.264 11.584 ( 8.058 -2.517 -10.661) 13.599 14.674 ( -4.534 2.859 25.878) 26.428 15.880 ( -1.171 -5.216 -6.434) 8.365 20.638 ( -4.724 5.331 11.528) 13.551 21.392 ( -7.377 -9.712 -7.280) 14.204 22.952 ( -0.161 0.208 1.759) 1.779 23.101 ( -0.257 -2.121 1.022) 2.369 23.235 ( 2.626 -1.047 -1.158) 3.055 23.656 ( 13.172 5.316 -12.335) 18.812 ======================= Grid point 268 (84/150) ======================= q-point: ( 0.44 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 5.819 -8.521 13.842) 17.264 2.583 ( -1.182 -10.668 17.526) 20.552 3.062 ( -2.912 11.861 3.468) 12.696 3.355 ( -10.459 4.196 4.817) 12.255 3.528 ( 6.865 6.190 4.753) 10.394 4.048 ( -6.651 17.537 8.450) 20.572 4.647 ( -0.234 -13.297 2.203) 13.480 4.787 ( 3.769 -6.105 -12.349) 14.282 4.974 ( -3.024 -13.392 -4.159) 14.346 5.139 ( 2.634 -3.105 -14.751) 15.302 5.443 ( 5.911 0.870 -11.412) 12.881 5.728 ( -4.688 5.393 -11.316) 13.383 5.952 ( 3.280 4.808 -0.988) 5.904 6.265 ( 3.342 11.113 -3.353) 12.079 6.578 ( -3.433 -1.195 5.339) 6.459 6.961 ( 0.753 -4.835 -2.077) 5.316 7.159 ( 2.058 -4.710 2.944) 5.924 7.323 ( -3.208 3.082 3.195) 5.477 7.614 ( -2.743 -4.530 7.306) 9.023 7.877 ( -2.614 -0.760 3.721) 4.611 8.331 ( -5.397 1.781 6.536) 8.662 8.617 ( -2.065 5.748 -3.618) 7.099 9.169 ( -0.987 6.014 3.687) 7.123 9.592 ( -0.905 9.265 -9.947) 13.623 10.395 ( 3.549 -0.225 17.607) 17.962 10.738 ( -4.083 -10.404 2.268) 11.404 11.066 ( 5.614 3.071 -3.243) 7.174 11.672 ( 4.011 -0.197 -10.231) 10.991 14.618 ( -1.842 0.226 27.946) 28.008 15.947 ( -0.787 -3.433 -7.062) 7.892 20.540 ( -2.569 1.805 11.821) 12.231 21.488 ( -3.101 -7.289 -10.625) 13.253 22.949 ( -0.102 0.068 1.938) 1.942 23.135 ( -1.240 -2.544 0.671) 2.909 23.264 ( 1.042 -0.013 -0.763) 1.292 23.651 ( 8.046 7.101 -9.956) 14.639 ======================= Grid point 269 (85/150) ======================= q-point: ( 0.56 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 2.563 -6.864 9.449) 11.957 2.736 ( -2.962 -3.762 11.590) 12.540 2.850 ( 2.572 5.515 11.660) 13.152 3.082 ( -18.376 2.501 11.013) 21.569 3.673 ( 12.474 -1.269 0.675) 12.556 3.749 ( 0.320 6.515 9.659) 11.655 4.797 ( -10.358 -6.789 1.907) 12.530 4.861 ( 0.652 -2.474 -12.660) 12.916 5.098 ( -5.420 -8.956 -8.181) 13.286 5.199 ( 0.856 3.969 -12.557) 13.197 5.439 ( 1.027 1.455 -17.157) 17.250 5.698 ( 5.017 -1.027 -10.022) 11.255 5.969 ( 4.455 17.788 3.919) 18.751 6.075 ( 14.654 -1.670 2.307) 14.929 6.622 ( -3.749 -5.326 4.599) 7.973 7.065 ( -0.734 -4.265 -3.059) 5.300 7.143 ( -3.151 5.155 4.006) 7.249 7.319 ( 4.097 -2.889 2.327) 5.527 7.625 ( -7.964 -1.804 9.537) 12.555 7.856 ( -1.690 -1.591 2.329) 3.287 8.295 ( -3.677 -2.457 6.069) 7.510 8.544 ( 0.804 0.747 -3.644) 3.806 9.104 ( -0.797 1.320 1.090) 1.888 9.454 ( 0.385 4.568 -12.113) 12.951 10.407 ( 0.868 1.679 18.703) 18.798 10.852 ( -2.818 -6.275 1.327) 7.005 11.067 ( 5.331 3.095 -2.827) 6.782 11.671 ( 0.091 2.651 -9.837) 10.188 14.614 ( -0.399 -0.788 28.407) 28.421 15.987 ( -0.104 -1.621 -7.438) 7.613 20.512 ( -1.085 -0.518 11.931) 11.991 21.590 ( 1.456 -5.117 -13.122) 14.160 22.946 ( -0.360 0.036 1.957) 1.990 23.161 ( -2.418 -2.231 0.441) 3.319 23.258 ( -0.191 1.027 -0.837) 1.338 23.579 ( 3.459 7.418 -7.898) 11.374 ======================= Grid point 270 (86/150) ======================= q-point: (-0.33 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -0.803 13.223 11.741) 17.702 2.603 ( -9.914 9.290 16.554) 21.415 2.979 ( 6.167 -12.666 4.445) 14.772 3.087 ( -3.710 -9.047 10.535) 14.373 3.664 ( -7.115 -9.835 1.101) 12.188 3.948 ( 17.225 -3.196 1.466) 17.581 4.703 ( -7.541 6.414 2.625) 10.242 4.888 ( -4.225 -2.105 -0.603) 4.759 5.018 ( -3.187 10.249 -8.355) 13.602 5.253 ( 2.905 -7.696 -11.052) 13.777 5.406 ( -2.042 5.971 -12.940) 14.397 5.579 ( -3.480 6.629 -7.401) 10.528 5.966 ( 11.749 -6.494 -4.038) 14.018 6.303 ( 14.102 -2.685 -0.940) 14.386 6.660 ( -2.734 -2.785 4.195) 5.730 6.972 ( -3.346 3.408 4.759) 6.742 7.140 ( 0.639 1.998 -5.193) 5.600 7.368 ( -0.190 -0.153 2.000) 2.014 7.555 ( -8.867 -1.184 8.353) 12.239 7.901 ( 1.302 -2.508 2.436) 3.731 8.341 ( -0.336 -5.235 6.637) 8.460 8.607 ( 2.126 -5.216 -1.301) 5.781 9.083 ( -1.343 -0.848 1.479) 2.170 9.476 ( 1.106 -5.943 -12.002) 13.439 10.353 ( -1.284 3.904 18.415) 18.868 10.902 ( -1.808 -2.064 0.536) 2.796 11.062 ( 5.770 3.955 -3.161) 7.677 11.581 ( -3.591 5.367 -9.464) 11.458 14.635 ( 0.412 -1.622 27.884) 27.934 16.002 ( 0.452 0.191 -7.905) 7.920 20.534 ( -0.079 -2.621 12.267) 12.545 21.697 ( 5.430 -2.853 -15.167) 16.360 22.939 ( -0.899 -0.011 1.993) 2.186 23.155 ( -4.425 -0.756 0.702) 4.543 23.235 ( 0.736 1.491 -1.590) 2.301 23.464 ( -0.833 6.876 -6.424) 9.447 ======================= Grid point 271 (87/150) ======================= q-point: (-0.22 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 1.155 10.833 20.125) 22.884 2.326 ( -8.191 10.357 21.660) 25.368 3.158 ( 0.241 -4.254 -0.926) 4.360 3.279 ( 3.095 -9.615 1.639) 10.233 3.843 ( -3.136 -10.790 -9.560) 14.753 4.155 ( 6.384 -7.027 1.407) 9.598 4.397 ( -4.403 17.864 7.261) 19.779 4.825 ( -0.237 5.605 5.558) 7.897 4.877 ( -1.572 3.481 -8.214) 9.058 5.238 ( 0.702 7.332 -12.176) 14.231 5.406 ( 6.443 -5.814 -2.971) 9.173 5.633 ( -7.916 -14.582 -6.468) 17.809 6.197 ( 5.573 -7.527 -5.908) 11.074 6.466 ( 11.524 -3.006 -5.894) 13.288 6.649 ( -2.933 1.306 -0.088) 3.212 6.951 ( -3.099 -3.628 6.126) 7.764 7.039 ( 0.132 7.894 -5.467) 9.603 7.367 ( 1.547 0.222 3.587) 3.913 7.486 ( -7.638 -0.337 4.915) 9.089 7.917 ( 1.381 3.528 1.842) 4.213 8.449 ( 0.807 -5.511 8.049) 9.788 8.737 ( 1.461 -6.584 -0.054) 6.745 9.161 ( -0.460 -10.121 5.394) 11.478 9.654 ( 1.163 -11.834 -10.250) 15.699 10.258 ( -1.757 4.499 17.412) 18.069 10.890 ( -0.452 2.083 -0.832) 2.288 11.041 ( 5.438 5.024 -3.888) 8.362 11.414 ( -5.818 7.632 -8.927) 13.107 14.689 ( 0.841 -4.062 26.121) 26.448 15.986 ( 0.565 2.385 -8.376) 8.727 20.606 ( 0.422 -5.382 12.490) 13.607 21.790 ( 6.641 -0.077 -16.998) 18.250 22.929 ( -1.553 -0.256 2.052) 2.586 23.104 ( -3.976 1.098 0.872) 4.216 23.220 ( 2.278 2.165 -2.185) 3.827 23.322 ( -4.269 5.926 -4.866) 8.776 ======================= Grid point 272 (88/150) ======================= q-point: (-0.11 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 0.000 10.391 25.662) 27.686 2.097 ( 0.000 3.081 26.445) 26.624 3.256 ( -0.000 -6.961 -9.354) 11.660 3.280 ( 0.000 11.512 17.413) 20.874 3.906 ( 0.000 0.447 -17.629) 17.635 4.135 ( 0.000 4.631 -3.389) 5.738 4.272 ( 0.000 2.441 -16.426) 16.607 4.715 ( 0.000 6.566 2.110) 6.897 4.949 ( -0.000 -15.589 5.690) 16.595 5.122 ( 0.000 7.321 -14.493) 16.237 5.627 ( -0.000 -12.108 11.756) 16.876 5.841 ( -0.000 -12.737 -5.408) 13.838 6.344 ( -0.000 -6.981 -11.151) 13.156 6.496 ( 0.000 9.379 -2.387) 9.678 6.704 ( -0.000 -10.955 -4.561) 11.867 6.903 ( 0.000 3.731 -5.030) 6.263 7.033 ( -0.000 -4.907 6.928) 8.490 7.381 ( 0.000 1.495 2.968) 3.323 7.406 ( 0.000 3.312 4.465) 5.560 7.797 ( 0.000 10.165 1.717) 10.309 8.529 ( -0.000 -2.881 8.836) 9.294 8.850 ( -0.000 -4.878 -0.086) 4.879 9.436 ( -0.000 -20.161 8.138) 21.741 9.887 ( -0.000 -12.693 -7.680) 14.836 10.173 ( 0.000 3.599 16.368) 16.759 10.813 ( 0.000 7.322 -2.878) 7.868 10.979 ( 0.000 5.393 -4.378) 6.946 11.231 ( 0.000 7.557 -8.181) 11.137 14.803 ( -0.000 -8.167 22.134) 23.592 15.922 ( 0.000 5.274 -8.092) 9.659 20.736 ( -0.000 -9.023 11.504) 14.620 21.798 ( 0.000 4.532 -16.909) 17.506 22.925 ( -0.000 -0.739 1.602) 1.764 23.054 ( 0.000 1.877 1.096) 2.174 23.164 ( 0.000 6.570 -3.523) 7.455 23.221 ( 0.000 0.961 -1.990) 2.210 ======================= Grid point 275 (89/150) ======================= q-point: ( 0.22 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 9.192 0.000 21.416) 23.305 2.248 ( 6.886 0.000 24.898) 25.833 3.207 ( 3.303 0.000 7.478) 8.175 3.706 ( -6.348 -0.000 0.149) 6.350 3.883 ( 13.371 0.000 2.922) 13.687 3.987 ( 10.382 0.000 -18.335) 21.070 4.371 ( 10.845 0.000 -6.114) 12.450 4.597 ( -15.174 -0.000 -10.308) 18.344 4.822 ( -0.590 -0.000 -6.813) 6.838 5.079 ( -5.662 -0.000 -3.810) 6.825 5.572 ( -5.822 -0.000 6.106) 8.437 5.768 ( -11.899 -0.000 -7.413) 14.019 6.196 ( -3.376 -0.000 -8.547) 9.190 6.386 ( -15.537 -0.000 -5.450) 16.466 6.735 ( -9.962 -0.000 1.921) 10.146 6.842 ( 9.271 0.000 -6.779) 11.485 7.200 ( -0.413 -0.000 -2.265) 2.302 7.305 ( 1.420 0.000 3.280) 3.574 7.560 ( 5.116 0.000 10.477) 11.659 7.672 ( 1.526 0.000 4.731) 4.971 8.513 ( -2.706 -0.000 7.124) 7.621 8.868 ( -2.658 -0.000 -2.241) 3.476 9.764 ( -14.730 -0.000 5.203) 15.622 9.858 ( -5.588 -0.000 0.001) 5.588 10.195 ( 1.313 0.000 9.911) 9.997 10.410 ( 4.423 0.000 12.481) 13.242 11.106 ( 10.137 0.000 -8.375) 13.149 11.520 ( 10.478 0.000 -11.325) 15.428 14.769 ( -9.895 -0.000 22.099) 24.213 15.734 ( 0.332 0.000 -3.581) 3.597 20.858 ( -15.870 -0.000 9.409) 18.450 21.070 ( 0.642 0.000 -0.470) 0.795 22.958 ( -0.219 -0.000 2.480) 2.490 23.068 ( 0.638 0.000 2.593) 2.671 23.205 ( 3.824 0.000 -2.213) 4.418 23.767 ( 16.084 0.000 -16.786) 23.248 ======================= Grid point 276 (90/150) ======================= q-point: ( 0.33 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 9.522 0.547 19.407) 21.624 2.343 ( 6.171 -2.416 20.550) 21.592 3.220 ( -3.648 -1.166 1.532) 4.124 3.543 ( -11.798 5.414 8.179) 15.343 3.945 ( 11.561 11.200 -5.072) 16.877 4.181 ( 12.249 -6.976 4.641) 14.841 4.423 ( -6.599 -1.836 -10.008) 12.128 4.593 ( 4.258 -6.388 -4.514) 8.906 4.814 ( 0.435 4.341 -7.306) 8.510 5.003 ( -1.666 -0.368 -8.993) 9.154 5.436 ( 1.818 3.022 -6.629) 7.509 5.773 ( -13.455 -6.903 -8.490) 17.343 6.095 ( -5.828 4.092 -5.290) 8.871 6.289 ( -8.602 -2.312 -6.153) 10.826 6.684 ( -5.652 -5.449 4.657) 9.128 6.866 ( 5.312 6.679 -4.311) 9.561 7.162 ( 0.427 1.977 -0.055) 2.023 7.341 ( 0.345 -1.241 -0.267) 1.316 7.551 ( 0.236 2.550 10.070) 10.390 7.735 ( -1.738 -5.393 4.918) 7.502 8.460 ( -3.751 2.859 6.631) 8.137 8.808 ( -2.616 3.548 -2.802) 5.224 9.514 ( -8.406 10.400 7.724) 15.443 9.808 ( -3.740 1.205 -3.243) 5.095 10.312 ( -0.533 -9.519 8.841) 13.003 10.434 ( 3.832 1.132 14.725) 15.258 11.186 ( 9.554 2.749 -7.988) 12.753 11.628 ( 7.289 -1.467 -11.053) 13.321 14.659 ( -6.630 1.679 25.609) 26.507 15.781 ( -0.234 -4.364 -4.598) 6.344 20.664 ( -8.384 4.577 10.617) 14.281 21.167 ( -2.071 -8.519 -3.633) 9.490 22.957 ( 0.270 0.232 3.574) 3.591 23.077 ( -0.011 -0.671 2.840) 2.918 23.249 ( 3.235 -0.526 -2.013) 3.846 23.873 ( 11.474 3.973 -16.227) 20.267 ======================= Grid point 277 (91/150) ======================= q-point: ( 0.44 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 7.295 -1.842 15.296) 17.046 2.436 ( 1.293 -4.059 17.092) 17.615 3.151 ( -8.034 4.367 7.926) 12.102 3.341 ( -8.095 4.165 11.566) 14.719 3.784 ( 8.688 12.259 -2.138) 15.177 4.237 ( -10.505 13.482 6.145) 18.162 4.427 ( 0.923 -8.751 -1.220) 8.883 4.675 ( 0.375 -6.608 -4.941) 8.259 4.893 ( 8.650 -3.392 -15.915) 18.429 5.088 ( 4.495 -5.363 -15.542) 17.045 5.491 ( 4.937 -2.017 -11.835) 12.981 5.698 ( -9.471 0.134 -11.930) 15.233 6.031 ( 1.802 -0.458 0.533) 1.934 6.281 ( -2.930 -4.187 -3.671) 6.292 6.728 ( 2.174 9.704 2.165) 10.178 6.801 ( -3.289 -8.100 2.180) 9.010 7.149 ( 2.000 0.614 2.477) 3.242 7.334 ( -0.991 1.535 2.389) 3.007 7.530 ( -2.045 -1.612 6.764) 7.248 7.787 ( -5.575 -4.131 3.999) 8.009 8.331 ( -5.823 5.160 6.482) 10.126 8.703 ( -1.414 5.529 -4.142) 7.052 9.278 ( -4.044 8.463 6.784) 11.576 9.722 ( -1.400 5.795 -7.348) 9.462 10.436 ( 3.210 -0.614 16.037) 16.366 10.512 ( -1.131 -10.043 8.105) 12.955 11.203 ( 7.307 4.765 -6.678) 10.986 11.706 ( 3.856 -0.663 -10.410) 11.121 14.595 ( -3.031 -0.033 27.880) 28.045 15.862 ( -0.563 -4.909 -5.836) 7.647 20.542 ( -4.121 2.209 11.066) 12.013 21.307 ( -1.649 -9.370 -7.776) 12.288 22.955 ( 0.483 0.416 4.355) 4.401 23.092 ( -0.681 -1.358 2.522) 2.944 23.279 ( 1.725 0.231 -1.651) 2.399 23.866 ( 7.310 7.294 -13.809) 17.243 ======================= Grid point 278 (92/150) ======================= q-point: ( 0.56 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( 1.065 -7.270 15.872) 17.490 2.556 ( 1.810 -8.032 12.276) 14.782 2.920 ( -12.775 6.592 15.209) 20.928 3.167 ( -0.008 12.908 5.418) 13.999 3.785 ( 5.024 4.470 5.248) 8.530 3.899 ( 0.968 7.431 8.411) 11.265 4.531 ( -10.203 -6.403 -3.627) 12.580 4.758 ( -3.710 -6.558 -12.179) 14.322 5.011 ( 4.060 -2.077 -11.504) 12.375 5.228 ( 5.314 -2.967 -18.895) 19.852 5.490 ( -3.720 2.915 -15.713) 16.409 5.679 ( 1.753 -2.493 -13.096) 13.446 6.171 ( 16.867 -4.099 5.880) 18.327 6.339 ( 3.145 2.879 -0.115) 4.265 6.534 ( -1.211 8.238 7.011) 10.885 6.893 ( -9.165 -7.717 0.420) 11.988 7.191 ( 2.448 -0.673 5.668) 6.211 7.309 ( 1.314 -0.901 4.656) 4.921 7.535 ( -3.674 -0.622 5.170) 6.373 7.772 ( -6.771 -2.884 2.836) 7.887 8.219 ( -4.650 0.076 5.847) 7.472 8.597 ( -0.244 4.754 -5.108) 6.983 9.139 ( -1.575 4.004 3.591) 5.604 9.582 ( -0.166 8.273 -10.288) 13.203 10.454 ( 2.074 1.536 18.821) 18.997 10.684 ( -1.396 -9.850 4.640) 10.977 11.181 ( 4.854 4.301 -5.298) 8.374 11.722 ( 1.142 1.876 -9.925) 10.165 14.589 ( -0.984 -1.245 28.658) 28.702 15.936 ( -0.310 -3.748 -6.698) 7.682 20.493 ( -1.818 0.143 11.279) 11.426 21.465 ( 0.165 -9.150 -11.593) 14.770 22.950 ( 0.275 0.577 4.813) 4.855 23.108 ( -1.363 -1.489 2.024) 2.858 23.276 ( 0.364 1.092 -1.436) 1.841 23.774 ( 3.936 9.222 -11.331) 15.131 ======================= Grid point 279 (93/150) ======================= q-point: (-0.33 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( -0.274 -0.021 14.239) 14.241 2.693 ( -0.234 -0.879 6.071) 6.139 2.778 ( -7.356 -8.741 18.063) 21.373 2.947 ( 2.654 5.775 9.366) 11.319 3.582 ( -5.073 6.258 6.466) 10.330 4.092 ( 18.764 -3.067 0.141) 19.013 4.479 ( -17.829 -7.284 3.162) 19.518 4.872 ( -0.051 -7.301 -14.661) 16.379 5.034 ( -1.258 2.174 -1.133) 2.755 5.275 ( 5.267 2.719 -19.214) 20.107 5.398 ( -4.414 1.338 -19.881) 20.409 5.732 ( 0.246 2.099 -13.001) 13.171 6.128 ( 7.036 15.533 6.988) 18.428 6.445 ( 18.110 -1.858 4.241) 18.693 6.534 ( -3.388 -5.596 3.611) 7.472 6.880 ( -13.209 -5.001 2.174) 14.290 7.220 ( 6.163 1.536 3.881) 7.443 7.340 ( -3.515 -1.177 5.996) 7.050 7.474 ( -3.862 1.504 3.884) 5.680 7.817 ( -1.401 -6.634 1.649) 6.978 8.235 ( -1.602 -4.929 5.854) 7.819 8.559 ( 0.421 -0.878 -3.593) 3.722 9.085 ( -0.696 1.500 1.198) 2.042 9.464 ( 0.349 3.766 -11.976) 12.559 10.418 ( 0.243 3.694 19.154) 19.508 10.817 ( -0.735 -6.125 2.581) 6.687 11.158 ( 2.774 2.648 -4.328) 5.782 11.661 ( -0.595 5.247 -9.544) 10.907 14.609 ( -0.132 -1.509 28.542) 28.582 15.987 ( 0.021 -2.074 -7.402) 7.688 20.493 ( -0.537 -1.474 11.716) 11.820 21.630 ( 1.544 -8.069 -14.981) 17.086 22.939 ( -0.220 0.715 4.941) 4.997 23.112 ( -1.678 -0.595 1.493) 2.323 23.257 ( 0.088 1.018 -1.366) 1.706 23.628 ( 1.240 9.942 -9.250) 13.636 ======================= Grid point 280 (94/150) ======================= q-point: (-0.22 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( 0.000 8.032 17.375) 19.141 2.465 ( 0.000 16.124 11.762) 19.959 3.036 ( -0.000 -12.741 14.142) 19.035 3.087 ( -0.000 -12.685 2.202) 12.875 3.561 ( -0.000 -9.508 1.448) 9.617 4.187 ( 0.000 2.818 -9.257) 9.676 4.543 ( -0.000 -5.902 10.031) 11.638 4.883 ( 0.000 9.263 13.612) 16.464 4.957 ( 0.000 1.594 -17.800) 17.871 5.341 ( -0.000 -8.696 -11.743) 14.612 5.347 ( 0.000 2.432 -17.914) 18.079 5.528 ( 0.000 13.918 -6.455) 15.342 6.111 ( -0.000 -5.025 -2.145) 5.463 6.526 ( 0.000 1.865 -2.451) 3.080 6.605 ( -0.000 -3.929 1.401) 4.171 6.880 ( -0.000 -2.623 6.205) 6.737 7.179 ( 0.000 6.423 -3.316) 7.229 7.379 ( -0.000 -4.491 10.327) 11.261 7.407 ( 0.000 2.281 0.489) 2.332 7.920 ( -0.000 -3.932 1.735) 4.298 8.339 ( -0.000 -6.853 7.067) 9.844 8.628 ( -0.000 -5.854 -1.137) 5.964 9.067 ( -0.000 -0.800 1.828) 1.995 9.489 ( -0.000 -6.246 -11.901) 13.441 10.338 ( 0.000 4.996 18.598) 19.257 10.884 ( -0.000 -1.947 0.915) 2.151 11.133 ( 0.000 2.386 -4.190) 4.821 11.534 ( 0.000 8.082 -9.106) 12.175 14.639 ( -0.000 -2.112 27.766) 27.847 16.007 ( -0.000 -0.119 -8.060) 8.061 20.532 ( -0.000 -3.152 12.284) 12.682 21.765 ( -0.000 -5.530 -17.512) 18.365 22.924 ( 0.000 0.579 4.274) 4.313 23.100 ( 0.000 0.592 1.183) 1.323 23.245 ( 0.000 0.517 -1.399) 1.492 23.457 ( 0.000 9.618 -7.262) 12.051 ======================= Grid point 285 (95/150) ======================= q-point: ( 0.33 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 9.563 0.000 13.931) 16.898 2.416 ( 9.509 0.000 22.112) 24.070 3.157 ( -4.681 -0.000 3.229) 5.687 3.424 ( -19.168 -0.000 19.307) 27.206 4.187 ( 3.331 0.000 -11.132) 11.620 4.262 ( 18.536 0.000 6.937) 19.792 4.371 ( -1.151 -0.000 -17.922) 17.959 4.613 ( 10.997 0.000 -3.430) 11.520 4.840 ( 3.165 0.000 -11.983) 12.394 4.983 ( -4.944 -0.000 -5.406) 7.325 5.489 ( -13.368 -0.000 -9.375) 16.327 5.540 ( 2.299 0.000 -6.737) 7.118 6.105 ( -11.788 -0.000 -3.501) 12.297 6.143 ( -1.348 -0.000 -7.509) 7.629 6.564 ( -6.297 -0.000 5.549) 8.393 6.964 ( 1.044 0.000 -2.317) 2.542 7.179 ( -1.690 -0.000 -3.439) 3.831 7.338 ( 3.729 0.000 -1.154) 3.903 7.609 ( -6.663 -0.000 6.347) 9.203 7.627 ( 0.895 0.000 9.656) 9.697 8.462 ( -2.053 -0.000 6.092) 6.428 8.816 ( -2.223 -0.000 -3.035) 3.762 9.533 ( -7.791 -0.000 7.759) 10.996 9.755 ( -4.320 -0.000 -2.023) 4.770 10.242 ( 2.949 0.000 10.895) 11.287 10.476 ( 2.033 0.000 16.242) 16.369 11.316 ( 9.651 0.000 -9.746) 13.716 11.679 ( 5.067 0.000 -10.840) 11.965 14.606 ( -5.818 -0.000 26.669) 27.296 15.741 ( 0.279 0.000 -3.911) 3.921 20.617 ( -8.039 -0.000 10.362) 13.115 21.085 ( 0.726 0.000 -3.461) 3.536 22.964 ( 0.739 0.000 5.238) 5.290 23.069 ( -0.480 -0.000 3.670) 3.701 23.280 ( 3.311 0.000 -2.547) 4.177 24.010 ( 8.024 0.000 -17.097) 18.886 ======================= Grid point 286 (96/150) ======================= q-point: ( 0.44 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 4.297 2.761 9.792) 11.044 2.494 ( 10.785 2.052 20.676) 23.410 3.096 ( -12.004 2.315 14.387) 18.880 3.264 ( -8.348 -4.099 17.088) 19.455 4.078 ( 3.373 11.603 -5.940) 13.465 4.316 ( -4.095 6.607 -5.211) 9.359 4.440 ( 8.864 1.210 -1.463) 9.066 4.635 ( 1.716 2.360 -8.810) 9.280 4.886 ( 1.525 -3.176 -13.596) 14.045 5.066 ( 9.043 -6.672 -13.286) 17.401 5.428 ( -6.962 -5.468 -10.581) 13.796 5.600 ( 0.584 -2.607 -11.806) 12.105 5.994 ( -3.582 -1.444 0.364) 3.880 6.181 ( -1.587 -3.779 -4.013) 5.736 6.576 ( -4.891 -6.571 5.227) 9.717 6.904 ( -0.902 4.728 -0.799) 4.879 7.170 ( -0.320 -0.747 0.160) 0.829 7.378 ( 3.602 2.016 0.015) 4.128 7.509 ( -3.490 1.561 6.961) 7.941 7.656 ( -4.942 -3.102 5.525) 8.036 8.389 ( -2.812 5.609 6.205) 8.825 8.770 ( -1.107 3.003 -3.753) 4.932 9.379 ( -4.528 7.882 8.254) 12.279 9.749 ( -2.026 -1.060 -4.860) 5.371 10.329 ( 1.524 -6.455 10.456) 12.382 10.488 ( 1.513 0.267 17.988) 18.054 11.365 ( 7.154 4.267 -9.730) 12.809 11.725 ( 2.472 -0.740 -10.123) 10.446 14.559 ( -3.109 -0.257 28.053) 28.226 15.779 ( -0.019 -3.678 -4.567) 5.864 20.534 ( -4.210 1.614 10.368) 11.306 21.153 ( 0.025 -6.388 -5.714) 8.570 22.970 ( 0.900 0.355 6.603) 6.673 23.068 ( -0.770 -0.606 3.330) 3.471 23.306 ( 2.131 0.463 -2.497) 3.316 24.036 ( 4.826 4.382 -15.842) 17.130 ======================= Grid point 287 (97/150) ======================= q-point: ( 0.56 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 405 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -1.529 0.526 14.315) 14.406 2.578 ( 10.641 1.398 16.169) 19.407 2.878 ( -14.123 3.884 18.166) 23.336 3.321 ( 2.163 0.067 9.594) 9.835 3.941 ( 4.403 8.518 5.646) 11.128 4.031 ( -5.922 11.317 6.429) 14.299 4.442 ( -1.106 3.132 -11.025) 11.514 4.655 ( -0.302 -2.551 -16.599) 16.797 4.982 ( 1.256 -4.648 -13.019) 13.880 5.243 ( 7.812 -2.886 -16.957) 18.891 5.437 ( -7.398 -2.470 -14.822) 16.749 5.661 ( 2.342 -2.263 -15.509) 15.847 6.142 ( 5.014 -12.739 6.779) 15.277 6.272 ( 4.245 -5.976 -0.138) 7.332 6.612 ( -9.745 -4.602 4.747) 11.776 6.812 ( 1.415 7.956 2.937) 8.598 7.211 ( 4.068 -2.048 3.420) 5.695 7.314 ( -2.325 3.286 6.423) 7.580 7.515 ( 2.366 -1.204 1.907) 3.268 7.638 ( -7.767 -2.616 3.468) 8.899 8.239 ( -2.558 6.390 6.303) 9.333 8.689 ( -0.201 5.199 -5.067) 7.262 9.214 ( -1.802 6.407 6.736) 9.470 9.705 ( -0.357 4.911 -8.315) 9.664 10.482 ( 1.454 -5.602 12.942) 14.177 10.503 ( -0.302 -3.888 14.740) 15.247 11.320 ( 3.395 6.248 -8.391) 10.998 11.750 ( 0.774 0.076 -9.692) 9.723 14.554 ( -0.969 -1.360 28.809) 28.857 15.856 ( -0.143 -4.716 -5.619) 7.337 20.483 ( -1.478 0.772 10.567) 10.697 21.295 ( -0.054 -9.323 -8.970) 12.937 22.968 ( 0.566 0.743 7.406) 7.464 23.076 ( -0.657 -1.076 2.443) 2.749 23.304 ( 0.668 1.314 -2.175) 2.627 23.961 ( 2.203 7.790 -13.853) 16.045 ======================= Grid point 288 (98/150) ======================= q-point: ( 0.67 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -0.000 -9.811 19.469) 21.801 2.651 ( -0.000 -2.784 9.477) 9.877 2.717 ( 0.000 4.667 16.650) 17.291 3.198 ( 0.000 14.166 5.320) 15.132 3.718 ( 0.000 11.511 9.802) 15.119 4.081 ( -0.000 -10.550 14.031) 17.554 4.338 ( 0.000 4.908 -12.927) 13.828 4.729 ( -0.000 -6.280 -17.219) 18.329 5.047 ( -0.000 -1.595 -8.186) 8.340 5.339 ( -0.000 -2.259 -18.480) 18.618 5.382 ( 0.000 2.705 -19.397) 19.585 5.714 ( -0.000 -2.424 -16.075) 16.257 6.364 ( -0.000 -8.612 4.221) 9.591 6.493 ( 0.000 14.715 6.681) 16.161 6.545 ( -0.000 -15.113 3.720) 15.564 6.643 ( 0.000 4.633 6.165) 7.711 7.239 ( -0.000 -0.118 9.372) 9.373 7.318 ( -0.000 -1.981 3.465) 3.991 7.512 ( 0.000 3.660 1.919) 4.133 7.671 ( -0.000 -7.147 1.927) 7.403 8.168 ( -0.000 -0.506 5.702) 5.724 8.596 ( 0.000 4.415 -5.374) 6.955 9.120 ( 0.000 3.250 3.504) 4.779 9.581 ( 0.000 7.914 -10.473) 13.127 10.475 ( 0.000 2.250 19.467) 19.597 10.671 ( -0.000 -9.619 5.419) 11.041 11.235 ( 0.000 4.739 -6.226) 7.824 11.731 ( 0.000 2.594 -9.642) 9.985 14.579 ( -0.000 -1.722 28.895) 28.946 15.933 ( -0.000 -3.853 -6.596) 7.639 20.473 ( -0.000 -0.393 11.044) 11.051 21.470 ( -0.000 -9.997 -12.374) 15.907 22.955 ( 0.000 0.980 6.977) 7.046 23.091 ( -0.000 -0.967 1.753) 2.002 23.280 ( 0.000 1.493 -1.709) 2.269 23.814 ( 0.000 9.748 -11.704) 15.231 ======================= Grid point 296 (99/150) ======================= q-point: ( 0.44 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 3.991 0.000 2.289) 4.601 2.636 ( 11.537 0.000 24.350) 26.945 3.021 ( -17.419 -0.000 24.836) 30.336 3.093 ( -1.280 -0.000 15.249) 15.302 4.209 ( 1.608 0.000 -8.037) 8.197 4.393 ( -0.744 -0.000 -13.949) 13.969 4.492 ( 3.253 0.000 -4.346) 5.429 4.790 ( 7.911 0.000 -8.046) 11.284 4.919 ( -0.942 -0.000 -12.833) 12.867 4.928 ( 1.468 0.000 -4.651) 4.877 5.301 ( -4.030 -0.000 -11.943) 12.604 5.603 ( 2.347 0.000 -14.985) 15.168 5.923 ( -5.102 -0.000 1.960) 5.465 6.143 ( 0.758 0.000 -2.952) 3.048 6.492 ( -1.003 -0.000 3.188) 3.342 6.914 ( -3.204 -0.000 -1.254) 3.440 7.130 ( -2.426 -0.000 2.403) 3.414 7.465 ( 7.191 0.000 0.247) 7.196 7.479 ( -4.067 -0.000 3.931) 5.657 7.591 ( -4.294 -0.000 6.090) 7.452 8.432 ( -0.829 -0.000 5.977) 6.034 8.784 ( -0.810 -0.000 -3.379) 3.474 9.436 ( -2.135 -0.000 8.324) 8.594 9.691 ( -1.687 -0.000 -2.773) 3.246 10.295 ( 1.667 0.000 10.641) 10.771 10.498 ( 0.363 0.000 18.968) 18.972 11.468 ( 4.398 0.000 -11.166) 12.001 11.735 ( 0.854 0.000 -9.512) 9.551 14.530 ( -1.735 -0.000 28.408) 28.461 15.745 ( 0.107 0.000 -4.089) 4.090 20.513 ( -2.377 -0.000 10.042) 10.320 21.097 ( 0.327 0.000 -5.377) 5.387 22.982 ( 0.754 0.000 8.252) 8.286 23.055 ( -0.679 -0.000 3.114) 3.187 23.330 ( 1.349 0.000 -2.852) 3.155 24.112 ( 2.274 0.000 -16.164) 16.323 ======================= Grid point 297 (100/150) ======================= q-point: ( 0.56 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 0.000 6.444 7.150) 9.625 2.763 ( -0.000 -2.811 21.715) 21.896 2.780 ( 0.000 8.780 20.444) 22.249 3.222 ( -0.000 -9.661 16.909) 19.475 4.137 ( 0.000 8.076 -3.818) 8.933 4.229 ( 0.000 14.263 0.991) 14.297 4.522 ( 0.000 1.837 -13.197) 13.324 4.677 ( 0.000 7.097 -14.334) 15.995 4.894 ( -0.000 -4.985 -12.619) 13.568 5.229 ( -0.000 -14.382 -10.071) 17.558 5.281 ( -0.000 -0.111 -13.741) 13.741 5.636 ( -0.000 -1.976 -16.347) 16.466 5.957 ( -0.000 -7.510 5.334) 9.211 6.193 ( -0.000 -4.801 -1.060) 4.916 6.504 ( -0.000 -1.783 3.346) 3.791 6.894 ( 0.000 0.917 -0.238) 0.948 7.153 ( -0.000 -3.968 4.308) 5.857 7.402 ( 0.000 5.573 4.118) 6.930 7.538 ( -0.000 -1.057 -1.105) 1.529 7.548 ( -0.000 -0.427 6.610) 6.624 8.359 ( 0.000 6.929 6.283) 9.354 8.759 ( 0.000 2.533 -4.046) 4.774 9.333 ( 0.000 7.708 8.324) 11.345 9.728 ( -0.000 -2.062 -5.341) 5.725 10.349 ( -0.000 -5.351 10.607) 11.881 10.502 ( -0.000 -0.187 19.441) 19.442 11.445 ( 0.000 4.890 -10.702) 11.766 11.746 ( -0.000 -0.689 -9.307) 9.333 14.528 ( -0.000 -0.787 28.726) 28.737 15.779 ( -0.000 -3.477 -4.578) 5.749 20.491 ( 0.000 0.952 10.109) 10.154 21.154 ( -0.000 -5.992 -6.616) 8.926 22.983 ( 0.000 0.446 8.759) 8.770 23.057 ( -0.000 -0.641 2.567) 2.646 23.329 ( 0.000 0.886 -2.717) 2.858 24.083 ( 0.000 4.413 -15.410) 16.030 ======================= Grid point 340 (101/150) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 0.000 0.000 26.247) 26.247 2.686 ( 0.000 0.000 25.886) 25.886 3.253 ( 0.000 0.000 6.546) 6.546 3.260 ( 0.000 0.000 -11.917) 11.917 3.479 ( 0.000 0.000 -12.974) 12.974 3.580 ( 0.000 0.000 -20.151) 20.151 3.999 ( 0.000 0.000 -5.337) 5.337 4.285 ( 0.000 0.000 -17.100) 17.100 5.055 ( 0.000 0.000 19.049) 19.049 5.664 ( 0.000 0.000 4.170) 4.170 5.837 ( 0.000 0.000 -5.931) 5.931 6.019 ( 0.000 0.000 -13.983) 13.983 6.325 ( 0.000 0.000 7.509) 7.509 6.345 ( 0.000 0.000 7.576) 7.576 6.727 ( 0.000 0.000 -9.963) 9.963 6.906 ( 0.000 0.000 -11.412) 11.412 7.328 ( 0.000 0.000 6.523) 6.523 7.372 ( 0.000 0.000 4.680) 4.680 7.393 ( 0.000 0.000 3.458) 3.458 7.495 ( 0.000 0.000 0.866) 0.866 8.726 ( 0.000 0.000 6.359) 6.359 8.896 ( 0.000 0.000 -2.357) 2.357 10.135 ( 0.000 0.000 0.498) 0.498 10.244 ( 0.000 0.000 -4.174) 4.174 10.358 ( 0.000 0.000 7.995) 7.995 10.408 ( 0.000 0.000 14.118) 14.118 10.712 ( 0.000 0.000 -8.406) 8.406 10.904 ( 0.000 0.000 -10.015) 10.015 15.294 ( 0.000 0.000 10.193) 10.193 15.635 ( 0.000 0.000 -5.885) 5.885 21.144 ( 0.000 0.000 5.150) 5.150 21.408 ( 0.000 0.000 -7.259) 7.259 22.970 ( 0.000 0.000 -0.062) 0.062 22.987 ( 0.000 0.000 -0.870) 0.870 23.040 ( 0.000 0.000 2.016) 2.016 23.144 ( 0.000 0.000 -2.783) 2.783 ======================= Grid point 341 (102/150) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 0.691 -4.057 24.498) 24.842 2.651 ( 0.712 2.121 24.442) 24.544 3.181 ( 0.588 5.150 -8.681) 10.111 3.330 ( 0.472 -3.356 -4.062) 5.291 3.567 ( 5.191 -3.377 -11.084) 12.696 3.701 ( 4.779 -11.213 -16.610) 20.603 4.016 ( 2.532 -3.033 -1.308) 4.161 4.415 ( 2.586 -11.382 -14.618) 18.707 5.055 ( -2.541 -1.482 17.858) 18.098 5.462 ( -5.137 15.086 8.597) 18.108 5.785 ( -8.086 5.255 -7.212) 12.042 5.993 ( -3.587 3.129 -9.030) 10.208 6.218 ( -1.652 5.557 1.856) 6.087 6.383 ( 0.950 -0.615 4.576) 4.714 6.688 ( -6.984 0.845 -8.688) 11.179 6.772 ( -1.315 7.828 -9.842) 12.644 7.281 ( 0.041 4.266 6.682) 7.928 7.370 ( -1.978 -3.649 3.732) 5.582 7.493 ( 8.227 -1.558 3.733) 9.168 7.628 ( 3.777 -9.207 -0.833) 9.987 8.714 ( -1.074 0.881 6.398) 6.547 8.880 ( -1.333 1.413 -1.988) 2.779 9.920 ( -3.465 19.874 3.173) 20.421 9.990 ( -4.456 11.287 -1.997) 12.298 10.454 ( 4.184 -1.373 13.577) 14.273 10.566 ( -4.204 -12.957 2.100) 13.783 10.786 ( 1.966 -5.395 -6.033) 8.328 10.987 ( 8.359 -4.100 -10.488) 14.024 15.250 ( -1.680 3.078 13.185) 13.644 15.672 ( -0.273 -3.551 -7.591) 8.385 21.070 ( -1.750 6.037 7.578) 9.846 21.408 ( -6.762 -3.442 -8.969) 11.748 22.973 ( 1.772 0.653 0.783) 2.044 23.031 ( 2.034 -2.333 -1.843) 3.602 23.069 ( 3.006 -1.849 1.492) 3.832 23.171 ( 3.638 -1.067 -3.107) 4.901 ======================= Grid point 342 (103/150) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( -0.681 -2.437 21.351) 21.501 2.710 ( 5.852 -5.215 20.862) 22.286 3.137 ( 1.719 0.994 -4.695) 5.098 3.293 ( -2.885 4.490 -9.782) 11.143 3.697 ( 6.562 -2.498 -7.613) 10.356 3.953 ( 6.139 -8.695 -17.561) 20.535 4.230 ( 5.941 -15.074 5.406) 17.080 4.685 ( 2.863 -13.965 -12.590) 19.019 5.015 ( -8.166 7.530 12.363) 16.620 5.136 ( -2.454 7.779 17.233) 19.066 5.520 ( -11.184 10.437 -3.492) 15.691 5.826 ( -5.294 8.508 -4.089) 10.823 6.112 ( 2.450 8.830 -9.512) 13.208 6.268 ( -13.395 5.894 -5.470) 15.624 6.631 ( 1.419 -2.870 -0.623) 3.262 6.789 ( 0.764 -6.179 -6.533) 9.025 7.194 ( 0.524 5.687 7.135) 9.139 7.398 ( 0.242 0.127 -0.573) 0.635 7.611 ( 5.583 -3.731 5.854) 8.908 7.817 ( 3.088 -7.040 -1.780) 7.891 8.661 ( -2.672 3.282 6.147) 7.463 8.806 ( -3.334 4.309 -1.236) 5.587 9.540 ( -2.581 18.368 4.823) 19.165 9.716 ( -3.083 14.363 -5.162) 15.571 10.534 ( 3.455 -3.394 13.179) 14.041 10.721 ( -4.795 -10.356 0.862) 11.445 10.892 ( 2.705 -3.336 -2.348) 4.895 11.174 ( 9.225 -5.330 -11.137) 15.413 15.182 ( -1.700 2.026 17.937) 18.131 15.733 ( -0.591 -3.521 -9.801) 10.431 20.938 ( -2.779 5.386 10.768) 12.356 21.386 ( -7.788 -2.629 -11.334) 14.001 22.980 ( 0.871 0.145 1.984) 2.172 23.084 ( 0.502 -2.199 -2.148) 3.115 23.151 ( 4.621 -1.999 0.523) 5.062 23.253 ( 7.301 -1.318 -4.253) 8.552 ======================= Grid point 343 (104/150) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 0.578 -4.666 17.795) 18.405 2.894 ( 6.287 -7.061 14.684) 17.464 3.115 ( -2.245 5.171 -2.162) 6.037 3.222 ( 3.285 -0.615 -1.558) 3.687 3.763 ( 2.153 -0.090 0.290) 2.175 4.096 ( 2.985 0.493 -9.235) 9.718 4.539 ( 3.340 -10.090 0.731) 10.654 4.682 ( -5.850 7.410 2.886) 9.872 4.887 ( -3.789 -4.453 -11.134) 12.575 5.148 ( -1.009 0.128 0.628) 1.196 5.329 ( -2.345 -3.500 7.879) 8.935 5.605 ( -2.462 10.863 -4.021) 11.842 5.909 ( -4.849 9.976 -4.240) 11.875 6.119 ( -3.413 0.875 -9.892) 10.500 6.732 ( -0.658 -6.109 3.951) 7.305 6.912 ( -1.631 -5.734 -4.358) 7.385 7.126 ( 4.065 2.508 5.664) 7.409 7.379 ( 0.525 2.034 -3.028) 3.685 7.733 ( 4.211 -4.225 6.367) 8.725 7.922 ( 1.189 -2.169 -1.031) 2.680 8.547 ( -3.667 5.087 5.526) 8.358 8.668 ( -4.841 6.036 -0.769) 7.775 9.248 ( -0.612 11.862 3.363) 12.344 9.442 ( -1.626 13.135 -7.259) 15.096 10.639 ( 2.907 -4.376 13.455) 14.444 10.842 ( -3.794 -8.066 -0.147) 8.915 10.953 ( 2.567 -0.465 0.697) 2.700 11.334 ( 6.156 -3.462 -11.943) 13.875 15.148 ( -0.947 0.424 21.000) 21.025 15.780 ( -0.511 -2.301 -10.847) 11.100 20.836 ( -2.168 3.064 12.363) 12.920 21.352 ( -5.549 -1.450 -12.896) 14.113 22.986 ( 0.442 -0.058 2.697) 2.733 23.121 ( -0.239 -1.765 -2.909) 3.411 23.223 ( 3.630 -1.276 1.050) 3.988 23.341 ( 6.099 -0.469 -4.913) 7.845 ======================= Grid point 344 (105/150) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 0.768 -4.353 12.696) 13.444 2.972 ( -1.804 3.847 3.774) 5.684 3.080 ( 4.095 -4.351 11.842) 13.264 3.277 ( 2.431 0.440 -1.484) 2.882 3.780 ( -2.692 -3.757 13.225) 14.009 3.970 ( 0.739 10.668 8.262) 13.513 4.577 ( -1.645 -2.345 -9.908) 10.313 4.748 ( -0.290 -4.857 -9.639) 10.798 4.893 ( 0.549 -1.232 -9.434) 9.530 5.049 ( -1.720 4.959 -14.922) 15.818 5.415 ( 4.265 2.877 0.502) 5.169 5.453 ( -9.086 -0.730 -1.963) 9.324 5.854 ( 7.520 -4.703 4.472) 9.933 6.045 ( -5.170 4.887 -1.361) 7.244 6.788 ( -1.466 -1.483 5.400) 5.789 6.969 ( -1.476 -3.706 -3.717) 5.453 7.177 ( 4.717 -0.233 2.365) 5.282 7.345 ( -1.160 0.994 -0.890) 1.768 7.839 ( 2.730 -3.232 5.331) 6.805 7.924 ( -0.471 1.754 1.149) 2.149 8.453 ( -0.853 1.729 3.766) 4.231 8.523 ( -3.766 4.027 -0.695) 5.558 9.118 ( 0.314 2.886 0.397) 2.930 9.246 ( -0.642 6.444 -7.790) 10.131 10.727 ( 1.374 -2.227 14.147) 14.387 10.918 ( -2.419 -3.743 -1.204) 4.616 10.967 ( 1.808 1.048 2.506) 3.263 11.418 ( 2.135 -1.118 -12.493) 12.723 15.141 ( -0.267 -0.065 22.254) 22.255 15.804 ( -0.191 -0.787 -11.119) 11.149 20.786 ( -0.785 0.949 12.875) 12.934 21.330 ( -1.970 -0.466 -13.640) 13.789 22.990 ( 0.145 -0.049 3.015) 3.019 23.140 ( -0.168 -0.671 -3.346) 3.417 23.265 ( 1.371 -0.452 1.358) 1.982 23.388 ( 2.243 -0.012 -4.861) 5.354 ======================= Grid point 350 (106/150) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 2.899 0.000 24.272) 24.445 2.668 ( -0.957 -0.000 21.903) 21.924 3.216 ( -2.800 -0.000 -4.981) 5.714 3.370 ( 8.986 0.000 -14.984) 17.472 3.599 ( 2.818 0.000 -12.005) 12.331 3.652 ( 15.319 0.000 -0.066) 15.319 4.047 ( 4.861 0.000 -6.082) 7.786 4.339 ( 4.361 0.000 -16.574) 17.138 5.007 ( -4.208 -0.000 17.965) 18.452 5.474 ( -16.666 -0.000 4.899) 17.371 5.797 ( -4.905 -0.000 -6.112) 7.837 5.949 ( -8.543 -0.000 -2.674) 8.952 6.149 ( -8.148 -0.000 1.601) 8.304 6.500 ( 9.205 0.000 -0.138) 9.207 6.566 ( -14.490 -0.000 -9.055) 17.087 6.813 ( -5.480 -0.000 -9.261) 10.761 7.277 ( -3.031 -0.000 4.702) 5.594 7.353 ( 0.652 0.000 2.959) 3.029 7.579 ( 7.500 0.000 4.135) 8.565 7.606 ( 10.637 0.000 2.464) 10.919 8.705 ( -2.144 -0.000 6.065) 6.433 8.874 ( -2.123 -0.000 -2.547) 3.316 10.012 ( -8.668 -0.000 0.719) 8.698 10.080 ( -12.656 -0.000 -2.056) 12.822 10.366 ( 1.239 0.000 9.317) 9.399 10.536 ( 8.750 0.000 13.495) 16.083 10.763 ( 4.979 0.000 -9.220) 10.478 11.052 ( 11.265 0.000 -11.220) 15.899 15.252 ( -3.780 -0.000 12.262) 12.831 15.633 ( -0.158 -0.000 -6.202) 6.204 21.118 ( -2.307 -0.000 3.380) 4.092 21.256 ( -12.478 -0.000 -2.140) 12.660 22.991 ( 0.710 0.000 1.131) 1.335 23.067 ( 5.631 0.000 -2.557) 6.185 23.076 ( 2.947 0.000 2.196) 3.675 23.227 ( 9.503 0.000 -5.583) 11.022 ======================= Grid point 351 (107/150) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( 3.073 -1.391 21.981) 22.238 2.674 ( 1.588 -2.039 19.652) 19.821 3.180 ( -1.045 0.982 -8.407) 8.528 3.400 ( 6.522 5.746 -12.938) 15.587 3.673 ( 6.050 -4.006 -5.309) 8.991 3.947 ( 17.059 -8.002 -6.894) 20.064 4.109 ( 6.174 -3.500 -1.344) 7.223 4.495 ( 3.926 -10.913 -12.164) 16.807 4.966 ( -5.869 -0.545 14.841) 15.968 5.233 ( -16.393 6.495 9.621) 20.087 5.560 ( -11.951 11.482 -0.748) 16.590 5.847 ( -9.558 3.013 -7.435) 12.478 6.127 ( -7.108 -3.899 -3.135) 8.692 6.337 ( -8.943 8.445 -8.151) 14.756 6.607 ( 4.792 -1.193 -2.780) 5.667 6.743 ( -0.851 0.991 -6.025) 6.165 7.254 ( -2.415 0.199 5.393) 5.912 7.368 ( -0.718 -1.781 0.992) 2.161 7.647 ( 6.192 0.673 5.388) 8.236 7.746 ( 5.858 -4.857 0.876) 7.659 8.667 ( -3.526 1.281 5.777) 6.888 8.828 ( -3.592 2.320 -2.362) 4.885 9.793 ( -8.090 14.186 2.940) 16.593 9.865 ( -6.697 7.134 -1.856) 9.960 10.487 ( -1.235 -8.707 6.398) 10.875 10.591 ( 7.423 1.399 11.670) 13.901 10.872 ( 5.911 -3.758 -5.484) 8.896 11.199 ( 10.565 -3.144 -11.873) 16.201 15.191 ( -3.683 1.665 15.912) 16.418 15.663 ( -0.464 -3.176 -7.698) 8.340 20.995 ( -5.750 5.800 6.632) 10.521 21.218 ( -9.230 -5.666 -4.285) 11.647 22.998 ( 1.382 0.425 2.360) 2.767 23.088 ( 2.800 0.523 -0.164) 2.853 23.153 ( 3.829 -2.459 0.283) 4.559 23.344 ( 11.880 0.147 -8.395) 14.547 ======================= Grid point 352 (108/150) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 3.180 -1.243 19.427) 19.725 2.780 ( 0.806 -7.133 17.265) 18.698 3.166 ( 0.838 1.228 -6.126) 6.304 3.351 ( 8.322 6.511 -5.816) 12.061 3.777 ( 2.125 -0.344 0.592) 2.232 4.106 ( 5.508 -2.210 -16.705) 17.727 4.398 ( 9.985 -12.339 2.340) 16.044 4.719 ( -2.047 -9.610 -8.358) 12.900 4.799 ( -10.295 11.472 8.469) 17.587 5.039 ( -8.083 -3.031 12.718) 15.371 5.303 ( -6.804 4.173 -2.639) 8.407 5.673 ( -9.141 5.367 -9.603) 14.304 6.038 ( -5.991 5.365 -2.939) 8.562 6.176 ( 1.656 3.290 -9.386) 10.082 6.657 ( 2.979 -0.601 0.922) 3.176 6.799 ( 0.762 -5.584 -4.632) 7.295 7.213 ( 0.618 2.671 5.947) 6.548 7.386 ( -1.864 -1.217 -0.738) 2.345 7.696 ( 2.085 -1.983 6.726) 7.315 7.871 ( 1.190 -4.569 -0.501) 4.748 8.576 ( -5.523 3.798 5.366) 8.586 8.714 ( -5.165 5.206 -1.980) 7.596 9.472 ( -3.819 14.283 4.440) 15.437 9.646 ( -3.474 11.249 -5.165) 12.856 10.612 ( 2.248 -4.923 7.845) 9.531 10.678 ( 2.736 -5.108 7.851) 9.758 10.973 ( 4.548 -1.300 -1.687) 5.022 11.350 ( 7.456 -2.804 -12.300) 14.655 15.140 ( -2.195 0.417 19.784) 19.910 15.720 ( -0.592 -3.531 -9.501) 10.153 20.857 ( -4.884 3.252 10.049) 11.637 21.230 ( -6.355 -4.733 -8.421) 11.563 23.004 ( 1.748 0.710 3.181) 3.698 23.110 ( 1.886 -0.316 -0.578) 1.998 23.227 ( 2.619 -1.805 1.009) 3.337 23.438 ( 9.306 1.854 -9.017) 13.090 ======================= Grid point 353 (109/150) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 3.842 -3.408 16.186) 16.981 2.905 ( -3.031 -7.541 12.875) 15.226 3.120 ( 2.137 5.000 1.356) 5.604 3.358 ( 5.367 3.586 -1.828) 6.709 3.732 ( -1.433 1.991 10.942) 11.213 4.150 ( -0.643 5.114 -5.047) 7.214 4.496 ( -5.827 0.689 0.441) 5.884 4.661 ( 3.542 -5.652 -4.492) 8.042 4.832 ( -0.455 -5.153 -11.995) 13.063 5.007 ( -13.793 -3.016 -3.155) 14.467 5.273 ( -1.576 -1.222 -2.371) 3.098 5.501 ( -6.637 2.923 -9.570) 12.007 5.972 ( 10.749 2.398 2.975) 11.408 6.183 ( 7.759 4.254 -4.752) 10.044 6.694 ( -1.635 -2.850 5.497) 6.404 6.892 ( -0.217 -4.112 -4.306) 5.958 7.216 ( 3.768 -0.886 3.724) 5.371 7.364 ( -1.551 1.533 -0.327) 2.205 7.763 ( -1.516 -4.736 6.872) 8.482 7.918 ( -2.590 -1.255 0.095) 2.880 8.446 ( -6.081 2.607 4.580) 8.046 8.561 ( -4.567 5.349 -2.156) 7.356 9.231 ( -1.129 9.491 2.726) 9.939 9.413 ( -1.161 11.622 -7.285) 13.766 10.714 ( 3.888 -2.612 11.412) 12.336 10.799 ( -0.136 -6.374 4.305) 7.693 11.013 ( 2.948 0.902 -0.260) 3.094 11.438 ( 3.800 -0.429 -12.628) 13.194 15.128 ( -0.888 -0.637 21.874) 21.901 15.770 ( -0.358 -2.564 -10.505) 10.820 20.782 ( -2.941 0.793 11.811) 12.198 21.260 ( -3.174 -4.101 -11.585) 12.693 23.008 ( 1.836 0.909 3.685) 4.217 23.135 ( 1.330 -0.521 -1.121) 1.816 23.264 ( 0.450 -0.566 1.310) 1.497 23.464 ( 5.280 3.525 -8.153) 10.333 ======================= Grid point 354 (110/150) ======================= q-point: ( 0.56 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( 2.722 -1.396 11.914) 12.300 2.955 ( -0.795 -0.878 7.466) 7.559 3.080 ( -1.571 2.100 8.607) 8.998 3.262 ( -5.453 2.126 4.837) 7.593 3.782 ( 3.428 -3.305 9.668) 10.777 3.962 ( -1.402 7.815 9.407) 12.310 4.563 ( 0.097 -6.297 -11.219) 12.866 4.761 ( 1.255 -2.867 -8.911) 9.445 4.872 ( -4.048 0.398 -7.743) 8.746 4.966 ( -4.430 -6.358 -13.937) 15.947 5.217 ( -8.178 -1.115 -2.171) 8.535 5.481 ( -0.929 -4.063 -10.590) 11.380 6.082 ( 9.652 13.576 5.713) 17.609 6.140 ( 16.295 1.466 2.927) 16.620 6.735 ( -3.517 -4.524 5.976) 8.279 6.965 ( -0.968 -4.668 -5.546) 7.313 7.218 ( 0.748 5.728 3.682) 6.850 7.354 ( 2.364 -0.579 0.014) 2.434 7.792 ( -7.141 -2.026 6.382) 9.789 7.890 ( -2.923 -1.162 0.799) 3.245 8.395 ( -3.741 -2.444 3.723) 5.817 8.490 ( 0.197 -1.426 -1.911) 2.393 9.117 ( -0.446 2.819 0.420) 2.884 9.244 ( 0.318 5.476 -7.894) 9.612 10.761 ( 1.793 1.208 14.546) 14.706 10.890 ( -0.586 -4.155 2.837) 5.066 11.013 ( 2.596 2.032 -1.436) 3.596 11.441 ( 0.167 2.383 -12.680) 12.903 15.136 ( -0.172 -0.648 22.490) 22.500 15.801 ( -0.024 -1.111 -11.011) 11.067 20.765 ( -1.142 -1.121 12.816) 12.915 21.312 ( 0.104 -3.517 -13.861) 14.301 23.009 ( 1.688 1.137 3.941) 4.436 23.153 ( 1.044 -0.130 -1.622) 1.934 23.256 ( -1.857 0.628 1.145) 2.270 23.425 ( 1.171 4.354 -6.844) 8.196 ======================= Grid point 355 (111/150) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( 1.187 5.874 13.954) 15.186 2.898 ( -9.617 5.037 12.512) 16.565 3.053 ( 4.729 -4.940 1.663) 7.038 3.249 ( -1.202 0.409 1.281) 1.804 3.735 ( -5.915 2.288 7.269) 9.647 4.024 ( 4.753 -6.270 3.737) 8.711 4.622 ( 2.343 0.603 -7.485) 7.866 4.721 ( -3.032 6.081 -4.085) 7.928 4.923 ( 3.621 -5.708 -11.027) 12.934 5.049 ( -0.828 -6.208 -12.598) 14.069 5.251 ( -7.948 -11.824 3.600) 14.694 5.513 ( -3.318 2.388 -2.424) 4.753 5.949 ( 12.649 6.044 3.965) 14.569 6.248 ( 12.550 5.126 -4.884) 14.410 6.762 ( -4.533 -1.752 5.369) 7.242 6.993 ( -3.524 -0.242 -5.101) 6.205 7.115 ( 2.902 5.789 5.665) 8.603 7.360 ( 0.640 1.061 -3.015) 3.260 7.714 ( -8.353 0.441 7.218) 11.048 7.914 ( -0.985 -2.203 -1.434) 2.807 8.464 ( 0.583 -6.589 5.207) 8.418 8.589 ( 2.105 -6.740 -1.037) 7.136 9.109 ( -0.484 -3.318 1.312) 3.601 9.267 ( 1.138 -6.839 -7.991) 10.579 10.709 ( -0.405 4.888 15.841) 16.583 10.928 ( -1.259 -0.877 2.448) 2.889 10.996 ( 3.885 3.677 -3.180) 6.223 11.359 ( -3.236 4.943 -12.250) 13.601 15.146 ( 0.211 -0.499 22.047) 22.054 15.808 ( 0.223 0.474 -11.300) 11.312 20.795 ( 0.187 -2.800 13.368) 13.659 21.383 ( 2.685 -2.703 -15.370) 15.836 23.002 ( 1.273 1.329 3.945) 4.353 23.158 ( 0.504 0.702 -1.532) 1.759 23.210 ( -2.551 1.684 0.231) 3.065 23.340 ( -2.460 4.313 -5.466) 7.385 ======================= Grid point 356 (112/150) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 2.598 4.603 19.106) 19.824 2.720 ( -7.694 4.557 16.995) 19.204 3.166 ( 0.992 3.295 -1.660) 3.820 3.241 ( 3.515 -5.941 -5.591) 8.883 3.649 ( -5.878 1.236 -4.222) 7.342 4.074 ( -0.007 5.181 -11.838) 12.922 4.470 ( -2.170 15.188 3.141) 15.660 4.788 ( 3.639 -13.424 5.869) 15.096 4.911 ( -1.139 8.494 -14.512) 16.854 5.183 ( 1.940 3.941 16.987) 17.546 5.352 ( 1.281 -14.068 -8.185) 16.326 5.568 ( -3.603 -16.147 3.361) 16.882 6.072 ( 6.333 -1.759 -5.210) 8.387 6.301 ( 10.992 -2.149 -10.406) 15.289 6.673 ( -5.575 4.871 2.778) 7.907 6.894 ( -3.349 6.583 -6.845) 10.070 7.115 ( 2.330 -2.344 8.041) 8.694 7.371 ( 0.396 -1.603 -2.910) 3.345 7.623 ( -4.841 2.292 7.909) 9.552 7.897 ( -0.882 3.570 -3.672) 5.197 8.597 ( 1.212 -6.228 6.202) 8.872 8.734 ( 1.561 -6.736 -0.717) 6.952 9.258 ( 0.327 -13.512 4.348) 14.198 9.472 ( 0.977 -14.008 -7.417) 15.881 10.601 ( -0.905 5.910 15.880) 16.968 10.890 ( -0.479 3.906 1.038) 4.069 10.963 ( 3.960 4.708 -3.747) 7.203 11.205 ( -5.372 7.027 -11.423) 14.447 15.163 ( 0.413 -1.231 20.379) 20.420 15.788 ( 0.261 2.068 -11.159) 11.352 20.866 ( 0.714 -4.560 13.143) 13.930 21.453 ( 3.260 -1.414 -15.902) 16.294 22.987 ( 0.335 1.339 3.528) 3.789 23.127 ( -2.334 1.529 1.046) 2.980 23.161 ( 1.641 3.416 -3.274) 5.008 23.234 ( -4.426 2.994 -3.565) 6.423 ======================= Grid point 357 (113/150) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 0.000 5.903 21.148) 21.956 2.608 ( -0.000 -0.507 23.680) 23.686 3.123 ( -0.000 -0.037 -5.000) 5.000 3.365 ( -0.000 -2.696 -8.190) 8.622 3.577 ( 0.000 2.259 -11.619) 11.837 3.899 ( 0.000 12.318 -18.422) 22.161 4.166 ( 0.000 14.972 6.382) 16.275 4.651 ( 0.000 15.540 -12.866) 20.175 5.110 ( 0.000 3.267 17.458) 17.761 5.149 ( -0.000 -20.672 12.061) 23.934 5.661 ( -0.000 -14.165 -11.443) 18.210 5.859 ( -0.000 -16.278 3.821) 16.721 6.098 ( -0.000 -0.904 -6.700) 6.761 6.509 ( 0.000 8.018 3.463) 8.734 6.542 ( -0.000 -13.213 -11.102) 17.258 6.768 ( 0.000 4.523 -7.462) 8.726 7.194 ( -0.000 -4.721 7.995) 9.284 7.404 ( -0.000 -1.306 -1.115) 1.717 7.528 ( 0.000 5.524 7.053) 8.959 7.779 ( 0.000 8.533 -3.377) 9.177 8.687 ( -0.000 -3.107 6.584) 7.280 8.841 ( -0.000 -4.081 -1.154) 4.241 9.568 ( -0.000 -20.008 5.119) 20.652 9.752 ( -0.000 -16.024 -5.467) 16.931 10.497 ( 0.000 4.822 15.264) 16.007 10.785 ( 0.000 8.225 0.141) 8.226 10.891 ( 0.000 6.218 -4.177) 7.491 11.036 ( 0.000 6.894 -10.884) 12.884 15.201 ( -0.000 -2.755 17.130) 17.350 15.740 ( 0.000 3.488 -9.987) 10.578 20.966 ( -0.000 -6.109 11.386) 12.921 21.481 ( 0.000 0.822 -14.353) 14.377 22.965 ( 0.000 0.830 2.393) 2.533 23.083 ( 0.000 1.762 1.808) 2.525 23.091 ( 0.000 4.635 -3.573) 5.852 23.175 ( 0.000 1.334 -2.408) 2.753 ======================= Grid point 360 (114/150) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 5.450 0.000 21.366) 22.050 2.681 ( 2.851 0.000 16.862) 17.102 3.160 ( -1.972 -0.000 -7.256) 7.519 3.529 ( 5.961 0.000 -21.957) 22.751 3.753 ( 11.638 0.000 2.099) 11.825 4.023 ( 18.172 0.000 4.303) 18.674 4.212 ( 12.070 0.000 -8.409) 14.711 4.391 ( -2.165 -0.000 -9.352) 9.599 4.900 ( -6.222 -0.000 13.987) 15.309 5.085 ( -17.627 -0.000 3.775) 18.026 5.604 ( -13.495 -0.000 -7.241) 15.315 5.709 ( -13.115 -0.000 2.655) 13.381 6.029 ( -3.671 -0.000 -5.252) 6.408 6.250 ( -14.263 -0.000 -7.527) 16.127 6.715 ( 11.035 0.000 -4.469) 11.905 6.738 ( -2.000 -0.000 -2.083) 2.887 7.204 ( -4.173 -0.000 2.604) 4.919 7.326 ( -3.079 -0.000 -1.021) 3.244 7.728 ( 5.432 0.000 5.612) 7.811 7.756 ( 3.145 0.000 3.159) 4.458 8.642 ( -3.609 -0.000 5.558) 6.627 8.815 ( -3.404 -0.000 -3.084) 4.593 9.823 ( -11.367 -0.000 1.183) 11.428 9.841 ( -7.586 -0.000 -0.864) 7.635 10.414 ( 3.410 0.000 11.660) 12.149 10.703 ( 7.190 0.000 15.174) 16.791 10.905 ( 8.434 0.000 -11.144) 13.976 11.278 ( 9.843 0.000 -12.563) 15.960 15.161 ( -4.514 -0.000 16.531) 17.136 15.630 ( -0.150 -0.000 -6.901) 6.903 20.992 ( -11.915 -0.000 4.207) 12.636 21.062 ( -2.904 -0.000 -0.446) 2.938 23.020 ( 2.007 0.000 3.394) 3.943 23.141 ( 2.998 0.000 4.780) 5.643 23.153 ( 3.583 0.000 -2.879) 4.596 23.475 ( 12.293 0.000 -11.997) 17.177 ======================= Grid point 361 (115/150) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( 5.085 0.221 19.900) 20.541 2.724 ( 3.793 -0.884 16.454) 16.908 3.174 ( 1.741 -1.648 -5.508) 6.008 3.544 ( 6.482 4.820 -13.632) 15.845 3.838 ( 8.604 2.012 1.523) 8.966 4.164 ( -1.079 5.376 -8.806) 10.374 4.321 ( 12.693 -9.266 3.334) 16.065 4.526 ( 1.541 -9.992 -4.885) 11.229 4.828 ( -7.364 1.242 6.300) 9.770 4.925 ( -10.565 2.124 1.920) 10.946 5.338 ( -8.452 7.638 -2.442) 11.651 5.616 ( -12.751 -0.106 -7.100) 14.595 6.005 ( -3.062 -0.634 -2.580) 4.054 6.152 ( -6.542 -2.534 -6.986) 9.901 6.735 ( 1.095 -1.815 0.280) 2.138 6.780 ( 7.309 3.779 -3.540) 8.958 7.190 ( -2.863 -2.443 3.039) 4.838 7.324 ( -2.679 -2.537 -1.771) 4.092 7.721 ( 0.200 2.392 6.274) 6.718 7.805 ( -0.675 -2.777 1.822) 3.389 8.582 ( -4.334 2.728 5.264) 7.344 8.748 ( -3.691 3.514 -3.179) 6.006 9.627 ( -7.439 8.962 3.800) 12.251 9.740 ( -5.282 4.229 -2.989) 7.397 10.505 ( 2.644 -5.511 10.433) 12.092 10.744 ( 6.834 2.050 13.514) 15.282 11.007 ( 6.919 -1.053 -8.064) 10.677 11.385 ( 7.240 -1.689 -12.814) 14.815 15.117 ( -3.207 0.088 19.251) 19.517 15.656 ( -0.273 -2.790 -7.977) 8.455 20.849 ( -7.395 2.709 7.632) 10.966 21.084 ( -4.112 -4.687 -4.477) 7.676 23.039 ( 2.456 0.468 4.137) 4.834 23.144 ( 2.594 1.348 2.351) 3.751 23.218 ( 2.471 -1.943 0.666) 3.214 23.573 ( 9.556 1.922 -13.099) 16.328 ======================= Grid point 362 (116/150) ======================= q-point: ( 0.44 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 5.011 -1.077 18.571) 19.265 2.780 ( 1.069 -2.440 16.951) 17.159 3.221 ( 4.985 1.649 -2.548) 5.836 3.489 ( 0.575 7.013 -0.866) 7.089 3.817 ( 3.214 5.098 4.401) 7.462 4.107 ( -3.626 -2.844 -9.585) 10.636 4.524 ( -9.535 4.429 0.322) 10.518 4.583 ( 2.442 -4.928 3.635) 6.593 4.744 ( 1.592 -2.423 -7.227) 7.787 4.838 ( -6.648 -1.733 -3.562) 7.738 5.265 ( -0.279 -0.573 -8.557) 8.581 5.456 ( -11.140 2.649 -11.510) 16.236 6.056 ( 7.369 -4.180 2.481) 8.828 6.211 ( 2.513 -5.920 -3.484) 7.315 6.754 ( 4.690 5.409 0.822) 7.206 6.813 ( -0.196 -4.723 -1.072) 4.847 7.217 ( 0.941 -1.892 4.124) 4.634 7.346 ( -0.659 -1.597 -0.874) 1.936 7.683 ( -3.677 -0.740 6.992) 7.934 7.829 ( -5.517 -3.272 0.129) 6.415 8.452 ( -5.857 5.303 5.254) 9.489 8.624 ( -3.094 5.980 -3.742) 7.703 9.392 ( -3.772 10.400 4.664) 12.006 9.584 ( -2.374 8.720 -5.833) 10.757 10.642 ( 1.805 -6.901 8.044) 10.751 10.789 ( 5.761 0.349 13.448) 14.635 11.063 ( 4.019 0.989 -5.269) 6.700 11.468 ( 4.047 -0.827 -12.893) 13.538 15.101 ( -1.497 -0.993 21.521) 21.596 15.711 ( -0.292 -3.487 -9.335) 9.969 20.758 ( -4.253 0.837 10.124) 11.013 21.138 ( -2.841 -5.453 -8.693) 10.648 23.053 ( 2.909 1.007 4.788) 5.692 23.150 ( 1.689 0.518 2.252) 2.862 23.258 ( 0.505 -0.656 0.871) 1.201 23.597 ( 5.905 4.342 -12.390) 14.396 ======================= Grid point 363 (117/150) ======================= q-point: ( 0.56 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 6.039 -2.033 16.377) 17.573 2.841 ( -1.892 -5.462 15.221) 16.282 3.190 ( 2.775 5.908 4.843) 8.128 3.280 ( -8.624 9.418 7.467) 14.793 3.842 ( 8.777 1.284 -1.051) 8.932 4.040 ( -6.954 4.590 1.628) 8.489 4.421 ( -1.717 -5.304 -1.758) 5.846 4.642 ( -12.287 -5.972 1.319) 13.725 4.810 ( 4.535 -2.880 -8.391) 9.963 4.874 ( 2.378 -2.118 -13.582) 13.950 5.194 ( -7.199 3.604 -12.119) 14.550 5.386 ( -3.235 -3.113 -14.884) 15.546 6.281 ( 16.772 -4.458 4.715) 17.983 6.361 ( 8.762 -1.893 1.084) 9.029 6.673 ( -1.222 5.184 6.322) 8.267 6.860 ( -4.438 -3.070 -2.986) 6.168 7.287 ( 4.320 -1.547 3.927) 6.040 7.371 ( 3.264 -0.619 1.225) 3.541 7.665 ( -7.960 -2.639 6.432) 10.568 7.803 ( -7.924 -2.335 -0.004) 8.261 8.328 ( -4.465 1.018 4.851) 6.671 8.504 ( -1.257 3.853 -4.250) 5.872 9.203 ( -1.421 7.416 2.887) 8.084 9.395 ( -0.540 10.150 -7.660) 12.728 10.772 ( 1.778 -5.015 7.150) 8.912 10.832 ( 2.409 -0.159 14.217) 14.421 11.067 ( 2.207 1.632 -4.786) 5.517 11.489 ( 1.315 1.715 -12.927) 13.107 15.114 ( -0.460 -1.381 22.554) 22.601 15.766 ( -0.123 -2.737 -10.306) 10.664 20.728 ( -1.987 -0.949 11.789) 11.993 21.220 ( -0.936 -5.835 -12.241) 13.593 23.061 ( 3.179 1.658 5.497) 6.563 23.157 ( 0.293 -0.056 2.326) 2.345 23.252 ( -1.121 0.680 -0.050) 1.312 23.544 ( 2.527 6.214 -10.949) 12.840 ======================= Grid point 364 (118/150) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 4.143 2.704 12.354) 13.308 2.893 ( -4.716 0.997 12.228) 13.143 3.085 ( 1.594 3.764 6.136) 7.373 3.144 ( -4.076 -4.011 9.339) 10.951 3.780 ( -2.526 7.284 10.201) 12.786 4.008 ( 4.093 -1.329 -3.762) 5.715 4.573 ( 0.887 -8.925 -9.186) 12.838 4.662 ( -6.723 -7.866 7.952) 13.050 4.895 ( 4.564 0.356 -17.298) 17.893 4.918 ( -0.955 -4.337 -10.545) 11.442 5.084 ( -5.290 -0.258 -6.862) 8.668 5.451 ( -0.982 -5.169 -14.396) 15.328 6.297 ( 9.214 16.344 8.620) 20.647 6.493 ( 15.518 4.295 0.211) 16.103 6.633 ( -5.775 -5.006 5.660) 9.510 6.858 ( -8.838 -5.919 -3.827) 11.304 7.298 ( 5.800 6.668 4.372) 9.860 7.418 ( 4.129 1.499 0.581) 4.431 7.593 ( -10.763 -1.981 7.442) 13.234 7.818 ( -2.920 -6.052 -1.840) 6.967 8.345 ( -1.042 -5.601 4.888) 7.507 8.497 ( 0.251 -3.725 -2.828) 4.684 9.105 ( -0.499 2.669 0.886) 2.856 9.252 ( 0.300 4.357 -8.188) 9.280 10.793 ( 1.110 3.897 17.020) 17.496 10.881 ( -0.375 -3.554 4.095) 5.435 11.062 ( 1.665 1.178 -4.811) 5.226 11.434 ( -0.475 4.880 -12.743) 13.654 15.134 ( -0.050 -0.988 22.642) 22.663 15.802 ( 0.026 -1.314 -10.991) 11.069 20.746 ( -0.525 -2.346 13.025) 13.245 21.321 ( 0.438 -5.574 -15.045) 16.050 23.056 ( 2.575 2.318 6.266) 7.160 23.151 ( -1.769 0.065 2.378) 2.964 23.225 ( -0.339 1.039 -1.649) 1.979 23.436 ( 0.087 7.168 -9.331) 11.767 ======================= Grid point 365 (119/150) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 0.000 7.184 14.941) 16.578 2.752 ( 0.000 5.112 14.122) 15.019 3.134 ( -0.000 -5.646 0.262) 5.652 3.215 ( -0.000 -1.818 -0.576) 1.907 3.658 ( 0.000 3.766 9.288) 10.023 4.080 ( -0.000 -3.593 -2.575) 4.421 4.662 ( -0.000 -2.457 -8.084) 8.449 4.668 ( 0.000 6.465 2.411) 6.900 4.975 ( -0.000 -1.858 -13.699) 13.824 5.051 ( -0.000 -14.672 -16.075) 21.764 5.143 ( -0.000 -9.977 9.800) 13.985 5.469 ( 0.000 3.545 -2.114) 4.128 6.117 ( 0.000 5.739 3.780) 6.872 6.434 ( 0.000 8.499 -6.750) 10.853 6.671 ( -0.000 -1.661 4.876) 5.151 6.906 ( -0.000 -2.757 -3.917) 4.790 7.188 ( 0.000 7.322 4.528) 8.609 7.383 ( 0.000 2.974 -2.817) 4.096 7.588 ( -0.000 -2.664 9.998) 10.347 7.901 ( -0.000 -2.994 -3.727) 4.781 8.472 ( -0.000 -8.030 5.704) 9.849 8.609 ( -0.000 -7.571 -1.235) 7.671 9.103 ( -0.000 -3.732 1.930) 4.202 9.281 ( -0.000 -7.066 -8.133) 10.773 10.706 ( 0.000 5.925 17.279) 18.266 10.913 ( -0.000 -0.249 2.034) 2.049 11.047 ( 0.000 2.097 -4.158) 4.657 11.316 ( 0.000 7.493 -12.276) 14.382 15.148 ( -0.000 -0.732 21.966) 21.979 15.811 ( 0.000 0.341 -11.395) 11.400 20.796 ( -0.000 -3.502 13.675) 14.117 21.415 ( -0.000 -4.258 -16.681) 17.216 23.026 ( 0.000 2.432 5.727) 6.222 23.130 ( 0.000 0.725 1.765) 1.908 23.212 ( 0.000 0.713 -1.893) 2.023 23.304 ( 0.000 7.138 -7.530) 10.376 ======================= Grid point 370 (120/150) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 3.172 0.000 19.470) 19.727 2.802 ( 9.383 0.000 15.358) 17.997 3.181 ( 4.963 0.000 -1.948) 5.331 3.636 ( 3.327 0.000 -13.027) 13.445 3.939 ( 0.498 0.000 0.210) 0.540 4.200 ( -8.809 -0.000 4.573) 9.925 4.294 ( 7.862 0.000 -4.312) 8.967 4.535 ( 16.298 0.000 -6.594) 17.582 4.742 ( -8.294 -0.000 2.593) 8.690 4.890 ( -2.691 -0.000 -5.249) 5.899 5.326 ( -11.772 -0.000 -3.893) 12.399 5.454 ( -11.087 -0.000 -2.910) 11.462 6.013 ( 2.252 0.000 -4.783) 5.286 6.024 ( -7.141 -0.000 -3.855) 8.115 6.693 ( -3.499 -0.000 6.039) 6.979 6.891 ( 3.727 0.000 -4.404) 5.769 7.144 ( -0.411 -0.000 0.320) 0.521 7.279 ( 1.133 0.000 -4.105) 4.258 7.722 ( -5.984 -0.000 4.639) 7.572 7.768 ( -1.723 -0.000 3.844) 4.213 8.577 ( -2.444 -0.000 5.141) 5.692 8.750 ( -2.599 -0.000 -3.495) 4.356 9.638 ( -6.597 -0.000 3.038) 7.263 9.709 ( -5.217 -0.000 -1.991) 5.584 10.496 ( 4.192 0.000 13.938) 14.555 10.821 ( 4.204 0.000 16.872) 17.388 11.081 ( 8.057 0.000 -13.104) 15.383 11.437 ( 5.571 0.000 -13.006) 14.149 15.084 ( -2.875 -0.000 20.042) 20.247 15.628 ( -0.039 -0.000 -7.520) 7.520 20.796 ( -7.101 -0.000 7.282) 10.171 21.010 ( -2.048 -0.000 -3.963) 4.461 23.067 ( 2.431 0.000 4.449) 5.070 23.188 ( 1.496 0.000 8.369) 8.502 23.221 ( 2.946 0.000 -3.243) 4.381 23.681 ( 7.530 0.000 -15.036) 16.816 ======================= Grid point 371 (121/150) ======================= q-point: ( 0.44 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 0.605 -0.008 19.291) 19.300 2.879 ( 11.922 3.504 16.537) 20.686 3.278 ( 7.422 -1.933 1.363) 7.790 3.576 ( -8.228 5.148 5.803) 11.308 3.874 ( -2.833 0.838 -14.925) 15.214 4.128 ( 4.149 4.547 2.821) 6.771 4.376 ( -7.643 -3.744 -6.677) 10.817 4.633 ( 1.994 2.385 3.886) 4.977 4.730 ( 1.962 -0.618 -5.952) 6.298 4.834 ( 2.396 2.238 -6.743) 7.498 5.228 ( -4.775 -1.402 -7.626) 9.106 5.366 ( -9.911 -0.130 -10.447) 14.401 6.011 ( 2.954 -5.245 1.602) 6.229 6.115 ( 2.555 -6.125 -2.783) 7.197 6.695 ( -4.885 -4.618 5.695) 8.810 6.869 ( 0.406 2.484 -2.682) 3.678 7.189 ( 2.949 -2.931 2.094) 4.655 7.336 ( 5.553 -1.251 -3.479) 6.671 7.635 ( -7.834 1.018 5.178) 9.446 7.732 ( -5.927 -0.338 1.540) 6.134 8.508 ( -2.626 5.108 5.361) 7.857 8.693 ( -1.646 3.879 -3.898) 5.740 9.507 ( -4.111 7.134 4.630) 9.446 9.656 ( -2.796 2.278 -3.958) 5.355 10.569 ( 2.870 -3.687 13.022) 13.835 10.851 ( 3.446 0.479 16.830) 17.186 11.137 ( 5.202 1.808 -12.083) 13.279 11.490 ( 3.142 -0.755 -12.928) 13.326 15.067 ( -1.568 -0.849 21.449) 21.523 15.652 ( -0.075 -2.573 -8.217) 8.611 20.728 ( -4.052 0.669 8.704) 9.624 21.029 ( -1.630 -3.835 -6.421) 7.655 23.091 ( 2.343 0.093 4.494) 5.069 23.184 ( 1.150 1.306 7.635) 7.831 23.255 ( 1.185 -0.495 -1.447) 1.935 23.719 ( 4.632 2.878 -15.037) 15.995 ======================= Grid point 372 (122/150) ======================= q-point: ( 0.56 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 406 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( -0.556 -3.367 21.027) 21.302 2.918 ( 10.330 5.276 16.448) 20.126 3.264 ( -8.585 6.010 15.244) 18.498 3.409 ( 2.249 5.757 -0.384) 6.193 3.889 ( -0.198 -1.856 -18.083) 18.179 4.087 ( 3.964 4.907 -2.543) 6.801 4.304 ( -8.902 -3.209 4.553) 10.501 4.533 ( -4.135 5.559 7.079) 9.905 4.770 ( 1.171 -4.751 -7.040) 8.574 4.922 ( 9.735 -0.465 -13.647) 16.770 5.154 ( -10.539 1.955 -12.682) 16.605 5.319 ( -1.608 -1.717 -17.112) 17.273 6.249 ( 5.622 -12.981 3.616) 14.601 6.284 ( 6.216 -8.646 0.902) 10.687 6.714 ( -5.819 -2.967 5.013) 8.234 6.841 ( 1.347 3.448 -0.205) 3.708 7.294 ( 6.167 -3.535 4.501) 8.414 7.402 ( 4.683 0.410 1.710) 5.002 7.555 ( -6.533 -1.283 2.468) 7.101 7.671 ( -8.474 -1.603 -0.482) 8.638 8.366 ( -2.223 6.660 6.029) 9.255 8.588 ( -0.694 6.040 -4.986) 7.863 9.333 ( -1.637 8.573 5.156) 10.137 9.552 ( -0.788 7.418 -6.517) 9.906 10.677 ( 1.160 -5.937 10.015) 11.700 10.873 ( 2.146 0.599 17.438) 17.579 11.127 ( 1.873 2.894 -10.089) 10.662 11.519 ( 1.085 0.206 -12.941) 12.988 15.081 ( -0.479 -1.685 22.449) 22.517 15.708 ( -0.068 -3.452 -9.275) 9.896 20.697 ( -1.553 -0.379 10.341) 10.464 21.104 ( -0.750 -5.813 -9.673) 11.310 23.112 ( 2.382 0.209 4.475) 5.074 23.167 ( -0.162 1.402 8.160) 8.282 23.257 ( -0.232 0.614 -1.998) 2.103 23.676 ( 1.887 5.542 -13.893) 15.076 ======================= Grid point 373 (123/150) ======================= q-point: ( 0.67 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -0.000 -7.631 19.349) 20.799 2.894 ( 0.000 3.410 13.945) 14.356 3.082 ( 0.000 5.700 15.800) 16.797 3.281 ( 0.000 10.490 0.815) 10.521 3.875 ( 0.000 3.299 -0.259) 3.310 4.043 ( 0.000 2.747 -12.880) 13.170 4.401 ( -0.000 -11.682 15.989) 19.802 4.467 ( -0.000 -2.598 -3.729) 4.545 4.861 ( -0.000 -3.850 -8.418) 9.256 4.995 ( 0.000 4.740 -18.607) 19.201 5.027 ( -0.000 -1.379 -10.631) 10.720 5.359 ( -0.000 -3.837 -18.007) 18.411 6.447 ( -0.000 -8.845 4.131) 9.763 6.576 ( -0.000 -13.892 -0.772) 13.913 6.637 ( 0.000 10.827 6.518) 12.638 6.732 ( 0.000 6.458 2.328) 6.864 7.403 ( -0.000 -0.746 4.558) 4.618 7.423 ( -0.000 -3.131 8.686) 9.233 7.526 ( 0.000 2.383 -0.635) 2.467 7.677 ( -0.000 -5.930 -1.902) 6.228 8.283 ( 0.000 0.328 5.517) 5.527 8.493 ( 0.000 3.227 -4.889) 5.858 9.186 ( 0.000 6.659 3.106) 7.348 9.390 ( 0.000 9.569 -7.920) 12.421 10.792 ( -0.000 -5.914 6.485) 8.777 10.860 ( 0.000 2.351 18.073) 18.225 11.093 ( 0.000 1.728 -7.588) 7.782 11.500 ( 0.000 2.530 -12.966) 13.210 15.110 ( -0.000 -1.626 22.798) 22.855 15.765 ( -0.000 -2.797 -10.247) 10.622 20.707 ( -0.000 -1.537 11.854) 11.953 21.212 ( -0.000 -6.499 -12.787) 14.343 23.122 ( 0.000 2.639 9.322) 9.688 23.134 ( -0.000 -0.361 2.472) 2.499 23.240 ( 0.000 0.920 -2.287) 2.465 23.569 ( 0.000 7.186 -12.049) 14.029 ======================= Grid point 381 (124/150) ======================= q-point: ( 0.44 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 0.097 0.000 18.117) 18.117 3.071 ( 16.810 0.000 16.927) 23.856 3.332 ( 6.941 0.000 6.333) 9.396 3.463 ( -19.509 -0.000 16.000) 25.231 3.873 ( 1.092 0.000 -26.428) 26.451 4.220 ( 2.791 0.000 7.441) 7.947 4.277 ( -6.517 -0.000 -14.988) 16.344 4.651 ( 1.299 0.000 -4.224) 4.419 4.852 ( 12.819 0.000 -6.454) 14.352 4.864 ( -0.807 -0.000 1.319) 1.546 5.111 ( -10.682 -0.000 -4.387) 11.547 5.291 ( -4.201 -0.000 -14.496) 15.093 5.969 ( 0.468 0.000 2.651) 2.692 6.089 ( 3.461 0.000 -2.623) 4.343 6.601 ( -3.848 -0.000 6.810) 7.822 6.858 ( -3.516 -0.000 -4.255) 5.520 7.196 ( 3.976 0.000 4.116) 5.722 7.405 ( 8.083 0.000 -4.819) 9.411 7.566 ( -6.896 -0.000 4.409) 8.185 7.673 ( -6.221 -0.000 1.173) 6.330 8.545 ( -0.775 -0.000 5.063) 5.122 8.715 ( -0.830 -0.000 -3.500) 3.597 9.551 ( -1.998 -0.000 3.495) 4.025 9.635 ( -1.890 -0.000 -2.322) 2.994 10.564 ( 1.915 0.000 15.170) 15.291 10.876 ( 1.303 0.000 17.856) 17.904 11.205 ( 3.425 0.000 -14.486) 14.885 11.508 ( 1.554 0.000 -12.747) 12.842 15.046 ( -0.887 -0.000 21.732) 21.750 15.628 ( 0.008 0.000 -7.826) 7.826 20.701 ( -2.265 -0.000 8.315) 8.618 20.981 ( -0.699 -0.000 -5.915) 5.956 23.109 ( 1.293 0.000 3.920) 4.128 23.203 ( 0.156 0.000 11.567) 11.568 23.265 ( 1.185 0.000 -3.516) 3.710 23.782 ( 2.388 0.000 -15.947) 16.125 ======================= Grid point 382 (125/150) ======================= q-point: ( 0.56 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 230 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 0.000 0.464 19.498) 19.504 3.143 ( 0.000 9.129 14.754) 17.349 3.247 ( 0.000 1.062 21.844) 21.869 3.444 ( -0.000 -3.336 3.606) 4.913 3.875 ( 0.000 0.422 -27.083) 27.086 4.204 ( 0.000 3.562 -16.800) 17.173 4.219 ( 0.000 0.872 11.238) 11.272 4.683 ( 0.000 11.746 8.662) 14.595 4.694 ( -0.000 -3.647 -6.637) 7.573 5.010 ( 0.000 0.619 -11.160) 11.177 5.056 ( -0.000 -3.767 -8.107) 8.939 5.283 ( -0.000 -1.358 -17.447) 17.500 6.060 ( -0.000 -9.542 4.481) 10.541 6.172 ( -0.000 -6.602 -1.250) 6.720 6.612 ( -0.000 -3.372 6.761) 7.556 6.856 ( -0.000 -1.436 -3.511) 3.793 7.256 ( -0.000 -3.762 5.608) 6.753 7.480 ( -0.000 -2.402 -4.318) 4.941 7.489 ( 0.000 3.745 4.462) 5.826 7.620 ( 0.000 1.042 0.326) 1.092 8.481 ( 0.000 6.186 5.632) 8.366 8.677 ( 0.000 3.795 -4.142) 5.617 9.464 ( 0.000 6.925 4.920) 8.495 9.627 ( 0.000 1.548 -4.296) 4.566 10.601 ( -0.000 -3.157 13.885) 14.240 10.886 ( -0.000 -0.223 18.012) 18.013 11.195 ( 0.000 2.865 -13.650) 13.948 11.521 ( -0.000 -0.470 -12.750) 12.759 15.052 ( -0.000 -1.127 22.151) 22.180 15.652 ( -0.000 -2.509 -8.297) 8.668 20.687 ( 0.000 0.169 9.018) 9.019 21.012 ( -0.000 -3.711 -7.248) 8.143 23.119 ( -0.000 -0.330 3.469) 3.484 23.193 ( 0.000 1.142 11.849) 11.904 23.267 ( 0.000 0.468 -3.360) 3.393 23.765 ( 0.000 3.166 -15.508) 15.827 ======================= Grid point 425 (126/150) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 0.000 0.000 -21.818) 21.818 2.925 ( 0.000 0.000 21.818) 21.818 3.130 ( 0.000 0.000 -16.306) 16.306 3.130 ( 0.000 0.000 16.306) 16.306 3.348 ( 0.000 0.000 -1.251) 1.251 3.348 ( 0.000 0.000 1.251) 1.251 4.022 ( 0.000 0.000 -7.929) 7.929 4.022 ( 0.000 0.000 7.929) 7.929 5.549 ( 0.000 0.000 -26.426) 26.426 5.549 ( 0.000 0.000 26.426) 26.426 5.738 ( 0.000 0.000 -3.840) 3.840 5.738 ( 0.000 0.000 3.840) 3.840 6.515 ( 0.000 0.000 -10.449) 10.449 6.515 ( 0.000 0.000 10.449) 10.449 6.628 ( 0.000 0.000 -15.102) 15.102 6.628 ( 0.000 0.000 15.102) 15.102 7.414 ( 0.000 0.000 -1.639) 1.639 7.414 ( 0.000 0.000 1.639) 1.639 7.462 ( 0.000 0.000 -3.558) 3.558 7.462 ( 0.000 0.000 3.558) 3.558 8.832 ( 0.000 0.000 -4.092) 4.092 8.832 ( 0.000 0.000 4.092) 4.092 10.170 ( 0.000 0.000 -2.844) 2.844 10.170 ( 0.000 0.000 2.844) 2.844 10.533 ( 0.000 0.000 -8.921) 8.921 10.533 ( 0.000 0.000 8.921) 8.921 10.677 ( 0.000 0.000 -12.240) 12.240 10.677 ( 0.000 0.000 12.240) 12.240 15.487 ( 0.000 0.000 -8.537) 8.537 15.487 ( 0.000 0.000 8.537) 8.537 21.265 ( 0.000 0.000 -6.610) 6.610 21.265 ( 0.000 0.000 6.610) 6.610 22.974 ( 0.000 0.000 -0.427) 0.427 22.974 ( 0.000 0.000 0.427) 0.427 23.088 ( 0.000 0.000 -2.603) 2.603 23.088 ( 0.000 0.000 2.603) 2.603 ======================= Grid point 427 (127/150) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -0.647 0.050 -17.530) 17.542 2.919 ( -0.647 0.050 17.530) 17.542 3.086 ( -2.579 1.045 -16.492) 16.726 3.086 ( -2.579 1.045 16.492) 16.726 3.467 ( 9.169 -5.217 -4.303) 11.394 3.467 ( 9.169 -5.217 4.303) 11.394 4.141 ( 2.836 -10.997 -11.221) 15.965 4.141 ( 2.836 -10.997 11.221) 15.965 5.507 ( -7.491 1.205 -20.049) 21.436 5.507 ( -7.491 1.205 20.049) 21.436 5.667 ( 1.338 7.907 -9.704) 12.589 5.667 ( 1.338 7.907 9.704) 12.589 6.428 ( -11.048 7.692 -9.061) 16.227 6.428 ( -11.048 7.692 9.061) 16.227 6.577 ( 3.032 0.278 -5.977) 6.708 6.577 ( 3.032 0.278 5.977) 6.708 7.382 ( -1.392 1.420 -2.670) 3.329 7.382 ( -1.392 1.420 2.670) 3.329 7.575 ( 6.328 -5.593 -3.924) 9.312 7.575 ( 6.328 -5.593 3.924) 9.312 8.820 ( -1.353 0.844 -4.003) 4.309 8.820 ( -1.353 0.844 4.003) 4.309 9.961 ( -3.901 15.648 -1.251) 16.175 9.961 ( -3.901 15.648 1.251) 16.175 10.627 ( -3.027 -6.745 -2.861) 7.927 10.627 ( -3.027 -6.745 2.861) 7.927 10.766 ( 8.318 -5.223 -9.606) 13.738 10.766 ( 8.318 -5.223 9.606) 13.738 15.490 ( -0.588 -0.651 -10.358) 10.396 15.490 ( -0.588 -0.651 10.358) 10.396 21.231 ( -3.390 1.499 -8.334) 9.121 21.231 ( -3.390 1.499 8.334) 9.121 22.996 ( 1.896 -0.938 -1.459) 2.570 22.996 ( 1.896 -0.938 1.459) 2.570 23.112 ( 2.532 -1.403 -2.570) 3.870 23.112 ( 2.532 -1.403 2.570) 3.870 ======================= Grid point 429 (128/150) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( -1.589 -0.707 -13.995) 14.102 2.913 ( -1.589 -0.707 13.995) 14.102 3.082 ( 2.854 -0.749 -10.544) 10.949 3.082 ( 2.854 -0.749 10.544) 10.949 3.666 ( 7.688 -6.950 -7.407) 12.739 3.666 ( 7.688 -6.950 7.407) 12.739 4.415 ( 4.135 -13.495 -12.020) 18.539 4.415 ( 4.135 -13.495 12.020) 18.539 5.288 ( -9.797 12.914 -11.985) 20.159 5.288 ( -9.797 12.914 11.985) 20.159 5.581 ( -0.990 0.917 -18.786) 18.834 5.581 ( -0.990 0.917 18.786) 18.834 6.123 ( -9.696 11.747 -7.684) 17.060 6.123 ( -9.696 11.747 7.684) 17.060 6.671 ( 2.229 -6.623 -4.451) 8.285 6.671 ( 2.229 -6.623 4.451) 8.285 7.328 ( 0.067 3.796 -5.546) 6.722 7.328 ( 0.067 3.796 5.546) 6.722 7.737 ( 4.806 -5.515 -5.620) 9.224 7.737 ( 4.806 -5.515 5.620) 9.224 8.760 ( -3.262 3.532 -3.512) 5.954 8.760 ( -3.262 3.532 3.512) 5.954 9.626 ( -2.877 17.083 -3.995) 17.778 9.626 ( -2.877 17.083 3.995) 17.778 10.711 ( -2.122 -6.426 -3.654) 7.691 10.711 ( -2.122 -6.426 3.654) 7.691 10.952 ( 7.571 -5.146 -9.242) 13.009 10.952 ( 7.571 -5.146 9.242) 13.009 15.499 ( -0.686 -1.193 -13.345) 13.416 15.499 ( -0.686 -1.193 13.345) 13.416 21.158 ( -4.456 1.736 -10.977) 11.973 21.158 ( -4.456 1.736 10.977) 11.973 23.030 ( 1.104 -0.924 -2.758) 3.111 23.030 ( 1.104 -0.924 2.758) 3.111 23.184 ( 4.854 -1.958 -2.552) 5.823 23.184 ( 4.854 -1.958 2.552) 5.823 ======================= Grid point 431 (129/150) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.916 ( -1.018 -1.147 -12.492) 12.586 2.916 ( -1.018 -1.147 12.492) 12.586 3.156 ( 5.305 -2.045 -5.962) 8.238 3.156 ( 5.305 -2.045 5.962) 8.238 3.858 ( 4.838 -7.042 -9.909) 13.083 3.858 ( 4.838 -7.042 9.909) 13.083 4.623 ( 0.115 -5.423 -7.559) 9.304 4.623 ( 0.115 -5.423 7.559) 9.304 4.946 ( -7.008 12.678 -13.743) 19.967 4.946 ( -7.008 12.678 13.743) 19.967 5.551 ( -4.977 2.173 -6.603) 8.549 5.551 ( -4.977 2.173 6.603) 8.549 5.916 ( -1.254 1.970 -7.211) 7.580 5.916 ( -1.254 1.970 7.211) 7.580 6.817 ( -0.223 -7.197 -4.521) 8.502 6.817 ( -0.223 -7.197 4.521) 8.502 7.268 ( 1.908 3.196 -7.111) 8.026 7.268 ( 1.908 3.196 7.111) 8.026 7.856 ( 3.069 -3.226 -5.109) 6.777 7.856 ( 3.069 -3.226 5.109) 6.777 8.633 ( -4.615 5.579 -2.859) 7.785 8.633 ( -4.615 5.579 2.859) 7.785 9.324 ( -1.371 13.583 -4.484) 14.369 9.324 ( -1.371 13.583 4.484) 14.369 10.809 ( -0.983 -5.898 -3.707) 7.035 10.809 ( -0.983 -5.898 3.707) 7.035 11.086 ( 5.034 -2.566 -11.484) 12.799 11.086 ( 5.034 -2.566 11.484) 12.799 15.516 ( -0.418 -1.205 -15.288) 15.341 15.516 ( -0.418 -1.205 15.288) 15.341 21.091 ( -3.398 1.126 -12.675) 13.170 21.091 ( -3.398 1.126 12.675) 13.170 23.052 ( 0.444 -0.711 -3.552) 3.650 23.052 ( 0.444 -0.711 3.552) 3.650 23.263 ( 4.198 -1.302 -2.849) 5.237 23.263 ( 4.198 -1.302 2.849) 5.237 ======================= Grid point 433 (130/150) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( -0.190 -0.711 -8.407) 8.439 2.929 ( -0.190 -0.711 8.407) 8.439 3.233 ( 2.765 -1.103 -3.821) 4.843 3.233 ( 2.765 -1.104 3.821) 4.843 3.992 ( 1.605 -3.420 -6.427) 7.455 3.992 ( 1.605 -3.420 6.427) 7.455 4.579 ( -2.978 3.969 -7.781) 9.229 4.579 ( -2.978 3.969 7.781) 9.229 4.806 ( -0.651 0.785 -4.757) 4.865 4.806 ( -0.651 0.785 4.757) 4.865 5.426 ( -3.316 3.453 -1.412) 4.991 5.426 ( -3.316 3.453 1.412) 4.991 5.975 ( 1.929 -3.270 -5.601) 6.767 5.975 ( 1.929 -3.270 5.601) 6.767 6.885 ( -1.585 -1.833 -4.289) 4.926 6.885 ( -1.585 -1.833 4.289) 4.926 7.271 ( 2.053 -0.300 -5.502) 5.880 7.271 ( 2.053 -0.300 5.502) 5.880 7.915 ( 1.344 -0.887 -2.110) 2.654 7.915 ( 1.344 -0.887 2.110) 2.654 8.504 ( -2.732 3.238 -1.514) 4.499 8.504 ( -2.732 3.238 1.514) 4.499 9.143 ( -0.290 5.236 -2.635) 5.869 9.143 ( -0.290 5.236 2.635) 5.869 10.882 ( -0.296 -2.518 -2.695) 3.700 10.882 ( -0.296 -2.518 2.695) 3.700 11.148 ( 1.796 -0.604 -13.327) 13.461 11.148 ( 1.796 -0.604 13.327) 13.461 15.529 ( -0.124 -0.509 -16.060) 16.069 15.529 ( -0.124 -0.509 16.060) 16.069 21.053 ( -1.239 0.364 -13.401) 13.463 21.053 ( -1.239 0.364 13.401) 13.463 23.064 ( 0.122 -0.274 -3.946) 3.957 23.064 ( 0.122 -0.274 3.946) 3.957 23.309 ( 1.591 -0.415 -2.970) 3.395 23.309 ( 1.591 -0.415 2.970) 3.395 ======================= Grid point 445 (131/150) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.907 ( -1.820 -0.000 -13.729) 13.849 2.907 ( -1.820 -0.000 13.729) 13.849 3.061 ( -1.249 -0.000 -2.683) 2.959 3.061 ( -1.249 -0.000 2.683) 2.959 3.570 ( 15.879 0.000 -6.034) 16.987 3.570 ( 15.879 0.000 6.034) 16.987 4.076 ( 5.176 0.000 -8.589) 10.028 4.076 ( 5.176 0.000 8.589) 10.028 5.425 ( -10.328 -0.000 -15.976) 19.024 5.425 ( -10.328 -0.000 15.976) 19.024 5.731 ( -3.403 -0.000 -3.246) 4.703 5.731 ( -3.403 -0.000 3.246) 4.703 6.355 ( -13.495 -0.000 -11.510) 17.737 6.355 ( -13.495 -0.000 11.510) 17.737 6.612 ( 0.720 0.000 -9.218) 9.246 6.612 ( 0.720 0.000 9.218) 9.246 7.355 ( -2.808 -0.000 -2.395) 3.690 7.355 ( -2.808 -0.000 2.395) 3.690 7.628 ( 10.069 0.000 -0.593) 10.087 7.628 ( 10.069 0.000 0.593) 10.087 8.807 ( -2.358 -0.000 -4.091) 4.722 8.807 ( -2.358 -0.000 4.091) 4.722 10.037 ( -10.106 -0.000 -1.853) 10.275 10.037 ( -10.106 -0.000 1.853) 10.275 10.565 ( 3.198 0.000 -9.985) 10.485 10.565 ( 3.198 0.000 9.985) 10.485 10.807 ( 9.835 0.000 -12.827) 16.163 10.807 ( 9.835 0.000 12.827) 16.163 15.474 ( -1.195 -0.000 -9.431) 9.506 15.474 ( -1.195 -0.000 9.431) 9.506 21.192 ( -6.326 -0.000 -3.687) 7.322 21.192 ( -6.326 -0.000 3.687) 7.322 23.022 ( 3.531 0.000 -1.861) 3.991 23.022 ( 3.531 0.000 1.861) 3.991 23.135 ( 4.918 0.000 -3.612) 6.102 23.135 ( 4.918 0.000 3.612) 6.102 ======================= Grid point 447 (132/150) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -0.627 -0.168 -10.635) 10.655 2.894 ( -0.627 -0.168 10.635) 10.655 3.081 ( 2.191 -1.666 -11.943) 12.256 3.081 ( 2.191 -1.666 11.943) 12.256 3.722 ( 13.797 0.454 -9.164) 16.570 3.722 ( 13.797 0.454 9.164) 16.570 4.251 ( 7.535 -10.784 -10.584) 16.885 4.251 ( 7.535 -10.784 10.584) 16.885 5.285 ( -14.359 2.509 -10.240) 17.814 5.285 ( -14.359 2.509 10.240) 17.814 5.611 ( -6.851 5.576 -12.303) 15.146 5.611 ( -6.851 5.576 12.303) 15.146 6.182 ( -11.139 4.544 -6.894) 13.866 6.182 ( -11.139 4.544 6.895) 13.866 6.626 ( 3.544 -0.533 -4.311) 5.607 6.626 ( 3.544 -0.533 4.311) 5.607 7.345 ( -2.733 -1.264 -3.111) 4.330 7.345 ( -2.733 -1.264 3.111) 4.330 7.729 ( 6.827 -1.394 -2.521) 7.410 7.729 ( 6.827 -1.394 2.521) 7.410 8.765 ( -3.898 1.560 -3.875) 5.713 8.765 ( -3.898 1.560 3.875) 5.713 9.833 ( -7.488 10.515 -1.436) 12.988 9.833 ( -7.488 10.515 1.436) 12.988 10.628 ( 2.963 -2.678 -6.499) 7.628 10.628 ( 2.963 -2.678 6.499) 7.628 10.952 ( 8.951 -4.051 -11.724) 15.296 10.952 ( 8.951 -4.051 11.724) 15.296 15.469 ( -1.264 -0.972 -11.509) 11.618 15.469 ( -1.264 -0.972 11.509) 11.618 21.117 ( -6.856 0.402 -5.484) 8.789 21.117 ( -6.856 0.402 5.484) 8.789 23.051 ( 3.043 0.469 -2.616) 4.040 23.051 ( 3.043 0.469 2.616) 4.040 23.211 ( 6.446 -1.343 -4.802) 8.149 23.211 ( 6.446 -1.343 4.802) 8.149 ======================= Grid point 449 (133/150) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 1.228 -0.309 -12.214) 12.279 2.902 ( 1.228 -0.309 12.214) 12.279 3.159 ( 4.030 -3.038 -11.585) 12.636 3.159 ( 4.030 -3.038 11.585) 12.636 3.845 ( 8.818 -1.463 -7.726) 11.815 3.845 ( 8.818 -1.463 7.726) 11.815 4.513 ( 4.574 -8.976 -8.768) 13.356 4.513 ( 4.574 -8.976 8.768) 13.356 5.024 ( -15.536 8.066 -10.984) 20.666 5.024 ( -15.536 8.066 10.984) 20.666 5.468 ( -9.155 1.392 -12.793) 15.793 5.468 ( -9.155 1.392 12.793) 15.793 6.027 ( 0.936 4.573 -3.384) 5.765 6.027 ( 0.936 4.573 3.384) 5.765 6.707 ( 2.448 -4.322 -3.832) 6.274 6.707 ( 2.448 -4.322 3.832) 6.274 7.326 ( -0.932 1.066 -4.723) 4.930 7.326 ( -0.932 1.066 4.723) 4.930 7.816 ( 2.100 -3.200 -4.627) 6.005 7.816 ( 2.100 -3.200 4.627) 6.005 8.663 ( -5.870 4.253 -3.244) 7.942 8.663 ( -5.870 4.253 3.244) 7.942 9.555 ( -3.778 13.618 -3.997) 14.686 9.555 ( -3.778 13.618 3.997) 14.686 10.720 ( 2.847 -4.315 -3.676) 6.343 10.720 ( 2.847 -4.315 3.676) 6.343 11.095 ( 6.033 -2.874 -11.894) 13.643 11.095 ( 6.033 -2.874 11.894) 13.643 15.483 ( -0.823 -1.707 -14.032) 14.159 15.483 ( -0.823 -1.707 14.032) 14.159 21.051 ( -5.407 -0.273 -9.142) 10.625 21.051 ( -5.407 -0.273 9.142) 10.625 23.071 ( 2.777 0.630 -2.982) 4.124 23.071 ( 2.777 0.630 2.982) 4.124 23.291 ( 4.986 -0.695 -5.276) 7.293 23.291 ( 4.986 -0.695 5.276) 7.293 ======================= Grid point 451 (134/150) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.928 ( 2.438 -0.334 -10.379) 10.667 2.928 ( 2.438 -0.334 10.379) 10.667 3.241 ( 2.542 -1.407 -9.576) 10.007 3.241 ( 2.542 -1.407 9.576) 10.007 3.945 ( 2.438 -2.821 -10.582) 11.220 3.945 ( 2.438 -2.821 10.582) 11.220 4.596 ( -3.058 0.979 -4.585) 5.598 4.596 ( -3.058 0.979 4.585) 5.598 4.800 ( -5.529 1.894 -11.377) 12.791 4.800 ( -5.529 1.894 11.377) 12.791 5.345 ( -11.759 -0.207 -6.149) 13.271 5.345 ( -11.759 -0.207 6.149) 13.271 6.070 ( 12.859 0.517 -5.961) 14.183 6.070 ( 12.859 0.517 5.961) 14.183 6.798 ( -0.577 -4.236 -4.800) 6.428 6.798 ( -0.577 -4.236 4.800) 6.428 7.308 ( 1.426 0.904 -4.504) 4.810 7.308 ( 1.426 0.904 4.504) 4.810 7.877 ( -1.613 -2.975 -4.025) 5.258 7.877 ( -1.613 -2.975 4.025) 5.258 8.517 ( -6.096 4.026 -2.508) 7.724 8.517 ( -6.096 4.026 2.508) 7.724 9.298 ( -1.260 11.672 -4.199) 12.468 9.298 ( -1.260 11.672 4.199) 12.468 10.828 ( 2.596 -4.155 -2.664) 5.577 10.828 ( 2.596 -4.155 2.664) 5.577 11.168 ( 2.873 -0.210 -13.115) 13.428 11.168 ( 2.873 -0.210 13.115) 13.428 15.508 ( -0.329 -1.603 -15.534) 15.620 15.508 ( -0.329 -1.603 15.534) 15.620 21.021 ( -3.106 -1.278 -11.747) 12.218 21.021 ( -3.106 -1.278 11.747) 12.218 23.086 ( 2.659 0.858 -3.473) 4.458 23.086 ( 2.659 0.858 3.473) 4.458 23.328 ( 1.973 0.612 -4.984) 5.395 23.328 ( 1.973 0.612 4.984) 5.395 ======================= Grid point 453 (135/150) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 2.584 0.638 -7.689) 8.137 2.953 ( 2.584 0.638 7.689) 8.137 3.235 ( -2.539 2.160 -6.337) 7.160 3.235 ( -2.539 2.160 6.337) 7.160 3.991 ( -1.766 -1.905 -7.766) 8.189 3.991 ( -1.766 -1.905 7.766) 8.189 4.547 ( 0.116 -0.532 -9.400) 9.416 4.547 ( 0.116 -0.532 9.400) 9.416 4.785 ( -1.033 -1.437 -0.367) 1.807 4.785 ( -1.033 -1.437 0.367) 1.807 5.289 ( -7.764 -6.001 -7.527) 12.367 5.289 ( -7.764 -6.001 7.527) 12.367 6.160 ( 13.518 6.856 -1.457) 15.227 6.160 ( 13.518 6.856 1.457) 15.227 6.852 ( -2.202 -3.990 -5.512) 7.152 6.852 ( -2.202 -3.990 5.512) 7.152 7.305 ( 1.967 2.571 -4.250) 5.342 7.305 ( 1.967 2.571 4.250) 5.342 7.879 ( -5.049 -1.288 -2.180) 5.648 7.879 ( -5.049 -1.288 2.180) 5.648 8.452 ( -1.885 -2.424 -2.113) 3.728 8.452 ( -1.885 -2.424 2.113) 3.728 9.141 ( -0.042 4.553 -2.532) 5.210 9.141 ( -0.042 4.553 2.532) 5.210 10.905 ( 2.328 -1.372 -2.654) 3.787 10.905 ( 2.328 -1.372 2.654) 3.787 11.163 ( -0.250 2.150 -13.943) 14.110 11.163 ( -0.250 2.150 13.943) 14.110 15.528 ( -0.027 -0.741 -16.118) 16.135 15.528 ( -0.027 -0.741 16.118) 16.135 21.033 ( -0.749 -2.131 -13.481) 13.669 21.033 ( -0.749 -2.131 13.481) 13.669 23.093 ( 2.622 1.350 -3.964) 4.941 23.093 ( 2.622 1.350 3.964) 4.941 23.311 ( -1.337 1.597 -4.218) 4.705 23.311 ( -1.337 1.597 4.218) 4.705 ======================= Grid point 455 (136/150) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.958 ( 2.543 1.538 -10.005) 10.437 2.958 ( 2.543 1.538 10.005) 10.437 3.139 ( -5.611 2.849 -9.674) 11.541 3.139 ( -5.611 2.849 9.674) 11.541 3.946 ( -2.304 5.218 -10.518) 11.965 3.946 ( -2.304 5.218 10.518) 11.965 4.655 ( 4.201 -6.565 -6.503) 10.151 4.655 ( 4.201 -6.565 6.503) 10.151 4.798 ( -1.625 -3.247 -5.512) 6.600 4.798 ( -1.625 -3.247 5.512) 6.600 5.400 ( -3.614 -11.460 -7.965) 14.416 5.400 ( -3.614 -11.460 7.965) 14.416 6.102 ( 11.243 11.664 -8.823) 18.447 6.102 ( 11.243 11.664 8.823) 18.447 6.875 ( -4.027 -0.366 -5.805) 7.075 6.875 ( -4.027 -0.366 5.805) 7.075 7.254 ( 1.790 3.380 -6.783) 7.787 7.254 ( 1.790 3.380 6.783) 7.787 7.843 ( -4.834 -0.500 -5.209) 7.124 7.843 ( -4.834 -0.500 5.209) 7.124 8.549 ( 1.508 -7.250 -3.078) 8.020 8.549 ( 1.508 -7.250 3.078) 8.020 9.153 ( 0.543 -5.836 -3.481) 6.817 9.153 ( 0.543 -5.836 3.481) 6.817 10.917 ( 2.881 3.036 -4.395) 6.069 10.917 ( 2.881 3.036 4.395) 6.069 11.093 ( -3.380 3.508 -12.991) 13.874 11.093 ( -3.380 3.508 12.991) 13.874 15.532 ( 0.134 0.280 -16.048) 16.051 15.532 ( 0.134 0.280 16.048) 16.051 21.078 ( 1.042 -2.735 -14.458) 14.751 21.078 ( 1.042 -2.735 14.458) 14.751 23.090 ( 2.592 2.096 -4.333) 5.467 23.090 ( 2.592 2.096 4.333) 5.467 23.250 ( -3.866 1.975 -3.259) 5.429 23.250 ( -3.866 1.975 3.259) 5.429 ======================= Grid point 457 (137/150) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 2.470 1.859 -12.911) 13.276 2.956 ( 2.470 1.859 12.911) 13.276 3.051 ( -4.213 0.423 -12.116) 12.835 3.051 ( -4.213 0.423 12.116) 12.835 3.780 ( -2.287 9.917 -13.973) 17.286 3.780 ( -2.287 9.917 13.973) 17.286 4.613 ( -0.435 10.429 -11.131) 15.259 4.613 ( -0.435 10.429 11.131) 15.259 5.049 ( 2.736 -19.255 -14.500) 24.259 5.049 ( 2.736 -19.255 14.500) 24.259 5.539 ( -2.156 -5.508 -10.041) 11.653 5.539 ( -2.156 -5.508 10.041) 11.653 6.086 ( 9.012 -0.634 -8.037) 12.091 6.086 ( 9.012 -0.634 8.037) 12.091 6.763 ( -4.374 6.496 -5.739) 9.709 6.763 ( -4.374 6.496 5.739) 9.709 7.269 ( 1.566 -2.391 -6.652) 7.241 7.269 ( 1.566 -2.391 6.652) 7.241 7.782 ( -3.005 3.204 -7.198) 8.433 7.782 ( -3.005 3.204 7.198) 8.433 8.695 ( 1.440 -6.580 -3.309) 7.505 8.695 ( 1.440 -6.580 3.309) 7.505 9.349 ( 0.785 -14.708 -4.918) 15.528 9.349 ( 0.785 -14.708 4.918) 15.528 10.865 ( 4.285 6.388 -7.459) 10.715 10.865 ( 4.285 6.388 7.459) 10.715 10.973 ( -5.703 4.753 -8.961) 11.637 10.973 ( -5.703 4.753 8.961) 11.637 15.523 ( 0.199 0.894 -15.141) 15.168 15.523 ( 0.199 0.894 15.141) 15.168 21.145 ( 1.548 -3.067 -14.375) 14.780 21.145 ( 1.548 -3.067 14.375) 14.780 23.068 ( 1.681 2.946 -4.327) 5.498 23.068 ( 1.681 2.946 4.327) 5.498 23.174 ( -3.693 1.736 -2.378) 4.723 23.174 ( -3.693 1.736 2.378) 4.723 ======================= Grid point 459 (138/150) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 0.000 1.451 -14.360) 14.433 2.933 ( 0.000 1.451 14.360) 14.433 3.056 ( -0.000 -2.454 -19.821) 19.972 3.056 ( -0.000 -2.454 19.821) 19.972 3.577 ( 0.000 10.494 -11.048) 15.238 3.577 ( 0.000 10.494 11.048) 15.238 4.369 ( 0.000 14.958 -12.821) 19.701 4.369 ( 0.000 14.958 12.821) 19.701 5.407 ( -0.000 -17.460 -12.931) 21.727 5.407 ( -0.000 -17.460 12.931) 21.727 5.560 ( 0.000 0.316 -22.663) 22.666 5.560 ( 0.000 0.316 22.663) 22.666 6.278 ( -0.000 -12.729 -14.016) 18.933 6.278 ( -0.000 -12.729 14.016) 18.933 6.618 ( 0.000 6.090 -6.795) 9.124 6.618 ( 0.000 6.090 6.795) 9.124 7.335 ( -0.000 -3.583 -5.436) 6.511 7.335 ( -0.000 -3.583 5.436) 6.511 7.672 ( 0.000 6.924 -6.620) 9.579 7.672 ( 0.000 6.924 6.620) 9.579 8.793 ( -0.000 -3.393 -3.723) 5.037 8.793 ( -0.000 -3.393 3.723) 5.037 9.658 ( -0.000 -18.584 -4.138) 19.039 9.658 ( -0.000 -18.584 4.138) 19.039 10.789 ( 0.000 5.946 -13.315) 14.582 10.789 ( 0.000 5.946 13.315) 14.582 10.817 ( 0.000 7.538 -2.824) 8.049 10.817 ( 0.000 7.538 2.824) 8.049 15.507 ( 0.000 0.958 -13.067) 13.102 15.507 ( 0.000 0.958 13.067) 13.102 21.208 ( -0.000 -2.785 -12.515) 12.821 21.208 ( -0.000 -2.785 12.515) 12.821 23.022 ( 0.000 2.664 -3.126) 4.107 23.022 ( 0.000 2.664 3.126) 4.107 23.126 ( 0.000 1.602 -2.332) 2.830 23.126 ( 0.000 1.602 2.332) 2.830 ======================= Grid point 465 (139/150) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.901 ( 2.487 0.000 -0.793) 2.610 2.901 ( 2.487 0.000 0.793) 2.610 3.089 ( 2.878 0.000 -13.085) 13.398 3.089 ( 2.878 0.000 13.085) 13.398 3.902 ( 15.267 0.000 -10.743) 18.668 3.902 ( 15.267 0.000 10.743) 18.668 4.224 ( 8.773 0.000 -6.692) 11.034 4.224 ( 8.773 0.000 6.692) 11.034 5.139 ( -17.782 -0.000 -2.841) 18.008 5.139 ( -17.782 -0.000 2.841) 18.008 5.582 ( -9.529 -0.000 -7.889) 12.371 5.582 ( -9.529 -0.000 7.889) 12.371 6.089 ( -10.621 -0.000 -7.762) 13.155 6.089 ( -10.621 -0.000 7.762) 13.155 6.687 ( 6.150 0.000 -1.511) 6.333 6.687 ( 6.150 0.000 1.511) 6.333 7.275 ( -5.122 -0.000 -3.577) 6.247 7.275 ( -5.122 -0.000 3.577) 6.247 7.787 ( 4.446 0.000 -0.413) 4.465 7.787 ( 4.446 0.000 0.413) 4.465 8.741 ( -3.778 -0.000 -4.202) 5.651 8.741 ( -3.778 -0.000 4.202) 5.651 9.832 ( -9.176 -0.000 -0.154) 9.177 9.832 ( -9.176 -0.000 0.154) 9.177 10.662 ( 6.057 0.000 -12.399) 13.800 10.662 ( 6.057 0.000 12.399) 13.800 11.005 ( 8.733 0.000 -14.201) 16.672 11.005 ( 8.733 0.000 14.201) 16.672 15.445 ( -1.438 -0.000 -11.390) 11.481 15.445 ( -1.438 -0.000 11.390) 11.481 21.045 ( -7.223 -0.000 -1.403) 7.358 21.045 ( -7.223 -0.000 1.403) 7.358 23.089 ( 3.134 0.000 -3.323) 4.568 23.089 ( 3.134 0.000 3.323) 4.568 23.271 ( 7.323 0.000 -8.144) 10.952 23.271 ( 7.323 0.000 8.144) 10.952 ======================= Grid point 467 (140/150) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 5.279 0.678 -7.800) 9.443 2.938 ( 5.279 0.678 7.800) 9.443 3.145 ( 3.635 -2.435 -16.967) 17.523 3.145 ( 3.635 -2.435 16.967) 17.523 3.980 ( 10.206 4.557 -9.284) 14.530 3.980 ( 10.206 4.557 9.284) 14.530 4.413 ( 6.706 -8.427 -5.365) 12.031 4.413 ( 6.706 -8.427 5.365) 12.031 4.930 ( -17.948 2.163 -4.109) 18.539 4.930 ( -17.948 2.163 4.109) 18.539 5.435 ( -9.939 4.342 -10.276) 14.941 5.435 ( -9.939 4.342 10.276) 14.941 6.026 ( -3.133 -2.109 -4.514) 5.886 6.026 ( -3.133 -2.109 4.514) 5.886 6.735 ( 6.084 1.138 -0.808) 6.242 6.735 ( 6.084 1.138 0.808) 6.242 7.266 ( -4.148 -3.718 -3.732) 6.705 7.266 ( -4.148 -3.718 3.732) 6.705 7.804 ( -0.168 0.202 -1.990) 2.007 7.804 ( -0.168 0.202 1.990) 2.007 8.676 ( -4.305 3.049 -4.010) 6.627 8.676 ( -4.305 3.049 4.010) 6.627 9.687 ( -6.391 6.697 -2.436) 9.572 9.687 ( -6.391 6.697 2.436) 9.572 10.727 ( 6.104 -0.461 -10.603) 12.243 10.727 ( 6.104 -0.461 10.603) 12.243 11.110 ( 6.250 -2.264 -13.728) 15.253 11.110 ( 6.250 -2.264 13.728) 15.253 15.444 ( -1.059 -1.364 -13.033) 13.146 15.444 ( -1.059 -1.364 13.033) 13.146 20.982 ( -5.851 -0.670 -5.645) 8.158 20.982 ( -5.851 -0.670 5.645) 8.158 23.115 ( 3.105 0.600 -3.246) 4.532 23.115 ( 3.105 0.600 3.246) 4.532 23.342 ( 5.745 0.117 -9.486) 11.091 23.342 ( 5.745 0.117 9.486) 11.091 ======================= Grid point 469 (141/150) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( 6.398 1.297 -9.639) 11.641 2.980 ( 6.398 1.297 9.639) 11.641 3.231 ( 2.859 -2.493 -16.221) 16.659 3.231 ( 2.859 -2.493 16.221) 16.659 3.968 ( 0.788 3.293 -7.771) 8.477 3.968 ( 0.788 3.293 7.771) 8.477 4.547 ( -2.110 -3.331 -6.700) 7.775 4.547 ( -2.110 -3.331 6.700) 7.775 4.763 ( -5.760 1.179 -7.820) 9.784 4.763 ( -5.760 1.179 7.820) 9.784 5.252 ( -11.373 3.168 -7.115) 13.784 5.252 ( -11.373 3.168 7.115) 13.784 6.130 ( 8.025 -6.376 -4.275) 11.105 6.130 ( 8.025 -6.376 4.275) 11.105 6.779 ( 3.533 -0.057 -1.727) 3.932 6.779 ( 3.533 -0.057 1.727) 3.932 7.300 ( -0.272 -2.486 -3.506) 4.306 7.300 ( -0.272 -2.486 3.506) 4.306 7.793 ( -4.921 -2.046 -3.655) 6.462 7.793 ( -4.921 -2.046 3.655) 6.462 8.546 ( -4.809 5.698 -4.072) 8.496 8.546 ( -4.809 5.698 4.072) 8.496 9.482 ( -3.147 10.424 -4.477) 11.773 9.482 ( -3.147 10.424 4.477) 11.773 10.808 ( 5.034 -2.132 -7.667) 9.417 10.808 ( 5.034 -2.132 7.667) 9.417 11.189 ( 3.152 -0.935 -13.861) 14.245 11.189 ( 3.152 -0.935 13.861) 14.245 15.469 ( -0.503 -2.156 -14.736) 14.901 15.469 ( -0.503 -2.156 14.736) 14.901 20.955 ( -3.740 -1.869 -9.299) 10.196 20.955 ( -3.740 -1.869 9.299) 10.196 23.134 ( 3.121 0.845 -2.968) 4.389 23.134 ( 3.121 0.845 2.968) 4.389 23.372 ( 2.743 1.545 -9.271) 9.791 23.372 ( 2.743 1.545 9.271) 9.791 ======================= Grid point 471 (142/150) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 6.209 1.921 -6.819) 9.421 3.018 ( 6.209 1.921 6.819) 9.421 3.249 ( -1.929 1.823 -9.826) 10.178 3.249 ( -1.929 1.823 9.826) 10.178 3.914 ( -4.914 -1.735 -9.566) 10.894 3.914 ( -4.914 -1.735 9.566) 10.894 4.564 ( 1.902 0.415 -11.796) 11.956 4.564 ( 1.902 0.415 11.796) 11.956 4.735 ( -2.235 -1.613 -6.205) 6.789 4.735 ( -2.235 -1.613 6.205) 6.789 5.129 ( -8.656 -1.939 -7.727) 11.764 5.129 ( -8.656 -1.939 7.727) 11.764 6.353 ( 13.277 -3.957 -2.088) 14.010 6.353 ( 13.277 -3.957 2.088) 14.010 6.784 ( -1.867 0.853 -4.516) 4.961 6.784 ( -1.867 0.853 4.516) 4.961 7.356 ( 4.668 -1.108 -2.508) 5.414 7.356 ( 4.668 -1.108 2.508) 5.414 7.768 ( -9.012 -2.794 -3.456) 10.048 7.768 ( -9.012 -2.794 3.456) 10.048 8.419 ( -2.962 2.446 -4.171) 5.670 8.419 ( -2.962 2.446 4.171) 5.670 9.274 ( -1.002 9.872 -4.461) 10.879 9.274 ( -1.002 9.872 4.461) 10.879 10.896 ( 3.377 -2.508 -5.627) 7.025 10.896 ( 3.377 -2.508 5.627) 7.025 11.203 ( 0.641 1.639 -14.696) 14.801 11.203 ( 0.641 1.639 14.696) 14.801 15.503 ( -0.131 -1.877 -15.753) 15.865 15.503 ( -0.131 -1.877 15.753) 15.865 20.972 ( -1.664 -2.998 -12.093) 12.570 20.972 ( -1.664 -2.998 12.093) 12.570 23.149 ( 3.128 1.073 -2.872) 4.380 23.149 ( 3.128 1.073 2.872) 4.380 23.342 ( -0.407 3.030 -8.315) 8.860 23.342 ( -0.407 3.030 8.315) 8.860 ======================= Grid point 473 (143/150) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 4.858 2.896 -7.504) 9.397 3.031 ( 4.858 2.896 7.504) 9.397 3.147 ( -5.379 3.985 -7.710) 10.210 3.147 ( -5.379 3.985 7.710) 10.210 3.944 ( -1.812 -3.440 -6.454) 7.535 3.944 ( -1.812 -3.440 6.454) 7.535 4.572 ( 1.455 -1.717 -11.391) 11.612 4.572 ( 1.455 -1.717 11.391) 11.612 4.767 ( -0.713 -2.018 -3.082) 3.752 4.767 ( -0.713 -2.018 3.082) 3.752 5.168 ( -3.382 -9.313 -12.116) 15.651 5.168 ( -3.382 -9.313 12.116) 15.651 6.443 ( 12.203 10.939 -5.124) 17.171 6.443 ( 12.203 10.939 5.124) 17.171 6.753 ( -7.164 -4.989 -5.884) 10.527 6.753 ( -7.164 -4.989 5.884) 10.527 7.383 ( 4.872 5.283 -3.478) 7.984 7.383 ( 4.872 5.283 3.478) 7.984 7.736 ( -6.819 -4.501 -5.978) 10.124 7.736 ( -6.819 -4.501 5.978) 10.124 8.433 ( -0.251 -5.420 -3.677) 6.554 8.433 ( -0.251 -5.420 3.677) 6.554 9.139 ( -0.072 3.778 -3.100) 4.888 9.139 ( -0.072 3.778 3.100) 4.888 10.956 ( 1.925 -1.074 -4.390) 4.912 10.956 ( 1.925 -1.074 4.390) 4.912 11.146 ( -0.916 4.402 -15.171) 15.823 11.146 ( -0.916 4.402 15.171) 15.823 15.528 ( 0.010 -0.876 -16.178) 16.202 15.528 ( 0.010 -0.876 16.178) 16.202 21.023 ( -0.212 -3.673 -14.153) 14.624 21.023 ( -0.212 -3.673 14.153) 14.624 23.160 ( 3.318 1.420 -2.982) 4.682 23.160 ( 3.318 1.420 2.982) 4.682 23.263 ( -2.865 3.803 -6.945) 8.420 23.263 ( -2.865 3.803 6.945) 8.420 ======================= Grid point 475 (144/150) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( 0.000 1.313 -10.946) 11.025 3.026 ( 0.000 1.313 10.946) 11.025 3.035 ( 0.000 3.769 -13.335) 13.857 3.035 ( 0.000 3.769 13.335) 13.857 3.919 ( 0.000 5.682 -13.239) 14.406 3.919 ( 0.000 5.682 13.239) 14.406 4.734 ( -0.000 -15.182 -12.996) 19.985 4.734 ( -0.000 -15.182 12.996) 19.985 4.746 ( 0.000 4.093 -7.429) 8.482 4.746 ( 0.000 4.093 7.429) 8.482 5.355 ( -0.000 -12.136 -9.068) 15.150 5.355 ( -0.000 -12.136 9.068) 15.150 6.263 ( 0.000 12.891 -9.167) 15.818 6.263 ( 0.000 12.891 9.167) 15.818 6.790 ( -0.000 -1.106 -6.358) 6.453 6.790 ( -0.000 -1.106 6.358) 6.453 7.298 ( 0.000 4.614 -5.272) 7.006 7.298 ( 0.000 4.614 5.272) 7.006 7.776 ( -0.000 -2.130 -8.134) 8.408 7.776 ( -0.000 -2.130 8.134) 8.408 8.564 ( -0.000 -8.302 -3.325) 8.943 8.564 ( -0.000 -8.302 3.325) 8.943 9.159 ( -0.000 -6.261 -4.009) 7.434 9.159 ( -0.000 -6.261 4.009) 7.434 10.969 ( 0.000 1.139 -3.379) 3.566 10.969 ( 0.000 1.139 3.379) 3.566 11.036 ( 0.000 6.761 -15.080) 16.526 11.036 ( 0.000 6.761 15.080) 16.526 15.534 ( 0.000 0.184 -16.054) 16.055 15.534 ( 0.000 0.184 16.054) 16.055 21.090 ( -0.000 -3.728 -15.176) 15.627 21.090 ( -0.000 -3.728 15.176) 15.627 23.156 ( 0.000 4.673 -6.912) 8.343 23.156 ( 0.000 4.673 6.912) 8.343 23.170 ( 0.000 0.793 -2.097) 2.242 23.170 ( 0.000 0.793 2.097) 2.242 ======================= Grid point 485 (145/150) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.021 ( 8.505 0.000 -0.525) 8.521 3.021 ( 8.505 0.000 0.525) 8.521 3.161 ( 4.528 0.000 -17.937) 18.500 3.161 ( 4.528 0.000 17.937) 18.500 4.124 ( 2.932 0.000 -10.693) 11.088 4.124 ( 2.932 0.000 10.693) 11.088 4.387 ( 5.586 0.000 -9.552) 11.066 4.387 ( 5.586 0.000 9.552) 11.066 4.788 ( -10.754 -0.000 -3.326) 11.256 4.788 ( -10.754 -0.000 3.326) 11.256 5.370 ( -11.811 -0.000 -5.454) 13.009 5.370 ( -11.811 -0.000 5.454) 13.009 5.970 ( -0.422 -0.000 -0.746) 0.857 5.970 ( -0.422 -0.000 0.746) 0.857 6.798 ( 2.048 0.000 -4.610) 5.045 6.798 ( 2.048 0.000 4.610) 5.045 7.192 ( -0.466 -0.000 -3.933) 3.960 7.192 ( -0.466 -0.000 3.933) 3.960 7.788 ( -4.275 -0.000 -1.495) 4.529 7.788 ( -4.275 -0.000 1.495) 4.529 8.672 ( -2.616 -0.000 -4.216) 4.962 8.672 ( -2.616 -0.000 4.216) 4.962 9.678 ( -5.815 -0.000 -1.351) 5.970 9.678 ( -5.815 -0.000 1.351) 5.970 10.794 ( 6.166 0.000 -14.787) 16.022 10.794 ( 6.166 0.000 14.787) 16.022 11.149 ( 5.215 0.000 -15.212) 16.082 11.149 ( 5.215 0.000 15.212) 16.082 15.421 ( -0.894 -0.000 -13.136) 13.166 15.421 ( -0.894 -0.000 13.136) 13.166 20.920 ( -4.818 -0.000 -5.048) 6.978 20.920 ( -4.818 -0.000 5.048) 6.978 23.149 ( 2.605 0.000 -3.762) 4.576 23.149 ( 2.605 0.000 3.762) 4.576 23.402 ( 5.040 0.000 -12.302) 13.294 23.402 ( 5.040 0.000 12.302) 13.294 ======================= Grid point 487 (146/150) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 7.311 1.514 -12.078) 14.199 3.088 ( 7.311 1.514 12.078) 14.199 3.237 ( 6.673 -1.081 -12.678) 14.367 3.237 ( 6.673 -1.081 12.678) 14.367 4.022 ( -9.205 5.184 -13.322) 17.003 4.022 ( -9.205 5.184 13.322) 17.003 4.469 ( 1.299 -3.254 -13.846) 14.283 4.469 ( 1.299 -3.254 13.846) 14.283 4.754 ( 2.718 0.143 -6.447) 6.998 4.754 ( 2.718 0.143 6.447) 6.998 5.200 ( -12.749 3.806 -5.078) 14.241 5.200 ( -12.749 3.806 5.078) 14.241 6.058 ( 4.981 -7.235 -2.779) 9.213 6.058 ( 4.981 -7.235 2.779) 9.213 6.797 ( -1.412 -0.771 -4.303) 4.594 6.797 ( -1.412 -0.771 4.303) 4.594 7.255 ( 4.790 -3.351 -4.045) 7.109 7.255 ( 4.790 -3.351 4.045) 7.109 7.718 ( -7.727 0.671 -2.697) 8.212 7.718 ( -7.727 0.671 2.697) 8.212 8.608 ( -2.145 4.544 -4.484) 6.735 8.608 ( -2.145 4.544 4.484) 6.735 9.584 ( -3.467 4.968 -3.342) 6.919 9.584 ( -3.467 4.968 3.342) 6.919 10.847 ( 4.820 0.128 -13.685) 14.509 10.847 ( 4.820 0.128 13.685) 14.509 11.202 ( 2.826 -0.888 -15.099) 15.387 11.202 ( 2.826 -0.888 15.099) 15.387 15.428 ( -0.484 -1.617 -14.108) 14.208 15.428 ( -0.484 -1.617 14.108) 14.208 20.890 ( -3.062 -1.299 -7.267) 7.992 20.890 ( -3.062 -1.299 7.267) 7.992 23.171 ( 2.122 0.258 -3.600) 4.187 23.171 ( 2.122 0.258 3.600) 4.187 23.431 ( 2.899 1.503 -12.959) 13.365 23.431 ( 2.899 1.503 12.959) 13.365 ======================= Grid point 489 (147/150) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 5.974 1.477 -14.617) 15.859 3.129 ( 5.974 1.477 14.617) 15.859 3.277 ( 1.760 3.055 -9.225) 9.876 3.277 ( 1.760 3.055 9.225) 9.876 3.848 ( -8.183 1.654 -14.330) 16.585 3.848 ( -8.183 1.654 14.330) 16.585 4.551 ( 2.657 -4.449 -14.292) 15.202 4.551 ( 2.657 -4.449 14.292) 15.202 4.750 ( 1.394 4.572 -9.302) 10.459 4.750 ( 1.394 4.572 9.302) 10.459 5.038 ( -7.864 0.606 -6.695) 10.346 5.038 ( -7.864 0.606 6.695) 10.346 6.291 ( 5.637 -11.224 -0.650) 12.576 6.291 ( 5.637 -11.224 0.650) 12.576 6.803 ( -0.821 -0.162 -3.383) 3.485 6.803 ( -0.821 -0.162 3.383) 3.485 7.379 ( 8.024 -3.017 -3.332) 9.197 7.379 ( 8.024 -3.017 3.332) 9.197 7.623 ( -10.374 -0.997 -3.610) 11.029 7.623 ( -10.374 -0.997 3.610) 11.029 8.483 ( -1.428 6.529 -5.447) 8.622 8.483 ( -1.428 6.529 5.447) 8.622 9.435 ( -1.221 8.848 -5.157) 10.314 9.435 ( -1.221 8.848 5.157) 10.314 10.893 ( 2.540 -1.160 -10.898) 11.250 10.893 ( 2.540 -1.160 10.898) 11.250 11.227 ( 0.738 0.292 -15.496) 15.517 11.227 ( 0.738 0.292 15.496) 15.517 15.463 ( -0.143 -2.378 -15.131) 15.317 15.463 ( -0.143 -2.378 15.131) 15.317 20.904 ( -1.272 -2.675 -9.967) 10.398 20.904 ( -1.272 -2.675 9.967) 10.398 23.184 ( 1.469 0.289 -3.167) 3.503 23.184 ( 1.469 0.289 3.167) 3.503 23.405 ( 0.654 3.433 -12.440) 12.922 23.405 ( 0.654 3.433 12.440) 12.922 ======================= Grid point 491 (148/150) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 0.000 1.723 -12.247) 12.367 3.147 ( 0.000 1.723 12.247) 12.367 3.170 ( 0.000 6.388 -11.296) 12.978 3.170 ( 0.000 6.388 11.296) 12.978 3.842 ( -0.000 -4.665 -6.778) 8.228 3.842 ( -0.000 -4.665 6.778) 8.228 4.635 ( 0.000 6.066 -15.773) 16.899 4.635 ( 0.000 6.066 15.773) 16.899 4.679 ( -0.000 -6.513 -10.872) 12.674 4.679 ( -0.000 -6.513 10.872) 12.674 5.032 ( -0.000 -3.766 -11.603) 12.199 5.032 ( -0.000 -3.766 11.603) 12.199 6.528 ( -0.000 -11.094 -3.533) 11.643 6.528 ( -0.000 -11.094 3.533) 11.643 6.732 ( 0.000 8.264 -2.431) 8.615 6.732 ( 0.000 8.264 2.431) 8.615 7.486 ( 0.000 0.649 -3.224) 3.289 7.486 ( 0.000 0.649 3.224) 3.289 7.585 ( -0.000 -5.056 -6.755) 8.437 7.585 ( -0.000 -5.056 6.755) 8.437 8.392 ( 0.000 1.692 -5.145) 5.416 8.392 ( 0.000 1.692 5.145) 5.416 9.262 ( 0.000 9.195 -4.773) 10.360 9.262 ( 0.000 9.195 4.773) 10.360 10.936 ( -0.000 -1.989 -7.578) 7.834 10.936 ( -0.000 -1.989 7.578) 7.834 11.206 ( 0.000 2.441 -15.830) 16.017 11.206 ( 0.000 2.441 15.830) 16.017 15.502 ( -0.000 -1.966 -15.837) 15.959 15.502 ( -0.000 -1.966 15.837) 15.959 20.955 ( -0.000 -3.603 -12.416) 12.928 20.955 ( -0.000 -3.603 12.416) 12.928 23.188 ( 0.000 0.297 -2.689) 2.705 23.188 ( 0.000 0.297 2.689) 2.705 23.331 ( 0.000 4.763 -11.137) 12.113 23.331 ( 0.000 4.763 11.137) 12.113 ======================= Grid point 507 (149/150) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.143 ( 2.189 0.000 -24.240) 24.339 3.143 ( 2.189 0.000 24.240) 24.339 3.340 ( 11.674 0.000 -2.490) 11.937 3.340 ( 11.674 0.000 2.490) 11.937 3.930 ( -14.754 -0.000 -17.949) 23.234 3.930 ( -14.754 -0.000 17.949) 23.234 4.473 ( 2.845 0.000 -14.198) 14.481 4.473 ( 2.845 0.000 14.198) 14.481 4.829 ( 10.374 0.000 -4.841) 11.447 4.829 ( 10.374 0.000 4.841) 11.448 5.099 ( -13.898 -0.000 -3.032) 14.225 5.099 ( -13.898 -0.000 3.032) 14.225 6.030 ( 3.719 0.000 -3.153) 4.876 6.030 ( 3.719 0.000 3.153) 4.876 6.744 ( -4.157 -0.000 -6.683) 7.871 6.744 ( -4.157 -0.000 6.683) 7.871 7.295 ( 7.491 0.000 -5.448) 9.262 7.295 ( 7.491 0.000 5.448) 9.262 7.647 ( -7.511 -0.000 -3.145) 8.142 7.647 ( -7.511 -0.000 3.145) 8.142 8.638 ( -0.772 -0.000 -4.138) 4.209 8.638 ( -0.772 -0.000 4.138) 4.209 9.598 ( -1.937 -0.000 -1.598) 2.512 9.598 ( -1.937 -0.000 1.598) 2.512 10.889 ( 2.628 0.000 -16.215) 16.426 10.889 ( 2.628 0.000 16.215) 16.426 11.218 ( 1.620 0.000 -15.596) 15.680 11.218 ( 1.620 0.000 15.596) 15.680 15.409 ( -0.262 -0.000 -14.025) 14.027 15.409 ( -0.262 -0.000 14.025) 14.027 20.853 ( -1.619 -0.000 -6.749) 6.940 20.853 ( -1.619 -0.000 6.749) 6.940 23.189 ( 1.059 0.000 -3.931) 4.072 23.189 ( 1.059 0.000 3.932) 4.072 23.471 ( 1.672 0.000 -14.416) 14.512 23.471 ( 1.672 0.000 14.416) 14.512 ======================= Grid point 509 (150/150) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -0.000 -0.333 -26.790) 26.792 3.157 ( -0.000 -0.333 26.790) 26.792 3.381 ( 0.000 3.759 -8.402) 9.204 3.381 ( 0.000 3.759 8.402) 9.204 3.821 ( 0.000 1.661 -19.371) 19.442 3.821 ( 0.000 1.661 19.371) 19.442 4.504 ( -0.000 -2.019 -13.922) 14.068 4.504 ( -0.000 -2.019 13.922) 14.068 4.878 ( 0.000 5.507 -9.461) 10.948 4.878 ( 0.000 5.507 9.461) 10.948 4.982 ( -0.000 -0.346 -9.672) 9.678 4.982 ( -0.000 -0.346 9.672) 9.678 6.133 ( -0.000 -8.536 -2.693) 8.950 6.133 ( -0.000 -8.536 2.693) 8.950 6.753 ( -0.000 -3.150 -6.422) 7.153 6.753 ( -0.000 -3.150 6.422) 7.153 7.374 ( -0.000 -3.359 -5.759) 6.666 7.374 ( -0.000 -3.359 5.759) 6.666 7.577 ( 0.000 2.259 -3.841) 4.456 7.577 ( 0.000 2.259 3.841) 4.456 8.587 ( 0.000 5.048 -4.789) 6.958 8.587 ( 0.000 5.048 4.789) 6.958 9.549 ( 0.000 4.521 -3.697) 5.840 9.549 ( 0.000 4.521 3.697) 5.840 10.900 ( 0.000 0.123 -14.996) 14.996 10.900 ( 0.000 0.123 14.996) 14.996 11.230 ( -0.000 -0.314 -15.688) 15.691 11.230 ( -0.000 -0.314 15.688) 15.691 15.424 ( -0.000 -1.694 -14.463) 14.562 15.424 ( -0.000 -1.694 14.463) 14.562 20.859 ( -0.000 -1.499 -7.911) 8.051 20.859 ( -0.000 -1.499 7.911) 8.052 23.194 ( 0.000 0.047 -3.766) 3.766 23.194 ( 0.000 0.047 3.766) 3.766 23.460 ( 0.000 2.068 -14.226) 14.376 23.460 ( 0.000 2.068 14.226) 14.376 =================== 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 3/29160 10.0 1215.637 575.864 662.841 0.000 0.000 0.000 3/29160 20.0 453.475 385.061 467.289 0.000 0.000 0.000 3/29160 30.0 193.443 169.846 203.223 0.000 0.000 0.000 3/29160 40.0 99.822 88.475 106.302 0.000 0.000 0.000 3/29160 50.0 59.292 53.261 64.785 0.000 0.000 0.000 3/29160 60.0 39.313 35.783 44.188 0.000 0.000 0.000 3/29160 70.0 28.344 26.094 32.677 0.000 0.000 0.000 3/29160 80.0 21.750 20.216 25.611 0.000 0.000 0.000 3/29160 90.0 17.483 16.380 20.946 0.000 0.000 0.000 3/29160 100.0 14.552 13.726 17.686 0.000 0.000 0.000 3/29160 110.0 12.440 11.800 15.301 0.000 0.000 0.000 3/29160 120.0 10.859 10.349 13.491 0.000 0.000 0.000 3/29160 130.0 9.636 9.221 12.077 0.000 0.000 0.000 3/29160 140.0 8.666 8.320 10.944 0.000 0.000 0.000 3/29160 150.0 7.880 7.586 10.017 0.000 0.000 0.000 3/29160 160.0 7.230 6.977 9.246 0.000 0.000 0.000 3/29160 170.0 6.686 6.463 8.594 0.000 0.000 0.000 3/29160 180.0 6.223 6.024 8.035 0.000 0.000 0.000 3/29160 190.0 5.825 5.645 7.552 0.000 0.000 0.000 3/29160 200.0 5.479 5.314 7.129 0.000 0.000 0.000 3/29160 210.0 5.176 5.023 6.756 0.000 0.000 0.000 3/29160 220.0 4.908 4.764 6.424 0.000 0.000 0.000 3/29160 230.0 4.670 4.532 6.126 0.000 0.000 0.000 3/29160 240.0 4.456 4.324 5.858 0.000 0.000 0.000 3/29160 250.0 4.263 4.136 5.615 0.000 0.000 0.000 3/29160 260.0 4.088 3.965 5.393 0.000 0.000 0.000 3/29160 270.0 3.928 3.808 5.190 0.000 0.000 0.000 3/29160 280.0 3.782 3.664 5.003 0.000 0.000 0.000 3/29160 290.0 3.647 3.532 4.830 0.000 0.000 0.000 3/29160 300.0 3.523 3.409 4.670 0.000 0.000 0.000 3/29160 310.0 3.408 3.295 4.521 0.000 0.000 0.000 3/29160 320.0 3.301 3.190 4.382 0.000 0.000 0.000 3/29160 330.0 3.201 3.091 4.252 0.000 0.000 0.000 3/29160 340.0 3.108 2.998 4.130 0.000 0.000 0.000 3/29160 350.0 3.020 2.911 4.015 0.000 0.000 0.000 3/29160 360.0 2.937 2.830 3.907 0.000 0.000 0.000 3/29160 370.0 2.860 2.752 3.805 0.000 0.000 0.000 3/29160 380.0 2.786 2.680 3.708 0.000 0.000 0.000 3/29160 390.0 2.717 2.611 3.616 0.000 0.000 0.000 3/29160 400.0 2.651 2.546 3.529 0.000 0.000 0.000 3/29160 410.0 2.588 2.484 3.447 0.000 0.000 0.000 3/29160 420.0 2.529 2.425 3.368 0.000 0.000 0.000 3/29160 430.0 2.472 2.369 3.293 0.000 0.000 0.000 3/29160 440.0 2.418 2.316 3.221 0.000 0.000 0.000 3/29160 450.0 2.366 2.265 3.152 0.000 0.000 0.000 3/29160 460.0 2.317 2.216 3.087 0.000 0.000 0.000 3/29160 470.0 2.269 2.169 3.024 0.000 0.000 0.000 3/29160 480.0 2.224 2.125 2.964 0.000 0.000 0.000 3/29160 490.0 2.181 2.082 2.906 0.000 0.000 0.000 3/29160 500.0 2.139 2.041 2.850 0.000 0.000 0.000 3/29160 510.0 2.099 2.001 2.796 0.000 0.000 0.000 3/29160 520.0 2.060 1.963 2.745 0.000 0.000 0.000 3/29160 530.0 2.023 1.927 2.695 0.000 0.000 0.000 3/29160 540.0 1.987 1.892 2.647 0.000 0.000 0.000 3/29160 550.0 1.952 1.858 2.601 0.000 0.000 0.000 3/29160 560.0 1.919 1.825 2.557 0.000 0.000 0.000 3/29160 570.0 1.887 1.794 2.514 0.000 0.000 0.000 3/29160 580.0 1.855 1.763 2.472 0.000 0.000 0.000 3/29160 590.0 1.825 1.734 2.432 0.000 0.000 0.000 3/29160 600.0 1.796 1.705 2.393 0.000 0.000 0.000 3/29160 610.0 1.768 1.678 2.355 0.000 0.000 0.000 3/29160 620.0 1.740 1.651 2.319 0.000 0.000 0.000 3/29160 630.0 1.714 1.625 2.283 0.000 0.000 0.000 3/29160 640.0 1.688 1.600 2.249 0.000 0.000 0.000 3/29160 650.0 1.663 1.576 2.216 0.000 0.000 0.000 3/29160 660.0 1.639 1.553 2.183 0.000 0.000 0.000 3/29160 670.0 1.615 1.530 2.152 0.000 0.000 0.000 3/29160 680.0 1.593 1.508 2.121 0.000 0.000 0.000 3/29160 690.0 1.570 1.486 2.092 0.000 0.000 0.000 3/29160 700.0 1.549 1.465 2.063 0.000 0.000 0.000 3/29160 710.0 1.528 1.445 2.035 0.000 0.000 0.000 3/29160 720.0 1.507 1.425 2.007 0.000 0.000 0.000 3/29160 730.0 1.487 1.406 1.981 0.000 0.000 0.000 3/29160 740.0 1.468 1.387 1.955 0.000 0.000 0.000 3/29160 750.0 1.449 1.369 1.930 0.000 0.000 0.000 3/29160 760.0 1.431 1.351 1.905 0.000 0.000 0.000 3/29160 770.0 1.413 1.334 1.881 0.000 0.000 0.000 3/29160 780.0 1.395 1.317 1.858 0.000 0.000 0.000 3/29160 790.0 1.378 1.301 1.835 0.000 0.000 0.000 3/29160 800.0 1.362 1.285 1.813 0.000 0.000 0.000 3/29160 810.0 1.345 1.269 1.791 0.000 0.000 0.000 3/29160 820.0 1.329 1.254 1.770 0.000 0.000 0.000 3/29160 830.0 1.314 1.239 1.749 0.000 0.000 0.000 3/29160 840.0 1.299 1.225 1.729 0.000 0.000 0.000 3/29160 850.0 1.284 1.210 1.709 0.000 0.000 0.000 3/29160 860.0 1.269 1.196 1.690 0.000 0.000 0.000 3/29160 870.0 1.255 1.183 1.671 0.000 0.000 0.000 3/29160 880.0 1.241 1.170 1.652 0.000 0.000 0.000 3/29160 890.0 1.228 1.157 1.634 0.000 0.000 0.000 3/29160 900.0 1.215 1.144 1.617 0.000 0.000 0.000 3/29160 910.0 1.202 1.132 1.599 0.000 0.000 0.000 3/29160 920.0 1.189 1.119 1.582 0.000 0.000 0.000 3/29160 930.0 1.177 1.108 1.566 0.000 0.000 0.000 3/29160 940.0 1.164 1.096 1.549 0.000 0.000 0.000 3/29160 950.0 1.152 1.084 1.534 0.000 0.000 0.000 3/29160 960.0 1.141 1.073 1.518 0.000 0.000 0.000 3/29160 970.0 1.129 1.062 1.503 0.000 0.000 0.000 3/29160 980.0 1.118 1.052 1.488 0.000 0.000 0.000 3/29160 990.0 1.107 1.041 1.473 0.000 0.000 0.000 3/29160 1000.0 1.096 1.031 1.459 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m9910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:04:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|