----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:00:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.692630330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.212786060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.879889950000000 Atomic positions (fractional): *1 Mg 0.26953559944306 0.11619658920463 0.53041904463416 24.305 2 Mg 0.23046440055694 0.88380341079537 0.03041904463416 24.305 3 Mg 0.73046440055694 0.61619658920463 0.96958095536584 24.305 4 Mg 0.76953559944306 0.11619658920463 0.96958095536584 24.305 5 Mg 0.76953559944306 0.38380341079537 0.46958095536584 24.305 6 Mg 0.26953559944306 0.38380341079537 0.03041904463416 24.305 7 Mg 0.23046440055694 0.61619658920463 0.53041904463416 24.305 8 Mg 0.73046440055694 0.88380341079537 0.46958095536584 24.305 *9 H 0.50676083778723 0.47301048083007 0.74133774435421 1.008 10 H 0.00676083778723 0.47301048083007 0.75866225564579 1.008 11 H 0.00676083778723 0.02698951916993 0.25866225564579 1.008 12 H 0.99323916221277 0.52698951916993 0.24133774435421 1.008 *13 H 0.31512657738157 0.69633963546448 0.89141295546433 1.008 14 H 0.31512657738157 0.80366036453552 0.39141295546433 1.008 15 H 0.49323916221277 0.97301048083007 0.75866225564579 1.008 16 H 0.99323916221277 0.97301048083007 0.74133774435421 1.008 17 H 0.81512657738157 0.80366036453552 0.10858704453567 1.008 18 H 0.81512657738157 0.69633963546448 0.60858704453567 1.008 19 H 0.50676083778723 0.02698951916993 0.24133774435421 1.008 20 H 0.49323916221277 0.52698951916993 0.25866225564579 1.008 21 H 0.68487342261843 0.19633963546448 0.60858704453567 1.008 22 H 0.18487342261843 0.30366036453552 0.39141295546433 1.008 23 H 0.18487342261843 0.19633963546448 0.89141295546433 1.008 24 H 0.68487342261843 0.30366036453552 0.10858704453567 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.692630330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.212786060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.879889950000000 Atomic positions (fractional): *1 Mg 0.26953559944306 0.11619658920463 0.53041904463416 24.305 > 1 2 Mg 0.23046440055694 0.88380341079537 0.03041904463416 24.305 > 2 3 Mg 0.73046440055694 0.61619658920463 0.96958095536584 24.305 > 3 4 Mg 0.76953559944306 0.11619658920463 0.96958095536584 24.305 > 4 5 Mg 0.76953559944306 0.38380341079537 0.46958095536584 24.305 > 5 6 Mg 0.26953559944306 0.38380341079537 0.03041904463416 24.305 > 6 7 Mg 0.23046440055694 0.61619658920463 0.53041904463416 24.305 > 7 8 Mg 0.73046440055694 0.88380341079537 0.46958095536584 24.305 > 8 *9 H 0.50676083778723 0.47301048083007 0.74133774435421 1.008 > 9 10 H 0.00676083778723 0.47301048083007 0.75866225564579 1.008 > 10 11 H 0.00676083778723 0.02698951916993 0.25866225564579 1.008 > 11 12 H 0.99323916221277 0.52698951916993 0.24133774435421 1.008 > 12 *13 H 0.31512657738157 0.69633963546448 0.89141295546433 1.008 > 13 14 H 0.31512657738157 0.80366036453552 0.39141295546433 1.008 > 14 15 H 0.49323916221277 0.97301048083007 0.75866225564579 1.008 > 15 16 H 0.99323916221277 0.97301048083007 0.74133774435421 1.008 > 16 17 H 0.81512657738157 0.80366036453552 0.10858704453567 1.008 > 17 18 H 0.81512657738157 0.69633963546448 0.60858704453567 1.008 > 18 19 H 0.50676083778723 0.02698951916993 0.24133774435421 1.008 > 19 20 H 0.49323916221277 0.52698951916993 0.25866225564579 1.008 > 20 21 H 0.68487342261843 0.19633963546448 0.60858704453567 1.008 > 21 22 H 0.18487342261843 0.30366036453552 0.39141295546433 1.008 > 22 23 H 0.18487342261843 0.19633963546448 0.89141295546433 1.008 > 23 24 H 0.68487342261843 0.30366036453552 0.10858704453567 1.008 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.385260660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.212786060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.759779900000000 Atomic positions (fractional): *1 Mg 0.13476779972153 0.11619658920463 0.26520952231708 24.305 > 1 2 Mg 0.63476779972153 0.11619658920463 0.26520952231708 24.305 > 1 3 Mg 0.13476779972153 0.11619658920463 0.76520952231708 24.305 > 1 4 Mg 0.63476779972153 0.11619658920463 0.76520952231708 24.305 > 1 5 Mg 0.11523220027847 0.88380341079537 0.01520952231708 24.305 > 2 6 Mg 0.61523220027847 0.88380341079537 0.01520952231708 24.305 > 2 7 Mg 0.11523220027847 0.88380341079537 0.51520952231708 24.305 > 2 8 Mg 0.61523220027847 0.88380341079537 0.51520952231708 24.305 > 2 9 Mg 0.36523220027847 0.61619658920463 0.48479047768292 24.305 > 3 10 Mg 0.86523220027847 0.61619658920463 0.48479047768292 24.305 > 3 11 Mg 0.36523220027847 0.61619658920463 0.98479047768292 24.305 > 3 12 Mg 0.86523220027847 0.61619658920463 0.98479047768292 24.305 > 3 13 Mg 0.38476779972153 0.11619658920463 0.48479047768292 24.305 > 4 14 Mg 0.88476779972153 0.11619658920463 0.48479047768292 24.305 > 4 15 Mg 0.38476779972153 0.11619658920463 0.98479047768292 24.305 > 4 16 Mg 0.88476779972153 0.11619658920463 0.98479047768292 24.305 > 4 17 Mg 0.38476779972153 0.38380341079537 0.23479047768292 24.305 > 5 18 Mg 0.88476779972153 0.38380341079537 0.23479047768292 24.305 > 5 19 Mg 0.38476779972153 0.38380341079537 0.73479047768292 24.305 > 5 20 Mg 0.88476779972153 0.38380341079537 0.73479047768292 24.305 > 5 21 Mg 0.13476779972153 0.38380341079537 0.01520952231708 24.305 > 6 22 Mg 0.63476779972153 0.38380341079537 0.01520952231708 24.305 > 6 23 Mg 0.13476779972153 0.38380341079537 0.51520952231708 24.305 > 6 24 Mg 0.63476779972153 0.38380341079537 0.51520952231708 24.305 > 6 25 Mg 0.11523220027847 0.61619658920463 0.26520952231708 24.305 > 7 26 Mg 0.61523220027847 0.61619658920463 0.26520952231708 24.305 > 7 27 Mg 0.11523220027847 0.61619658920463 0.76520952231708 24.305 > 7 28 Mg 0.61523220027847 0.61619658920463 0.76520952231708 24.305 > 7 29 Mg 0.36523220027847 0.88380341079537 0.23479047768292 24.305 > 8 30 Mg 0.86523220027847 0.88380341079537 0.23479047768292 24.305 > 8 31 Mg 0.36523220027847 0.88380341079537 0.73479047768292 24.305 > 8 32 Mg 0.86523220027847 0.88380341079537 0.73479047768292 24.305 > 8 *33 H 0.25338041889361 0.47301048083007 0.37066887217710 1.008 > 9 34 H 0.75338041889361 0.47301048083007 0.37066887217710 1.008 > 9 35 H 0.25338041889361 0.47301048083007 0.87066887217710 1.008 > 9 36 H 0.75338041889361 0.47301048083007 0.87066887217710 1.008 > 9 37 H 0.00338041889361 0.47301048083007 0.37933112782290 1.008 > 10 38 H 0.50338041889361 0.47301048083007 0.37933112782290 1.008 > 10 39 H 0.00338041889361 0.47301048083007 0.87933112782290 1.008 > 10 40 H 0.50338041889361 0.47301048083007 0.87933112782290 1.008 > 10 41 H 0.00338041889361 0.02698951916993 0.12933112782290 1.008 > 11 42 H 0.50338041889361 0.02698951916993 0.12933112782290 1.008 > 11 43 H 0.00338041889361 0.02698951916993 0.62933112782290 1.008 > 11 44 H 0.50338041889361 0.02698951916993 0.62933112782290 1.008 > 11 45 H 0.49661958110639 0.52698951916993 0.12066887217710 1.008 > 12 46 H 0.99661958110639 0.52698951916993 0.12066887217710 1.008 > 12 47 H 0.49661958110639 0.52698951916993 0.62066887217710 1.008 > 12 48 H 0.99661958110639 0.52698951916993 0.62066887217710 1.008 > 12 *49 H 0.15756328869079 0.69633963546448 0.44570647773217 1.008 > 13 50 H 0.65756328869078 0.69633963546448 0.44570647773217 1.008 > 13 51 H 0.15756328869079 0.69633963546448 0.94570647773217 1.008 > 13 52 H 0.65756328869078 0.69633963546448 0.94570647773217 1.008 > 13 53 H 0.15756328869079 0.80366036453552 0.19570647773217 1.008 > 14 54 H 0.65756328869078 0.80366036453552 0.19570647773217 1.008 > 14 55 H 0.15756328869079 0.80366036453552 0.69570647773217 1.008 > 14 56 H 0.65756328869078 0.80366036453552 0.69570647773217 1.008 > 14 57 H 0.24661958110639 0.97301048083007 0.37933112782290 1.008 > 15 58 H 0.74661958110639 0.97301048083007 0.37933112782290 1.008 > 15 59 H 0.24661958110639 0.97301048083007 0.87933112782290 1.008 > 15 60 H 0.74661958110639 0.97301048083007 0.87933112782290 1.008 > 15 61 H 0.49661958110639 0.97301048083007 0.37066887217710 1.008 > 16 62 H 0.99661958110639 0.97301048083007 0.37066887217710 1.008 > 16 63 H 0.49661958110639 0.97301048083007 0.87066887217710 1.008 > 16 64 H 0.99661958110639 0.97301048083007 0.87066887217710 1.008 > 16 65 H 0.40756328869079 0.80366036453552 0.05429352226783 1.008 > 17 66 H 0.90756328869078 0.80366036453552 0.05429352226783 1.008 > 17 67 H 0.40756328869079 0.80366036453552 0.55429352226783 1.008 > 17 68 H 0.90756328869078 0.80366036453552 0.55429352226783 1.008 > 17 69 H 0.40756328869079 0.69633963546448 0.30429352226783 1.008 > 18 70 H 0.90756328869078 0.69633963546448 0.30429352226783 1.008 > 18 71 H 0.40756328869079 0.69633963546448 0.80429352226783 1.008 > 18 72 H 0.90756328869078 0.69633963546448 0.80429352226783 1.008 > 18 73 H 0.25338041889361 0.02698951916993 0.12066887217710 1.008 > 19 74 H 0.75338041889361 0.02698951916993 0.12066887217710 1.008 > 19 75 H 0.25338041889361 0.02698951916993 0.62066887217710 1.008 > 19 76 H 0.75338041889361 0.02698951916993 0.62066887217710 1.008 > 19 77 H 0.24661958110639 0.52698951916993 0.12933112782290 1.008 > 20 78 H 0.74661958110639 0.52698951916993 0.12933112782290 1.008 > 20 79 H 0.24661958110639 0.52698951916993 0.62933112782290 1.008 > 20 80 H 0.74661958110639 0.52698951916993 0.62933112782290 1.008 > 20 81 H 0.34243671130921 0.19633963546448 0.30429352226783 1.008 > 21 82 H 0.84243671130922 0.19633963546448 0.30429352226783 1.008 > 21 83 H 0.34243671130921 0.19633963546448 0.80429352226783 1.008 > 21 84 H 0.84243671130922 0.19633963546448 0.80429352226783 1.008 > 21 85 H 0.09243671130922 0.30366036453552 0.19570647773217 1.008 > 22 86 H 0.59243671130922 0.30366036453552 0.19570647773217 1.008 > 22 87 H 0.09243671130922 0.30366036453552 0.69570647773217 1.008 > 22 88 H 0.59243671130922 0.30366036453552 0.69570647773217 1.008 > 22 89 H 0.09243671130922 0.19633963546448 0.44570647773217 1.008 > 23 90 H 0.59243671130922 0.19633963546448 0.44570647773217 1.008 > 23 91 H 0.09243671130922 0.19633963546448 0.94570647773217 1.008 > 23 92 H 0.59243671130922 0.19633963546448 0.94570647773217 1.008 > 23 93 H 0.34243671130921 0.30366036453552 0.05429352226783 1.008 > 24 94 H 0.84243671130922 0.30366036453552 0.05429352226783 1.008 > 24 95 H 0.34243671130921 0.30366036453552 0.55429352226783 1.008 > 24 96 H 0.84243671130922 0.30366036453552 0.55429352226783 1.008 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1951135 0.0000000 0.0000000 0.0000000 5.0374781 0.0000000 0.0000000 0.0000000 4.9861036 -------------------------- Born effective charges -------------------------- 1 Mg 2.0482922 -0.0119756 -0.0046361 0.0376282 1.9490374 0.0657663 0.0019951 0.0023618 1.9771946 2 Mg 2.0482922 -0.0119756 0.0046361 0.0376282 1.9490374 -0.0657663 -0.0019951 -0.0023618 1.9771946 3 Mg 2.0482922 0.0119756 -0.0046361 -0.0376282 1.9490374 -0.0657663 0.0019951 -0.0023618 1.9771946 4 Mg 2.0482922 -0.0119756 0.0046361 0.0376282 1.9490374 -0.0657663 -0.0019951 -0.0023618 1.9771946 5 Mg 2.0482922 0.0119756 0.0046361 -0.0376282 1.9490374 0.0657663 -0.0019951 0.0023618 1.9771946 6 Mg 2.0482922 0.0119756 -0.0046361 -0.0376282 1.9490374 -0.0657663 0.0019951 -0.0023618 1.9771946 7 Mg 2.0482922 0.0119756 0.0046361 -0.0376282 1.9490374 0.0657663 -0.0019951 0.0023618 1.9771946 8 Mg 2.0482922 -0.0119756 -0.0046361 0.0376282 1.9490374 0.0657663 0.0019951 0.0023618 1.9771946 9 H -0.9764331 0.0210604 0.0820903 0.0402483 -0.9347255 -0.0291078 0.0398324 -0.0109343 -1.0293169 10 H -0.9764331 0.0210604 -0.0820903 0.0402483 -0.9347255 0.0291078 -0.0398324 0.0109343 -1.0293169 11 H -0.9764331 -0.0210604 -0.0820903 -0.0402483 -0.9347255 -0.0291078 -0.0398324 -0.0109343 -1.0293169 12 H -0.9764331 0.0210604 -0.0820903 0.0402483 -0.9347255 0.0291078 -0.0398324 0.0109343 -1.0293169 13 H -1.0718591 0.0353131 -0.0339084 0.0591952 -1.0143119 -0.0812726 -0.0428452 -0.0937051 -0.9478777 14 H -1.0718591 -0.0353131 -0.0339084 -0.0591952 -1.0143119 0.0812726 -0.0428452 0.0937051 -0.9478777 15 H -0.9764331 -0.0210604 0.0820903 -0.0402483 -0.9347255 0.0291078 0.0398324 0.0109343 -1.0293169 16 H -0.9764331 -0.0210604 -0.0820903 -0.0402483 -0.9347255 -0.0291078 -0.0398324 -0.0109343 -1.0293169 17 H -1.0718591 -0.0353131 0.0339084 -0.0591952 -1.0143119 -0.0812726 0.0428452 -0.0937051 -0.9478777 18 H -1.0718591 0.0353131 0.0339084 0.0591952 -1.0143119 0.0812726 0.0428452 0.0937051 -0.9478777 19 H -0.9764331 -0.0210604 0.0820903 -0.0402483 -0.9347255 0.0291078 0.0398324 0.0109343 -1.0293169 20 H -0.9764331 0.0210604 0.0820903 0.0402483 -0.9347255 -0.0291078 0.0398324 -0.0109343 -1.0293169 21 H -1.0718591 -0.0353131 -0.0339084 -0.0591952 -1.0143119 0.0812726 -0.0428452 0.0937051 -0.9478777 22 H -1.0718591 0.0353131 0.0339084 0.0591952 -1.0143119 0.0812726 0.0428452 0.0937051 -0.9478777 23 H -1.0718591 -0.0353131 0.0339084 -0.0591952 -1.0143119 -0.0812726 0.0428452 -0.0937051 -0.9478777 24 H -1.0718591 0.0353131 -0.0339084 0.0591952 -1.0143119 -0.0812726 -0.0428452 -0.0937051 -0.9478777 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.518 Solver_block: 200 / 400 - Time: 1.533 Solver_block: 300 / 400 - Time: 1.551 Solver_block: 400 / 400 - Time: 1.538 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.172 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1368 Number of blocks in projector: 1368 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 168 Use standard eigh solver. Tree of FC basis block matrices: - (1368, 1341), data: False |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True |-- (288, 282), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:00:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:00:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.692630330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.212786060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.879889950000000 Atomic positions (fractional): 1 Mg 0.26953559944306 0.11619658920463 0.53041904463416 24.305 2 Mg 0.23046440055694 0.88380341079537 0.03041904463416 24.305 3 Mg 0.73046440055694 0.61619658920463 0.96958095536584 24.305 4 Mg 0.76953559944306 0.11619658920463 0.96958095536584 24.305 5 Mg 0.76953559944306 0.38380341079537 0.46958095536584 24.305 6 Mg 0.26953559944306 0.38380341079537 0.03041904463416 24.305 7 Mg 0.23046440055694 0.61619658920463 0.53041904463416 24.305 8 Mg 0.73046440055694 0.88380341079537 0.46958095536584 24.305 9 H 0.50676083778723 0.47301048083007 0.74133774435421 1.008 10 H 0.00676083778723 0.47301048083007 0.75866225564579 1.008 11 H 0.00676083778723 0.02698951916993 0.25866225564579 1.008 12 H 0.99323916221277 0.52698951916993 0.24133774435421 1.008 13 H 0.31512657738157 0.69633963546448 0.89141295546433 1.008 14 H 0.31512657738157 0.80366036453552 0.39141295546433 1.008 15 H 0.49323916221277 0.97301048083007 0.75866225564579 1.008 16 H 0.99323916221277 0.97301048083007 0.74133774435421 1.008 17 H 0.81512657738157 0.80366036453552 0.10858704453567 1.008 18 H 0.81512657738157 0.69633963546448 0.60858704453567 1.008 19 H 0.50676083778723 0.02698951916993 0.24133774435421 1.008 20 H 0.49323916221277 0.52698951916993 0.25866225564579 1.008 21 H 0.68487342261843 0.19633963546448 0.60858704453567 1.008 22 H 0.18487342261843 0.30366036453552 0.39141295546433 1.008 23 H 0.18487342261843 0.19633963546448 0.89141295546433 1.008 24 H 0.68487342261843 0.30366036453552 0.10858704453567 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.385260660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.212786060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.759779900000000 Atomic positions (fractional): 1 Mg 0.13476779972153 0.11619658920463 0.26520952231708 24.305 > 1 2 Mg 0.63476779972153 0.11619658920463 0.26520952231708 24.305 > 1 3 Mg 0.13476779972153 0.11619658920463 0.76520952231708 24.305 > 1 4 Mg 0.63476779972153 0.11619658920463 0.76520952231708 24.305 > 1 5 Mg 0.11523220027847 0.88380341079537 0.01520952231708 24.305 > 5 6 Mg 0.61523220027847 0.88380341079537 0.01520952231708 24.305 > 5 7 Mg 0.11523220027847 0.88380341079537 0.51520952231708 24.305 > 5 8 Mg 0.61523220027847 0.88380341079537 0.51520952231708 24.305 > 5 9 Mg 0.36523220027847 0.61619658920463 0.48479047768292 24.305 > 9 10 Mg 0.86523220027847 0.61619658920463 0.48479047768292 24.305 > 9 11 Mg 0.36523220027847 0.61619658920463 0.98479047768292 24.305 > 9 12 Mg 0.86523220027847 0.61619658920463 0.98479047768292 24.305 > 9 13 Mg 0.38476779972153 0.11619658920463 0.48479047768292 24.305 > 13 14 Mg 0.88476779972153 0.11619658920463 0.48479047768292 24.305 > 13 15 Mg 0.38476779972153 0.11619658920463 0.98479047768292 24.305 > 13 16 Mg 0.88476779972153 0.11619658920463 0.98479047768292 24.305 > 13 17 Mg 0.38476779972153 0.38380341079537 0.23479047768292 24.305 > 17 18 Mg 0.88476779972153 0.38380341079537 0.23479047768292 24.305 > 17 19 Mg 0.38476779972153 0.38380341079537 0.73479047768292 24.305 > 17 20 Mg 0.88476779972153 0.38380341079537 0.73479047768292 24.305 > 17 21 Mg 0.13476779972153 0.38380341079537 0.01520952231708 24.305 > 21 22 Mg 0.63476779972153 0.38380341079537 0.01520952231708 24.305 > 21 23 Mg 0.13476779972153 0.38380341079537 0.51520952231708 24.305 > 21 24 Mg 0.63476779972153 0.38380341079537 0.51520952231708 24.305 > 21 25 Mg 0.11523220027847 0.61619658920463 0.26520952231708 24.305 > 25 26 Mg 0.61523220027847 0.61619658920463 0.26520952231708 24.305 > 25 27 Mg 0.11523220027847 0.61619658920463 0.76520952231708 24.305 > 25 28 Mg 0.61523220027847 0.61619658920463 0.76520952231708 24.305 > 25 29 Mg 0.36523220027847 0.88380341079537 0.23479047768292 24.305 > 29 30 Mg 0.86523220027847 0.88380341079537 0.23479047768292 24.305 > 29 31 Mg 0.36523220027847 0.88380341079537 0.73479047768292 24.305 > 29 32 Mg 0.86523220027847 0.88380341079537 0.73479047768292 24.305 > 29 33 H 0.25338041889361 0.47301048083007 0.37066887217710 1.008 > 33 34 H 0.75338041889361 0.47301048083007 0.37066887217710 1.008 > 33 35 H 0.25338041889361 0.47301048083007 0.87066887217710 1.008 > 33 36 H 0.75338041889361 0.47301048083007 0.87066887217710 1.008 > 33 37 H 0.00338041889361 0.47301048083007 0.37933112782290 1.008 > 37 38 H 0.50338041889361 0.47301048083007 0.37933112782290 1.008 > 37 39 H 0.00338041889361 0.47301048083007 0.87933112782290 1.008 > 37 40 H 0.50338041889361 0.47301048083007 0.87933112782290 1.008 > 37 41 H 0.00338041889361 0.02698951916993 0.12933112782290 1.008 > 41 42 H 0.50338041889361 0.02698951916993 0.12933112782290 1.008 > 41 43 H 0.00338041889361 0.02698951916993 0.62933112782290 1.008 > 41 44 H 0.50338041889361 0.02698951916993 0.62933112782290 1.008 > 41 45 H 0.49661958110639 0.52698951916993 0.12066887217710 1.008 > 45 46 H 0.99661958110639 0.52698951916993 0.12066887217710 1.008 > 45 47 H 0.49661958110639 0.52698951916993 0.62066887217710 1.008 > 45 48 H 0.99661958110639 0.52698951916993 0.62066887217710 1.008 > 45 49 H 0.15756328869079 0.69633963546448 0.44570647773217 1.008 > 49 50 H 0.65756328869078 0.69633963546448 0.44570647773217 1.008 > 49 51 H 0.15756328869079 0.69633963546448 0.94570647773217 1.008 > 49 52 H 0.65756328869078 0.69633963546448 0.94570647773217 1.008 > 49 53 H 0.15756328869079 0.80366036453552 0.19570647773217 1.008 > 53 54 H 0.65756328869078 0.80366036453552 0.19570647773217 1.008 > 53 55 H 0.15756328869079 0.80366036453552 0.69570647773217 1.008 > 53 56 H 0.65756328869078 0.80366036453552 0.69570647773217 1.008 > 53 57 H 0.24661958110639 0.97301048083007 0.37933112782290 1.008 > 57 58 H 0.74661958110639 0.97301048083007 0.37933112782290 1.008 > 57 59 H 0.24661958110639 0.97301048083007 0.87933112782290 1.008 > 57 60 H 0.74661958110639 0.97301048083007 0.87933112782290 1.008 > 57 61 H 0.49661958110639 0.97301048083007 0.37066887217710 1.008 > 61 62 H 0.99661958110639 0.97301048083007 0.37066887217710 1.008 > 61 63 H 0.49661958110639 0.97301048083007 0.87066887217710 1.008 > 61 64 H 0.99661958110639 0.97301048083007 0.87066887217710 1.008 > 61 65 H 0.40756328869079 0.80366036453552 0.05429352226783 1.008 > 65 66 H 0.90756328869078 0.80366036453552 0.05429352226783 1.008 > 65 67 H 0.40756328869079 0.80366036453552 0.55429352226783 1.008 > 65 68 H 0.90756328869078 0.80366036453552 0.55429352226783 1.008 > 65 69 H 0.40756328869079 0.69633963546448 0.30429352226783 1.008 > 69 70 H 0.90756328869078 0.69633963546448 0.30429352226783 1.008 > 69 71 H 0.40756328869079 0.69633963546448 0.80429352226783 1.008 > 69 72 H 0.90756328869078 0.69633963546448 0.80429352226783 1.008 > 69 73 H 0.25338041889361 0.02698951916993 0.12066887217710 1.008 > 73 74 H 0.75338041889361 0.02698951916993 0.12066887217710 1.008 > 73 75 H 0.25338041889361 0.02698951916993 0.62066887217710 1.008 > 73 76 H 0.75338041889361 0.02698951916993 0.62066887217710 1.008 > 73 77 H 0.24661958110639 0.52698951916993 0.12933112782290 1.008 > 77 78 H 0.74661958110639 0.52698951916993 0.12933112782290 1.008 > 77 79 H 0.24661958110639 0.52698951916993 0.62933112782290 1.008 > 77 80 H 0.74661958110639 0.52698951916993 0.62933112782290 1.008 > 77 81 H 0.34243671130921 0.19633963546448 0.30429352226783 1.008 > 81 82 H 0.84243671130922 0.19633963546448 0.30429352226783 1.008 > 81 83 H 0.34243671130921 0.19633963546448 0.80429352226783 1.008 > 81 84 H 0.84243671130922 0.19633963546448 0.80429352226783 1.008 > 81 85 H 0.09243671130922 0.30366036453552 0.19570647773217 1.008 > 85 86 H 0.59243671130922 0.30366036453552 0.19570647773217 1.008 > 85 87 H 0.09243671130922 0.30366036453552 0.69570647773217 1.008 > 85 88 H 0.59243671130922 0.30366036453552 0.69570647773217 1.008 > 85 89 H 0.09243671130922 0.19633963546448 0.44570647773217 1.008 > 89 90 H 0.59243671130922 0.19633963546448 0.44570647773217 1.008 > 89 91 H 0.09243671130922 0.19633963546448 0.94570647773217 1.008 > 89 92 H 0.59243671130922 0.19633963546448 0.94570647773217 1.008 > 89 93 H 0.34243671130921 0.30366036453552 0.05429352226783 1.008 > 93 94 H 0.84243671130922 0.30366036453552 0.05429352226783 1.008 > 93 95 H 0.34243671130921 0.30366036453552 0.55429352226783 1.008 > 93 96 H 0.84243671130922 0.30366036453552 0.55429352226783 1.008 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1951135 0.0000000 0.0000000 0.0000000 5.0374781 0.0000000 0.0000000 0.0000000 4.9861036 -------------------------- Born effective charges -------------------------- 1 Mg 2.0482922 -0.0119756 -0.0046361 0.0376282 1.9490374 0.0657663 0.0019951 0.0023618 1.9771946 2 Mg 2.0482922 -0.0119756 0.0046361 0.0376282 1.9490374 -0.0657663 -0.0019951 -0.0023618 1.9771946 3 Mg 2.0482922 0.0119756 -0.0046361 -0.0376282 1.9490374 -0.0657663 0.0019951 -0.0023618 1.9771946 4 Mg 2.0482922 -0.0119756 0.0046361 0.0376282 1.9490374 -0.0657663 -0.0019951 -0.0023618 1.9771946 5 Mg 2.0482922 0.0119756 0.0046361 -0.0376282 1.9490374 0.0657663 -0.0019951 0.0023618 1.9771946 6 Mg 2.0482922 0.0119756 -0.0046361 -0.0376282 1.9490374 -0.0657663 0.0019951 -0.0023618 1.9771946 7 Mg 2.0482922 0.0119756 0.0046361 -0.0376282 1.9490374 0.0657663 -0.0019951 0.0023618 1.9771946 8 Mg 2.0482922 -0.0119756 -0.0046361 0.0376282 1.9490374 0.0657663 0.0019951 0.0023618 1.9771946 9 H -0.9764331 0.0210604 0.0820903 0.0402483 -0.9347255 -0.0291078 0.0398324 -0.0109343 -1.0293169 10 H -0.9764331 0.0210604 -0.0820903 0.0402483 -0.9347255 0.0291078 -0.0398324 0.0109343 -1.0293169 11 H -0.9764331 -0.0210604 -0.0820903 -0.0402483 -0.9347255 -0.0291078 -0.0398324 -0.0109343 -1.0293169 12 H -0.9764331 0.0210604 -0.0820903 0.0402483 -0.9347255 0.0291078 -0.0398324 0.0109343 -1.0293169 13 H -1.0718591 0.0353131 -0.0339084 0.0591952 -1.0143119 -0.0812726 -0.0428452 -0.0937051 -0.9478777 14 H -1.0718591 -0.0353131 -0.0339084 -0.0591952 -1.0143119 0.0812726 -0.0428452 0.0937051 -0.9478777 15 H -0.9764331 -0.0210604 0.0820903 -0.0402483 -0.9347255 0.0291078 0.0398324 0.0109343 -1.0293169 16 H -0.9764331 -0.0210604 -0.0820903 -0.0402483 -0.9347255 -0.0291078 -0.0398324 -0.0109343 -1.0293169 17 H -1.0718591 -0.0353131 0.0339084 -0.0591952 -1.0143119 -0.0812726 0.0428452 -0.0937051 -0.9478777 18 H -1.0718591 0.0353131 0.0339084 0.0591952 -1.0143119 0.0812726 0.0428452 0.0937051 -0.9478777 19 H -0.9764331 -0.0210604 0.0820903 -0.0402483 -0.9347255 0.0291078 0.0398324 0.0109343 -1.0293169 20 H -0.9764331 0.0210604 0.0820903 0.0402483 -0.9347255 -0.0291078 0.0398324 -0.0109343 -1.0293169 21 H -1.0718591 -0.0353131 -0.0339084 -0.0591952 -1.0143119 0.0812726 -0.0428452 0.0937051 -0.9478777 22 H -1.0718591 0.0353131 0.0339084 0.0591952 -1.0143119 0.0812726 0.0428452 0.0937051 -0.9478777 23 H -1.0718591 -0.0353131 0.0339084 -0.0591952 -1.0143119 -0.0812726 0.0428452 -0.0937051 -0.9478777 24 H -1.0718591 0.0353131 -0.0339084 0.0591952 -1.0143119 -0.0812726 -0.0428452 -0.0937051 -0.9478777 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:00:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:00:52]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.692630330000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.212786060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.879889950000000 Atomic positions (fractional): 1 Mg 0.26953559944306 0.11619658920463 0.53041904463416 24.305 2 Mg 0.23046440055694 0.88380341079537 0.03041904463416 24.305 3 Mg 0.73046440055694 0.61619658920463 0.96958095536584 24.305 4 Mg 0.76953559944306 0.11619658920463 0.96958095536584 24.305 5 Mg 0.76953559944306 0.38380341079537 0.46958095536584 24.305 6 Mg 0.26953559944306 0.38380341079537 0.03041904463416 24.305 7 Mg 0.23046440055694 0.61619658920463 0.53041904463416 24.305 8 Mg 0.73046440055694 0.88380341079537 0.46958095536584 24.305 9 H 0.50676083778723 0.47301048083007 0.74133774435421 1.008 10 H 0.00676083778723 0.47301048083007 0.75866225564579 1.008 11 H 0.00676083778723 0.02698951916993 0.25866225564579 1.008 12 H 0.99323916221277 0.52698951916993 0.24133774435421 1.008 13 H 0.31512657738157 0.69633963546448 0.89141295546433 1.008 14 H 0.31512657738157 0.80366036453552 0.39141295546433 1.008 15 H 0.49323916221277 0.97301048083007 0.75866225564579 1.008 16 H 0.99323916221277 0.97301048083007 0.74133774435421 1.008 17 H 0.81512657738157 0.80366036453552 0.10858704453567 1.008 18 H 0.81512657738157 0.69633963546448 0.60858704453567 1.008 19 H 0.50676083778723 0.02698951916993 0.24133774435421 1.008 20 H 0.49323916221277 0.52698951916993 0.25866225564579 1.008 21 H 0.68487342261843 0.19633963546448 0.60858704453567 1.008 22 H 0.18487342261843 0.30366036453552 0.39141295546433 1.008 23 H 0.18487342261843 0.19633963546448 0.89141295546433 1.008 24 H 0.68487342261843 0.30366036453552 0.10858704453567 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.385260660000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.212786060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.759779900000000 Atomic positions (fractional): 1 Mg 0.13476779972153 0.11619658920463 0.26520952231708 24.305 > 1 2 Mg 0.63476779972153 0.11619658920463 0.26520952231708 24.305 > 1 3 Mg 0.13476779972153 0.11619658920463 0.76520952231708 24.305 > 1 4 Mg 0.63476779972153 0.11619658920463 0.76520952231708 24.305 > 1 5 Mg 0.11523220027847 0.88380341079537 0.01520952231708 24.305 > 5 6 Mg 0.61523220027847 0.88380341079537 0.01520952231708 24.305 > 5 7 Mg 0.11523220027847 0.88380341079537 0.51520952231708 24.305 > 5 8 Mg 0.61523220027847 0.88380341079537 0.51520952231708 24.305 > 5 9 Mg 0.36523220027847 0.61619658920463 0.48479047768292 24.305 > 9 10 Mg 0.86523220027847 0.61619658920463 0.48479047768292 24.305 > 9 11 Mg 0.36523220027847 0.61619658920463 0.98479047768292 24.305 > 9 12 Mg 0.86523220027847 0.61619658920463 0.98479047768292 24.305 > 9 13 Mg 0.38476779972153 0.11619658920463 0.48479047768292 24.305 > 13 14 Mg 0.88476779972153 0.11619658920463 0.48479047768292 24.305 > 13 15 Mg 0.38476779972153 0.11619658920463 0.98479047768292 24.305 > 13 16 Mg 0.88476779972153 0.11619658920463 0.98479047768292 24.305 > 13 17 Mg 0.38476779972153 0.38380341079537 0.23479047768292 24.305 > 17 18 Mg 0.88476779972153 0.38380341079537 0.23479047768292 24.305 > 17 19 Mg 0.38476779972153 0.38380341079537 0.73479047768292 24.305 > 17 20 Mg 0.88476779972153 0.38380341079537 0.73479047768292 24.305 > 17 21 Mg 0.13476779972153 0.38380341079537 0.01520952231708 24.305 > 21 22 Mg 0.63476779972153 0.38380341079537 0.01520952231708 24.305 > 21 23 Mg 0.13476779972153 0.38380341079537 0.51520952231708 24.305 > 21 24 Mg 0.63476779972153 0.38380341079537 0.51520952231708 24.305 > 21 25 Mg 0.11523220027847 0.61619658920463 0.26520952231708 24.305 > 25 26 Mg 0.61523220027847 0.61619658920463 0.26520952231708 24.305 > 25 27 Mg 0.11523220027847 0.61619658920463 0.76520952231708 24.305 > 25 28 Mg 0.61523220027847 0.61619658920463 0.76520952231708 24.305 > 25 29 Mg 0.36523220027847 0.88380341079537 0.23479047768292 24.305 > 29 30 Mg 0.86523220027847 0.88380341079537 0.23479047768292 24.305 > 29 31 Mg 0.36523220027847 0.88380341079537 0.73479047768292 24.305 > 29 32 Mg 0.86523220027847 0.88380341079537 0.73479047768292 24.305 > 29 33 H 0.25338041889361 0.47301048083007 0.37066887217710 1.008 > 33 34 H 0.75338041889361 0.47301048083007 0.37066887217710 1.008 > 33 35 H 0.25338041889361 0.47301048083007 0.87066887217710 1.008 > 33 36 H 0.75338041889361 0.47301048083007 0.87066887217710 1.008 > 33 37 H 0.00338041889361 0.47301048083007 0.37933112782290 1.008 > 37 38 H 0.50338041889361 0.47301048083007 0.37933112782290 1.008 > 37 39 H 0.00338041889361 0.47301048083007 0.87933112782290 1.008 > 37 40 H 0.50338041889361 0.47301048083007 0.87933112782290 1.008 > 37 41 H 0.00338041889361 0.02698951916993 0.12933112782290 1.008 > 41 42 H 0.50338041889361 0.02698951916993 0.12933112782290 1.008 > 41 43 H 0.00338041889361 0.02698951916993 0.62933112782290 1.008 > 41 44 H 0.50338041889361 0.02698951916993 0.62933112782290 1.008 > 41 45 H 0.49661958110639 0.52698951916993 0.12066887217710 1.008 > 45 46 H 0.99661958110639 0.52698951916993 0.12066887217710 1.008 > 45 47 H 0.49661958110639 0.52698951916993 0.62066887217710 1.008 > 45 48 H 0.99661958110639 0.52698951916993 0.62066887217710 1.008 > 45 49 H 0.15756328869079 0.69633963546448 0.44570647773217 1.008 > 49 50 H 0.65756328869078 0.69633963546448 0.44570647773217 1.008 > 49 51 H 0.15756328869079 0.69633963546448 0.94570647773217 1.008 > 49 52 H 0.65756328869078 0.69633963546448 0.94570647773217 1.008 > 49 53 H 0.15756328869079 0.80366036453552 0.19570647773217 1.008 > 53 54 H 0.65756328869078 0.80366036453552 0.19570647773217 1.008 > 53 55 H 0.15756328869079 0.80366036453552 0.69570647773217 1.008 > 53 56 H 0.65756328869078 0.80366036453552 0.69570647773217 1.008 > 53 57 H 0.24661958110639 0.97301048083007 0.37933112782290 1.008 > 57 58 H 0.74661958110639 0.97301048083007 0.37933112782290 1.008 > 57 59 H 0.24661958110639 0.97301048083007 0.87933112782290 1.008 > 57 60 H 0.74661958110639 0.97301048083007 0.87933112782290 1.008 > 57 61 H 0.49661958110639 0.97301048083007 0.37066887217710 1.008 > 61 62 H 0.99661958110639 0.97301048083007 0.37066887217710 1.008 > 61 63 H 0.49661958110639 0.97301048083007 0.87066887217710 1.008 > 61 64 H 0.99661958110639 0.97301048083007 0.87066887217710 1.008 > 61 65 H 0.40756328869079 0.80366036453552 0.05429352226783 1.008 > 65 66 H 0.90756328869078 0.80366036453552 0.05429352226783 1.008 > 65 67 H 0.40756328869079 0.80366036453552 0.55429352226783 1.008 > 65 68 H 0.90756328869078 0.80366036453552 0.55429352226783 1.008 > 65 69 H 0.40756328869079 0.69633963546448 0.30429352226783 1.008 > 69 70 H 0.90756328869078 0.69633963546448 0.30429352226783 1.008 > 69 71 H 0.40756328869079 0.69633963546448 0.80429352226783 1.008 > 69 72 H 0.90756328869078 0.69633963546448 0.80429352226783 1.008 > 69 73 H 0.25338041889361 0.02698951916993 0.12066887217710 1.008 > 73 74 H 0.75338041889361 0.02698951916993 0.12066887217710 1.008 > 73 75 H 0.25338041889361 0.02698951916993 0.62066887217710 1.008 > 73 76 H 0.75338041889361 0.02698951916993 0.62066887217710 1.008 > 73 77 H 0.24661958110639 0.52698951916993 0.12933112782290 1.008 > 77 78 H 0.74661958110639 0.52698951916993 0.12933112782290 1.008 > 77 79 H 0.24661958110639 0.52698951916993 0.62933112782290 1.008 > 77 80 H 0.74661958110639 0.52698951916993 0.62933112782290 1.008 > 77 81 H 0.34243671130921 0.19633963546448 0.30429352226783 1.008 > 81 82 H 0.84243671130922 0.19633963546448 0.30429352226783 1.008 > 81 83 H 0.34243671130921 0.19633963546448 0.80429352226783 1.008 > 81 84 H 0.84243671130922 0.19633963546448 0.80429352226783 1.008 > 81 85 H 0.09243671130922 0.30366036453552 0.19570647773217 1.008 > 85 86 H 0.59243671130922 0.30366036453552 0.19570647773217 1.008 > 85 87 H 0.09243671130922 0.30366036453552 0.69570647773217 1.008 > 85 88 H 0.59243671130922 0.30366036453552 0.69570647773217 1.008 > 85 89 H 0.09243671130922 0.19633963546448 0.44570647773217 1.008 > 89 90 H 0.59243671130922 0.19633963546448 0.44570647773217 1.008 > 89 91 H 0.09243671130922 0.19633963546448 0.94570647773217 1.008 > 89 92 H 0.59243671130922 0.19633963546448 0.94570647773217 1.008 > 89 93 H 0.34243671130921 0.30366036453552 0.05429352226783 1.008 > 93 94 H 0.84243671130922 0.30366036453552 0.05429352226783 1.008 > 93 95 H 0.34243671130921 0.30366036453552 0.55429352226783 1.008 > 93 96 H 0.84243671130922 0.30366036453552 0.55429352226783 1.008 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1951135 0.0000000 0.0000000 0.0000000 5.0374781 0.0000000 0.0000000 0.0000000 4.9861036 -------------------------- Born effective charges -------------------------- 1 Mg 2.0482922 -0.0119756 -0.0046361 0.0376282 1.9490374 0.0657663 0.0019951 0.0023618 1.9771946 2 Mg 2.0482922 -0.0119756 0.0046361 0.0376282 1.9490374 -0.0657663 -0.0019951 -0.0023618 1.9771946 3 Mg 2.0482922 0.0119756 -0.0046361 -0.0376282 1.9490374 -0.0657663 0.0019951 -0.0023618 1.9771946 4 Mg 2.0482922 -0.0119756 0.0046361 0.0376282 1.9490374 -0.0657663 -0.0019951 -0.0023618 1.9771946 5 Mg 2.0482922 0.0119756 0.0046361 -0.0376282 1.9490374 0.0657663 -0.0019951 0.0023618 1.9771946 6 Mg 2.0482922 0.0119756 -0.0046361 -0.0376282 1.9490374 -0.0657663 0.0019951 -0.0023618 1.9771946 7 Mg 2.0482922 0.0119756 0.0046361 -0.0376282 1.9490374 0.0657663 -0.0019951 0.0023618 1.9771946 8 Mg 2.0482922 -0.0119756 -0.0046361 0.0376282 1.9490374 0.0657663 0.0019951 0.0023618 1.9771946 9 H -0.9764331 0.0210604 0.0820903 0.0402483 -0.9347255 -0.0291078 0.0398324 -0.0109343 -1.0293169 10 H -0.9764331 0.0210604 -0.0820903 0.0402483 -0.9347255 0.0291078 -0.0398324 0.0109343 -1.0293169 11 H -0.9764331 -0.0210604 -0.0820903 -0.0402483 -0.9347255 -0.0291078 -0.0398324 -0.0109343 -1.0293169 12 H -0.9764331 0.0210604 -0.0820903 0.0402483 -0.9347255 0.0291078 -0.0398324 0.0109343 -1.0293169 13 H -1.0718591 0.0353131 -0.0339084 0.0591952 -1.0143119 -0.0812726 -0.0428452 -0.0937051 -0.9478777 14 H -1.0718591 -0.0353131 -0.0339084 -0.0591952 -1.0143119 0.0812726 -0.0428452 0.0937051 -0.9478777 15 H -0.9764331 -0.0210604 0.0820903 -0.0402483 -0.9347255 0.0291078 0.0398324 0.0109343 -1.0293169 16 H -0.9764331 -0.0210604 -0.0820903 -0.0402483 -0.9347255 -0.0291078 -0.0398324 -0.0109343 -1.0293169 17 H -1.0718591 -0.0353131 0.0339084 -0.0591952 -1.0143119 -0.0812726 0.0428452 -0.0937051 -0.9478777 18 H -1.0718591 0.0353131 0.0339084 0.0591952 -1.0143119 0.0812726 0.0428452 0.0937051 -0.9478777 19 H -0.9764331 -0.0210604 0.0820903 -0.0402483 -0.9347255 0.0291078 0.0398324 0.0109343 -1.0293169 20 H -0.9764331 0.0210604 0.0820903 0.0402483 -0.9347255 -0.0291078 0.0398324 -0.0109343 -1.0293169 21 H -1.0718591 -0.0353131 -0.0339084 -0.0591952 -1.0143119 0.0812726 -0.0428452 0.0937051 -0.9478777 22 H -1.0718591 0.0353131 0.0339084 0.0591952 -1.0143119 0.0812726 0.0428452 0.0937051 -0.9478777 23 H -1.0718591 -0.0353131 0.0339084 -0.0591952 -1.0143119 -0.0812726 0.0428452 -0.0937051 -0.9478777 24 H -1.0718591 0.0353131 -0.0339084 0.0591952 -1.0143119 -0.0812726 -0.0428452 -0.0937051 -0.9478777 ---------------------------------------------------------------------------- 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 ... [ 11 5 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: 0.70, Number of G-points: 309, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 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 3.163 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.294 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 7.067 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.764 ( 0.000 0.000 0.000) 0.000 8.889 ( 0.000 0.000 0.000) 0.000 9.412 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.924 ( 0.000 0.000 0.000) 0.000 10.483 ( 0.000 0.000 0.000) 0.000 11.169 ( 0.000 0.000 0.000) 0.000 14.563 ( 0.000 0.000 0.000) 0.000 14.825 ( 0.000 0.000 0.000) 0.000 16.785 ( 0.000 0.000 0.000) 0.000 17.085 ( 0.000 0.000 0.000) 0.000 17.362 ( 0.000 0.000 0.000) 0.000 17.597 ( 0.000 0.000 0.000) 0.000 17.656 ( 0.000 0.000 0.000) 0.000 18.137 ( 0.000 0.000 0.000) 0.000 19.113 ( 0.000 0.000 0.000) 0.000 20.129 ( 0.000 0.000 0.000) 0.000 22.227 ( 0.000 0.000 0.000) 0.000 23.241 ( 0.000 0.000 0.000) 0.000 24.076 ( 0.000 0.000 0.000) 0.000 24.271 ( 0.000 0.000 0.000) 0.000 24.369 ( 0.000 0.000 0.000) 0.000 24.903 ( 0.000 0.000 0.000) 0.000 24.986 ( 0.000 0.000 0.000) 0.000 25.231 ( 0.000 0.000 0.000) 0.000 26.641 ( 0.000 0.000 0.000) 0.000 26.775 ( 0.000 0.000 0.000) 0.000 27.258 ( 0.000 0.000 0.000) 0.000 27.268 ( 0.000 0.000 0.000) 0.000 27.558 ( 0.000 0.000 0.000) 0.000 28.321 ( 0.000 0.000 0.000) 0.000 29.500 ( 0.000 0.000 0.000) 0.000 29.830 ( 0.000 0.000 0.000) 0.000 30.677 ( 0.000 0.000 0.000) 0.000 30.830 ( 0.000 0.000 0.000) 0.000 31.520 ( 0.000 0.000 0.000) 0.000 33.762 ( 0.000 0.000 0.000) 0.000 34.392 ( 0.000 0.000 0.000) 0.000 34.577 ( 0.000 0.000 0.000) 0.000 36.273 ( 0.000 0.000 0.000) 0.000 36.787 ( 0.000 0.000 0.000) 0.000 36.894 ( 0.000 0.000 0.000) 0.000 36.922 ( 0.000 0.000 0.000) 0.000 38.731 ( 0.000 0.000 0.000) 0.000 39.616 ( 0.000 0.000 0.000) 0.000 39.808 ( 0.000 0.000 0.000) 0.000 40.418 ( 0.000 0.000 0.000) 0.000 40.504 ( 0.000 0.000 0.000) 0.000 41.200 ( 0.000 0.000 0.000) 0.000 41.356 ( 0.000 0.000 0.000) 0.000 41.500 ( 0.000 0.000 0.000) 0.000 41.534 ( 0.000 0.000 0.000) 0.000 43.031 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 41.940 0.000 0.000) 41.940 0.922 ( 47.252 0.000 0.000) 47.252 1.380 ( 70.609 0.000 0.000) 70.609 3.221 ( 5.543 0.000 0.000) 5.543 4.294 ( 6.231 0.000 0.000) 6.231 4.713 ( 11.979 0.000 0.000) 11.979 4.932 ( -1.732 0.000 0.000) 1.732 5.235 ( 3.026 0.000 0.000) 3.026 5.283 ( -7.361 0.000 0.000) 7.361 5.359 ( -12.155 0.000 0.000) 12.155 5.959 ( -10.685 0.000 0.000) 10.685 6.067 ( 10.194 0.000 0.000) 10.194 6.191 ( -10.307 0.000 0.000) 10.307 6.339 ( -0.441 0.000 0.000) 0.441 6.531 ( 12.055 0.000 0.000) 12.055 6.754 ( 7.875 0.000 0.000) 7.875 7.125 ( 5.899 0.000 0.000) 5.899 7.822 ( 1.526 0.000 0.000) 1.526 8.102 ( -10.768 0.000 0.000) 10.768 8.768 ( 0.380 0.000 0.000) 0.380 9.298 ( -8.222 0.000 0.000) 8.222 9.403 ( -7.072 0.000 0.000) 7.072 9.902 ( -5.350 0.000 0.000) 5.350 10.411 ( -7.329 0.000 0.000) 7.329 11.583 ( 44.094 0.000 0.000) 44.094 13.446 ( 32.145 0.000 0.000) 32.145 15.161 ( 33.508 0.000 0.000) 33.508 16.768 ( -1.470 0.000 0.000) 1.470 17.041 ( -4.337 0.000 0.000) 4.337 17.628 ( 3.051 0.000 0.000) 3.051 17.698 ( 4.176 0.000 0.000) 4.176 17.762 ( 33.871 0.000 0.000) 33.871 18.150 ( 1.121 0.000 0.000) 1.121 19.669 ( 11.299 0.000 0.000) 11.299 19.852 ( 68.989 0.000 0.000) 68.989 20.541 ( 46.500 0.000 0.000) 46.500 22.230 ( -0.236 0.000 0.000) 0.236 23.136 ( -10.559 0.000 0.000) 10.559 24.080 ( 0.206 0.000 0.000) 0.206 24.338 ( -2.504 0.000 0.000) 2.504 24.911 ( 2.018 0.000 0.000) 2.018 24.918 ( -6.691 0.000 0.000) 6.691 25.236 ( 0.322 0.000 0.000) 0.322 25.521 ( 19.545 0.000 0.000) 19.545 26.702 ( 6.136 0.000 0.000) 6.136 26.719 ( -5.623 0.000 0.000) 5.623 27.238 ( 2.141 0.000 0.000) 2.141 27.616 ( 29.903 0.000 0.000) 29.903 28.316 ( -0.514 0.000 0.000) 0.514 29.463 ( -3.831 0.000 0.000) 3.831 29.869 ( 5.032 0.000 0.000) 5.032 30.678 ( 0.078 0.000 0.000) 0.078 30.885 ( 5.556 0.000 0.000) 5.556 31.520 ( 0.157 0.000 0.000) 0.157 33.632 ( -11.267 0.000 0.000) 11.267 34.314 ( -8.313 0.000 0.000) 8.313 34.333 ( 8.955 0.000 0.000) 8.955 34.495 ( -8.508 0.000 0.000) 8.508 36.309 ( 3.419 0.000 0.000) 3.419 36.785 ( 0.078 0.000 0.000) 0.078 36.956 ( 6.352 0.000 0.000) 6.352 36.982 ( 5.722 0.000 0.000) 5.722 38.626 ( -10.894 0.000 0.000) 10.894 39.531 ( -8.647 0.000 0.000) 8.647 39.803 ( -4.661 0.000 0.000) 4.661 40.408 ( -1.021 0.000 0.000) 1.021 40.463 ( -4.442 0.000 0.000) 4.442 41.193 ( -0.565 0.000 0.000) 0.565 41.313 ( -4.545 0.000 0.000) 4.545 41.492 ( -0.886 0.000 0.000) 0.886 41.547 ( 1.261 0.000 0.000) 1.261 42.958 ( -7.232 0.000 0.000) 7.232 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 40.839 0.000 0.000) 40.839 1.822 ( 45.308 0.000 0.000) 45.308 2.709 ( 65.596 0.000 0.000) 65.596 3.360 ( 8.565 0.000 0.000) 8.565 4.467 ( 11.291 0.000 0.000) 11.291 4.864 ( -5.077 0.000 0.000) 5.077 4.905 ( -2.674 0.000 0.000) 2.674 5.104 ( -10.716 0.000 0.000) 10.716 5.236 ( 10.136 0.000 0.000) 10.136 5.304 ( 3.579 0.000 0.000) 3.579 5.728 ( -12.100 0.000 0.000) 12.100 5.913 ( -17.798 0.000 0.000) 17.798 6.271 ( -6.989 0.000 0.000) 6.989 6.310 ( 14.555 0.000 0.000) 14.555 6.836 ( 18.748 0.000 0.000) 18.748 6.933 ( 9.734 0.000 0.000) 9.734 7.287 ( 10.356 0.000 0.000) 10.356 7.815 ( -18.121 0.000 0.000) 18.121 7.854 ( 1.367 0.000 0.000) 1.367 8.775 ( 0.159 0.000 0.000) 0.159 9.070 ( -15.051 0.000 0.000) 15.051 9.206 ( -12.912 0.000 0.000) 12.912 9.688 ( -15.576 0.000 0.000) 15.576 10.204 ( -13.920 0.000 0.000) 13.920 12.780 ( 74.211 0.000 0.000) 74.211 14.273 ( 50.741 0.000 0.000) 50.741 16.035 ( 53.229 0.000 0.000) 53.229 16.743 ( -0.144 0.000 0.000) 0.144 16.933 ( -6.276 0.000 0.000) 6.276 17.702 ( 4.169 0.000 0.000) 4.169 17.811 ( 7.354 0.000 0.000) 7.354 18.167 ( 0.095 0.000 0.000) 0.095 18.337 ( 21.349 0.000 0.000) 21.349 19.895 ( 14.031 0.000 0.000) 14.031 21.745 ( 118.292 0.000 0.000) 118.292 22.054 ( 107.394 0.000 0.000) 107.394 22.180 ( -6.222 0.000 0.000) 6.222 22.848 ( -18.722 0.000 0.000) 18.722 24.081 ( 0.125 0.000 0.000) 0.125 24.302 ( -0.474 0.000 0.000) 0.474 24.751 ( -9.829 0.000 0.000) 9.829 25.000 ( 7.122 0.000 0.000) 7.122 25.231 ( -1.188 0.000 0.000) 1.188 26.018 ( 31.033 0.000 0.000) 31.033 26.562 ( -10.423 0.000 0.000) 10.423 26.867 ( 10.552 0.000 0.000) 10.552 27.310 ( 4.870 0.000 0.000) 4.870 28.296 ( 33.805 0.000 0.000) 33.805 28.304 ( -0.685 0.000 0.000) 0.685 29.351 ( -7.755 0.000 0.000) 7.755 30.120 ( 24.707 0.000 0.000) 24.707 30.681 ( 0.187 0.000 0.000) 0.187 31.035 ( 9.592 0.000 0.000) 9.592 31.543 ( 3.263 0.000 0.000) 3.263 33.334 ( -18.562 0.000 0.000) 18.562 34.057 ( -18.679 0.000 0.000) 18.679 34.237 ( -18.604 0.000 0.000) 18.604 34.599 ( 18.472 0.000 0.000) 18.472 36.395 ( 5.172 0.000 0.000) 5.172 36.796 ( 1.019 0.000 0.000) 1.019 37.127 ( 8.913 0.000 0.000) 8.913 37.140 ( 12.663 0.000 0.000) 12.663 38.305 ( -22.367 0.000 0.000) 22.367 39.290 ( -15.906 0.000 0.000) 15.906 39.671 ( -8.896 0.000 0.000) 8.896 40.318 ( -11.038 0.000 0.000) 11.038 40.378 ( -1.981 0.000 0.000) 1.981 41.177 ( -9.438 0.000 0.000) 9.438 41.188 ( 0.208 0.000 0.000) 0.208 41.467 ( -1.632 0.000 0.000) 1.632 41.578 ( 1.899 0.000 0.000) 1.899 42.766 ( -12.108 0.000 0.000) 12.108 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 38.943 0.000 0.000) 38.943 2.663 ( 40.904 0.000 0.000) 40.904 3.557 ( 12.284 0.000 0.000) 12.284 3.866 ( 50.642 0.000 0.000) 50.642 4.695 ( -12.614 0.000 0.000) 12.614 4.702 ( 10.680 0.000 0.000) 10.680 4.780 ( -0.418 0.000 0.000) 0.418 4.876 ( -11.770 0.000 0.000) 11.770 5.358 ( 1.802 0.000 0.000) 1.802 5.517 ( -22.666 0.000 0.000) 22.666 5.537 ( -6.055 0.000 0.000) 6.055 5.663 ( 27.284 0.000 0.000) 27.284 6.066 ( -13.919 0.000 0.000) 13.919 6.614 ( 16.028 0.000 0.000) 16.028 7.111 ( 8.539 0.000 0.000) 8.539 7.240 ( 22.576 0.000 0.000) 22.576 7.343 ( -18.391 0.000 0.000) 18.391 7.590 ( 8.731 0.000 0.000) 8.731 7.858 ( -1.361 0.000 0.000) 1.361 8.727 ( -19.978 0.000 0.000) 19.978 8.767 ( -1.162 0.000 0.000) 1.162 8.922 ( -15.746 0.000 0.000) 15.746 9.339 ( -19.705 0.000 0.000) 19.705 9.878 ( -19.431 0.000 0.000) 19.431 14.273 ( 76.404 0.000 0.000) 76.404 15.319 ( 55.014 0.000 0.000) 55.014 16.641 ( 1.346 0.000 0.000) 1.346 16.813 ( -5.868 0.000 0.000) 5.868 17.248 ( 57.910 0.000 0.000) 57.910 17.767 ( 1.773 0.000 0.000) 1.773 17.975 ( 9.390 0.000 0.000) 9.390 18.128 ( -4.889 0.000 0.000) 4.889 18.609 ( 8.748 0.000 0.000) 8.748 20.205 ( 17.738 0.000 0.000) 17.738 21.944 ( -18.886 0.000 0.000) 18.886 22.432 ( -23.728 0.000 0.000) 23.728 24.044 ( 9.364 0.000 0.000) 9.364 24.078 ( 80.687 0.000 0.000) 80.687 24.436 ( 46.081 0.000 0.000) 46.081 24.496 ( 124.131 0.000 0.000) 124.131 24.562 ( -9.187 0.000 0.000) 9.187 25.176 ( -4.765 0.000 0.000) 4.765 25.209 ( 18.842 0.000 0.000) 18.842 26.328 ( -13.393 0.000 0.000) 13.393 26.709 ( 40.569 0.000 0.000) 40.569 27.096 ( 12.635 0.000 0.000) 12.635 27.416 ( 5.760 0.000 0.000) 5.760 28.293 ( -0.310 0.000 0.000) 0.310 28.721 ( 10.234 0.000 0.000) 10.234 29.156 ( -12.588 0.000 0.000) 12.588 30.683 ( -0.014 0.000 0.000) 0.014 30.809 ( 35.009 0.000 0.000) 35.009 31.245 ( 11.761 0.000 0.000) 11.761 31.793 ( 32.034 0.000 0.000) 32.034 32.948 ( -20.628 0.000 0.000) 20.628 33.565 ( -32.851 0.000 0.000) 32.851 33.755 ( -31.672 0.000 0.000) 31.672 35.042 ( 27.049 0.000 0.000) 27.049 36.502 ( 5.782 0.000 0.000) 5.782 36.818 ( 1.039 0.000 0.000) 1.039 37.300 ( 7.642 0.000 0.000) 7.642 37.446 ( 18.881 0.000 0.000) 18.881 37.751 ( -35.215 0.000 0.000) 35.215 38.939 ( -19.148 0.000 0.000) 19.148 39.462 ( -12.502 0.000 0.000) 12.502 40.022 ( -19.677 0.000 0.000) 19.677 40.337 ( -2.102 0.000 0.000) 2.102 40.954 ( -13.195 0.000 0.000) 13.195 41.204 ( 1.476 0.000 0.000) 1.476 41.430 ( -2.150 0.000 0.000) 2.150 41.624 ( 3.015 0.000 0.000) 3.015 42.510 ( -13.832 0.000 0.000) 13.832 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 36.315 0.000 0.000) 36.315 3.368 ( 30.448 0.000 0.000) 30.448 3.870 ( 21.219 0.000 0.000) 21.219 4.362 ( 1.724 0.000 0.000) 1.724 4.487 ( -8.359 0.000 0.000) 8.359 4.551 ( -16.740 0.000 0.000) 16.740 4.903 ( 2.933 0.000 0.000) 2.933 4.987 ( -15.586 0.000 0.000) 15.586 5.220 ( 28.562 0.000 0.000) 28.562 5.372 ( -0.139 0.000 0.000) 0.139 5.559 ( 9.166 0.000 0.000) 9.166 5.756 ( -16.715 0.000 0.000) 16.715 6.193 ( 25.011 0.000 0.000) 25.011 6.867 ( 8.187 0.000 0.000) 8.187 6.879 ( -26.062 0.000 0.000) 26.062 7.300 ( 12.808 0.000 0.000) 12.808 7.690 ( 23.004 0.000 0.000) 23.004 7.775 ( -8.297 0.000 0.000) 8.297 7.845 ( 13.873 0.000 0.000) 13.873 8.320 ( -20.982 0.000 0.000) 20.982 8.637 ( -12.298 0.000 0.000) 12.298 8.730 ( -2.293 0.000 0.000) 2.293 8.950 ( -19.651 0.000 0.000) 19.651 9.464 ( -22.891 0.000 0.000) 22.891 15.650 ( 64.329 0.000 0.000) 64.329 16.325 ( 47.103 0.000 0.000) 47.103 16.633 ( -0.686 0.000 0.000) 0.686 16.714 ( -4.160 0.000 0.000) 4.160 17.740 ( -5.538 0.000 0.000) 5.538 17.946 ( -14.577 0.000 0.000) 14.577 18.165 ( 9.954 0.000 0.000) 9.954 18.283 ( 35.972 0.000 0.000) 35.972 18.823 ( 24.420 0.000 0.000) 24.420 20.575 ( 20.351 0.000 0.000) 20.351 21.435 ( -33.501 0.000 0.000) 33.501 21.949 ( -25.619 0.000 0.000) 25.619 24.095 ( 2.526 0.000 0.000) 2.526 24.394 ( 8.293 0.000 0.000) 8.293 24.402 ( -7.469 0.000 0.000) 7.469 25.040 ( -9.323 0.000 0.000) 9.323 25.295 ( 14.345 0.000 0.000) 14.345 26.059 ( -13.959 0.000 0.000) 13.959 26.672 ( 88.906 0.000 0.000) 88.906 26.946 ( 112.663 0.000 0.000) 112.663 27.335 ( 11.351 0.000 0.000) 11.351 27.527 ( 6.773 0.000 0.000) 6.773 27.722 ( 74.645 0.000 0.000) 74.645 28.297 ( 0.811 0.000 0.000) 0.811 28.837 ( 7.750 0.000 0.000) 7.750 28.853 ( -19.006 0.000 0.000) 19.006 30.667 ( -2.444 0.000 0.000) 2.444 31.152 ( 6.796 0.000 0.000) 6.796 31.471 ( 10.380 0.000 0.000) 10.380 32.556 ( -19.447 0.000 0.000) 19.447 32.761 ( -50.008 0.000 0.000) 50.008 32.934 ( 75.647 0.000 0.000) 75.647 32.990 ( -47.532 0.000 0.000) 47.532 35.634 ( 33.531 0.000 0.000) 33.531 36.615 ( 5.833 0.000 0.000) 5.833 36.826 ( -0.487 0.000 0.000) 0.487 36.929 ( -49.835 0.000 0.000) 49.835 37.336 ( -7.098 0.000 0.000) 7.098 37.869 ( 24.759 0.000 0.000) 24.759 38.633 ( -9.209 0.000 0.000) 9.209 39.193 ( -15.018 0.000 0.000) 15.018 39.561 ( -27.408 0.000 0.000) 27.408 40.309 ( -0.345 0.000 0.000) 0.345 40.690 ( -13.319 0.000 0.000) 13.319 41.242 ( 2.247 0.000 0.000) 2.247 41.385 ( -2.430 0.000 0.000) 2.430 41.702 ( 5.207 0.000 0.000) 5.207 42.246 ( -13.055 0.000 0.000) 13.055 ======================= Grid point 5 (6/108) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.794 ( 32.444 0.000 0.000) 32.444 3.839 ( 20.149 0.000 0.000) 20.149 4.207 ( -18.397 0.000 0.000) 18.397 4.280 ( -10.959 0.000 0.000) 10.959 4.364 ( 26.953 0.000 0.000) 26.953 4.386 ( -1.699 0.000 0.000) 1.699 4.514 ( -21.180 0.000 0.000) 21.180 4.795 ( -14.874 0.000 0.000) 14.874 5.372 ( 0.897 0.000 0.000) 0.897 5.460 ( -9.776 0.000 0.000) 9.776 5.896 ( 21.961 0.000 0.000) 21.961 5.941 ( 34.104 0.000 0.000) 34.104 6.369 ( -25.990 0.000 0.000) 25.990 6.405 ( -9.478 0.000 0.000) 9.478 7.066 ( 18.865 0.000 0.000) 18.865 7.493 ( -20.697 0.000 0.000) 20.697 7.615 ( 18.026 0.000 0.000) 18.026 7.953 ( -17.098 0.000 0.000) 17.098 8.060 ( 11.795 0.000 0.000) 11.795 8.073 ( 8.127 0.000 0.000) 8.127 8.500 ( -0.758 0.000 0.000) 0.758 8.621 ( -12.832 0.000 0.000) 12.832 8.734 ( 5.824 0.000 0.000) 5.824 9.021 ( -21.397 0.000 0.000) 21.397 16.629 ( 0.430 0.000 0.000) 0.430 16.653 ( -2.147 0.000 0.000) 2.147 16.736 ( 47.364 0.000 0.000) 47.364 17.098 ( 32.219 0.000 0.000) 32.219 17.467 ( -26.753 0.000 0.000) 26.753 17.585 ( -19.984 0.000 0.000) 19.984 18.348 ( 8.448 0.000 0.000) 8.448 18.470 ( -3.106 0.000 0.000) 3.106 19.702 ( 52.521 0.000 0.000) 52.521 20.664 ( -45.534 0.000 0.000) 45.534 20.993 ( 22.790 0.000 0.000) 22.790 21.456 ( -24.907 0.000 0.000) 24.907 24.164 ( 4.597 0.000 0.000) 4.597 24.270 ( -6.175 0.000 0.000) 6.175 24.588 ( 11.580 0.000 0.000) 11.580 24.825 ( -12.303 0.000 0.000) 12.303 25.547 ( 12.648 0.000 0.000) 12.648 25.796 ( -13.170 0.000 0.000) 13.170 27.508 ( 6.006 0.000 0.000) 6.006 27.558 ( 0.753 0.000 0.000) 0.753 27.782 ( 38.902 0.000 0.000) 38.902 28.280 ( 14.692 0.000 0.000) 14.692 28.326 ( 1.818 0.000 0.000) 1.818 28.409 ( -27.127 0.000 0.000) 27.127 29.571 ( 69.011 0.000 0.000) 69.011 29.585 ( 100.540 0.000 0.000) 100.540 30.500 ( -20.572 0.000 0.000) 20.572 31.245 ( -59.875 0.000 0.000) 59.875 31.307 ( 14.572 0.000 0.000) 14.572 31.969 ( -52.569 0.000 0.000) 52.569 31.995 ( -3.494 0.000 0.000) 3.494 32.206 ( -16.335 0.000 0.000) 16.335 34.439 ( 76.313 0.000 0.000) 76.313 35.816 ( -64.856 0.000 0.000) 64.856 36.313 ( 35.576 0.000 0.000) 35.576 36.723 ( 5.177 0.000 0.000) 5.177 36.789 ( -3.958 0.000 0.000) 3.958 36.973 ( -27.893 0.000 0.000) 27.893 38.397 ( 29.396 0.000 0.000) 29.396 38.646 ( 8.989 0.000 0.000) 8.989 38.895 ( -15.136 0.000 0.000) 15.136 38.988 ( -30.883 0.000 0.000) 30.883 40.339 ( 3.791 0.000 0.000) 3.791 40.466 ( -9.313 0.000 0.000) 9.313 41.288 ( 2.498 0.000 0.000) 2.498 41.337 ( -2.527 0.000 0.000) 2.527 41.830 ( 8.033 0.000 0.000) 8.033 42.013 ( -10.847 0.000 0.000) 10.847 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.000 43.053 0.000) 43.053 1.032 ( 0.000 46.808 0.000) 46.808 1.673 ( 0.000 75.659 0.000) 75.659 3.009 ( 0.000 -15.248 0.000) 15.248 3.708 ( 0.000 -33.006 0.000) 33.006 4.975 ( 0.000 19.782 0.000) 19.782 5.009 ( 0.000 5.678 0.000) 5.678 5.103 ( 0.000 -10.426 0.000) 10.426 5.415 ( 0.000 5.324 0.000) 5.324 5.486 ( 0.000 -2.013 0.000) 2.013 5.976 ( 0.000 2.249 0.000) 2.249 6.065 ( 0.000 -1.959 0.000) 1.959 6.303 ( 0.000 -8.527 0.000) 8.527 6.354 ( 0.000 2.131 0.000) 2.131 6.376 ( 0.000 -45.954 0.000) 45.954 6.413 ( 0.000 10.697 0.000) 10.697 6.624 ( 0.000 -3.745 0.000) 3.745 7.619 ( 0.000 -17.019 0.000) 17.019 8.681 ( 0.000 29.286 0.000) 29.286 8.854 ( 0.000 7.635 0.000) 7.635 9.094 ( 0.000 19.337 0.000) 19.337 9.419 ( 0.000 -4.840 0.000) 4.840 9.603 ( 0.000 15.358 0.000) 15.358 9.834 ( 0.000 -8.137 0.000) 8.137 10.408 ( 0.000 -7.143 0.000) 7.143 10.992 ( 0.000 -15.818 0.000) 15.818 14.607 ( 0.000 3.991 0.000) 3.991 14.993 ( 0.000 -4.124 0.000) 4.124 17.122 ( 0.000 3.557 0.000) 3.557 17.463 ( 0.000 9.200 0.000) 9.200 17.598 ( 0.000 -5.384 0.000) 5.384 17.664 ( 0.000 5.744 0.000) 5.744 18.085 ( 0.000 -4.360 0.000) 4.360 18.634 ( 0.000 -21.781 0.000) 21.781 19.463 ( 0.000 15.204 0.000) 15.204 20.085 ( 0.000 -4.008 0.000) 4.008 22.328 ( 0.000 8.827 0.000) 8.827 23.142 ( 0.000 -8.793 0.000) 8.793 24.291 ( 0.000 1.752 0.000) 1.752 24.388 ( 0.000 0.777 0.000) 0.777 24.999 ( 0.000 5.399 0.000) 5.399 25.137 ( 0.000 21.524 0.000) 21.524 25.524 ( 0.000 21.923 0.000) 21.923 26.258 ( 0.000 -23.204 0.000) 23.204 26.878 ( 0.000 -2.761 0.000) 2.761 27.062 ( 0.000 -17.990 0.000) 17.990 27.138 ( 0.000 4.187 0.000) 4.187 27.536 ( 0.000 -3.015 0.000) 3.015 28.410 ( 0.000 8.918 0.000) 8.918 29.381 ( 0.000 -10.481 0.000) 10.481 29.793 ( 0.000 -2.656 0.000) 2.656 29.854 ( 0.000 -2.563 0.000) 2.563 30.706 ( 0.000 2.306 0.000) 2.306 30.825 ( 0.000 -0.522 0.000) 0.522 33.772 ( 0.000 0.888 0.000) 0.888 33.865 ( 0.000 -1.070 0.000) 1.070 34.409 ( 0.000 1.518 0.000) 1.518 34.558 ( 0.000 -1.608 0.000) 1.608 36.319 ( 0.000 4.165 0.000) 4.165 36.796 ( 0.000 0.827 0.000) 0.827 36.813 ( 0.000 -6.856 0.000) 6.856 36.905 ( 0.000 -1.496 0.000) 1.496 38.787 ( 0.000 5.109 0.000) 5.109 39.468 ( 0.000 -11.541 0.000) 11.541 39.899 ( 0.000 7.639 0.000) 7.639 40.383 ( 0.000 -3.235 0.000) 3.235 40.643 ( 0.000 10.763 0.000) 10.763 41.243 ( 0.000 3.730 0.000) 3.730 41.293 ( 0.000 -5.518 0.000) 5.518 41.517 ( 0.000 -1.766 0.000) 1.766 43.038 ( 0.000 0.671 0.000) 0.671 43.121 ( 0.000 -1.046 0.000) 1.046 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.09 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 28.349 30.244 0.000) 41.453 1.322 ( 26.445 37.041 0.000) 45.512 2.192 ( 45.905 57.365 0.000) 73.471 3.072 ( 6.346 -13.681 0.000) 15.081 3.809 ( 10.064 -31.684 0.000) 33.244 4.949 ( -4.129 1.050 0.000) 4.261 5.048 ( 6.014 16.774 0.000) 17.819 5.210 ( 6.124 -3.293 0.000) 6.953 5.302 ( -10.044 1.230 0.000) 10.119 5.380 ( -7.968 3.472 0.000) 8.691 5.968 ( -8.271 0.477 0.000) 8.285 6.040 ( 5.583 -2.250 0.000) 6.019 6.283 ( -9.465 2.208 0.000) 9.720 6.344 ( -1.444 -3.317 0.000) 3.618 6.461 ( 13.834 -1.725 0.000) 13.941 6.505 ( 9.433 -36.029 0.000) 37.244 6.738 ( 10.800 -2.008 0.000) 10.985 7.566 ( -5.541 -18.494 0.000) 19.306 8.594 ( -8.191 28.715 0.000) 29.860 8.847 ( -0.688 6.765 0.000) 6.799 9.355 ( -6.560 -4.377 0.000) 7.886 9.479 ( -7.953 14.204 0.000) 16.279 9.747 ( -3.387 -13.567 0.000) 13.984 10.337 ( -7.207 -6.760 0.000) 9.881 11.401 ( 58.296 -17.803 0.000) 60.954 12.050 ( 126.082 -73.616 0.000) 146.000 15.092 ( 39.732 -2.990 0.000) 39.844 15.583 ( 55.214 -29.584 0.000) 62.640 17.084 ( -3.637 4.174 0.000) 5.537 17.619 ( 2.112 -5.769 0.000) 6.144 17.704 ( 3.798 5.077 0.000) 6.340 17.846 ( 31.778 7.877 0.000) 32.740 18.104 ( 1.842 -3.844 0.000) 4.262 18.934 ( 20.264 -25.963 0.000) 32.935 19.952 ( 60.822 10.087 0.000) 61.652 20.524 ( 47.789 -4.031 0.000) 47.959 22.318 ( -1.471 7.766 0.000) 7.904 23.049 ( -9.415 -7.792 0.000) 12.221 24.291 ( -0.203 4.456 0.000) 4.461 24.381 ( -0.224 2.077 0.000) 2.089 24.958 ( -4.170 6.696 0.000) 7.888 25.160 ( 2.254 20.948 0.000) 21.069 25.511 ( -1.274 21.427 0.000) 21.465 26.270 ( 0.824 -23.519 0.000) 23.534 26.626 ( -25.186 37.633 0.000) 45.283 26.869 ( -0.502 -2.709 0.000) 2.756 27.147 ( -1.970 -5.105 0.000) 5.472 27.609 ( 27.384 -0.263 0.000) 27.386 28.396 ( -1.386 8.268 0.000) 8.383 29.346 ( -3.595 -10.325 0.000) 10.933 29.852 ( 7.330 -0.694 0.000) 7.363 30.708 ( 46.710 -40.960 0.000) 62.125 30.708 ( 0.356 2.581 0.000) 2.606 30.878 ( 5.217 -0.831 0.000) 5.283 33.644 ( -11.656 1.047 0.000) 11.703 33.893 ( 4.859 -13.376 0.000) 14.231 34.330 ( -8.342 1.491 0.000) 8.474 34.477 ( -8.502 -1.597 0.000) 8.650 36.358 ( 3.723 4.442 0.000) 5.796 36.800 ( 0.643 1.377 0.000) 1.520 36.879 ( 6.374 -7.026 0.000) 9.487 36.959 ( 5.205 -1.998 0.000) 5.576 38.683 ( -10.744 5.235 0.000) 11.952 39.381 ( -8.875 -11.746 0.000) 14.722 39.870 ( -3.252 7.279 0.000) 7.973 40.368 ( -1.515 -3.498 0.000) 3.812 40.601 ( -4.484 10.736 0.000) 11.635 41.224 ( -2.388 0.040 0.000) 2.388 41.267 ( -2.342 -1.511 0.000) 2.787 41.527 ( 1.016 -1.975 0.000) 2.221 42.465 ( -39.801 34.826 0.000) 52.887 42.961 ( -8.118 0.062 0.000) 8.118 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.18 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( 34.611 26.043 0.000) 43.315 1.934 ( 37.759 13.166 0.000) 39.988 3.174 ( 37.369 18.072 0.000) 41.509 3.264 ( 27.199 9.097 0.000) 28.680 4.074 ( 16.448 -28.015 0.000) 32.487 4.865 ( -4.622 -0.009 0.000) 4.622 4.995 ( -12.110 3.133 0.000) 12.508 5.100 ( -10.410 -0.468 0.000) 10.421 5.299 ( 3.131 -0.429 0.000) 3.160 5.425 ( 13.843 14.712 0.000) 20.201 5.762 ( -11.155 3.182 0.000) 11.600 6.032 ( -16.026 9.593 0.000) 18.678 6.161 ( 0.079 -6.671 0.000) 6.671 6.302 ( 3.449 -5.193 0.000) 6.234 6.752 ( 15.416 -36.832 0.000) 39.928 6.797 ( 19.543 0.594 0.000) 19.552 6.987 ( 13.916 1.781 0.000) 14.030 7.397 ( -12.185 -20.301 0.000) 23.677 8.419 ( -9.066 25.457 0.000) 27.023 8.825 ( -1.704 4.338 0.000) 4.660 9.172 ( -12.040 -3.120 0.000) 12.438 9.254 ( -14.790 14.494 0.000) 20.708 9.558 ( -14.462 -11.254 0.000) 18.325 10.130 ( -13.945 -6.740 0.000) 15.488 12.736 ( 78.146 -2.879 0.000) 78.199 13.805 ( 69.653 -36.851 0.000) 78.800 16.030 ( 55.329 0.226 0.000) 55.329 16.490 ( 32.519 -16.204 0.000) 36.333 16.994 ( -5.316 5.627 0.000) 7.741 17.675 ( 3.373 -7.424 0.000) 8.154 17.797 ( 5.363 3.757 0.000) 6.548 18.145 ( 2.026 -2.172 0.000) 2.971 18.364 ( 18.596 3.411 0.000) 18.906 19.332 ( 22.422 -31.979 0.000) 39.056 21.756 ( 116.401 2.464 0.000) 116.427 22.045 ( 107.392 -2.221 0.000) 107.415 22.237 ( -7.920 5.266 0.000) 9.511 22.786 ( -17.396 -5.649 0.000) 18.290 24.294 ( 1.448 8.980 0.000) 9.096 24.393 ( 1.461 6.242 0.000) 6.410 24.847 ( -6.824 10.099 0.000) 12.188 25.229 ( 5.154 20.235 0.000) 20.881 25.475 ( -2.672 20.119 0.000) 20.296 26.261 ( -2.576 -21.469 0.000) 21.623 26.487 ( 8.274 31.301 0.000) 32.376 26.884 ( 2.724 -5.061 0.000) 5.748 27.189 ( 5.058 -8.666 0.000) 10.034 28.212 ( 28.340 -7.996 0.000) 29.447 28.360 ( -2.285 6.358 0.000) 6.756 29.241 ( -7.363 -9.927 0.000) 12.359 30.176 ( 29.248 5.833 0.000) 29.824 30.722 ( 1.067 3.735 0.000) 3.884 31.016 ( 8.784 -1.921 0.000) 8.991 31.307 ( 19.629 -19.768 0.000) 27.858 33.354 ( -17.232 1.925 0.000) 17.339 34.073 ( -18.693 1.446 0.000) 18.749 34.126 ( 19.407 -29.856 0.000) 35.609 34.219 ( -18.628 -1.602 0.000) 18.697 36.452 ( 5.724 5.193 0.000) 7.729 36.824 ( 1.742 2.537 0.000) 3.078 37.052 ( 11.428 -7.865 0.000) 13.873 37.092 ( 8.093 -3.150 0.000) 8.684 38.368 ( -21.879 5.755 0.000) 22.623 39.131 ( -16.736 -12.593 0.000) 20.944 39.766 ( -7.414 8.282 0.000) 11.115 40.328 ( -2.551 -4.348 0.000) 5.041 40.458 ( -10.704 10.929 0.000) 15.298 41.114 ( -8.963 -5.281 0.000) 10.403 41.243 ( 0.053 4.352 0.000) 4.352 41.554 ( 1.782 -2.260 0.000) 2.878 41.931 ( -17.525 29.877 0.000) 34.637 42.750 ( -13.000 -1.718 0.000) 13.113 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( 35.456 19.400 0.000) 40.416 2.672 ( 37.392 3.441 0.000) 37.550 3.452 ( 13.789 -9.160 0.000) 16.554 4.177 ( 39.141 23.283 0.000) 45.542 4.394 ( 13.501 -21.823 0.000) 25.662 4.777 ( -6.849 2.707 0.000) 7.364 4.809 ( 2.855 2.363 0.000) 3.707 4.890 ( -11.181 1.045 0.000) 11.229 5.331 ( -0.265 1.182 0.000) 1.211 5.481 ( -9.293 0.031 0.000) 9.293 5.691 ( -17.514 13.268 0.000) 21.972 5.848 ( 16.781 9.047 0.000) 19.065 5.985 ( -9.583 -5.103 0.000) 10.857 6.535 ( 15.624 -6.859 0.000) 17.063 7.057 ( 2.908 -29.077 0.000) 29.222 7.109 ( -5.045 -21.731 0.000) 22.309 7.157 ( 15.001 4.217 0.000) 15.583 7.286 ( 18.853 2.929 0.000) 19.079 8.252 ( -8.414 19.958 0.000) 21.659 8.778 ( -3.296 1.006 0.000) 3.446 8.905 ( -14.755 -1.466 0.000) 14.828 8.923 ( -18.882 15.097 0.000) 24.175 9.230 ( -18.587 -9.416 0.000) 20.836 9.805 ( -19.243 -6.640 0.000) 20.356 14.266 ( 76.640 0.107 0.000) 76.640 15.028 ( 57.718 -21.364 0.000) 61.545 16.825 ( 15.078 12.662 0.000) 19.690 16.890 ( -5.196 7.080 0.000) 8.782 17.235 ( 56.821 -1.222 0.000) 56.834 17.730 ( 1.505 -9.381 0.000) 9.501 17.888 ( 3.246 1.345 0.000) 3.514 18.173 ( 0.981 0.891 0.000) 1.325 18.616 ( 9.832 1.849 0.000) 10.004 19.797 ( 25.169 -30.198 0.000) 39.312 21.976 ( -19.638 3.185 0.000) 19.895 22.387 ( -23.535 -4.230 0.000) 23.912 23.960 ( 65.564 1.604 0.000) 65.584 24.335 ( 64.606 -4.694 0.000) 64.777 24.480 ( 61.433 18.490 0.000) 64.155 24.641 ( 75.016 8.783 0.000) 75.528 24.712 ( -6.811 13.813 0.000) 15.401 25.378 ( 12.426 16.460 0.000) 20.624 25.392 ( -6.232 17.987 0.000) 19.036 26.163 ( -7.102 -13.805 0.000) 15.524 26.819 ( 23.530 5.667 0.000) 24.202 26.984 ( 7.185 -11.569 0.000) 13.619 27.333 ( 10.525 -3.668 0.000) 11.146 28.313 ( -2.387 3.369 0.000) 4.129 28.564 ( 8.922 -14.080 0.000) 16.669 29.057 ( -11.713 -9.107 0.000) 14.837 30.745 ( 1.154 5.598 0.000) 5.715 30.905 ( 34.317 8.676 0.000) 35.396 31.207 ( 10.652 -3.574 0.000) 11.236 31.709 ( 30.575 -7.598 0.000) 31.505 33.041 ( -12.104 8.706 0.000) 14.910 33.582 ( -32.732 1.518 0.000) 32.767 33.736 ( -31.760 -1.699 0.000) 31.806 34.625 ( 31.435 -32.633 0.000) 45.311 36.572 ( 6.540 6.349 0.000) 9.115 36.857 ( 1.200 3.522 0.000) 3.721 37.244 ( 6.339 -4.813 0.000) 7.959 37.321 ( 16.242 -10.544 0.000) 19.364 37.832 ( -33.535 7.332 0.000) 34.328 38.753 ( -21.324 -14.757 0.000) 25.932 39.591 ( -10.311 10.658 0.000) 14.830 40.178 ( -18.128 12.113 0.000) 21.803 40.275 ( -2.680 -5.424 0.000) 6.050 40.893 ( -13.385 -5.566 0.000) 14.497 41.262 ( 1.825 4.940 0.000) 5.266 41.599 ( 3.021 -2.342 0.000) 3.822 41.690 ( -8.864 19.637 0.000) 21.545 42.481 ( -14.235 -2.889 0.000) 14.525 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.36 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.287 ( 33.200 14.313 0.000) 36.154 3.339 ( 30.133 -0.742 0.000) 30.142 3.780 ( 20.748 -7.430 0.000) 22.038 4.438 ( -5.087 -5.869 0.000) 7.767 4.456 ( -1.775 7.082 0.000) 7.301 4.622 ( -14.474 5.981 0.000) 15.661 4.874 ( 7.518 -2.192 0.000) 7.831 5.047 ( -3.687 -7.956 0.000) 8.769 5.222 ( -2.614 16.925 0.000) 17.125 5.395 ( 4.161 -10.807 0.000) 11.580 5.619 ( -18.853 -10.424 0.000) 21.543 5.624 ( 19.469 17.836 0.000) 26.404 6.331 ( 21.899 9.363 0.000) 23.817 6.662 ( -23.945 -17.046 0.000) 29.392 6.839 ( 14.873 -3.682 0.000) 15.322 7.378 ( 9.640 7.249 0.000) 12.061 7.382 ( 12.744 -24.659 0.000) 27.758 7.702 ( 22.252 0.619 0.000) 22.260 8.067 ( -11.774 12.668 0.000) 17.295 8.560 ( -16.997 15.662 0.000) 23.113 8.628 ( -11.703 -0.527 0.000) 11.715 8.711 ( -3.853 -1.677 0.000) 4.202 8.863 ( -18.551 -7.297 0.000) 19.934 9.398 ( -22.266 -5.953 0.000) 23.048 15.627 ( 62.588 -1.550 0.000) 62.607 16.001 ( 40.664 -16.079 0.000) 43.728 16.796 ( -4.565 7.459 0.000) 8.745 17.042 ( 11.387 23.591 0.000) 26.196 17.685 ( -7.742 -10.870 0.000) 13.346 17.875 ( -5.568 2.606 0.000) 6.148 18.183 ( 29.983 -9.070 0.000) 31.325 18.212 ( 3.819 1.019 0.000) 3.953 18.917 ( 30.335 9.193 0.000) 31.698 20.298 ( 26.378 -22.539 0.000) 34.696 21.467 ( -32.840 3.171 0.000) 32.993 21.890 ( -27.177 -5.159 0.000) 27.662 24.282 ( 5.296 13.845 0.000) 14.823 24.518 ( 7.896 9.240 0.000) 12.154 24.588 ( -5.993 16.374 0.000) 17.436 25.224 ( -11.104 14.730 0.000) 18.447 25.472 ( 11.320 16.430 0.000) 19.952 26.008 ( -8.506 -3.959 0.000) 9.382 26.650 ( 76.490 -1.230 0.000) 76.500 26.960 ( 113.947 0.588 0.000) 113.949 27.135 ( 7.578 -17.915 0.000) 19.452 27.318 ( 27.065 -15.810 0.000) 31.344 27.809 ( 56.926 5.636 0.000) 57.204 28.272 ( -1.816 -0.476 0.000) 1.878 28.691 ( 10.190 -12.899 0.000) 16.439 28.783 ( -16.646 -7.048 0.000) 18.077 30.750 ( -1.595 7.519 0.000) 7.686 31.240 ( 6.717 8.167 0.000) 10.574 31.408 ( 8.744 -5.827 0.000) 10.507 32.257 ( 3.763 -18.295 0.000) 18.678 32.783 ( -49.485 2.008 0.000) 49.526 32.969 ( -47.545 -1.866 0.000) 47.582 33.299 ( 52.485 24.407 0.000) 57.883 35.313 ( 38.710 -26.867 0.000) 47.120 36.701 ( 6.664 7.780 0.000) 10.244 36.800 ( -16.481 0.713 0.000) 16.497 37.095 ( -30.231 10.487 0.000) 31.998 37.268 ( -10.745 -4.252 0.000) 11.556 37.671 ( 19.390 -15.626 0.000) 24.902 38.380 ( -14.221 -19.212 0.000) 23.903 39.385 ( -10.267 14.897 0.000) 18.093 39.774 ( -22.523 15.628 0.000) 27.414 40.237 ( -0.821 -6.454 0.000) 6.506 40.621 ( -13.799 -6.246 0.000) 15.147 41.310 ( 2.971 5.760 0.000) 6.481 41.553 ( -5.831 13.374 0.000) 14.590 41.677 ( 5.186 -2.353 0.000) 5.695 42.214 ( -13.031 -3.135 0.000) 13.402 ======================= Grid point 16 (12/108) ======================= q-point: ( 0.45 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.814 ( 19.210 -0.624 0.000) 19.220 3.863 ( 22.626 6.146 0.000) 23.446 4.211 ( 18.003 -8.682 0.000) 19.988 4.299 ( -10.452 4.835 0.000) 11.516 4.387 ( -4.654 2.720 0.000) 5.391 4.387 ( -4.736 7.779 0.000) 9.107 4.713 ( -13.630 11.888 0.000) 18.086 4.831 ( -12.292 3.720 0.000) 12.843 5.240 ( 0.540 -7.321 0.000) 7.341 5.312 ( -9.545 -11.842 0.000) 15.210 5.683 ( 22.191 -16.448 0.000) 27.622 6.101 ( -1.185 -3.848 0.000) 4.026 6.246 ( 3.343 5.559 0.000) 6.487 6.542 ( -4.909 10.458 0.000) 11.553 7.151 ( 19.447 2.432 0.000) 19.598 7.473 ( -7.243 -10.569 0.000) 12.812 7.581 ( 11.354 1.346 0.000) 11.433 7.800 ( -12.997 3.426 0.000) 13.441 8.090 ( 16.067 0.659 0.000) 16.081 8.312 ( -9.278 10.217 0.000) 13.800 8.485 ( -2.488 -0.560 0.000) 2.551 8.559 ( -10.993 -4.279 0.000) 11.797 8.701 ( 5.521 -2.984 0.000) 6.276 8.973 ( -20.337 -4.402 0.000) 20.808 16.516 ( 17.198 -5.392 0.000) 18.023 16.691 ( 43.100 -4.470 0.000) 43.331 16.703 ( -5.728 4.758 0.000) 7.446 17.343 ( 18.930 17.725 0.000) 25.933 17.369 ( -25.694 -9.068 0.000) 27.247 17.680 ( -14.219 8.822 0.000) 16.734 18.309 ( 5.307 -3.951 0.000) 6.617 18.381 ( -0.686 -8.207 0.000) 8.236 19.787 ( 50.408 7.988 0.000) 51.037 20.716 ( -44.195 4.941 0.000) 44.471 20.817 ( 27.279 -14.702 0.000) 30.988 21.353 ( -27.922 -8.732 0.000) 29.255 24.377 ( 4.903 17.157 0.000) 17.844 24.477 ( -5.472 17.542 0.000) 18.376 24.717 ( 12.352 9.831 0.000) 15.786 24.977 ( -13.787 11.671 0.000) 18.064 25.666 ( 9.372 11.411 0.000) 14.766 25.841 ( -8.747 4.863 0.000) 10.008 27.223 ( 6.833 -23.066 0.000) 24.057 27.245 ( 3.066 -22.173 0.000) 22.384 27.861 ( 26.724 1.015 0.000) 26.743 28.222 ( -6.103 -5.090 0.000) 7.947 28.225 ( 14.944 -5.357 0.000) 15.875 28.431 ( -17.230 -2.579 0.000) 17.422 29.546 ( 78.739 -1.189 0.000) 78.748 29.587 ( 96.792 -0.285 0.000) 96.792 30.579 ( -22.957 7.269 0.000) 24.080 31.199 ( -54.292 -4.470 0.000) 54.476 31.375 ( 11.841 6.229 0.000) 13.379 31.960 ( -46.289 -0.719 0.000) 46.295 31.976 ( -14.517 -1.361 0.000) 14.580 32.097 ( -11.984 -9.320 0.000) 15.182 34.602 ( 71.246 14.359 0.000) 72.678 35.902 ( -61.130 7.779 0.000) 61.623 36.089 ( 40.264 -19.175 0.000) 44.597 36.797 ( -27.311 -9.023 0.000) 28.763 36.824 ( 5.807 9.129 0.000) 10.820 36.937 ( -9.427 7.134 0.000) 11.822 38.030 ( 15.832 -23.289 0.000) 28.161 38.226 ( -5.275 -24.866 0.000) 25.419 39.244 ( -2.193 21.570 0.000) 21.681 39.376 ( -15.887 22.021 0.000) 27.154 40.260 ( 3.648 -7.103 0.000) 7.985 40.388 ( -9.622 -6.994 0.000) 11.896 41.375 ( 3.716 7.220 0.000) 8.120 41.454 ( -4.503 9.592 0.000) 10.596 41.804 ( 7.896 -2.519 0.000) 8.288 41.984 ( -10.663 -2.860 0.000) 11.040 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.000 36.364 0.000) 36.364 2.018 ( 0.000 43.752 0.000) 43.752 2.530 ( 0.000 -26.527 0.000) 26.527 2.920 ( 0.000 -39.166 0.000) 39.166 3.266 ( 0.000 68.262 0.000) 68.262 4.563 ( 0.000 -45.266 0.000) 45.266 5.178 ( 0.000 10.040 0.000) 10.040 5.291 ( 0.000 8.885 0.000) 8.885 5.420 ( 0.000 -4.106 0.000) 4.106 5.516 ( 0.000 -25.736 0.000) 25.736 5.628 ( 0.000 14.155 0.000) 14.155 5.939 ( 0.000 -11.710 0.000) 11.710 6.037 ( 0.000 3.077 0.000) 3.077 6.118 ( 0.000 -5.549 0.000) 5.549 6.423 ( 0.000 4.188 0.000) 4.188 6.526 ( 0.000 -4.950 0.000) 4.950 6.736 ( 0.000 18.396 0.000) 18.396 7.179 ( 0.000 -21.575 0.000) 21.575 9.058 ( 0.000 10.272 0.000) 10.272 9.200 ( 0.000 19.777 0.000) 19.777 9.269 ( 0.000 -8.699 0.000) 8.699 9.580 ( 0.000 -14.976 0.000) 14.976 9.678 ( 0.000 29.186 0.000) 29.186 9.999 ( 0.000 20.783 0.000) 20.783 10.168 ( 0.000 -15.575 0.000) 15.575 10.524 ( 0.000 -25.658 0.000) 25.658 14.725 ( 0.000 6.517 0.000) 6.517 14.872 ( 0.000 -6.599 0.000) 6.599 17.245 ( 0.000 7.642 0.000) 7.642 17.434 ( 0.000 -9.016 0.000) 9.016 17.748 ( 0.000 16.610 0.000) 16.610 17.815 ( 0.000 7.468 0.000) 7.468 17.967 ( 0.000 -6.303 0.000) 6.303 18.163 ( 0.000 -21.003 0.000) 21.003 19.750 ( 0.000 11.340 0.000) 11.340 19.957 ( 0.000 -7.756 0.000) 7.756 22.580 ( 0.000 13.673 0.000) 13.673 22.887 ( 0.000 -13.795 0.000) 13.795 24.338 ( 0.000 2.332 0.000) 2.332 24.381 ( 0.000 -1.374 0.000) 1.374 25.261 ( 0.000 18.029 0.000) 18.029 25.732 ( 0.000 -24.128 0.000) 24.128 25.774 ( 0.000 34.535 0.000) 34.535 26.070 ( 0.000 26.689 0.000) 26.689 26.516 ( 0.000 -31.398 0.000) 31.398 26.606 ( 0.000 -20.663 0.000) 20.663 27.263 ( 0.000 6.995 0.000) 6.995 27.421 ( 0.000 -6.999 0.000) 6.999 28.702 ( 0.000 16.764 0.000) 16.764 29.078 ( 0.000 -16.609 0.000) 16.609 29.756 ( 0.000 -0.092 0.000) 0.092 29.790 ( 0.000 -2.803 0.000) 2.803 30.761 ( 0.000 2.437 0.000) 2.437 30.804 ( 0.000 -1.465 0.000) 1.465 33.799 ( 0.000 1.526 0.000) 1.526 33.834 ( 0.000 -1.639 0.000) 1.639 34.454 ( 0.000 2.510 0.000) 2.510 34.511 ( 0.000 -2.569 0.000) 2.569 36.448 ( 0.000 7.500 0.000) 7.500 36.632 ( 0.000 -9.015 0.000) 9.015 36.823 ( 0.000 1.635 0.000) 1.635 36.864 ( 0.000 -2.045 0.000) 2.045 38.949 ( 0.000 9.618 0.000) 9.618 39.194 ( 0.000 -12.608 0.000) 12.608 40.094 ( 0.000 9.383 0.000) 9.383 40.274 ( 0.000 -6.806 0.000) 6.806 40.897 ( 0.000 11.715 0.000) 11.715 41.129 ( 0.000 -9.347 0.000) 9.347 41.346 ( 0.000 5.250 0.000) 5.250 41.452 ( 0.000 -4.152 0.000) 4.152 43.059 ( 0.000 1.297 0.000) 1.297 43.091 ( 0.000 -1.531 0.000) 1.531 ======================= Grid point 23 (14/108) ======================= q-point: ( 0.09 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 14.490 32.803 0.000) 35.861 2.189 ( 16.825 40.828 0.000) 44.159 2.627 ( 9.283 -25.190 0.000) 26.846 3.049 ( 12.779 -37.767 0.000) 39.870 3.533 ( 25.961 60.984 0.000) 66.280 4.671 ( 7.749 -36.201 0.000) 37.022 5.225 ( 5.235 8.342 0.000) 9.848 5.252 ( -6.213 3.753 0.000) 7.259 5.301 ( -11.010 -1.225 0.000) 11.078 5.580 ( 6.521 -28.280 0.000) 29.022 5.606 ( 1.987 14.874 0.000) 15.006 5.888 ( 1.578 -9.206 0.000) 9.340 6.045 ( -4.302 3.301 0.000) 5.422 6.168 ( -0.460 -8.373 0.000) 8.385 6.538 ( 13.137 5.757 0.000) 14.344 6.655 ( -7.760 18.673 0.000) 20.221 6.660 ( 13.262 -4.960 0.000) 14.160 7.109 ( -7.035 -22.130 0.000) 23.221 9.029 ( -2.935 9.205 0.000) 9.662 9.120 ( -10.611 18.585 0.000) 21.400 9.219 ( -5.095 -7.845 0.000) 9.354 9.436 ( -4.979 -12.972 0.000) 13.895 9.816 ( -6.956 15.476 0.000) 16.967 10.125 ( -6.758 -12.467 0.000) 14.181 11.058 ( 90.921 -2.195 0.000) 90.947 11.269 ( 78.545 -18.114 0.000) 80.607 15.120 ( 38.310 4.766 0.000) 38.606 15.266 ( 39.099 -8.554 0.000) 40.024 17.224 ( -1.984 8.548 0.000) 8.775 17.435 ( 0.091 -10.051 0.000) 10.052 17.849 ( 3.289 7.315 0.000) 8.020 17.997 ( 2.841 -5.987 0.000) 6.627 18.093 ( 27.527 14.584 0.000) 31.152 18.464 ( 22.125 -19.217 0.000) 29.306 20.185 ( 52.097 10.532 0.000) 53.151 20.390 ( 49.023 -8.042 0.000) 49.678 22.543 ( -4.144 12.298 0.000) 12.977 22.821 ( -6.946 -12.479 0.000) 14.281 24.358 ( 1.956 2.337 0.000) 3.047 24.394 ( 1.736 -0.760 0.000) 1.895 25.245 ( -1.592 19.084 0.000) 19.150 25.735 ( 0.162 -24.759 0.000) 24.759 25.781 ( 1.089 33.829 0.000) 33.847 26.054 ( -1.517 26.809 0.000) 26.852 26.497 ( -0.769 -28.730 0.000) 28.740 26.594 ( -1.035 -20.904 0.000) 20.929 27.367 ( 3.868 13.270 0.000) 13.822 27.564 ( 17.968 -5.120 0.000) 18.683 28.676 ( -2.706 16.340 0.000) 16.563 29.046 ( -3.312 -16.475 0.000) 16.804 29.889 ( 15.122 5.177 0.000) 15.984 30.114 ( 30.591 -16.661 0.000) 34.834 30.777 ( 1.780 3.420 0.000) 3.856 30.843 ( 3.846 -2.417 0.000) 4.542 33.677 ( -11.277 1.997 0.000) 11.452 33.737 ( -8.089 -3.881 0.000) 8.972 34.375 ( -8.408 2.474 0.000) 8.764 34.431 ( -8.470 -2.542 0.000) 8.843 36.495 ( 4.548 7.968 0.000) 9.174 36.690 ( 5.614 -9.513 0.000) 11.046 36.843 ( 2.094 2.502 0.000) 3.263 36.903 ( 3.834 -2.882 0.000) 4.797 38.849 ( -10.279 9.878 0.000) 14.256 39.101 ( -9.559 -12.937 0.000) 16.086 40.066 ( -2.888 9.605 0.000) 10.030 40.253 ( -2.206 -7.117 0.000) 7.451 40.856 ( -4.450 11.701 0.000) 12.519 41.086 ( -4.470 -9.188 0.000) 10.218 41.349 ( 0.307 5.329 0.000) 5.337 41.458 ( 0.656 -4.303 0.000) 4.353 42.854 ( -20.269 7.844 0.000) 21.734 42.946 ( -11.470 -1.829 0.000) 11.615 ======================= Grid point 24 (15/108) ======================= q-point: ( 0.18 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 23.361 23.618 0.000) 33.219 2.620 ( 26.288 35.010 0.000) 43.781 2.862 ( 14.536 -20.856 0.000) 25.422 3.385 ( 20.927 -34.388 0.000) 40.255 4.150 ( 33.488 42.181 0.000) 53.858 4.781 ( 2.969 -12.611 0.000) 12.956 5.043 ( -12.602 1.849 0.000) 12.737 5.080 ( -10.974 -1.435 0.000) 11.067 5.342 ( 6.752 7.918 0.000) 10.406 5.764 ( 10.853 15.479 0.000) 18.905 5.804 ( 16.406 -33.321 0.000) 37.141 5.863 ( -8.654 5.888 0.000) 10.467 6.009 ( -2.241 -7.073 0.000) 7.420 6.086 ( 2.541 -13.175 0.000) 13.418 6.459 ( -11.407 16.841 0.000) 20.341 6.877 ( 19.878 5.265 0.000) 20.564 6.916 ( -12.723 -22.903 0.000) 26.199 6.974 ( 17.669 -2.933 0.000) 17.911 8.894 ( -12.412 18.483 0.000) 22.264 8.945 ( -5.710 6.224 0.000) 8.446 9.076 ( -9.520 -5.498 0.000) 10.994 9.254 ( -12.869 -15.469 0.000) 20.123 9.602 ( -14.371 16.103 0.000) 21.583 9.918 ( -14.044 -12.518 0.000) 18.813 12.743 ( 86.408 5.902 0.000) 86.610 13.071 ( 88.677 -25.327 0.000) 92.223 16.076 ( 56.661 4.310 0.000) 56.824 16.218 ( 52.663 -8.965 0.000) 53.420 17.175 ( -2.983 10.730 0.000) 11.137 17.437 ( 0.059 -12.631 0.000) 12.631 17.929 ( 4.557 6.951 0.000) 8.311 18.066 ( 3.925 -5.171 0.000) 6.491 18.510 ( 14.219 10.145 0.000) 17.467 18.808 ( 15.185 -17.702 0.000) 23.323 21.845 ( 112.446 5.205 0.000) 112.566 21.961 ( 109.295 -5.070 0.000) 109.412 22.400 ( -11.272 9.281 0.000) 14.601 22.614 ( -14.557 -9.671 0.000) 17.477 24.421 ( 5.425 3.799 0.000) 6.623 24.464 ( 5.800 0.157 0.000) 5.802 25.201 ( -2.951 21.589 0.000) 21.790 25.721 ( -2.465 -23.834 0.000) 23.961 25.826 ( 3.561 32.642 0.000) 32.836 26.026 ( -0.815 25.479 0.000) 25.493 26.511 ( 2.165 -26.237 0.000) 26.326 26.575 ( -0.632 -21.971 0.000) 21.980 27.436 ( 4.840 26.507 0.000) 26.946 27.932 ( 15.671 -18.019 0.000) 23.880 28.600 ( -5.095 14.890 0.000) 15.737 28.949 ( -6.682 -15.953 0.000) 17.296 30.400 ( 37.477 15.039 0.000) 40.382 30.817 ( 37.811 -22.569 0.000) 44.034 30.830 ( 3.561 5.677 0.000) 6.702 30.945 ( 6.552 -4.541 0.000) 7.972 33.431 ( -11.932 5.688 0.000) 13.219 33.638 ( 1.150 -14.673 0.000) 14.718 34.116 ( -18.704 2.428 0.000) 18.861 34.172 ( -18.677 -2.526 0.000) 18.847 36.612 ( 7.234 9.251 0.000) 11.744 36.837 ( 9.329 -10.918 0.000) 14.361 36.901 ( 3.642 4.351 0.000) 5.674 37.002 ( 6.047 -4.723 0.000) 7.672 38.551 ( -20.507 10.864 0.000) 23.207 38.827 ( -18.582 -14.127 0.000) 23.343 39.984 ( -5.573 10.614 0.000) 11.988 40.192 ( -3.933 -8.130 0.000) 9.031 40.717 ( -10.051 11.964 0.000) 15.626 40.952 ( -9.459 -9.380 0.000) 13.321 41.360 ( 0.962 5.893 0.000) 5.971 41.478 ( 1.496 -4.662 0.000) 4.896 42.440 ( -20.186 16.135 0.000) 25.843 42.671 ( -15.843 -6.249 0.000) 17.030 ======================= Grid point 25 (16/108) ======================= q-point: ( 0.27 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 27.504 13.302 0.000) 30.552 3.163 ( 28.771 29.116 0.000) 40.933 3.183 ( 18.659 -14.763 0.000) 23.792 3.816 ( 22.211 -29.728 0.000) 37.109 4.625 ( 9.976 14.541 0.000) 17.634 4.817 ( 2.896 -3.727 0.000) 4.720 4.842 ( -6.880 3.071 0.000) 7.534 4.893 ( -7.881 -1.227 0.000) 7.976 5.561 ( -16.527 6.918 0.000) 17.916 5.574 ( 19.626 23.243 0.000) 30.421 5.753 ( -17.361 -9.773 0.000) 19.923 5.997 ( -6.696 6.692 0.000) 9.467 6.124 ( 20.225 10.622 0.000) 22.845 6.347 ( 17.437 -9.802 0.000) 20.003 6.400 ( 14.093 -21.075 0.000) 25.353 6.623 ( -17.057 -22.405 0.000) 28.159 7.262 ( 18.670 4.448 0.000) 19.193 7.319 ( 18.148 -0.470 0.000) 18.154 8.640 ( -13.854 16.044 0.000) 21.197 8.812 ( -7.921 2.078 0.000) 8.189 8.862 ( -12.082 -2.370 0.000) 12.312 8.964 ( -16.695 -13.912 0.000) 21.732 9.281 ( -18.170 16.184 0.000) 24.333 9.596 ( -18.750 -12.410 0.000) 22.484 14.328 ( 75.314 6.694 0.000) 75.611 14.586 ( 68.500 -17.075 0.000) 70.596 17.063 ( 35.100 8.323 0.000) 36.074 17.112 ( -3.532 12.976 0.000) 13.449 17.187 ( 50.196 -3.533 0.000) 50.320 17.429 ( -1.262 -15.460 0.000) 15.511 18.006 ( 2.743 6.759 0.000) 7.295 18.134 ( 2.746 -4.346 0.000) 5.141 18.756 ( 14.896 12.262 0.000) 19.294 19.165 ( 23.838 -25.103 0.000) 34.618 22.088 ( -21.145 6.918 0.000) 22.248 22.253 ( -22.645 -7.574 0.000) 23.878 24.053 ( 78.289 6.083 0.000) 78.525 24.199 ( 83.400 -6.923 0.000) 83.687 24.759 ( 54.299 6.258 0.000) 54.658 24.783 ( 63.628 3.281 0.000) 63.712 25.132 ( -4.182 23.336 0.000) 23.708 25.615 ( -8.459 -15.021 0.000) 17.239 25.915 ( 5.711 30.805 0.000) 31.330 26.037 ( 1.777 19.101 0.000) 19.184 26.576 ( 4.572 -26.219 0.000) 26.615 26.579 ( 1.190 -24.404 0.000) 24.433 27.588 ( 11.576 24.096 0.000) 26.732 28.140 ( 7.254 -24.051 0.000) 25.121 28.483 ( -6.824 11.978 0.000) 13.785 28.787 ( -10.035 -14.621 0.000) 17.734 30.908 ( 4.207 8.633 0.000) 9.604 31.087 ( 7.807 -7.296 0.000) 10.685 31.164 ( 32.164 14.291 0.000) 35.196 31.476 ( 29.984 -13.340 0.000) 32.818 33.339 ( 7.404 19.214 0.000) 20.591 33.628 ( -32.408 2.575 0.000) 32.511 33.687 ( -32.027 -2.685 0.000) 32.139 33.889 ( 26.208 -31.287 0.000) 40.813 36.767 ( 8.701 11.344 0.000) 14.296 36.965 ( 2.036 6.167 0.000) 6.494 37.045 ( 12.050 -13.624 0.000) 18.188 37.111 ( 3.924 -6.917 0.000) 7.953 38.060 ( -29.757 13.380 0.000) 32.627 38.394 ( -25.362 -16.862 0.000) 30.456 39.859 ( -6.957 12.724 0.000) 14.501 40.108 ( -4.408 -9.805 0.000) 10.750 40.464 ( -15.907 13.095 0.000) 20.604 40.720 ( -14.261 -10.141 0.000) 17.500 41.393 ( 2.528 6.460 0.000) 6.937 41.520 ( 2.938 -4.911 0.000) 5.723 42.103 ( -14.643 16.202 0.000) 21.838 42.366 ( -15.082 -8.230 0.000) 17.181 ======================= Grid point 26 (17/108) ======================= q-point: ( 0.36 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( 26.788 6.320 0.000) 27.524 3.584 ( 22.533 -9.792 0.000) 24.569 3.696 ( 25.011 21.930 0.000) 33.264 4.164 ( 11.163 -19.045 0.000) 22.075 4.634 ( -3.328 9.095 0.000) 9.685 4.768 ( -5.643 5.983 0.000) 8.224 4.840 ( 7.906 -1.179 0.000) 7.993 4.843 ( -1.795 -9.887 0.000) 10.049 5.250 ( -13.659 -0.600 0.000) 13.673 5.375 ( -20.304 -10.420 0.000) 22.822 5.675 ( -18.069 22.112 0.000) 28.556 6.027 ( 8.906 5.831 0.000) 10.645 6.317 ( -3.157 -0.895 0.000) 3.282 6.530 ( 19.997 8.677 0.000) 21.799 6.708 ( 18.961 -7.608 0.000) 20.430 6.797 ( 20.618 -28.162 0.000) 34.903 7.562 ( 12.518 8.085 0.000) 14.902 7.685 ( 18.683 -2.917 0.000) 18.909 8.351 ( -16.144 13.020 0.000) 20.741 8.621 ( -18.297 -11.271 0.000) 21.490 8.628 ( -10.099 0.786 0.000) 10.130 8.664 ( -7.144 -2.308 0.000) 7.508 8.927 ( -17.451 14.362 0.000) 22.601 9.211 ( -20.442 -11.157 0.000) 23.288 15.621 ( 57.522 1.952 0.000) 57.555 15.734 ( 49.857 -8.591 0.000) 50.592 17.029 ( -5.509 13.594 0.000) 14.668 17.362 ( -6.683 -16.311 0.000) 17.627 17.523 ( 15.310 20.098 0.000) 25.265 17.910 ( 21.622 -15.515 0.000) 26.612 18.015 ( -2.111 7.900 0.000) 8.177 18.166 ( 0.614 -5.118 0.000) 5.155 19.232 ( 35.954 19.618 0.000) 40.958 19.741 ( 34.251 -26.208 0.000) 43.128 21.578 ( -31.474 6.798 0.000) 32.200 21.743 ( -29.683 -7.836 0.000) 30.699 24.557 ( 11.528 9.729 0.000) 15.085 24.658 ( 10.532 1.272 0.000) 10.609 25.036 ( -5.731 22.345 0.000) 23.069 25.407 ( -12.562 -6.455 0.000) 14.123 25.979 ( 6.281 28.290 0.000) 28.978 26.075 ( 1.603 17.051 0.000) 17.126 26.534 ( 23.206 -16.363 0.000) 28.395 26.617 ( 2.418 -27.561 0.000) 27.667 26.944 ( 104.295 -1.233 0.000) 104.302 27.002 ( 84.507 -7.200 0.000) 84.813 27.986 ( 40.262 11.938 0.000) 41.994 28.331 ( 19.996 -18.344 0.000) 27.136 28.340 ( -7.824 7.221 0.000) 10.647 28.562 ( -13.055 -11.862 0.000) 17.639 30.970 ( 1.090 11.894 0.000) 11.944 31.225 ( 4.997 -10.678 0.000) 11.789 31.496 ( 6.502 14.922 0.000) 16.277 31.859 ( 6.399 -17.924 0.000) 19.032 32.842 ( -48.464 3.209 0.000) 48.570 32.913 ( -47.763 -3.116 0.000) 47.864 33.900 ( 49.385 30.726 0.000) 58.163 34.616 ( 46.188 -34.376 0.000) 57.577 36.879 ( -17.539 6.307 0.000) 18.639 36.942 ( 9.089 14.085 0.000) 16.763 37.050 ( -14.530 -8.631 0.000) 16.900 37.293 ( 13.150 -17.690 0.000) 22.042 37.480 ( -24.096 18.317 0.000) 30.267 37.922 ( -19.613 -21.617 0.000) 29.189 39.734 ( -5.266 15.798 0.000) 16.652 40.037 ( -2.410 -11.792 0.000) 12.036 40.126 ( -17.914 15.596 0.000) 23.752 40.425 ( -15.237 -11.652 0.000) 19.182 41.459 ( 4.216 7.173 0.000) 8.320 41.596 ( 4.966 -5.162 0.000) 7.163 41.863 ( -10.491 13.433 0.000) 17.045 42.097 ( -12.566 -7.955 0.000) 14.872 ======================= Grid point 27 (18/108) ======================= q-point: ( 0.45 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.861 ( 19.866 5.106 0.000) 20.512 4.018 ( 19.599 -8.684 0.000) 21.436 4.040 ( 6.109 9.383 0.000) 11.196 4.232 ( -3.097 -7.361 0.000) 7.986 4.586 ( -0.499 10.041 0.000) 10.053 4.635 ( -6.392 15.569 0.000) 16.830 4.790 ( -1.335 -6.771 0.000) 6.902 4.940 ( -16.801 -2.458 0.000) 16.980 5.047 ( 8.783 -2.860 0.000) 9.237 5.302 ( 17.073 -16.761 0.000) 23.925 5.310 ( -17.793 15.536 0.000) 23.621 5.729 ( -23.248 -20.530 0.000) 31.015 6.641 ( 17.882 21.192 0.000) 27.728 6.792 ( 3.951 11.918 0.000) 12.555 7.039 ( 13.028 -10.185 0.000) 16.536 7.097 ( 7.976 -20.299 0.000) 21.810 7.767 ( 10.033 12.533 0.000) 16.054 8.010 ( 14.485 -8.352 0.000) 16.721 8.024 ( -16.540 12.716 0.000) 20.863 8.285 ( -15.565 -10.289 0.000) 18.658 8.517 ( -0.019 3.574 0.000) 3.575 8.614 ( 4.052 -4.696 0.000) 6.203 8.637 ( -11.601 9.558 0.000) 15.032 8.836 ( -17.119 -8.046 0.000) 18.916 16.476 ( 29.398 1.792 0.000) 29.453 16.569 ( 37.600 -5.870 0.000) 38.056 16.866 ( -12.622 10.121 0.000) 16.178 17.121 ( -19.531 -12.593 0.000) 23.238 17.751 ( 9.811 18.717 0.000) 21.133 17.921 ( -7.350 12.120 0.000) 14.174 18.123 ( 4.305 -15.033 0.000) 15.637 18.163 ( -0.784 -9.426 0.000) 9.458 20.047 ( 44.585 15.628 0.000) 47.245 20.434 ( 36.238 -19.002 0.000) 40.918 20.879 ( -40.194 9.817 0.000) 41.376 21.120 ( -34.194 -11.746 0.000) 36.155 24.753 ( 8.927 13.807 0.000) 16.442 24.880 ( 12.851 2.311 0.000) 13.057 24.910 ( -7.333 18.716 0.000) 20.101 25.145 ( -14.042 -0.707 0.000) 14.060 26.059 ( 2.726 24.367 0.000) 24.519 26.088 ( -0.341 19.909 0.000) 19.912 26.654 ( 1.820 -28.358 0.000) 28.417 26.657 ( 1.256 -29.454 0.000) 29.480 27.878 ( 21.248 3.434 0.000) 21.524 28.043 ( 15.787 -10.179 0.000) 18.784 28.173 ( -10.258 1.579 0.000) 10.379 28.293 ( -13.920 -8.099 0.000) 16.105 29.544 ( 89.226 0.937 0.000) 89.231 29.571 ( 95.776 -1.175 0.000) 95.784 30.797 ( -29.544 11.811 0.000) 31.817 31.042 ( -41.036 -9.836 0.000) 42.199 31.570 ( 4.791 11.426 0.000) 12.390 31.844 ( -3.705 -12.993 0.000) 13.511 31.945 ( -34.530 -0.354 0.000) 34.532 31.951 ( -35.025 -0.809 0.000) 35.035 35.022 ( 61.185 23.381 0.000) 65.500 35.573 ( 50.343 -26.221 0.000) 56.762 36.144 ( -52.154 14.070 0.000) 54.018 36.485 ( -41.386 -16.496 0.000) 44.553 37.108 ( 7.660 16.681 0.000) 18.355 37.237 ( -6.409 18.207 0.000) 19.302 37.530 ( 10.598 -21.819 0.000) 24.256 37.694 ( -7.207 -23.358 0.000) 24.444 39.689 ( 1.623 18.644 0.000) 18.714 39.822 ( -12.083 18.515 0.000) 22.109 40.038 ( 3.011 -13.280 0.000) 13.617 40.168 ( -10.452 -13.189 0.000) 16.828 41.556 ( 5.862 8.492 0.000) 10.319 41.687 ( -7.790 10.613 0.000) 13.166 41.715 ( 7.301 -5.779 0.000) 9.311 41.880 ( -9.847 -6.831 0.000) 11.984 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 0.000 0.000 42.120) 42.120 1.019 ( 0.000 0.000 48.710) 48.710 1.753 ( 0.000 0.000 83.753) 83.753 3.242 ( 0.000 0.000 7.583) 7.583 4.196 ( 0.000 0.000 -3.342) 3.342 4.534 ( 0.000 0.000 -4.958) 4.958 5.034 ( 0.000 0.000 8.540) 8.540 5.282 ( 0.000 0.000 -2.529) 2.529 5.366 ( 0.000 0.000 9.846) 9.846 5.489 ( 0.000 0.000 -4.988) 4.988 5.914 ( 0.000 0.000 -3.354) 3.354 6.152 ( 0.000 0.000 5.786) 5.786 6.211 ( 0.000 0.000 -10.554) 10.554 6.313 ( 0.000 0.000 1.856) 1.856 6.420 ( 0.000 0.000 2.528) 2.528 6.583 ( 0.000 0.000 -8.574) 8.574 7.166 ( 0.000 0.000 9.362) 9.362 7.825 ( 0.000 0.000 2.991) 2.991 8.285 ( 0.000 0.000 6.639) 6.639 8.699 ( 0.000 0.000 -6.100) 6.100 9.001 ( 0.000 0.000 8.261) 8.261 9.201 ( 0.000 0.000 -13.134) 13.134 9.622 ( 0.000 0.000 8.786) 8.786 9.907 ( 0.000 0.000 -2.357) 2.357 10.414 ( 0.000 0.000 -7.358) 7.358 11.243 ( 0.000 0.000 7.712) 7.712 15.273 ( 0.000 0.000 63.891) 63.891 15.510 ( 0.000 0.000 61.646) 61.646 16.124 ( 0.000 0.000 -36.126) 36.126 16.402 ( 0.000 0.000 -56.250) 56.250 17.767 ( 0.000 0.000 39.526) 39.526 18.385 ( 0.000 0.000 24.270) 24.270 18.435 ( 0.000 0.000 38.940) 38.940 19.233 ( 0.000 0.000 11.493) 11.493 20.226 ( 0.000 0.000 0.778) 0.778 20.235 ( 0.000 0.000 9.915) 9.915 22.303 ( 0.000 0.000 6.263) 6.263 23.933 ( 0.000 0.000 -13.046) 13.046 24.130 ( 0.000 0.000 -11.933) 11.933 24.402 ( 0.000 0.000 -3.586) 3.586 24.792 ( 0.000 0.000 -1.655) 1.655 25.098 ( 0.000 0.000 11.185) 11.185 25.377 ( 0.000 0.000 12.613) 12.613 26.181 ( 0.000 0.000 9.976) 9.976 26.641 ( 0.000 0.000 0.160) 0.160 27.212 ( 0.000 0.000 -3.606) 3.606 27.588 ( 0.000 0.000 2.646) 2.646 27.605 ( 0.000 0.000 31.031) 31.031 28.066 ( 0.000 0.000 24.591) 24.591 28.587 ( 0.000 0.000 24.453) 24.453 29.491 ( 0.000 0.000 0.172) 0.172 29.600 ( 0.000 0.000 -17.820) 17.820 30.844 ( 0.000 0.000 12.890) 12.890 31.450 ( 0.000 0.000 -6.559) 6.559 33.396 ( 0.000 0.000 -2.646) 2.646 33.594 ( 0.000 0.000 -15.254) 15.254 34.377 ( 0.000 0.000 -1.697) 1.697 34.561 ( 0.000 0.000 -1.597) 1.597 36.181 ( 0.000 0.000 -9.307) 9.307 36.808 ( 0.000 0.000 -8.764) 8.764 36.934 ( 0.000 0.000 13.353) 13.353 38.721 ( 0.000 0.000 -1.042) 1.042 39.156 ( 0.000 0.000 2.790) 2.790 39.845 ( 0.000 0.000 3.705) 3.705 40.414 ( 0.000 0.000 -0.337) 0.337 40.503 ( 0.000 0.000 -0.131) 0.131 40.662 ( 0.000 0.000 1.619) 1.619 41.152 ( 0.000 0.000 -4.801) 4.801 41.382 ( 0.000 0.000 2.344) 2.344 41.459 ( 0.000 0.000 -3.884) 3.884 41.510 ( 0.000 0.000 -2.407) 2.407 42.924 ( 0.000 0.000 -10.113) 10.113 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.09 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 34.475 0.000 30.542) 46.058 1.372 ( 31.553 0.000 35.988) 47.862 2.139 ( 38.656 0.000 65.189) 75.789 3.292 ( 4.775 0.000 6.821) 8.326 4.255 ( 5.967 0.000 -3.628) 6.983 4.643 ( 9.810 0.000 -5.907) 11.451 5.000 ( -2.637 0.000 6.186) 6.724 5.211 ( -6.653 0.000 -3.433) 7.486 5.335 ( -11.345 0.000 -2.354) 11.587 5.378 ( 1.091 0.000 9.309) 9.373 5.970 ( -12.678 0.000 -0.566) 12.691 6.008 ( 8.599 0.000 -5.511) 10.214 6.212 ( -9.260 0.000 2.001) 9.474 6.274 ( 1.551 0.000 -3.990) 4.281 6.558 ( 12.551 0.000 3.196) 12.952 6.668 ( 7.864 0.000 -8.135) 11.315 7.226 ( 5.997 0.000 9.361) 11.118 7.873 ( 3.320 0.000 4.612) 5.682 8.139 ( -13.472 0.000 2.428) 13.689 8.750 ( 3.935 0.000 -1.085) 4.082 9.114 ( -7.503 0.000 -13.576) 15.512 9.457 ( -5.645 0.000 0.793) 5.700 9.833 ( -5.494 0.000 -6.499) 8.510 10.340 ( -7.505 0.000 -7.452) 10.576 11.636 ( 46.339 0.000 3.587) 46.477 12.451 ( 147.856 0.000 -81.740) 168.946 15.805 ( 28.492 0.000 52.351) 59.602 15.948 ( 58.714 0.000 8.964) 59.394 16.148 ( 3.797 0.000 -29.225) 29.471 16.619 ( 17.627 0.000 -52.304) 55.195 17.740 ( -2.320 0.000 37.024) 37.097 18.383 ( 0.001 0.000 23.106) 23.106 18.664 ( 19.302 0.000 41.747) 45.994 19.956 ( 70.590 0.000 11.414) 71.507 20.210 ( 0.909 0.000 9.981) 10.022 20.634 ( 45.999 0.000 9.008) 46.873 22.323 ( 1.634 0.000 7.525) 7.701 23.744 ( -27.870 0.000 14.302) 31.326 23.944 ( 0.963 0.000 -12.365) 12.402 24.490 ( 2.210 0.000 3.217) 3.902 24.837 ( 5.021 0.000 -10.061) 11.244 25.018 ( -7.742 0.000 10.412) 12.975 25.257 ( -7.843 0.000 16.613) 18.372 25.967 ( 0.477 0.000 25.141) 25.146 26.706 ( 6.477 0.000 0.479) 6.495 27.118 ( -12.668 0.000 36.996) 39.105 27.406 ( 14.632 0.000 1.175) 14.680 27.670 ( 9.683 0.000 21.220) 23.325 28.618 ( 3.743 0.000 26.323) 26.588 29.239 ( 18.507 0.000 -29.937) 35.196 29.658 ( 6.915 0.000 -16.287) 17.695 29.832 ( 53.722 0.000 -29.530) 61.303 30.832 ( -1.162 0.000 11.923) 11.979 31.451 ( 0.191 0.000 -6.557) 6.559 33.463 ( -4.641 0.000 -14.220) 14.958 33.536 ( 6.346 0.000 -18.927) 19.962 34.301 ( -7.924 0.000 -1.630) 8.090 34.482 ( -8.361 0.000 -1.475) 8.490 36.215 ( 3.359 0.000 -9.278) 9.867 36.872 ( 6.633 0.000 -8.488) 10.772 36.928 ( -0.493 0.000 12.779) 12.789 38.616 ( -10.851 0.000 -0.992) 10.897 38.707 ( -42.446 0.000 48.828) 64.698 39.716 ( -21.523 0.000 13.345) 25.325 39.891 ( -18.708 0.000 11.093) 21.750 40.433 ( -1.644 0.000 2.635) 3.106 40.461 ( -4.586 0.000 -0.279) 4.595 41.145 ( -0.604 0.000 -4.825) 4.863 41.342 ( -4.502 0.000 2.532) 5.165 41.448 ( -1.051 0.000 -4.044) 4.178 41.523 ( 1.209 0.000 -2.467) 2.747 42.854 ( -6.953 0.000 -9.851) 12.057 ======================= Grid point 57 (21/108) ======================= q-point: ( 0.18 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 34.216 0.000 27.168) 43.690 2.082 ( 39.344 0.000 23.349) 45.751 3.091 ( 54.572 0.000 37.520) 66.225 3.412 ( 7.509 0.000 5.046) 9.047 4.420 ( 10.807 0.000 -4.452) 11.688 4.810 ( 2.046 0.000 -5.322) 5.701 4.908 ( -8.370 0.000 0.536) 8.388 5.052 ( -9.287 0.000 -3.174) 9.815 5.204 ( 5.095 0.000 -2.299) 5.590 5.400 ( 0.939 0.000 6.355) 6.425 5.710 ( -13.370 0.000 -1.723) 13.481 5.950 ( -16.016 0.000 2.676) 16.238 6.237 ( -5.634 0.000 -2.104) 6.014 6.242 ( 13.941 0.000 -6.327) 15.310 6.837 ( 8.504 0.000 -8.824) 12.254 6.864 ( 18.157 0.000 3.342) 18.462 7.383 ( 9.085 0.000 8.099) 12.171 7.820 ( -17.726 0.000 0.253) 17.728 7.945 ( 3.774 0.000 8.180) 9.009 8.817 ( 2.519 0.000 4.188) 4.887 8.904 ( -13.899 0.000 -12.189) 18.487 9.286 ( -11.405 0.000 3.863) 12.041 9.623 ( -15.208 0.000 -6.354) 16.482 10.132 ( -13.813 0.000 -7.341) 15.642 12.814 ( 72.317 0.000 3.074) 72.382 14.351 ( 70.893 0.000 -8.840) 71.441 16.136 ( 4.798 0.000 -28.760) 29.157 16.684 ( 49.610 0.000 49.908) 70.371 16.912 ( 10.556 0.000 -34.638) 36.210 16.961 ( 39.595 0.000 -19.699) 44.224 17.710 ( 0.371 0.000 24.678) 24.681 18.378 ( -0.972 0.000 21.477) 21.499 18.972 ( 10.309 0.000 39.665) 40.983 20.260 ( 6.563 0.000 17.410) 18.606 21.837 ( 115.203 0.000 8.947) 115.550 22.145 ( 105.607 0.000 8.965) 105.987 22.336 ( -0.123 0.000 12.599) 12.600 23.233 ( -23.535 0.000 25.314) 34.564 23.965 ( 1.190 0.000 -10.563) 10.630 24.495 ( -0.153 0.000 10.801) 10.802 24.827 ( -11.128 0.000 8.664) 14.103 24.959 ( 6.869 0.000 -8.746) 11.121 25.207 ( 1.607 0.000 9.050) 9.191 26.201 ( 19.514 0.000 13.446) 23.698 26.880 ( 11.192 0.000 1.318) 11.269 26.910 ( -9.655 0.000 36.257) 37.521 27.559 ( 3.585 0.000 19.181) 19.513 28.009 ( 17.129 0.000 -6.561) 18.343 28.757 ( 9.855 0.000 25.464) 27.305 29.261 ( -5.153 0.000 -9.249) 10.587 29.961 ( 27.597 0.000 -10.856) 29.655 30.712 ( 31.312 0.000 -24.426) 39.712 30.811 ( -0.422 0.000 9.794) 9.803 31.476 ( 3.637 0.000 -6.300) 7.274 33.199 ( -17.435 0.000 -12.516) 21.462 33.872 ( 19.204 0.000 -34.054) 39.096 34.076 ( -11.243 0.000 -5.239) 12.404 34.228 ( -18.235 0.000 -1.026) 18.264 36.302 ( 5.447 0.000 -8.879) 10.417 36.920 ( -0.276 0.000 11.082) 11.085 37.064 ( 13.137 0.000 -7.748) 15.252 38.060 ( -20.419 0.000 57.478) 60.998 38.297 ( -22.310 0.000 -0.879) 22.328 39.316 ( -18.724 0.000 2.741) 18.924 39.711 ( -8.726 0.000 3.891) 9.554 40.311 ( -11.293 0.000 -0.704) 11.315 40.398 ( -2.129 0.000 1.891) 2.848 41.138 ( 0.119 0.000 -4.918) 4.919 41.207 ( -9.394 0.000 2.627) 9.755 41.420 ( -1.841 0.000 -4.407) 4.776 41.552 ( 1.742 0.000 -2.661) 3.180 42.669 ( -11.659 0.000 -9.175) 14.836 ======================= Grid point 58 (22/108) ======================= q-point: ( 0.27 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 34.257 0.000 21.150) 40.260 2.840 ( 37.740 0.000 16.425) 41.159 3.591 ( 11.520 0.000 3.274) 11.976 4.094 ( 43.236 0.000 22.386) 48.688 4.652 ( 12.181 0.000 -5.478) 13.356 4.678 ( -11.933 0.000 -1.767) 12.063 4.783 ( 1.621 0.000 0.689) 1.761 4.851 ( -11.830 0.000 -0.903) 11.865 5.401 ( -1.473 0.000 1.267) 1.943 5.468 ( 3.562 0.000 -7.567) 8.364 5.500 ( -6.292 0.000 -2.038) 6.613 5.646 ( -1.898 0.000 1.244) 2.269 6.055 ( -12.951 0.000 -0.435) 12.959 6.548 ( 16.840 0.000 -6.582) 18.081 6.968 ( 4.583 0.000 -12.063) 12.904 7.156 ( -0.939 0.000 -4.996) 5.083 7.410 ( 2.325 0.000 3.145) 3.911 7.713 ( 10.567 0.000 11.406) 15.549 8.004 ( 1.904 0.000 12.076) 12.225 8.590 ( -17.854 0.000 -9.656) 20.298 8.839 ( -0.367 0.000 6.773) 6.783 9.035 ( -13.874 0.000 7.475) 15.760 9.280 ( -19.505 0.000 -5.889) 20.375 9.812 ( -18.919 0.000 -6.597) 20.036 14.276 ( 75.224 0.000 -0.345) 75.225 15.578 ( 57.825 0.000 14.712) 59.667 16.236 ( 6.144 0.000 -24.237) 25.004 16.997 ( -1.110 0.000 -4.110) 4.257 17.492 ( 16.774 0.000 -10.412) 19.743 17.680 ( 40.285 0.000 19.807) 44.891 17.819 ( 19.075 0.000 20.187) 27.773 18.326 ( -5.036 0.000 20.283) 20.899 19.109 ( 6.827 0.000 39.995) 40.574 20.458 ( 13.659 0.000 18.615) 23.089 22.208 ( -12.373 0.000 22.483) 25.663 22.694 ( -23.825 0.000 21.930) 32.381 23.951 ( 5.956 0.000 -8.425) 10.317 24.252 ( 95.364 0.000 13.965) 96.381 24.502 ( 71.360 0.000 1.200) 71.370 24.574 ( 29.304 0.000 10.687) 31.192 24.676 ( 44.965 0.000 11.754) 46.476 25.085 ( 4.911 0.000 -8.299) 9.643 25.293 ( 10.922 0.000 10.261) 14.986 26.460 ( -3.271 0.000 11.045) 11.519 26.944 ( 23.987 0.000 26.410) 35.677 27.123 ( 13.304 0.000 2.484) 13.534 27.615 ( 2.476 0.000 16.416) 16.602 28.214 ( 5.999 0.000 -3.416) 6.903 28.894 ( 2.987 0.000 14.139) 14.451 29.105 ( -10.916 0.000 -4.894) 11.963 30.559 ( 16.953 0.000 -7.126) 18.390 30.909 ( 15.111 0.000 5.681) 16.144 31.152 ( 16.747 0.000 -8.136) 18.619 31.753 ( 34.737 0.000 -3.461) 34.909 32.832 ( -19.871 0.000 -10.878) 22.654 33.558 ( -31.611 0.000 -0.996) 31.626 33.756 ( -30.968 0.000 -0.066) 30.968 34.525 ( 36.062 0.000 -37.019) 51.680 36.419 ( 6.501 0.000 -7.788) 10.145 36.917 ( -0.212 0.000 8.558) 8.561 37.379 ( 19.071 0.000 -6.848) 20.263 37.744 ( -34.794 0.000 -0.646) 34.800 37.814 ( -8.902 0.000 37.812) 38.845 38.954 ( -17.881 0.000 1.624) 17.954 39.513 ( -11.670 0.000 4.845) 12.636 40.010 ( -19.967 0.000 -1.279) 20.007 40.355 ( -2.069 0.000 1.798) 2.741 40.985 ( -13.072 0.000 2.813) 13.371 41.153 ( 1.361 0.000 -5.080) 5.259 41.379 ( -2.337 0.000 -4.820) 5.357 41.593 ( 2.672 0.000 -3.083) 4.079 42.422 ( -13.311 0.000 -8.294) 15.684 ======================= Grid point 59 (23/108) ======================= q-point: ( 0.36 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.316 ( 33.179 0.000 15.546) 36.641 3.484 ( 26.948 0.000 10.560) 28.943 3.903 ( 22.076 0.000 3.523) 22.355 4.406 ( -2.663 0.000 3.570) 4.454 4.479 ( -8.134 0.000 -0.729) 8.166 4.580 ( -15.864 0.000 2.493) 16.059 4.834 ( 4.553 0.000 -6.047) 7.569 5.076 ( -19.608 0.000 7.231) 20.899 5.293 ( 34.717 0.000 8.216) 35.676 5.356 ( -1.817 0.000 -3.459) 3.908 5.523 ( 8.762 0.000 -2.271) 9.052 5.754 ( -17.311 0.000 0.505) 17.319 6.023 ( 22.855 0.000 -14.879) 27.271 6.783 ( -25.194 0.000 -8.232) 26.505 6.831 ( 8.641 0.000 -3.307) 9.252 7.025 ( 3.358 0.000 -20.401) 20.676 7.754 ( 22.193 0.000 4.877) 22.723 7.970 ( 13.748 0.000 11.516) 17.934 7.991 ( -4.319 0.000 12.467) 13.194 8.263 ( -13.514 0.000 -1.946) 13.654 8.774 ( -12.279 0.000 10.888) 16.411 8.803 ( -3.047 0.000 7.008) 7.642 8.898 ( -18.849 0.000 -4.958) 19.490 9.411 ( -22.039 0.000 -5.221) 22.649 15.635 ( 63.436 0.000 -2.495) 63.485 16.377 ( 8.318 0.000 -14.495) 16.712 16.590 ( 45.809 0.000 19.760) 49.889 16.905 ( -7.367 0.000 7.378) 10.427 17.639 ( -1.679 0.000 -6.226) 6.449 17.983 ( 12.786 0.000 -10.602) 16.610 18.164 ( -11.947 0.000 21.019) 24.177 18.431 ( 15.031 0.000 11.586) 18.978 19.457 ( 34.835 0.000 56.374) 66.269 20.782 ( 19.664 0.000 19.928) 27.996 21.825 ( -27.240 0.000 34.540) 43.989 22.202 ( -26.108 0.000 24.042) 35.491 24.013 ( 3.729 0.000 -7.155) 8.068 24.411 ( -8.915 0.000 1.592) 9.056 24.576 ( 6.943 0.000 12.961) 14.703 25.073 ( -4.414 0.000 0.173) 4.417 25.372 ( 12.916 0.000 11.173) 17.078 26.162 ( -7.213 0.000 10.685) 12.891 26.782 ( 80.743 0.000 12.731) 81.740 27.005 ( 111.420 0.000 5.641) 111.562 27.373 ( 12.167 0.000 3.803) 12.748 27.656 ( 2.097 0.000 10.449) 10.657 27.792 ( 69.828 0.000 7.401) 70.219 28.316 ( 5.842 0.000 3.373) 6.746 28.832 ( -17.465 0.000 -1.749) 17.552 28.928 ( 4.774 0.000 8.891) 10.092 30.627 ( -2.483 0.000 -3.547) 4.330 31.123 ( 5.959 0.000 -2.658) 6.525 31.415 ( 10.296 0.000 -5.184) 11.527 32.444 ( -20.440 0.000 -10.048) 22.776 32.785 ( -47.200 0.000 1.584) 47.226 32.890 ( 47.634 0.000 -2.851) 47.719 33.038 ( -18.545 0.000 3.377) 18.850 35.289 ( 41.879 0.000 -27.092) 49.879 36.547 ( 6.398 0.000 -6.327) 8.998 36.902 ( -1.531 0.000 6.010) 6.202 36.918 ( -49.776 0.000 -1.054) 49.787 37.560 ( -20.614 0.000 16.455) 26.376 37.819 ( 25.334 0.000 -5.192) 25.860 38.710 ( -4.884 0.000 7.918) 9.303 39.264 ( -13.697 0.000 6.680) 15.239 39.543 ( -27.771 0.000 -1.937) 27.838 40.330 ( -0.127 0.000 2.025) 2.029 40.723 ( -13.294 0.000 3.007) 13.630 41.188 ( 2.157 0.000 -5.256) 5.681 41.331 ( -2.541 0.000 -5.146) 5.739 41.662 ( 4.644 0.000 -3.882) 6.053 42.169 ( -12.479 0.000 -7.310) 14.462 ======================= Grid point 60 (24/108) ======================= q-point: ( 0.45 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.901 ( 18.447 0.000 5.381) 19.216 3.934 ( 29.858 0.000 11.036) 31.832 4.247 ( -16.981 0.000 3.525) 17.343 4.318 ( -6.673 0.000 2.178) 7.019 4.380 ( -0.932 0.000 -0.347) 0.995 4.406 ( 25.188 0.000 4.349) 25.561 4.588 ( -24.769 0.000 6.828) 25.693 4.784 ( -10.991 0.000 -1.256) 11.062 5.338 ( 0.670 0.000 -3.531) 3.594 5.444 ( -11.761 0.000 -0.932) 11.798 5.830 ( 20.968 0.000 -5.905) 21.783 5.990 ( 30.253 0.000 4.823) 30.635 6.287 ( -25.317 0.000 -7.482) 26.400 6.322 ( 0.992 0.000 -9.520) 9.572 6.878 ( 4.764 0.000 -12.740) 13.601 7.058 ( -6.007 0.000 -22.886) 23.662 7.921 ( 2.722 0.000 8.058) 8.505 8.076 ( -9.082 0.000 9.064) 12.831 8.140 ( 14.383 0.000 6.408) 15.746 8.193 ( 7.431 0.000 10.759) 13.076 8.593 ( -5.347 0.000 9.071) 10.529 8.616 ( -8.301 0.000 1.597) 8.453 8.765 ( 1.979 0.000 3.470) 3.995 8.991 ( -19.689 0.000 -2.907) 19.903 16.552 ( 9.552 0.000 -3.982) 10.349 16.693 ( 45.051 0.000 -3.983) 45.227 16.738 ( -9.448 0.000 4.636) 10.524 17.268 ( 7.244 0.000 12.194) 14.183 17.470 ( 0.602 0.000 2.186) 2.267 17.860 ( -19.523 0.000 21.818) 29.278 18.236 ( 12.691 0.000 -7.843) 14.919 18.445 ( -7.752 0.000 -1.533) 7.902 20.310 ( 47.071 0.000 54.106) 71.715 21.167 ( -40.059 0.000 45.177) 60.379 21.208 ( 23.947 0.000 22.547) 32.891 21.695 ( -25.957 0.000 24.307) 35.561 24.111 ( 6.279 0.000 -4.552) 7.755 24.249 ( -7.836 0.000 -1.479) 7.974 24.740 ( 9.773 0.000 10.937) 14.667 24.933 ( -9.351 0.000 7.005) 11.684 25.624 ( 13.563 0.000 10.554) 17.186 25.898 ( -14.661 0.000 12.391) 19.196 27.557 ( 7.023 0.000 4.400) 8.288 27.641 ( -1.820 0.000 6.853) 7.091 27.824 ( 36.459 0.000 5.163) 36.823 28.295 ( 17.255 0.000 4.067) 17.728 28.413 ( -25.412 0.000 1.005) 25.432 28.433 ( 1.024 0.000 8.740) 8.800 29.594 ( 65.117 0.000 2.393) 65.161 29.610 ( 98.688 0.000 2.310) 98.715 30.461 ( -19.464 0.000 -3.549) 19.784 31.217 ( -55.000 0.000 -2.877) 55.075 31.291 ( 16.633 0.000 -1.417) 16.693 31.962 ( -6.562 0.000 -3.229) 7.313 31.992 ( -52.881 0.000 2.065) 52.921 32.147 ( -16.767 0.000 -5.226) 17.562 34.429 ( 76.152 0.000 -0.727) 76.155 35.806 ( -64.846 0.000 -0.955) 64.853 36.106 ( 40.856 0.000 -16.275) 43.978 36.624 ( -2.955 0.000 -7.710) 8.256 36.859 ( -2.104 0.000 4.267) 4.757 37.032 ( -27.958 0.000 3.815) 28.217 38.359 ( 30.029 0.000 -3.981) 30.291 38.767 ( 8.969 0.000 11.112) 14.280 38.961 ( -31.404 0.000 -2.825) 31.530 38.995 ( -13.581 0.000 9.175) 16.389 40.365 ( 4.106 0.000 2.480) 4.797 40.497 ( -9.519 0.000 2.905) 9.952 41.233 ( 2.464 0.000 -5.350) 5.890 41.282 ( -2.559 0.000 -5.319) 5.903 41.778 ( 7.363 0.000 -5.002) 8.902 41.948 ( -10.201 0.000 -6.204) 11.939 ======================= Grid point 66 (25/108) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.000 31.475 27.536) 41.820 1.335 ( 0.000 29.586 30.546) 42.525 2.447 ( 0.000 51.266 59.476) 78.521 3.092 ( 0.000 -13.642 8.329) 15.984 3.691 ( 0.000 -31.554 -1.287) 31.580 4.907 ( 0.000 18.803 -5.474) 19.583 5.097 ( 0.000 5.502 8.344) 9.994 5.239 ( 0.000 -6.971 8.713) 11.159 5.381 ( 0.000 4.145 -0.583) 4.186 5.454 ( 0.000 -2.577 -3.906) 4.680 5.923 ( 0.000 -0.171 -5.015) 5.018 6.071 ( 0.000 -5.147 0.377) 5.160 6.200 ( 0.000 -4.373 -8.815) 9.840 6.276 ( 0.000 -8.893 -1.898) 9.093 6.492 ( 0.000 11.193 6.238) 12.813 6.558 ( 0.000 -2.226 -4.871) 5.355 6.567 ( 0.000 -34.500 13.120) 36.910 7.684 ( 0.000 -15.996 5.638) 16.961 8.701 ( 0.000 27.632 1.497) 27.673 8.785 ( 0.000 7.339 -6.354) 9.707 9.188 ( 0.000 15.994 7.323) 17.591 9.263 ( 0.000 3.025 -12.105) 12.477 9.704 ( 0.000 9.382 8.220) 12.474 9.825 ( 0.000 -7.341 -1.715) 7.538 10.339 ( 0.000 -6.946 -7.084) 9.921 11.064 ( 0.000 -15.886 7.724) 17.665 15.304 ( 0.000 2.736 62.680) 62.739 15.555 ( 0.000 -0.876 56.736) 56.743 16.454 ( 0.000 17.477 -54.551) 57.283 16.469 ( 0.000 5.719 -55.918) 56.210 17.730 ( 0.000 -0.954 36.344) 36.356 18.196 ( 0.000 -10.966 27.931) 30.006 18.553 ( 0.000 5.146 35.469) 35.841 19.173 ( 0.000 -10.693 18.613) 21.466 19.889 ( 0.000 -8.641 24.397) 25.882 20.199 ( 0.000 -3.252 10.615) 11.102 22.409 ( 0.000 9.235 6.606) 11.355 23.284 ( 0.000 -21.019 6.068) 21.877 24.179 ( 0.000 4.140 -9.844) 10.680 24.508 ( 0.000 -2.320 4.934) 5.452 25.015 ( 0.000 16.618 -8.940) 18.870 25.029 ( 0.000 -0.464 4.273) 4.298 25.681 ( 0.000 21.585 13.871) 25.657 26.284 ( 0.000 -6.375 2.916) 7.010 26.956 ( 0.000 9.293 3.848) 10.058 27.152 ( 0.000 -0.130 3.348) 3.350 27.406 ( 0.000 -15.630 30.232) 34.033 27.566 ( 0.000 -4.417 3.693) 5.758 28.633 ( 0.000 5.677 20.867) 21.625 28.800 ( 0.000 38.537 -31.413) 49.718 29.392 ( 0.000 -8.398 1.863) 8.602 29.575 ( 0.000 -2.568 -16.408) 16.608 30.858 ( 0.000 1.590 11.681) 11.789 31.293 ( 0.000 -10.809 9.039) 14.090 33.481 ( 0.000 5.061 -16.233) 17.004 33.594 ( 0.000 -0.058 -16.002) 16.002 34.394 ( 0.000 1.533 -1.660) 2.259 34.544 ( 0.000 -1.588 -1.599) 2.254 36.228 ( 0.000 4.268 -9.171) 10.115 36.728 ( 0.000 -6.818 -8.682) 11.039 36.962 ( 0.000 2.764 14.981) 15.234 38.098 ( 0.000 -57.511 57.523) 81.341 38.779 ( 0.000 5.279 -0.878) 5.351 39.565 ( 0.000 -20.895 8.769) 22.660 39.932 ( 0.000 7.298 3.296) 8.008 40.398 ( 0.000 -3.241 1.511) 3.576 40.651 ( 0.000 11.191 0.658) 11.210 41.221 ( 0.000 3.616 -2.145) 4.204 41.317 ( 0.000 -5.613 2.142) 6.008 41.493 ( 0.000 -1.817 -2.347) 2.968 42.600 ( 0.000 26.869 -34.334) 43.598 42.925 ( 0.000 0.060 -10.641) 10.642 ======================= Grid point 67 (26/108) ======================= q-point: ( 0.09 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 24.089 20.224 25.963) 40.784 1.649 ( 25.979 25.327 24.995) 44.058 2.764 ( 31.290 45.898 48.938) 74.031 3.150 ( 5.856 -12.160 7.948) 15.663 3.785 ( 9.387 -30.235 -1.948) 31.719 4.948 ( 0.464 11.892 -2.621) 12.186 5.067 ( -0.452 7.668 3.858) 8.595 5.214 ( -5.743 -0.005 -2.268) 6.174 5.313 ( -5.627 -1.425 0.461) 5.823 5.399 ( -1.600 2.078 4.783) 5.454 5.928 ( -8.327 -2.577 -5.437) 10.273 5.975 ( 3.217 -3.900 -3.931) 6.403 6.246 ( -1.938 -0.720 -4.967) 5.380 6.371 ( -1.311 4.938 4.383) 6.731 6.447 ( 8.972 -5.114 0.292) 10.332 6.617 ( 8.796 -21.495 2.186) 23.327 6.737 ( 12.053 -12.251 6.859) 18.504 7.623 ( -6.378 -17.387 4.684) 19.103 8.603 ( -7.855 26.357 0.059) 27.503 8.814 ( 1.580 6.186 -2.523) 6.865 9.194 ( -6.803 2.599 -11.973) 14.014 9.508 ( -4.290 6.458 -1.002) 7.818 9.703 ( -4.681 -10.332 -3.650) 11.915 10.268 ( -7.303 -6.552 -7.212) 12.177 11.398 ( 84.416 -22.843 -5.025) 87.597 11.749 ( 106.677 -30.003 -14.483) 111.758 15.688 ( 34.563 -1.915 49.909) 60.739 15.885 ( 32.005 -3.135 45.751) 55.922 16.539 ( 10.288 16.491 -50.500) 54.111 16.666 ( 16.029 4.022 -52.452) 54.993 17.725 ( -0.564 0.385 33.808) 33.815 18.236 ( 2.495 -10.707 24.915) 27.233 18.757 ( 17.901 6.299 40.236) 44.486 19.686 ( 25.884 -28.396 31.875) 49.923 20.093 ( 47.609 8.020 12.438) 49.856 20.616 ( 46.539 -3.395 8.840) 47.493 22.419 ( 0.549 8.302 8.085) 11.601 23.207 ( -7.999 -18.359 9.025) 21.966 24.184 ( 0.343 6.427 -9.647) 11.597 24.502 ( -0.338 -2.096 6.433) 6.774 24.977 ( -4.634 1.792 2.855) 5.730 25.038 ( 2.222 15.089 -9.762) 18.108 25.642 ( -3.867 23.769 12.730) 27.239 26.253 ( -1.424 0.306 2.951) 3.290 26.865 ( -4.753 17.590 6.526) 19.354 27.081 ( -6.653 -3.432 28.567) 29.531 27.427 ( -2.069 -5.426 21.434) 22.207 27.585 ( 19.992 -2.000 5.091) 20.726 28.648 ( 1.531 3.808 22.888) 23.253 29.219 ( 5.550 -2.864 -18.096) 19.143 29.646 ( 9.702 -0.669 -16.069) 18.782 29.773 ( 47.533 -4.516 -27.422) 55.061 30.852 ( -0.428 2.127 10.684) 10.902 31.312 ( 2.082 -10.168 6.455) 12.223 33.465 ( -6.093 0.262 -16.021) 17.142 33.516 ( -1.437 -1.244 -18.537) 18.634 34.318 ( -8.043 1.466 -1.527) 8.317 34.465 ( -8.309 -1.555 -1.467) 8.579 36.264 ( 3.619 4.489 -9.164) 10.827 36.788 ( 6.130 -7.184 -8.433) 12.661 36.961 ( -0.053 3.137 14.303) 14.643 37.937 ( -12.796 -41.083 56.085) 70.690 38.676 ( -10.656 5.393 -0.747) 11.967 39.441 ( -11.640 -15.929 5.658) 20.525 39.904 ( -3.277 6.869 3.261) 8.280 40.384 ( -1.462 -3.558 1.569) 4.154 40.610 ( -4.455 11.272 0.700) 12.141 41.206 ( -1.381 2.994 -2.143) 3.932 41.282 ( -3.739 -4.463 1.761) 6.082 41.500 ( 0.807 -2.065 -2.613) 3.427 42.235 ( -26.133 34.583 -18.301) 47.051 42.850 ( -7.594 -0.548 -10.375) 12.869 ======================= Grid point 68 (27/108) ======================= q-point: ( 0.18 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( 34.387 8.484 19.730) 40.543 2.216 ( 31.279 18.538 20.768) 41.873 3.276 ( 9.766 -10.624 6.034) 15.641 3.568 ( 44.967 35.326 32.294) 65.672 4.034 ( 15.544 -26.774 -3.489) 31.155 4.884 ( -5.260 2.184 1.644) 5.928 4.971 ( -11.389 3.361 -2.460) 12.127 5.046 ( -9.328 -0.638 -3.708) 10.058 5.348 ( 8.918 8.599 -2.187) 12.580 5.409 ( 2.512 4.121 4.196) 6.395 5.708 ( -12.272 0.950 -4.356) 13.056 6.069 ( -8.908 1.713 -1.288) 9.162 6.104 ( -0.097 -0.070 -2.199) 2.202 6.296 ( -1.285 -1.513 0.657) 2.091 6.745 ( 16.776 -1.222 -5.342) 17.648 6.871 ( 16.305 -24.359 6.597) 30.045 7.001 ( 14.679 -7.043 6.559) 17.552 7.435 ( -12.724 -18.136 2.447) 22.289 8.452 ( -7.030 23.498 2.708) 24.676 8.825 ( -1.209 2.497 -0.671) 2.854 9.010 ( -11.499 4.359 -9.459) 15.514 9.342 ( -11.456 6.753 3.294) 13.700 9.511 ( -14.127 -9.628 -4.580) 17.699 10.062 ( -13.697 -6.312 -6.874) 16.574 12.773 ( 76.536 -2.619 3.230) 76.649 13.805 ( 84.766 -38.247 -7.539) 93.300 16.289 ( 18.519 9.797 -4.733) 21.479 16.651 ( 48.505 -2.719 46.364) 67.155 16.923 ( 16.029 1.343 -27.899) 32.204 16.985 ( 26.024 1.483 -29.108) 39.073 17.721 ( 0.996 1.999 23.430) 23.537 18.267 ( 0.430 -9.229 21.832) 23.707 19.037 ( 9.148 5.382 40.210) 41.587 19.916 ( 10.689 -23.784 32.372) 41.568 21.851 ( 114.820 2.215 9.139) 115.204 22.133 ( 106.297 -2.033 8.656) 106.668 22.403 ( -2.229 5.870 13.568) 14.950 22.979 ( -15.004 -12.584 15.140) 24.752 24.195 ( 1.455 10.780 -9.108) 14.188 24.513 ( 1.871 -0.099 7.858) 8.078 24.858 ( -7.030 5.387 2.529) 9.210 25.112 ( 5.084 13.373 -10.761) 17.902 25.566 ( -2.988 25.885 10.905) 28.247 26.301 ( 5.686 -1.932 6.171) 8.611 26.889 ( 5.450 14.524 26.121) 30.380 26.971 ( -2.884 -3.498 17.068) 17.660 27.436 ( 1.993 -10.632 21.510) 24.077 28.005 ( 17.587 -0.388 -7.838) 19.259 28.705 ( 4.021 -3.146 22.472) 23.044 29.187 ( -5.332 -7.044 -5.416) 10.362 30.016 ( 31.028 5.161 -11.050) 33.339 30.617 ( 32.762 -7.406 -23.053) 40.738 30.858 ( 2.342 3.668 7.340) 8.534 31.387 ( 6.470 -7.731 0.373) 10.088 33.211 ( -16.060 1.184 -13.146) 20.788 33.687 ( 17.083 -14.219 -27.657) 35.481 34.074 ( -17.039 0.848 -1.200) 17.102 34.213 ( -17.995 -1.493 -1.023) 18.086 36.359 ( 5.973 5.172 -8.794) 11.822 36.963 ( 7.590 -4.247 -0.662) 8.723 36.964 ( 4.625 -0.189 5.337) 7.064 37.735 ( -6.827 -21.316 44.776) 50.059 38.363 ( -21.793 5.921 -0.519) 22.589 39.148 ( -18.121 -13.172 1.769) 22.473 39.801 ( -7.192 7.926 3.407) 11.232 40.344 ( -2.576 -4.289 1.594) 5.251 40.466 ( -10.690 11.655 0.710) 15.831 41.134 ( -8.133 -4.596 1.513) 9.463 41.212 ( -1.147 3.853 -2.713) 4.850 41.523 ( 1.511 -2.314 -3.059) 4.123 41.836 ( -14.739 27.440 -8.646) 32.326 42.650 ( -12.411 -2.000 -9.442) 15.722 ======================= Grid point 69 (28/108) ======================= q-point: ( 0.27 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 33.955 5.526 16.167) 38.011 2.844 ( 33.420 9.893 14.578) 37.779 3.487 ( 12.905 -8.915 3.471) 16.065 4.340 ( 13.775 -19.540 -3.840) 24.214 4.374 ( 28.619 17.876 16.941) 37.757 4.760 ( -7.415 2.726 -1.847) 8.113 4.836 ( 6.833 4.558 3.077) 8.771 4.863 ( -9.857 0.582 -1.813) 10.039 5.386 ( -2.731 -0.195 3.580) 4.507 5.430 ( -6.876 2.967 -3.076) 8.096 5.611 ( -2.906 8.961 -7.539) 12.066 5.881 ( 3.450 14.575 1.847) 15.091 5.975 ( -12.903 -5.868 -0.053) 14.175 6.443 ( 11.882 -8.962 -7.640) 16.729 6.986 ( 1.251 -2.370 -10.146) 10.493 7.130 ( -2.836 -3.181 -1.734) 4.601 7.239 ( 15.985 -27.751 14.008) 34.955 7.340 ( 16.217 -3.135 4.338) 17.077 8.335 ( -5.545 17.057 6.908) 19.220 8.676 ( -14.326 5.205 -9.826) 18.135 8.848 ( -4.385 0.383 3.530) 5.642 9.091 ( -13.782 6.065 7.589) 16.862 9.191 ( -18.103 -7.523 -3.890) 19.986 9.747 ( -18.524 -5.907 -5.834) 20.300 14.278 ( 75.674 0.938 0.335) 75.681 15.175 ( 59.066 -25.823 6.776) 64.819 16.563 ( 13.925 19.944 -14.628) 28.383 17.057 ( 1.547 5.221 -8.098) 9.759 17.472 ( 17.226 -2.503 -6.164) 18.466 17.590 ( 36.209 -7.181 15.987) 40.228 17.845 ( 19.340 2.562 21.071) 28.716 18.241 ( -3.344 -6.998 19.378) 20.872 19.175 ( 8.338 5.932 42.167) 43.391 20.188 ( 17.596 -21.021 28.937) 39.861 22.242 ( -13.704 3.060 22.953) 26.907 22.606 ( -21.391 -6.001 19.538) 29.586 23.953 ( 46.323 2.660 -2.683) 46.477 24.402 ( 58.667 -4.369 4.354) 58.991 24.513 ( 94.463 12.473 4.519) 95.390 24.659 ( 16.307 7.806 1.612) 18.151 24.801 ( 42.226 8.905 9.637) 44.217 25.213 ( 4.814 10.517 -10.366) 15.532 25.549 ( 2.394 22.379 12.016) 25.514 26.358 ( -2.324 -7.790 16.048) 17.989 26.981 ( 8.929 -4.662 14.308) 17.498 27.116 ( 14.370 2.806 16.124) 21.780 27.503 ( 5.685 -7.126 15.258) 17.773 28.207 ( 5.258 -0.060 -4.783) 7.109 28.756 ( 0.436 -10.766 14.102) 17.747 29.038 ( -9.990 -7.154 -1.343) 12.361 30.619 ( 15.725 5.565 -8.101) 18.544 30.981 ( 17.524 6.468 3.862) 19.075 31.111 ( 16.227 -3.495 -7.943) 18.402 31.682 ( 30.504 -6.494 -2.530) 31.290 32.917 ( -11.094 8.008 -11.380) 17.796 33.575 ( -31.079 1.470 -1.136) 31.135 33.735 ( -30.672 -1.907 -0.289) 30.733 34.248 ( 34.724 -22.692 -28.526) 50.343 36.489 ( 7.216 6.285 -7.725) 12.298 36.967 ( -0.344 4.619 9.540) 10.605 37.243 ( 16.661 -11.154 -6.299) 21.016 37.642 ( -5.424 -12.367 28.948) 31.943 37.831 ( -32.226 7.032 0.817) 32.994 38.760 ( -20.875 -15.150 0.795) 25.805 39.634 ( -9.767 10.099 4.091) 14.632 40.185 ( -17.930 13.035 0.521) 22.173 40.294 ( -2.702 -5.172 1.872) 6.128 40.920 ( -13.139 -5.673 2.439) 14.518 41.220 ( 1.416 5.207 -4.133) 6.797 41.558 ( 1.741 -0.584 -4.150) 4.538 41.627 ( -7.263 16.543 -5.776) 18.968 42.393 ( -13.647 -2.984 -8.391) 16.296 ======================= Grid point 70 (29/108) ======================= q-point: ( 0.36 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( 28.809 4.050 11.144) 31.153 3.469 ( 29.594 4.751 10.786) 31.855 3.808 ( 21.108 -7.497 3.092) 22.612 4.413 ( -3.511 -5.640 -1.694) 6.856 4.495 ( -4.860 5.391 2.553) 7.694 4.640 ( -13.424 5.042 1.617) 14.430 4.801 ( 7.342 -2.191 -5.990) 9.725 5.088 ( -3.073 -7.718 2.907) 8.801 5.258 ( -6.932 5.633 -0.531) 8.948 5.348 ( 0.743 -2.808 -1.766) 3.400 5.592 ( -5.975 -3.634 0.532) 7.014 5.734 ( 11.647 15.038 8.646) 20.894 6.202 ( 19.141 11.189 -10.948) 24.727 6.500 ( -13.107 -16.121 -11.732) 23.861 6.880 ( 4.361 -1.159 0.115) 4.514 7.195 ( 3.191 10.152 -14.265) 17.797 7.569 ( 15.233 -22.321 14.827) 30.824 7.702 ( 17.976 -3.024 1.439) 18.286 8.192 ( -9.843 9.464 5.086) 14.571 8.430 ( -7.842 7.567 -1.534) 11.005 8.741 ( -7.955 -2.611 4.651) 9.578 8.835 ( -15.949 -0.406 2.143) 16.098 8.854 ( -10.555 0.505 7.379) 12.888 9.359 ( -21.058 -4.740 -3.967) 21.947 15.620 ( 61.231 -0.568 -1.617) 61.255 16.093 ( 35.130 -14.638 4.062) 38.273 16.875 ( 12.480 12.670 7.378) 19.254 17.046 ( 4.658 14.168 -2.615) 15.142 17.611 ( -2.864 -3.853 -2.912) 5.615 17.915 ( 11.067 -4.942 -8.902) 15.038 18.133 ( -7.430 -2.478 15.369) 17.250 18.360 ( 14.133 -5.789 13.219) 20.199 19.550 ( 34.162 8.358 55.041) 65.318 20.592 ( 23.699 -15.862 27.189) 39.402 21.847 ( -27.104 2.091 33.959) 43.499 22.143 ( -25.874 -4.553 24.125) 35.668 24.184 ( 5.406 13.211 -8.313) 16.518 24.569 ( -6.697 14.145 -0.791) 15.670 24.652 ( 8.287 4.659 9.017) 13.103 25.210 ( -4.239 10.030 -3.481) 11.432 25.581 ( 7.867 19.255 12.706) 24.374 26.138 ( -3.656 -1.056 12.665) 13.224 26.764 ( 70.894 -1.224 13.120) 72.108 27.018 ( 111.090 0.489 5.540) 111.229 27.200 ( 12.188 -15.181 6.178) 20.425 27.464 ( 19.104 -14.884 12.691) 27.342 27.875 ( 52.687 5.616 6.839) 53.425 28.282 ( 3.439 -1.433 2.246) 4.350 28.736 ( -4.679 -9.295 2.630) 10.733 28.833 ( -4.298 -8.456 7.202) 11.910 30.700 ( -1.534 6.812 -4.569) 8.345 31.205 ( 5.973 7.434 -3.403) 10.125 31.352 ( 8.612 -5.616 -5.111) 11.481 32.185 ( -0.023 -17.080 -6.826) 18.394 32.799 ( -46.669 1.908 1.212) 46.724 32.974 ( -43.394 -0.869 0.041) 43.403 33.258 ( 52.154 21.496 -3.117) 56.496 35.037 ( 44.790 -21.651 -22.471) 54.588 36.627 ( 6.010 7.153 -6.418) 11.335 36.859 ( -23.279 1.499 4.124) 23.689 37.119 ( -25.338 12.689 1.577) 28.382 37.425 ( -16.440 -10.827 11.625) 22.861 37.646 ( 17.202 -13.704 -2.040) 22.088 38.425 ( -11.378 -20.840 4.552) 24.176 39.439 ( -9.631 13.917 5.178) 17.699 39.787 ( -21.933 17.007 1.129) 27.777 40.259 ( -0.593 -6.308 2.129) 6.684 40.652 ( -13.677 -6.319 2.826) 15.329 41.260 ( 2.680 5.947 -4.775) 8.084 41.489 ( -5.402 12.597 -6.076) 14.992 41.637 ( 4.497 -2.294 -3.951) 6.410 42.137 ( -12.440 -3.163 -7.345) 14.789 ======================= Grid point 71 (30/108) ======================= q-point: ( 0.45 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.867 ( 18.684 -0.923 5.431) 19.479 3.975 ( 18.382 3.220 8.278) 20.416 4.239 ( 15.731 -8.244 3.092) 18.028 4.329 ( -4.566 -0.005 1.791) 4.904 4.399 ( -6.318 6.743 1.897) 9.434 4.408 ( -2.182 6.494 1.546) 7.023 4.766 ( -13.788 9.247 3.627) 16.994 4.818 ( -9.698 4.359 -0.641) 10.652 5.206 ( -0.401 -7.472 -3.709) 8.352 5.295 ( -11.891 -11.764 -1.340) 16.781 5.603 ( 20.640 -16.375 -7.147) 27.299 6.026 ( -17.492 -13.500 -8.184) 23.563 6.283 ( 17.721 16.145 5.303) 24.553 6.492 ( 3.062 12.165 -5.900) 13.863 7.021 ( 8.495 8.378 -9.017) 14.956 7.193 ( -5.070 8.350 -18.080) 20.550 7.779 ( 5.512 -13.370 11.875) 18.712 7.838 ( -2.894 -5.039 2.373) 6.276 8.189 ( 10.816 -0.458 2.824) 11.188 8.342 ( -4.231 1.482 5.127) 6.811 8.578 ( -5.837 -1.196 4.698) 7.588 8.591 ( -6.422 2.538 8.022) 10.585 8.765 ( 1.279 -0.478 6.249) 6.397 8.965 ( -17.952 -2.445 -0.799) 18.135 16.498 ( 22.393 -2.100 -1.335) 22.531 16.704 ( 34.903 -0.681 0.623) 34.915 16.796 ( -7.853 4.500 6.489) 11.136 17.320 ( -16.997 0.237 1.908) 17.105 17.492 ( 18.411 5.084 5.930) 19.999 17.873 ( -15.370 2.624 16.347) 22.591 18.183 ( 11.584 -5.081 -8.463) 15.219 18.381 ( -7.248 -5.709 -0.314) 9.232 20.370 ( 45.321 5.595 52.425) 69.524 21.086 ( 25.690 -9.925 27.373) 38.830 21.203 ( -37.701 2.938 43.845) 57.900 21.622 ( -27.568 -6.135 26.745) 38.896 24.300 ( 6.632 15.620 -6.088) 18.029 24.434 ( -7.098 15.988 -3.177) 17.779 24.842 ( 11.029 6.782 8.352) 15.408 25.058 ( -10.475 8.753 4.420) 14.349 25.754 ( 9.892 12.773 11.188) 19.651 25.955 ( -10.654 6.242 13.047) 17.964 27.299 ( 6.921 -21.245 6.222) 23.194 27.343 ( 2.217 -20.459 9.571) 22.696 27.903 ( 23.809 1.389 4.804) 24.328 28.243 ( 4.565 -4.478 3.924) 7.503 28.296 ( 2.463 -4.697 6.248) 8.195 28.488 ( -12.358 -2.109 6.215) 13.993 29.564 ( 75.145 -1.495 1.778) 75.181 29.612 ( 94.676 -0.393 2.253) 94.703 30.532 ( -21.543 6.737 -4.353) 22.988 31.165 ( -49.504 -5.005 -3.458) 49.877 31.353 ( 13.893 5.640 -2.044) 15.133 31.934 ( -12.007 -2.887 -4.093) 13.010 31.985 ( -48.275 -0.686 1.717) 48.311 32.060 ( -16.808 -6.707 -2.809) 18.314 34.580 ( 71.810 13.316 -1.812) 73.056 35.887 ( -55.134 6.154 -1.933) 55.510 35.928 ( 38.823 -14.566 -12.678) 43.361 36.656 ( -17.816 -0.725 -8.277) 19.659 36.935 ( -7.486 2.959 5.160) 9.561 36.981 ( -11.455 4.060 2.978) 12.513 38.025 ( 18.321 -22.506 -1.084) 29.040 38.279 ( -7.624 -26.211 4.379) 27.647 39.304 ( -2.613 20.328 5.659) 21.262 39.411 ( -14.213 22.686 3.371) 26.982 40.287 ( 3.923 -6.977 2.565) 8.405 40.420 ( -9.747 -6.956 2.885) 12.317 41.320 ( 3.489 7.228 -5.245) 9.588 41.395 ( -4.282 9.346 -5.627) 11.720 41.751 ( 7.247 -2.590 -5.086) 9.224 41.918 ( -10.034 -2.894 -6.248) 12.169 ======================= Grid point 77 (31/108) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 0.000 32.296 16.297) 36.175 2.114 ( 0.000 38.608 11.069) 40.163 2.650 ( 0.000 -24.896 11.185) 27.293 2.944 ( 0.000 -36.759 3.029) 36.883 3.686 ( 0.000 57.609 36.500) 68.198 4.786 ( 0.000 -37.103 19.719) 42.018 5.245 ( 0.000 8.842 -4.401) 9.877 5.260 ( 0.000 9.690 7.748) 12.407 5.380 ( 0.000 -4.401 -4.047) 5.979 5.574 ( 0.000 1.478 -1.355) 2.005 5.589 ( 0.000 -11.442 2.246) 11.661 5.894 ( 0.000 -12.856 -4.395) 13.587 6.024 ( 0.000 0.958 0.199) 0.979 6.089 ( 0.000 -5.414 -1.876) 5.730 6.371 ( 0.000 3.539 -4.128) 5.438 6.471 ( 0.000 -4.772 -4.834) 6.792 6.829 ( 0.000 18.337 8.275) 20.118 7.262 ( 0.000 -20.844 7.220) 22.059 8.978 ( 0.000 9.363 -7.235) 11.832 9.123 ( 0.000 1.865 -7.345) 7.578 9.283 ( 0.000 10.592 0.142) 10.593 9.597 ( 0.000 -13.388 0.255) 13.391 9.690 ( 0.000 24.321 -0.130) 24.322 10.049 ( 0.000 21.712 6.653) 22.708 10.110 ( 0.000 -14.378 -5.918) 15.548 10.595 ( 0.000 -25.814 7.868) 26.987 15.385 ( 0.000 4.531 59.760) 59.932 15.487 ( 0.000 -4.474 56.941) 57.117 16.610 ( 0.000 5.943 -55.017) 55.337 16.663 ( 0.000 2.385 -54.337) 54.389 17.781 ( 0.000 5.607 30.350) 30.863 17.958 ( 0.000 -10.220 27.871) 29.685 18.667 ( 0.000 6.305 35.946) 36.495 18.868 ( 0.000 -12.804 32.697) 35.114 19.939 ( 0.000 7.239 15.900) 17.470 20.094 ( 0.000 -6.310 12.376) 13.892 22.663 ( 0.000 13.175 6.453) 14.671 22.951 ( 0.000 -13.192 4.486) 13.934 24.287 ( 0.000 5.402 -4.821) 7.240 24.408 ( 0.000 -5.645 1.076) 5.746 25.135 ( 0.000 9.134 -8.140) 12.235 25.281 ( 0.000 1.407 -18.898) 18.950 26.177 ( 0.000 20.791 10.015) 23.077 26.258 ( 0.000 8.675 18.443) 20.381 26.832 ( 0.000 -12.091 24.608) 27.418 26.950 ( 0.000 -22.954 36.944) 43.494 27.275 ( 0.000 7.432 0.588) 7.455 27.436 ( 0.000 -7.102 0.976) 7.169 28.839 ( 0.000 13.014 14.056) 19.155 29.145 ( 0.000 -13.783 7.471) 15.677 29.325 ( 0.000 12.925 -27.575) 30.454 29.496 ( 0.000 -4.790 -18.660) 19.265 30.928 ( 0.000 5.037 11.613) 12.658 31.076 ( 0.000 -8.574 14.020) 16.434 33.560 ( 0.000 2.215 -20.345) 20.465 33.588 ( 0.000 -0.627 -18.129) 18.140 34.440 ( 0.000 2.526 -1.601) 2.990 34.497 ( 0.000 -2.577 -1.582) 3.024 36.360 ( 0.000 7.668 -8.886) 11.737 36.547 ( 0.000 -9.096 -8.667) 12.564 37.067 ( 0.000 7.442 21.067) 22.342 37.334 ( 0.000 -19.362 36.029) 40.902 38.947 ( 0.000 10.098 -0.256) 10.101 39.210 ( 0.000 -14.011 1.438) 14.085 40.120 ( 0.000 9.001 2.477) 9.336 40.293 ( 0.000 -6.552 1.785) 6.790 40.914 ( 0.000 12.052 1.442) 12.138 41.151 ( 0.000 -9.499 1.917) 9.690 41.320 ( 0.000 5.149 -2.405) 5.683 41.426 ( 0.000 -4.219 -2.468) 4.888 42.875 ( 0.000 4.697 -18.804) 19.382 42.921 ( 0.000 -0.634 -12.774) 12.789 ======================= Grid point 78 (32/108) ======================= q-point: ( 0.09 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 12.208 30.147 13.578) 35.245 2.311 ( 17.955 33.815 12.093) 40.151 2.729 ( 7.762 -23.727 9.639) 26.761 3.071 ( 12.491 -34.777 2.820) 37.059 3.900 ( 21.157 52.619 32.444) 65.337 4.848 ( 3.434 -26.716 15.200) 30.929 5.191 ( -5.141 4.283 -3.165) 7.402 5.254 ( -10.291 -0.346 -3.672) 10.932 5.329 ( 4.104 5.944 6.019) 9.402 5.558 ( 0.825 9.691 -2.751) 10.108 5.647 ( 5.992 -20.842 3.573) 21.978 5.840 ( 0.918 -9.593 -4.395) 10.592 6.035 ( -2.348 -1.258 1.259) 2.946 6.132 ( -0.424 -8.624 -1.885) 8.838 6.486 ( 13.059 5.830 -4.724) 15.061 6.596 ( 8.994 -2.068 -4.946) 10.471 6.781 ( -2.214 14.849 9.797) 17.927 7.194 ( -6.771 -20.713 7.237) 22.962 8.957 ( -2.319 8.521 -6.599) 11.024 9.073 ( -6.524 6.256 -5.965) 10.829 9.184 ( -7.979 5.173 -1.750) 9.669 9.433 ( -6.528 -11.186 -1.017) 12.991 9.777 ( -6.087 13.625 -3.918) 15.428 10.064 ( -6.537 -11.889 -6.241) 14.934 11.103 ( 90.533 0.502 4.121) 90.628 11.315 ( 72.842 -15.779 5.260) 74.717 15.715 ( 32.264 3.287 53.081) 62.204 15.802 ( 31.078 -4.250 50.688) 59.609 16.743 ( 9.883 4.126 -49.143) 50.297 16.761 ( 10.148 2.823 -51.243) 52.315 17.800 ( 1.346 6.511 27.932) 28.712 17.993 ( 2.520 -10.742 25.605) 27.882 18.917 ( 19.734 9.059 40.198) 45.688 19.190 ( 21.845 -17.023 39.135) 47.943 20.301 ( 48.173 9.829 10.572) 50.289 20.493 ( 47.089 -7.570 9.759) 48.682 22.647 ( -1.954 11.895 8.305) 14.638 22.908 ( -4.661 -11.946 6.663) 14.451 24.304 ( 1.753 5.114 -5.005) 7.367 24.415 ( 0.949 -5.036 0.987) 5.219 25.119 ( -1.430 10.632 -8.563) 13.727 25.291 ( 1.149 0.742 -19.236) 19.284 26.161 ( -1.232 21.092 10.429) 23.562 26.258 ( 0.244 8.793 17.950) 19.990 26.802 ( -2.806 -12.944 24.440) 27.798 26.914 ( -2.134 -19.929 32.833) 38.467 27.418 ( 7.390 9.298 5.704) 13.176 27.570 ( 16.065 -3.494 1.369) 16.497 28.815 ( -2.805 11.125 13.653) 17.834 29.071 ( -4.521 -10.666 1.460) 11.676 29.645 ( 16.921 0.826 -17.312) 24.222 29.686 ( 31.845 -2.956 -23.227) 39.526 30.935 ( 0.927 5.660 10.625) 12.074 31.096 ( 2.184 -8.971 12.476) 15.521 33.476 ( -8.464 0.705 -17.911) 19.822 33.493 ( -7.759 -0.909 -18.202) 19.807 34.362 ( -8.173 2.478 -1.437) 8.660 34.418 ( -8.247 -2.545 -1.424) 8.748 36.403 ( 4.299 8.020 -8.905) 12.732 36.598 ( 5.191 -9.487 -8.598) 13.815 37.074 ( 0.795 7.704 19.878) 21.334 37.331 ( -0.097 -17.378 33.233) 37.503 38.848 ( -10.241 10.299 -0.196) 14.526 39.114 ( -9.844 -13.983 1.193) 17.142 40.092 ( -2.874 9.240 2.479) 9.989 40.271 ( -2.177 -6.874 1.810) 7.434 40.874 ( -4.324 12.042 1.597) 12.894 41.109 ( -4.399 -9.250 2.028) 10.441 41.321 ( 0.040 5.179 -2.695) 5.839 41.429 ( 0.407 -4.378 -2.779) 5.201 42.683 ( -17.056 10.659 -15.315) 25.280 42.816 ( -10.318 -3.049 -11.989) 16.109 ======================= Grid point 79 (33/108) ======================= q-point: ( 0.18 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 21.981 21.145 10.765) 32.344 2.740 ( 25.175 28.029 10.583) 39.133 2.934 ( 13.181 -19.476 7.020) 24.543 3.395 ( 20.055 -30.818 1.508) 36.799 4.404 ( 26.559 35.606 22.579) 49.829 4.869 ( -0.989 -6.942 7.211) 10.059 5.017 ( -12.127 1.209 -2.449) 12.430 5.032 ( -9.875 -0.239 -3.671) 10.538 5.421 ( 6.067 7.501 6.843) 11.828 5.670 ( 6.175 7.261 -5.257) 10.886 5.740 ( 0.543 1.816 -6.174) 6.459 5.925 ( 4.028 -6.731 -5.336) 9.487 6.056 ( -2.786 -10.069 -0.397) 10.455 6.067 ( 10.415 -23.163 14.705) 29.347 6.540 ( -9.031 13.409 3.999) 16.653 6.784 ( 12.113 -0.158 -6.702) 13.844 6.974 ( 16.586 -2.029 1.770) 16.803 7.038 ( -5.284 -14.993 7.795) 17.705 8.859 ( -8.733 11.498 -4.215) 15.041 8.924 ( -7.251 6.412 -2.824) 10.083 9.022 ( -9.133 0.188 -2.890) 9.582 9.247 ( -12.313 -13.314 -1.137) 18.170 9.587 ( -12.683 13.482 -1.759) 18.593 9.866 ( -13.335 -11.427 -5.256) 18.331 12.785 ( 85.838 5.897 3.259) 86.102 13.097 ( 91.991 -23.714 0.418) 94.999 16.467 ( 37.217 6.375 22.963) 44.193 16.577 ( 45.604 -4.075 37.783) 59.363 16.967 ( 14.073 2.261 -28.920) 32.241 17.000 ( 15.072 -0.422 -33.333) 36.584 17.825 ( 1.607 7.536 21.621) 22.953 18.033 ( 1.644 -11.085 21.915) 24.614 19.193 ( 8.771 9.280 41.181) 43.115 19.465 ( 10.226 -16.433 40.673) 45.043 21.935 ( 111.491 5.086 8.726) 111.948 22.051 ( 108.450 -5.063 8.722) 108.917 22.568 ( -6.505 8.685 14.083) 17.779 22.760 ( -10.869 -8.895 12.430) 18.755 24.362 ( 4.902 5.580 -5.830) 9.442 24.464 ( 4.807 -3.880 0.194) 6.181 25.090 ( -1.489 14.496 -8.279) 16.760 25.327 ( 2.422 -1.308 -18.517) 18.721 26.139 ( -1.000 23.855 10.693) 26.161 26.280 ( 2.128 8.738 19.542) 21.512 26.736 ( -3.656 -14.678 21.933) 26.644 26.883 ( -1.207 -21.201 29.107) 36.029 27.534 ( 6.132 20.929 10.611) 24.253 27.908 ( 14.787 -11.002 -0.683) 18.444 28.730 ( -5.714 7.102 11.925) 15.010 28.966 ( -6.699 -12.298 1.700) 14.108 30.184 ( 37.253 9.914 -14.111) 41.051 30.416 ( 38.410 -10.645 -20.595) 44.864 30.980 ( 4.561 7.690 8.468) 12.315 31.180 ( 7.687 -10.233 8.122) 15.158 33.262 ( -10.776 3.991 -14.946) 18.853 33.407 ( 1.173 -9.887 -18.447) 20.962 34.112 ( -18.063 2.362 -0.809) 18.235 34.167 ( -18.087 -2.525 -0.838) 18.282 36.518 ( 7.424 9.193 -8.544) 14.582 36.742 ( 9.532 -10.924 -8.064) 16.590 37.098 ( 1.537 8.456 16.820) 18.888 37.341 ( 1.184 -14.358 26.853) 30.474 38.550 ( -20.533 11.137 -0.133) 23.359 38.833 ( -18.963 -14.566 0.611) 23.919 40.010 ( -5.436 10.237 2.602) 11.879 40.212 ( -3.842 -7.875 1.914) 8.969 40.738 ( -9.941 12.302 1.829) 15.922 40.976 ( -9.380 -9.400 2.176) 13.456 41.326 ( 0.644 5.840 -3.304) 6.740 41.445 ( 1.256 -4.771 -3.270) 5.919 42.324 ( -18.019 16.220 -10.681) 26.492 42.563 ( -14.777 -6.694 -10.123) 19.122 ======================= Grid point 80 (34/108) ======================= q-point: ( 0.27 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 26.482 11.093 8.561) 29.961 3.224 ( 19.520 -6.272 4.541) 21.000 3.264 ( 25.426 16.170 8.094) 31.201 3.809 ( 21.433 -26.238 -0.444) 33.882 4.706 ( 1.647 10.029 5.776) 11.690 4.818 ( -7.503 1.887 -1.644) 7.909 4.852 ( -4.269 -1.636 -0.909) 4.661 4.886 ( -0.128 -1.707 3.486) 3.884 5.495 ( -13.824 7.520 -3.909) 16.215 5.612 ( 1.778 3.530 -0.722) 4.018 5.801 ( 4.891 17.167 7.575) 19.391 5.951 ( 2.293 7.779 -5.386) 9.735 6.150 ( 5.210 -0.360 -1.327) 5.388 6.232 ( 5.079 -5.587 -0.350) 7.559 6.585 ( 18.399 -22.545 14.342) 32.442 6.714 ( -8.386 -17.050 3.273) 19.280 7.217 ( 15.201 5.967 -3.388) 16.677 7.312 ( 17.415 -2.240 -0.397) 17.563 8.651 ( -12.095 11.380 -0.052) 16.607 8.749 ( -12.033 1.246 -6.548) 13.756 8.846 ( -8.377 0.603 1.591) 8.548 8.982 ( -14.238 -10.273 1.056) 17.589 9.309 ( -15.517 12.179 1.831) 19.810 9.565 ( -17.370 -10.606 -3.273) 20.614 14.367 ( 75.342 8.394 2.316) 75.843 14.667 ( 70.063 -19.253 4.494) 72.799 16.951 ( 15.859 15.133 -12.002) 24.992 17.161 ( 10.092 -0.193 -23.661) 25.724 17.368 ( 20.641 -2.963 18.450) 27.843 17.447 ( 26.792 -5.789 6.287) 28.122 17.929 ( 12.717 5.093 18.474) 22.998 18.069 ( 2.728 -7.793 18.371) 20.141 19.369 ( 12.801 12.200 44.498) 47.883 19.717 ( 17.946 -19.883 41.051) 49.016 22.339 ( -16.343 5.688 22.119) 28.084 22.473 ( -18.799 -6.293 19.785) 28.008 24.067 ( 64.744 7.211 0.284) 65.145 24.243 ( 72.572 -8.398 3.211) 73.127 24.735 ( 70.014 6.354 -0.825) 70.306 24.790 ( 59.675 1.477 0.065) 59.694 25.076 ( 5.851 16.863 -3.222) 18.138 25.364 ( 0.936 -3.784 -14.051) 14.582 26.126 ( -0.093 26.964 11.573) 29.343 26.328 ( 2.614 10.921 23.406) 25.961 26.684 ( -0.830 -18.564 14.744) 23.722 26.870 ( 0.241 -24.321 24.389) 34.444 27.690 ( 10.815 20.846 10.655) 25.788 28.116 ( 7.818 -13.448 -0.193) 15.557 28.603 ( -7.206 2.374 10.677) 13.098 28.807 ( -9.634 -12.533 2.513) 16.007 30.785 ( 15.072 8.916 -9.245) 19.803 30.971 ( 16.566 -7.499 -9.275) 20.413 31.210 ( 19.525 12.117 2.146) 23.079 31.480 ( 23.817 -11.653 -0.356) 26.517 33.186 ( 7.810 16.822 -13.419) 22.892 33.580 ( -8.131 -8.752 -10.479) 15.891 33.669 ( -23.829 -3.150 -1.512) 24.083 33.747 ( -2.844 -13.478 -6.076) 15.055 36.682 ( 9.227 11.215 -7.449) 16.322 36.957 ( 11.954 -13.354 -6.539) 19.078 37.121 ( 0.300 8.788 12.651) 15.406 37.358 ( -0.690 -12.599 19.379) 23.125 38.058 ( -29.707 13.426 -0.145) 32.600 38.395 ( -25.403 -17.063 0.117) 30.602 39.890 ( -6.656 12.252 2.995) 14.261 40.131 ( -4.214 -9.484 2.168) 10.602 40.487 ( -15.690 13.442 2.090) 20.766 40.746 ( -14.064 -10.167 2.403) 17.520 41.353 ( 2.201 6.512 -3.896) 7.901 41.482 ( 2.635 -5.024 -3.748) 6.799 42.017 ( -13.632 15.749 -8.144) 22.365 42.276 ( -14.296 -8.254 -8.522) 18.577 ======================= Grid point 81 (35/108) ======================= q-point: ( 0.36 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 25.567 4.780 6.469) 26.803 3.618 ( 22.282 -8.665 3.510) 24.164 3.764 ( 23.800 17.204 5.442) 29.867 4.154 ( 11.806 -16.853 -0.980) 20.600 4.653 ( -4.867 8.318 1.460) 9.747 4.756 ( -4.467 4.330 -1.026) 6.305 4.773 ( 4.025 -0.987 -4.242) 5.931 4.894 ( 0.787 -9.410 2.304) 9.719 5.199 ( -14.059 1.845 -3.859) 14.695 5.352 ( -18.911 -9.961 -1.636) 21.436 5.678 ( -19.345 16.905 -1.713) 25.748 6.040 ( -12.921 -12.072 -4.745) 18.309 6.304 ( 22.551 20.414 6.919) 31.195 6.465 ( 18.385 8.847 -4.100) 20.811 6.770 ( 12.945 -6.775 3.029) 14.922 6.985 ( 18.323 -25.399 14.246) 34.407 7.471 ( 10.984 9.820 -7.865) 16.701 7.635 ( 15.257 -4.625 -3.491) 16.320 8.383 ( -15.968 7.378 -0.734) 17.605 8.486 ( -13.971 -1.744 -3.658) 14.547 8.693 ( -7.413 -0.646 4.530) 8.712 8.739 ( -8.972 -4.338 4.573) 10.965 9.010 ( -14.655 9.537 6.220) 18.558 9.213 ( -18.361 -8.457 -0.145) 20.215 15.654 ( 56.668 4.460 1.879) 56.874 15.819 ( 49.099 -10.407 5.630) 50.505 17.124 ( -0.713 11.914 6.986) 13.829 17.342 ( 8.742 0.196 -12.490) 15.247 17.505 ( 0.237 5.116 5.246) 7.331 17.765 ( 10.993 -10.499 -13.943) 20.627 18.117 ( 0.124 2.465 14.176) 14.389 18.222 ( 8.730 -6.219 13.300) 17.081 19.807 ( 33.043 15.074 50.053) 61.842 20.189 ( 29.921 -19.368 40.109) 53.657 21.920 ( -26.878 4.512 31.129) 41.374 22.032 ( -26.488 -5.443 26.967) 38.190 24.477 ( 10.533 12.122 -7.080) 17.551 24.662 ( 11.571 -4.168 -0.114) 12.300 24.976 ( -4.667 20.264 -5.415) 21.488 25.306 ( -5.881 -6.181 -8.321) 11.917 26.132 ( 2.585 28.298 12.098) 30.884 26.253 ( 5.630 15.035 16.613) 23.102 26.644 ( 21.740 -14.839 12.135) 28.984 26.760 ( 12.503 -23.310 12.223) 29.139 27.031 ( 101.785 1.086 8.835) 102.173 27.135 ( 68.574 -10.276 12.888) 70.527 28.053 ( 36.842 11.343 6.920) 39.165 28.281 ( 10.334 -2.610 0.576) 10.674 28.487 ( 0.490 -7.519 9.639) 12.235 28.600 ( -10.781 -11.280 4.815) 16.329 30.909 ( 1.204 11.636 -5.728) 13.025 31.162 ( 5.115 -10.635 -5.931) 13.208 31.455 ( 5.369 14.251 -3.949) 15.732 31.805 ( 4.506 -17.327 -5.186) 18.639 32.857 ( -46.835 3.169 1.157) 46.956 32.926 ( -46.377 -2.994 0.982) 46.484 33.806 ( 51.578 28.135 -8.109) 59.309 34.450 ( 49.400 -30.097 -14.249) 59.575 36.837 ( 0.300 11.282 -5.235) 12.441 36.962 ( -16.621 6.087 2.995) 17.952 37.159 ( -9.668 -9.404 6.127) 14.814 37.285 ( 5.358 -12.725 1.130) 13.853 37.502 ( -20.766 16.191 1.959) 26.405 37.943 ( -17.383 -22.236 2.159) 28.306 39.771 ( -4.920 15.190 3.591) 16.366 40.064 ( -2.180 -11.290 2.572) 11.783 40.155 ( -17.446 15.745 2.712) 23.656 40.456 ( -15.008 -11.623 2.832) 19.192 41.411 ( 3.839 7.232 -4.546) 9.365 41.550 ( 4.514 -5.202 -4.432) 8.190 41.791 ( -9.911 13.005 -6.849) 17.727 42.020 ( -11.950 -7.876 -7.313) 16.072 ======================= Grid point 82 (36/108) ======================= q-point: ( 0.45 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.901 ( 19.102 4.378 4.164) 20.034 4.046 ( 18.695 -8.144 3.006) 20.612 4.087 ( 5.152 6.520 3.896) 9.178 4.241 ( -1.972 -6.517 0.863) 6.864 4.590 ( -0.007 9.396 0.154) 9.397 4.650 ( -5.261 13.129 1.096) 14.186 4.803 ( -1.145 -5.931 0.828) 6.097 4.935 ( -12.050 1.905 -0.673) 12.219 5.013 ( 3.530 -7.783 -2.911) 9.028 5.212 ( 10.397 -7.845 -6.675) 14.636 5.301 ( -12.660 6.306 -2.925) 14.443 5.651 ( -22.851 -18.307 -7.318) 30.180 6.719 ( 15.140 20.139 6.782) 26.092 6.773 ( 9.818 12.907 -2.581) 16.421 7.032 ( 11.449 -6.880 -0.831) 13.383 7.170 ( -0.697 -14.194 2.754) 14.476 7.690 ( 12.785 9.218 -4.505) 16.393 7.861 ( 4.599 1.347 -3.897) 6.177 8.084 ( -9.405 -3.875 -3.848) 10.876 8.215 ( -13.735 -9.832 -0.897) 16.915 8.619 ( 1.766 3.778 8.745) 9.688 8.679 ( 1.794 0.416 5.885) 6.167 8.768 ( -8.730 3.638 9.612) 13.485 8.883 ( -14.526 -5.023 3.788) 15.830 16.514 ( 31.252 3.547 2.853) 31.582 16.625 ( 35.937 -5.613 4.467) 36.646 16.953 ( -15.583 9.601 7.308) 19.708 17.181 ( -20.763 -10.284 5.104) 23.726 17.728 ( 16.770 13.511 -3.053) 21.751 17.982 ( 3.678 -1.256 -2.083) 4.409 18.030 ( -1.805 -0.961 0.805) 2.197 18.212 ( -7.557 -9.282 2.488) 12.225 20.551 ( 40.624 10.829 46.590) 62.755 20.820 ( 33.866 -13.313 37.163) 52.012 21.305 ( -36.086 6.294 39.522) 53.887 21.463 ( -31.764 -7.818 32.829) 46.345 24.673 ( 9.820 15.935 -6.246) 19.733 24.844 ( -5.956 17.315 -4.137) 18.773 24.902 ( 10.442 -1.820 -0.574) 10.615 25.133 ( -11.277 -4.871 -2.018) 12.449 26.185 ( 3.100 25.380 12.339) 28.390 26.242 ( -2.496 21.031 15.001) 25.953 26.762 ( 3.449 -26.808 10.318) 28.931 26.806 ( -1.036 -27.556 13.059) 30.511 27.941 ( 19.305 4.529 7.003) 21.030 28.113 ( 15.731 -9.279 7.356) 19.689 28.224 ( -10.467 1.528 5.825) 12.076 28.350 ( -11.891 -8.431 6.317) 15.887 29.560 ( 86.263 1.076 1.438) 86.282 29.591 ( 93.372 -1.416 1.874) 93.401 30.743 ( -27.305 11.800 -5.145) 30.187 30.995 ( -37.359 -10.392 -4.626) 39.053 31.531 ( 6.659 10.419 -3.702) 12.907 31.776 ( -2.567 -11.095 -5.838) 12.797 31.966 ( -34.076 -0.633 1.176) 34.102 31.972 ( -40.810 -1.135 1.933) 40.872 34.970 ( 63.050 21.642 -4.499) 66.813 35.475 ( 53.787 -23.597 -8.496) 59.347 36.125 ( -53.961 13.625 -1.640) 55.679 36.449 ( -44.296 -14.935 -3.297) 46.862 37.119 ( 7.834 15.404 0.622) 17.292 37.266 ( -7.102 18.046 2.385) 19.539 37.533 ( 12.079 -21.649 -0.310) 24.793 37.729 ( -8.399 -23.873 2.866) 25.469 39.731 ( 1.670 18.073 3.964) 18.578 39.860 ( -11.670 18.394 3.542) 22.070 40.070 ( 3.213 -12.931 3.039) 13.666 40.202 ( -10.419 -12.989 3.144) 16.945 41.501 ( 5.449 8.461 -5.274) 11.362 41.623 ( -6.766 10.005 -6.132) 13.545 41.661 ( 6.187 -5.403 -5.175) 9.708 41.815 ( -9.276 -6.794 -6.265) 13.094 ======================= Grid point 110 (37/108) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 0.000 0.000 39.971) 39.971 1.981 ( 0.000 0.000 44.870) 44.870 3.389 ( 0.000 0.000 74.510) 74.510 3.467 ( 0.000 0.000 14.182) 14.182 4.108 ( 0.000 0.000 -4.893) 4.893 4.408 ( 0.000 0.000 -6.927) 6.927 5.117 ( 0.000 0.000 -11.577) 11.577 5.233 ( 0.000 0.000 3.151) 3.151 5.393 ( 0.000 0.000 3.298) 3.298 5.695 ( 0.000 0.000 17.717) 17.717 5.822 ( 0.000 0.000 -5.486) 5.486 5.967 ( 0.000 0.000 -10.398) 10.398 6.242 ( 0.000 0.000 1.696) 1.696 6.286 ( 0.000 0.000 -12.374) 12.374 6.430 ( 0.000 0.000 2.413) 2.413 6.560 ( 0.000 0.000 11.592) 11.592 7.431 ( 0.000 0.000 15.836) 15.836 7.910 ( 0.000 0.000 5.244) 5.244 8.446 ( 0.000 0.000 8.241) 8.241 8.534 ( 0.000 0.000 -9.345) 9.345 8.833 ( 0.000 0.000 -19.118) 19.118 9.187 ( 0.000 0.000 4.412) 4.412 9.793 ( 0.000 0.000 -9.221) 9.221 9.882 ( 0.000 0.000 18.155) 18.155 10.156 ( 0.000 0.000 -18.140) 18.140 11.503 ( 0.000 0.000 17.791) 17.791 15.211 ( 0.000 0.000 -58.987) 58.987 15.338 ( 0.000 0.000 -36.715) 36.715 16.800 ( 0.000 0.000 74.335) 74.335 17.145 ( 0.000 0.000 84.935) 84.935 18.598 ( 0.000 0.000 42.211) 42.211 19.113 ( 0.000 0.000 26.335) 26.335 19.144 ( 0.000 0.000 49.816) 49.816 19.560 ( 0.000 0.000 19.569) 19.569 20.243 ( 0.000 0.000 0.667) 0.667 20.504 ( 0.000 0.000 15.440) 15.440 22.456 ( 0.000 0.000 9.019) 9.019 23.598 ( 0.000 0.000 -18.123) 18.123 23.852 ( 0.000 0.000 -14.024) 14.024 24.072 ( 0.000 0.000 -22.665) 22.665 25.058 ( 0.000 0.000 22.283) 22.283 25.423 ( 0.000 0.000 19.089) 19.089 25.691 ( 0.000 0.000 17.353) 17.353 26.407 ( 0.000 0.000 11.534) 11.534 26.652 ( 0.000 0.000 0.953) 0.953 27.144 ( 0.000 0.000 -2.444) 2.444 27.631 ( 0.000 0.000 -0.053) 0.053 28.317 ( 0.000 0.000 24.710) 24.710 28.734 ( 0.000 0.000 38.247) 38.247 29.263 ( 0.000 0.000 40.451) 40.451 29.358 ( 0.000 0.000 6.780) 6.780 29.607 ( 0.000 0.000 14.963) 14.963 31.127 ( 0.000 0.000 14.503) 14.503 31.267 ( 0.000 0.000 -10.613) 10.613 33.195 ( 0.000 0.000 -22.358) 22.358 33.331 ( 0.000 0.000 -3.095) 3.095 34.309 ( 0.000 0.000 -5.441) 5.441 34.502 ( 0.000 0.000 -4.541) 4.541 35.872 ( 0.000 0.000 -21.432) 21.432 36.507 ( 0.000 0.000 -21.556) 21.556 37.281 ( 0.000 0.000 19.297) 19.297 38.686 ( 0.000 0.000 -2.423) 2.423 39.245 ( 0.000 0.000 5.949) 5.949 39.961 ( 0.000 0.000 7.580) 7.580 40.407 ( 0.000 0.000 -0.224) 0.224 40.497 ( 0.000 0.000 -0.472) 0.472 40.707 ( 0.000 0.000 2.713) 2.713 40.997 ( 0.000 0.000 -10.442) 10.442 41.353 ( 0.000 0.000 -6.158) 6.158 41.430 ( 0.000 0.000 -5.477) 5.477 41.441 ( 0.000 0.000 3.159) 3.159 42.640 ( 0.000 0.000 -16.766) 16.766 ======================= Grid point 111 (38/108) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 24.654 0.000 33.468) 41.568 2.181 ( 19.570 0.000 40.606) 45.076 3.495 ( 2.618 0.000 12.764) 13.030 3.570 ( 18.905 0.000 68.791) 71.341 4.159 ( 5.172 0.000 -5.232) 7.357 4.498 ( 7.925 0.000 -7.707) 11.055 5.082 ( -3.744 0.000 -9.422) 10.138 5.145 ( -8.449 0.000 3.569) 9.172 5.296 ( -7.644 0.000 2.868) 8.164 5.609 ( -6.909 0.000 10.294) 12.398 5.857 ( 4.662 0.000 -8.873) 10.023 5.877 ( -8.340 0.000 -5.496) 9.988 6.241 ( -7.279 0.000 -2.227) 7.612 6.270 ( 0.899 0.000 2.897) 3.034 6.470 ( 6.555 0.000 -7.285) 9.801 6.692 ( 12.673 0.000 10.072) 16.188 7.477 ( 4.162 0.000 14.078) 14.680 7.995 ( 7.175 0.000 6.942) 9.984 8.155 ( -17.715 0.000 -0.842) 17.735 8.758 ( 11.414 0.000 2.144) 11.614 8.784 ( -5.830 0.000 -18.204) 19.114 9.398 ( 0.883 0.000 -6.048) 6.112 9.666 ( -8.160 0.000 -9.283) 12.360 10.084 ( -7.195 0.000 -17.807) 19.206 11.324 ( 119.482 0.000 -16.270) 120.584 11.946 ( 49.685 0.000 12.950) 51.345 15.364 ( 4.651 0.000 -38.285) 38.566 15.473 ( 23.172 0.000 -52.447) 57.338 17.025 ( 20.973 0.000 65.775) 69.038 17.405 ( 24.675 0.000 79.291) 83.042 18.522 ( -6.793 0.000 38.831) 39.421 19.095 ( -2.637 0.000 45.249) 45.325 19.427 ( 25.122 0.000 33.152) 41.595 20.271 ( 50.612 0.000 15.255) 52.861 20.348 ( 28.216 0.000 10.740) 30.191 20.899 ( 46.041 0.000 16.283) 48.835 22.491 ( 3.593 0.000 8.917) 9.614 23.626 ( 2.723 0.000 -17.207) 17.421 23.754 ( -7.711 0.000 -7.981) 11.098 24.225 ( 12.465 0.000 -22.510) 25.731 24.961 ( -8.212 0.000 19.757) 21.395 25.342 ( -7.881 0.000 19.996) 21.493 25.660 ( -2.599 0.000 20.361) 20.526 26.367 ( 0.693 0.000 15.872) 15.887 26.723 ( 7.130 0.000 1.181) 7.227 27.295 ( 13.845 0.000 -6.832) 15.438 27.879 ( 13.907 0.000 22.326) 26.303 28.333 ( 1.641 0.000 26.512) 26.562 28.815 ( 8.528 0.000 5.217) 9.998 29.255 ( -0.250 0.000 28.164) 28.165 29.494 ( 14.412 0.000 18.348) 23.331 29.785 ( 20.260 0.000 13.454) 24.320 31.095 ( -3.134 0.000 13.565) 13.922 31.266 ( 0.079 0.000 -10.860) 10.860 33.105 ( -9.087 0.000 -21.333) 23.188 33.305 ( -1.378 0.000 -5.802) 5.964 34.236 ( -7.591 0.000 -5.220) 9.212 34.425 ( -8.040 0.000 -4.420) 9.175 35.911 ( 3.905 0.000 -21.000) 21.360 36.580 ( 7.508 0.000 -20.968) 22.272 37.260 ( -2.077 0.000 18.445) 18.561 38.583 ( -10.657 0.000 -2.265) 10.895 39.172 ( -7.444 0.000 11.509) 13.707 39.908 ( -6.779 0.000 8.582) 10.937 40.143 ( -30.728 0.000 8.370) 31.848 40.450 ( -5.161 0.000 -0.893) 5.238 40.522 ( -5.943 0.000 5.862) 8.348 40.990 ( -0.590 0.000 -10.369) 10.386 41.337 ( -1.533 0.000 -6.535) 6.713 41.402 ( -4.335 0.000 3.080) 5.318 41.441 ( 1.004 0.000 -5.584) 5.673 42.578 ( -6.252 0.000 -16.363) 17.516 ======================= Grid point 112 (39/108) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 29.101 0.000 25.195) 38.492 2.677 ( 29.948 0.000 32.592) 44.262 3.563 ( 4.604 0.000 9.556) 10.608 4.102 ( 34.434 0.000 54.625) 64.573 4.302 ( 9.254 0.000 -6.369) 11.235 4.656 ( 5.746 0.000 -8.761) 10.477 4.937 ( -11.779 0.000 2.382) 12.017 4.976 ( -6.636 0.000 -5.217) 8.441 5.167 ( -3.319 0.000 -0.893) 3.437 5.474 ( -7.169 0.000 -0.901) 7.226 5.685 ( -10.338 0.000 1.249) 10.413 5.952 ( -5.009 0.000 -5.781) 7.650 6.099 ( 3.291 0.000 -4.776) 5.801 6.230 ( -5.310 0.000 1.489) 5.515 6.613 ( 6.491 0.000 -11.472) 13.181 6.996 ( 17.038 0.000 9.662) 19.586 7.501 ( -6.959 0.000 0.057) 6.959 7.892 ( -3.683 0.000 9.878) 10.543 8.146 ( 7.408 0.000 9.949) 12.404 8.623 ( -10.265 0.000 -14.219) 17.537 8.935 ( 6.787 0.000 6.658) 9.507 9.318 ( -7.166 0.000 -1.840) 7.399 9.442 ( -14.685 0.000 -9.982) 17.757 9.889 ( -12.714 0.000 -16.593) 20.904 12.896 ( 67.732 0.000 4.569) 67.886 13.797 ( 103.549 0.000 -28.757) 107.468 15.495 ( 9.620 0.000 -31.646) 33.076 16.026 ( 30.672 0.000 -44.057) 53.683 17.471 ( 21.295 0.000 46.359) 51.016 17.938 ( 22.247 0.000 53.722) 58.146 18.402 ( -0.804 0.000 41.524) 41.532 19.033 ( -4.440 0.000 39.708) 39.955 19.847 ( 18.468 0.000 48.603) 51.993 20.573 ( 17.240 0.000 18.967) 25.631 22.097 ( 108.148 0.000 15.805) 109.297 22.398 ( 101.610 0.000 14.564) 102.648 22.593 ( 8.819 0.000 11.579) 14.555 23.587 ( -7.444 0.000 7.222) 10.372 23.696 ( 4.624 0.000 -14.304) 15.033 24.476 ( 11.697 0.000 -16.491) 20.218 24.837 ( -2.104 0.000 9.886) 10.107 25.144 ( -11.742 0.000 21.836) 24.793 25.634 ( 0.835 0.000 25.341) 25.355 26.485 ( 10.367 0.000 14.507) 17.830 26.917 ( 12.496 0.000 2.095) 12.670 27.577 ( 12.752 0.000 -11.729) 17.326 27.954 ( -3.989 0.000 58.464) 58.600 28.381 ( 3.134 0.000 28.105) 28.280 28.964 ( 4.141 0.000 -17.869) 18.342 29.252 ( -0.334 0.000 21.825) 21.828 29.953 ( 32.457 0.000 19.031) 37.625 30.384 ( 36.611 0.000 -2.238) 36.679 31.023 ( -3.438 0.000 10.811) 11.344 31.299 ( 5.196 0.000 -10.297) 11.534 32.862 ( -15.409 0.000 -19.432) 24.800 33.363 ( 10.008 0.000 -15.175) 18.179 34.008 ( -15.991 0.000 -4.406) 16.587 34.182 ( -17.308 0.000 -3.818) 17.724 36.018 ( 6.903 0.000 -19.561) 20.743 36.795 ( 14.608 0.000 -19.414) 24.296 37.206 ( -3.377 0.000 15.872) 16.227 38.269 ( -22.006 0.000 -1.855) 22.084 38.958 ( -15.133 0.000 29.397) 33.064 39.422 ( -30.259 0.000 8.552) 31.444 39.829 ( -8.085 0.000 7.647) 11.129 40.284 ( -12.335 0.000 -2.133) 12.518 40.457 ( -2.536 0.000 3.969) 4.710 40.983 ( 0.084 0.000 -10.192) 10.192 41.270 ( -9.176 0.000 3.247) 9.733 41.296 ( -2.562 0.000 -7.409) 7.840 41.465 ( 1.347 0.000 -5.905) 6.056 42.411 ( -10.545 0.000 -15.342) 18.616 ======================= Grid point 113 (40/108) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 28.090 0.000 18.914) 33.864 3.277 ( 29.971 0.000 24.421) 38.660 3.696 ( 10.498 0.000 7.419) 12.855 4.499 ( 10.403 0.000 -8.232) 13.266 4.613 ( -8.726 0.000 -4.816) 9.967 4.653 ( -1.480 0.000 19.056) 19.113 4.841 ( -7.472 0.000 -1.217) 7.571 4.909 ( 31.169 0.000 21.138) 37.661 5.245 ( 8.598 0.000 -11.641) 14.472 5.311 ( -9.006 0.000 -7.434) 11.678 5.527 ( -5.308 0.000 2.638) 5.928 5.690 ( -14.515 0.000 1.626) 14.606 6.063 ( -11.770 0.000 0.660) 11.788 6.349 ( 16.097 0.000 -12.011) 20.084 6.692 ( 1.589 0.000 -13.609) 13.701 7.068 ( -19.220 0.000 -3.211) 19.486 7.454 ( 16.034 0.000 2.099) 16.171 8.020 ( 12.117 0.000 17.498) 21.284 8.215 ( -3.960 0.000 1.131) 4.118 8.444 ( -4.668 0.000 1.757) 4.987 9.016 ( 1.502 0.000 9.502) 9.620 9.096 ( -17.423 0.000 -10.708) 20.450 9.178 ( -9.635 0.000 5.013) 10.861 9.600 ( -16.910 0.000 -14.310) 22.152 14.262 ( 70.908 0.000 -0.550) 70.911 15.504 ( 74.317 0.000 -17.296) 76.303 15.741 ( 15.638 0.000 -23.567) 28.284 16.584 ( 25.470 0.000 -27.647) 37.591 17.756 ( 7.001 0.000 27.152) 28.040 17.985 ( -8.514 0.000 18.874) 20.705 18.628 ( 12.546 0.000 34.026) 36.266 18.903 ( -9.338 0.000 30.908) 32.288 20.270 ( 28.130 0.000 73.742) 78.925 20.976 ( 23.805 0.000 37.238) 44.197 22.684 ( 2.706 0.000 20.521) 20.699 23.147 ( -10.659 0.000 19.262) 22.014 23.735 ( 5.902 0.000 -11.797) 13.191 24.445 ( 59.331 0.000 0.059) 59.331 24.563 ( 61.315 0.000 4.607) 61.488 24.725 ( 38.284 0.000 -6.832) 38.889 24.971 ( 31.973 0.000 13.880) 34.856 25.082 ( 49.422 0.000 28.012) 56.808 25.706 ( 7.046 0.000 27.135) 28.035 26.712 ( 11.753 0.000 13.372) 17.803 27.190 ( 15.152 0.000 3.909) 15.648 27.747 ( 5.078 0.000 -6.895) 8.564 27.861 ( -1.747 0.000 59.973) 59.999 28.447 ( 3.685 0.000 24.459) 24.735 28.961 ( -4.125 0.000 -9.138) 10.026 29.234 ( -1.629 0.000 20.163) 20.229 30.504 ( 14.292 0.000 4.225) 14.904 30.988 ( 22.984 0.000 -5.146) 23.553 31.004 ( 1.565 0.000 3.156) 3.523 31.694 ( 44.231 0.000 -0.200) 44.232 32.531 ( -18.203 0.000 -17.664) 25.365 33.489 ( -22.551 0.000 -7.348) 23.717 33.738 ( -29.025 0.000 -2.226) 29.110 33.892 ( 29.340 0.000 -20.586) 35.841 36.172 ( 8.880 0.000 -16.980) 19.162 37.132 ( -4.326 0.000 11.645) 12.422 37.139 ( 20.435 0.000 -17.347) 26.805 37.725 ( -34.012 0.000 -1.205) 34.033 38.529 ( -29.532 0.000 28.608) 41.116 39.032 ( -9.946 0.000 7.379) 12.384 39.656 ( -9.900 0.000 8.981) 13.367 39.961 ( -21.155 0.000 -3.800) 21.494 40.413 ( -1.930 0.000 3.902) 4.353 40.996 ( 1.192 0.000 -10.157) 10.227 41.055 ( -12.660 0.000 3.673) 13.182 41.241 ( -3.049 0.000 -8.415) 8.950 41.495 ( 1.894 0.000 -6.507) 6.777 42.187 ( -12.036 0.000 -14.047) 18.498 ======================= Grid point 114 (41/108) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( 27.294 0.000 12.613) 30.068 3.723 ( 16.098 0.000 10.129) 19.019 4.059 ( 26.008 0.000 13.310) 29.216 4.445 ( -7.006 0.000 -1.677) 7.204 4.494 ( -8.931 0.000 3.829) 9.717 4.619 ( -7.344 0.000 -1.079) 7.423 4.701 ( 0.758 0.000 -4.312) 4.379 5.150 ( -19.234 0.000 -2.352) 19.377 5.200 ( -1.534 0.000 -10.462) 10.574 5.492 ( 2.999 0.000 -1.014) 3.166 5.619 ( 34.444 0.000 15.704) 37.855 5.687 ( 14.092 0.000 -8.892) 16.663 5.785 ( -16.584 0.000 1.388) 16.642 6.579 ( 1.975 0.000 -20.135) 20.232 6.604 ( -25.742 0.000 -7.187) 26.727 6.745 ( 8.336 0.000 -5.966) 10.251 7.838 ( 21.142 0.000 2.799) 21.326 8.008 ( -12.329 0.000 -6.573) 13.972 8.273 ( 12.858 0.000 16.837) 21.185 8.407 ( -5.674 0.000 8.402) 10.139 8.785 ( -10.549 0.000 -2.926) 10.948 8.995 ( -3.530 0.000 10.737) 11.303 9.006 ( -8.321 0.000 10.633) 13.502 9.246 ( -19.062 0.000 -10.924) 21.970 15.561 ( 61.639 0.000 -3.886) 61.762 16.088 ( 19.624 0.000 -13.410) 23.768 16.732 ( 53.254 0.000 -7.376) 53.763 16.929 ( 6.979 0.000 -5.354) 8.796 17.728 ( -9.722 0.000 14.074) 17.105 17.879 ( 1.704 0.000 1.374) 2.189 18.658 ( -16.345 0.000 21.339) 26.879 18.675 ( -6.741 0.000 11.107) 12.992 20.937 ( 38.477 0.000 82.118) 90.685 21.467 ( 26.209 0.000 48.888) 55.470 22.627 ( -9.925 0.000 37.922) 39.200 22.826 ( -19.379 0.000 32.872) 38.159 23.844 ( 6.992 0.000 -8.467) 10.981 24.526 ( -13.722 0.000 11.290) 17.770 24.696 ( 7.147 0.000 -2.131) 7.457 24.987 ( 3.285 0.000 -7.633) 8.309 25.835 ( 10.990 0.000 30.704) 32.611 26.455 ( 18.951 0.000 16.337) 25.021 27.150 ( 96.444 0.000 7.017) 96.699 27.265 ( 68.408 0.000 30.372) 74.847 27.506 ( 24.574 0.000 10.303) 26.646 27.797 ( 0.579 0.000 0.687) 0.898 28.106 ( 39.104 0.000 28.112) 48.160 28.536 ( 6.121 0.000 17.995) 19.008 28.811 ( -11.145 0.000 0.960) 11.186 29.213 ( 2.036 0.000 20.008) 20.111 30.552 ( -4.136 0.000 -2.590) 4.880 31.051 ( 3.970 0.000 -4.055) 5.674 31.283 ( 8.445 0.000 -6.810) 10.849 32.173 ( -18.627 0.000 -15.886) 24.481 32.801 ( -43.892 0.000 -0.644) 43.897 32.843 ( 33.562 0.000 -1.344) 33.589 33.114 ( -2.833 0.000 4.213) 5.077 34.748 ( 52.071 0.000 -22.185) 56.601 36.350 ( 8.908 0.000 -13.465) 16.145 36.888 ( -48.805 0.000 -1.942) 48.844 37.034 ( -5.775 0.000 6.294) 8.542 37.635 ( 26.774 0.000 -13.364) 29.924 37.855 ( -39.149 0.000 11.642) 40.843 38.964 ( 1.553 0.000 16.232) 16.306 39.451 ( -11.022 0.000 11.139) 15.670 39.469 ( -29.199 0.000 -5.683) 29.747 40.393 ( 0.295 0.000 4.202) 4.213 40.800 ( -13.004 0.000 4.248) 13.680 41.028 ( 2.005 0.000 -10.286) 10.480 41.181 ( -3.072 0.000 -9.305) 9.799 41.544 ( 3.339 0.000 -7.588) 8.291 41.961 ( -11.049 0.000 -12.604) 16.761 ======================= Grid point 115 (42/108) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.019 ( 15.722 0.000 5.352) 16.608 4.121 ( 22.046 0.000 5.641) 22.757 4.331 ( -15.232 0.000 4.208) 15.803 4.341 ( -5.926 0.000 -0.067) 5.926 4.395 ( 3.174 0.000 2.323) 3.933 4.546 ( 18.104 0.000 8.711) 20.091 4.714 ( -23.622 0.000 3.322) 23.855 4.735 ( -1.716 0.000 -3.736) 4.112 5.225 ( 4.815 0.000 -7.018) 8.511 5.444 ( -16.506 0.000 0.599) 16.517 5.698 ( 17.086 0.000 -5.502) 17.951 5.978 ( 13.909 0.000 -18.550) 23.185 6.098 ( 8.044 0.000 -3.444) 8.750 6.112 ( -24.325 0.000 -7.511) 25.458 6.599 ( 8.374 0.000 -7.926) 11.530 6.823 ( -5.942 0.000 -0.845) 6.002 7.900 ( 4.412 0.000 -6.188) 7.600 8.145 ( -17.150 0.000 -4.748) 17.795 8.239 ( 19.185 0.000 1.937) 19.283 8.451 ( 1.742 0.000 12.016) 12.142 8.751 ( 3.839 0.000 12.481) 13.058 8.859 ( -6.756 0.000 13.833) 15.395 8.896 ( -5.828 0.000 7.996) 9.895 8.917 ( -11.124 0.000 -2.078) 11.317 16.479 ( 20.100 0.000 -3.020) 20.325 16.609 ( 45.807 0.000 -3.913) 45.974 16.828 ( -14.374 0.000 4.033) 14.930 17.302 ( -21.675 0.000 -4.844) 22.209 17.670 ( 31.503 0.000 10.937) 33.348 18.090 ( 17.170 0.000 -5.945) 18.169 18.256 ( -25.525 0.000 13.267) 28.767 18.434 ( -16.550 0.000 0.362) 16.554 21.674 ( 35.973 0.000 72.500) 80.934 21.967 ( 24.872 0.000 49.865) 55.724 22.280 ( -25.478 0.000 56.705) 62.166 22.423 ( -22.176 0.000 43.203) 48.562 24.021 ( 11.116 0.000 -2.741) 11.449 24.260 ( -13.300 0.000 4.634) 14.084 24.847 ( 7.991 0.000 -1.273) 8.092 24.974 ( -4.243 0.000 -2.811) 5.090 26.074 ( 13.888 0.000 30.411) 33.432 26.353 ( -13.791 0.000 28.512) 31.673 27.660 ( 8.596 0.000 4.765) 9.828 27.771 ( -3.233 0.000 4.564) 5.593 28.091 ( 25.339 0.000 24.389) 35.169 28.510 ( 20.770 0.000 17.528) 27.178 28.510 ( -18.298 0.000 11.118) 21.410 28.666 ( 1.933 0.000 13.531) 13.668 29.666 ( 92.798 0.000 2.642) 92.836 29.687 ( 50.550 0.000 7.553) 51.111 30.376 ( -17.017 0.000 -3.864) 17.450 31.114 ( -43.567 0.000 -7.360) 44.184 31.256 ( 22.115 0.000 -1.912) 22.197 31.848 ( -6.643 0.000 -8.381) 10.694 32.035 ( -24.052 0.000 -4.583) 24.485 32.039 ( -52.661 0.000 1.956) 52.697 34.426 ( 74.873 0.000 1.056) 74.881 35.776 ( 50.869 0.000 -13.895) 52.733 35.786 ( -64.287 0.000 -0.625) 64.290 36.436 ( -7.140 0.000 -10.481) 12.682 36.920 ( -4.663 0.000 1.192) 4.813 37.095 ( -32.116 0.000 2.550) 32.217 38.213 ( 32.166 0.000 -10.880) 33.956 38.855 ( -33.291 0.000 -8.050) 34.251 39.059 ( 7.634 0.000 16.437) 18.124 39.239 ( -10.505 0.000 13.913) 17.434 40.438 ( 4.562 0.000 4.533) 6.431 40.576 ( -9.662 0.000 4.600) 10.702 41.072 ( 2.512 0.000 -10.280) 10.582 41.124 ( -2.851 0.000 -9.951) 10.351 41.631 ( 5.726 0.000 -9.165) 10.807 41.769 ( -8.579 0.000 -10.947) 13.908 ======================= Grid point 121 (43/108) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 0.000 19.525 34.186) 39.369 2.085 ( 0.000 11.187 39.134) 40.701 3.327 ( 0.000 -11.946 15.707) 19.734 3.674 ( 0.000 -26.566 -0.018) 26.566 3.768 ( 0.000 30.685 63.484) 70.511 4.761 ( 0.000 18.846 -8.806) 20.802 5.160 ( 0.000 3.864 -10.882) 11.548 5.258 ( 0.000 1.209 -3.497) 3.700 5.402 ( 0.000 1.564 9.698) 9.824 5.635 ( 0.000 -5.212 17.672) 18.425 5.780 ( 0.000 -3.530 -8.218) 8.944 6.031 ( 0.000 4.703 -6.072) 7.681 6.038 ( 0.000 -11.441 -6.283) 13.053 6.261 ( 0.000 -9.907 2.559) 10.232 6.384 ( 0.000 1.489 -7.347) 7.496 6.730 ( 0.000 11.656 13.001) 17.461 6.918 ( 0.000 -32.731 20.900) 38.835 7.815 ( 0.000 -14.250 6.330) 15.593 8.614 ( 0.000 6.795 -9.664) 11.813 8.717 ( 0.000 19.866 -1.267) 19.907 8.973 ( 0.000 8.358 -14.136) 16.422 9.299 ( 0.000 10.850 1.498) 10.953 9.727 ( 0.000 -5.957 -8.355) 10.262 9.978 ( 0.000 9.694 19.558) 21.828 10.095 ( 0.000 -5.674 -17.061) 17.979 11.329 ( 0.000 -15.500 18.207) 23.911 15.287 ( 0.000 6.515 -58.308) 58.671 15.456 ( 0.000 7.706 -44.201) 44.868 16.809 ( 0.000 0.920 73.688) 73.694 17.073 ( 0.000 -5.783 81.140) 81.345 18.579 ( 0.000 -0.588 44.830) 44.833 18.933 ( 0.000 -9.544 40.317) 41.431 19.262 ( 0.000 4.466 36.522) 36.794 19.558 ( 0.000 -2.333 20.500) 20.632 20.205 ( 0.000 -0.492 9.141) 9.154 20.482 ( 0.000 -2.205 15.856) 16.009 22.555 ( 0.000 8.501 7.623) 11.418 23.272 ( 0.000 -16.351 -6.273) 17.513 23.932 ( 0.000 6.897 -13.446) 15.112 24.290 ( 0.000 7.808 -23.570) 24.830 25.075 ( 0.000 1.059 15.427) 15.463 25.213 ( 0.000 -9.845 13.559) 16.756 26.026 ( 0.000 20.790 18.536) 27.854 26.419 ( 0.000 3.139 10.136) 10.611 26.940 ( 0.000 16.950 -3.679) 17.345 27.244 ( 0.000 8.575 3.535) 9.275 27.575 ( 0.000 -5.152 -1.492) 5.364 28.156 ( 0.000 -14.230 28.425) 31.788 28.851 ( 0.000 9.917 27.067) 28.826 29.263 ( 0.000 0.605 39.167) 39.172 29.337 ( 0.000 -2.027 4.892) 5.295 29.579 ( 0.000 -3.052 18.200) 18.454 31.109 ( 0.000 -0.813 12.648) 12.674 31.263 ( 0.000 -0.817 -7.950) 7.992 33.185 ( 0.000 -0.860 -22.345) 22.362 33.269 ( 0.000 -4.663 -6.295) 7.834 34.328 ( 0.000 1.699 -5.252) 5.520 34.483 ( 0.000 -1.624 -4.611) 4.889 35.923 ( 0.000 4.554 -21.252) 21.734 36.430 ( 0.000 -6.584 -21.291) 22.286 37.343 ( 0.000 5.968 20.731) 21.573 38.749 ( 0.000 5.736 -2.135) 6.121 38.815 ( 0.000 -36.513 19.871) 41.570 39.753 ( 0.000 -33.443 7.487) 34.271 40.035 ( 0.000 6.257 6.758) 9.210 40.446 ( 0.000 -3.576 3.081) 4.720 40.663 ( 0.000 12.089 0.377) 12.095 41.160 ( 0.000 3.884 -3.633) 5.318 41.355 ( 0.000 -5.697 -0.391) 5.710 41.432 ( 0.000 -1.951 -1.980) 2.780 42.001 ( 0.000 29.984 -24.237) 38.555 42.630 ( 0.000 -1.082 -17.282) 17.316 ======================= Grid point 122 (44/108) ======================= q-point: ( 0.09 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 18.599 12.823 31.174) 38.499 2.278 ( 18.410 11.450 35.055) 41.218 3.358 ( 3.048 -11.823 13.830) 18.448 3.751 ( 7.804 -25.075 -0.693) 26.270 3.939 ( 17.799 29.655 58.358) 67.837 4.824 ( 4.775 17.368 -8.618) 19.968 5.094 ( -6.153 1.305 -8.907) 10.904 5.167 ( -9.163 1.172 0.152) 9.239 5.319 ( -5.923 2.590 5.685) 8.608 5.597 ( -3.889 -1.111 10.449) 11.205 5.762 ( -1.852 -4.535 -7.609) 9.050 5.889 ( -4.057 -4.037 -5.807) 8.153 6.180 ( 0.817 1.118 -1.162) 1.808 6.337 ( 9.597 -8.320 -6.201) 14.135 6.435 ( 0.704 6.504 -1.815) 6.789 6.735 ( 6.436 0.479 12.754) 14.294 7.045 ( 10.806 -27.348 19.479) 35.271 7.718 ( -9.856 -15.151 3.808) 18.472 8.561 ( -3.483 17.528 -4.020) 18.317 8.753 ( 1.039 6.120 -6.148) 8.737 8.947 ( -1.621 7.824 -8.602) 11.740 9.416 ( 0.423 1.911 -6.874) 7.147 9.606 ( -8.381 -4.098 -6.599) 11.427 10.024 ( -6.866 -5.383 -16.744) 18.881 11.223 ( 104.977 -5.047 -2.491) 105.127 11.817 ( 51.516 -11.207 13.844) 54.508 15.491 ( 11.472 7.804 -49.487) 51.395 15.540 ( 16.413 6.168 -47.450) 50.586 17.035 ( 21.118 1.028 65.428) 68.759 17.325 ( 23.862 -6.417 75.447) 79.391 18.525 ( -4.935 1.049 41.560) 41.865 18.959 ( 0.357 -9.686 43.755) 44.815 19.521 ( 23.544 6.428 35.316) 42.929 20.177 ( 30.289 -13.149 20.533) 38.884 20.374 ( 46.942 8.353 15.170) 50.035 20.875 ( 45.884 -2.836 15.923) 48.651 22.587 ( 3.263 8.220 8.027) 11.943 23.271 ( -0.401 -16.006 -2.898) 16.271 23.944 ( 1.184 8.697 -13.032) 15.713 24.357 ( 6.311 4.968 -21.101) 22.578 25.009 ( -5.450 3.346 12.171) 13.748 25.162 ( -4.979 -8.909 14.279) 17.551 25.993 ( -3.044 22.108 19.886) 29.891 26.417 ( 1.308 4.000 11.655) 12.392 26.930 ( 1.799 14.869 0.835) 15.000 27.342 ( 10.696 3.252 -3.352) 11.671 27.834 ( 15.476 -4.253 17.990) 24.109 28.186 ( 3.187 -12.254 31.036) 33.520 28.896 ( 4.321 6.612 4.849) 9.268 29.228 ( -1.588 -2.232 24.866) 25.016 29.500 ( 15.822 0.722 17.712) 23.761 29.750 ( 19.299 -3.427 16.035) 25.324 31.083 ( -2.517 -0.301 11.655) 11.928 31.262 ( 0.135 -0.801 -8.294) 8.334 33.095 ( -8.944 -0.774 -21.290) 23.106 33.232 ( -2.713 -5.698 -8.064) 10.240 34.255 ( -7.644 1.661 -5.037) 9.303 34.407 ( -7.981 -1.578 -4.488) 9.292 35.964 ( 4.159 4.774 -20.814) 21.755 36.498 ( 7.011 -6.981 -20.698) 22.941 37.325 ( -1.837 6.144 19.810) 20.822 38.640 ( -10.931 2.403 -0.070) 11.192 38.740 ( -7.520 -31.844 22.332) 39.614 39.588 ( -15.734 -25.783 7.517) 31.126 40.005 ( -3.322 5.973 6.615) 9.512 40.432 ( -1.389 -3.817 3.137) 5.132 40.623 ( -4.399 12.481 0.429) 13.240 41.137 ( -2.047 4.646 -4.360) 6.692 41.325 ( -3.859 -5.461 1.476) 6.848 41.422 ( -0.341 -2.050 -4.524) 4.978 41.845 ( -12.837 28.851 -18.476) 36.586 42.563 ( -6.680 -1.532 -16.806) 18.149 ======================= Grid point 123 (45/108) ======================= q-point: ( 0.18 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( 27.560 4.739 24.480) 37.166 2.718 ( 25.346 8.322 28.620) 39.125 3.442 ( 5.740 -10.527 10.201) 15.743 3.959 ( 13.004 -22.108 -2.990) 25.823 4.421 ( 29.501 24.506 45.162) 59.249 4.857 ( -4.351 8.698 -6.946) 11.951 4.946 ( -9.246 1.485 1.743) 9.525 4.968 ( -8.037 -0.417 -3.384) 8.730 5.261 ( 2.128 8.572 -3.964) 9.681 5.510 ( -4.915 3.110 0.744) 5.864 5.634 ( -9.271 -2.182 0.838) 9.561 5.941 ( 6.381 -7.227 -8.975) 13.172 6.092 ( -8.505 5.663 0.649) 10.238 6.320 ( -7.496 3.458 -1.178) 8.339 6.578 ( 11.097 0.813 -8.185) 13.812 7.005 ( 17.736 -2.588 8.720) 19.932 7.286 ( 11.279 -21.761 14.814) 28.639 7.465 ( -12.882 -17.383 2.790) 21.815 8.510 ( -2.154 16.530 1.669) 16.754 8.683 ( -7.431 5.054 -10.694) 13.969 8.955 ( 1.722 1.465 3.139) 3.869 9.327 ( -9.026 -1.510 -6.687) 11.334 9.404 ( -11.301 -0.314 -3.620) 11.871 9.836 ( -12.308 -4.754 -15.413) 20.289 12.857 ( 72.407 -2.451 4.755) 72.604 13.500 ( 98.665 -21.163 -14.646) 101.966 15.691 ( 13.608 13.417 -37.948) 42.488 16.043 ( 29.086 1.113 -44.096) 52.836 17.486 ( 21.536 1.419 46.299) 51.082 17.839 ( 22.318 -7.888 52.097) 57.223 18.440 ( -0.624 3.481 41.993) 42.142 18.934 ( -3.318 -8.040 39.591) 40.535 19.922 ( 18.111 6.021 49.174) 52.748 20.480 ( 17.628 -7.868 28.009) 34.017 22.112 ( 108.938 1.854 15.716) 110.081 22.381 ( 103.282 -2.029 14.500) 104.314 22.679 ( 7.437 7.209 11.951) 15.814 23.239 ( -2.792 -14.620 7.480) 16.658 23.981 ( 3.573 12.071 -11.137) 16.808 24.497 ( 7.165 -0.582 -13.189) 15.021 24.942 ( 0.345 7.713 2.586) 8.142 25.042 ( -6.635 -5.484 15.963) 18.136 25.940 ( -1.602 23.141 23.213) 32.817 26.503 ( 7.297 1.742 12.587) 14.653 27.034 ( 8.082 8.536 3.596) 12.293 27.549 ( 8.102 -3.600 -5.714) 10.548 27.975 ( 0.098 0.947 49.794) 49.803 28.273 ( 5.352 -7.259 30.149) 31.469 28.963 ( 1.245 -0.696 -8.742) 8.857 29.202 ( -1.472 -4.479 18.857) 19.438 29.978 ( 32.781 2.555 15.461) 36.334 30.327 ( 36.210 -4.835 0.112) 36.532 31.031 ( -1.892 1.450 8.742) 9.061 31.294 ( 4.835 -0.932 -8.200) 9.564 32.864 ( -14.031 0.412 -19.478) 24.009 33.249 ( 7.368 -9.376 -14.510) 18.781 34.024 ( -16.442 1.443 -4.170) 17.024 34.166 ( -17.173 -1.452 -3.892) 17.668 36.078 ( 7.428 5.462 -19.364) 21.447 36.698 ( 13.509 -8.252 -19.077) 24.789 37.277 ( -3.040 6.600 17.077) 18.559 38.329 ( -21.373 4.325 -0.365) 21.809 38.548 ( -11.554 -28.205 29.669) 42.536 39.207 ( -22.163 -15.635 4.029) 27.420 39.906 ( -6.628 6.940 6.906) 11.823 40.393 ( -2.686 -3.975 3.220) 5.778 40.479 ( -10.640 13.332 0.384) 17.062 41.097 ( -1.790 5.494 -5.713) 8.126 41.199 ( -8.701 -4.794 1.674) 10.075 41.427 ( 0.629 -2.156 -6.261) 6.651 41.612 ( -10.104 21.603 -12.306) 26.837 42.386 ( -11.048 -2.486 -15.571) 19.253 ======================= Grid point 124 (46/108) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 28.233 4.346 15.706) 32.598 3.229 ( 26.871 0.332 23.806) 35.901 3.599 ( 11.479 -7.947 7.885) 16.035 4.224 ( 13.017 -18.062 -5.879) 23.027 4.689 ( -7.862 2.288 -0.890) 8.237 4.722 ( -7.384 4.885 6.145) 10.777 4.824 ( -6.541 -0.884 -2.236) 6.969 5.028 ( 18.659 5.247 15.778) 24.992 5.305 ( -8.000 4.086 -5.748) 10.665 5.409 ( 0.469 6.752 -11.091) 12.993 5.568 ( 6.498 10.889 11.839) 17.348 5.899 ( -7.918 13.923 0.862) 16.040 5.962 ( -6.890 -4.803 -1.967) 8.626 6.282 ( 5.036 -7.808 -6.803) 11.516 6.731 ( 3.794 3.652 -13.277) 14.283 7.068 ( -15.063 -1.268 -4.704) 15.832 7.393 ( 18.084 -4.265 2.985) 18.819 7.628 ( 16.201 -25.345 20.505) 36.405 8.390 ( -11.774 8.851 -6.844) 16.242 8.585 ( -0.732 8.535 6.401) 10.694 8.960 ( -2.446 -3.679 5.771) 7.268 9.071 ( -14.985 -2.750 -6.635) 16.618 9.218 ( -8.493 3.552 4.345) 10.180 9.559 ( -15.975 -3.631 -12.665) 20.707 14.276 ( 71.988 2.037 -0.044) 72.017 15.126 ( 67.250 -21.591 -8.592) 71.152 16.059 ( 26.100 16.596 -30.144) 43.189 16.592 ( 26.486 0.097 -29.050) 39.312 17.769 ( 6.379 1.199 26.830) 27.604 17.950 ( -6.480 -2.991 20.738) 21.931 18.595 ( 9.949 -2.222 33.072) 34.608 18.817 ( -9.017 -6.874 30.476) 32.517 20.345 ( 27.925 6.272 72.562) 78.003 20.901 ( 25.153 -6.537 44.564) 51.589 22.743 ( 1.332 4.638 22.316) 22.832 23.055 ( -10.331 -5.897 20.959) 24.100 23.827 ( 19.893 7.403 -8.404) 22.829 24.462 ( 47.400 -3.854 0.363) 47.557 24.554 ( 60.665 3.310 -2.179) 60.794 24.711 ( 46.792 0.016 -3.984) 46.961 25.083 ( 27.301 8.088 7.927) 29.557 25.128 ( 54.713 3.107 23.129) 59.482 25.949 ( 2.861 20.798 25.793) 33.257 26.674 ( 10.098 -2.016 14.090) 17.452 27.202 ( 8.199 -0.600 7.543) 11.157 27.635 ( 1.766 -9.411 2.476) 9.890 27.953 ( 1.004 6.736 50.307) 50.766 28.372 ( 4.680 -4.117 22.943) 23.774 28.934 ( -4.054 -3.534 -1.137) 5.497 29.159 ( -3.022 -6.916 18.566) 20.041 30.523 ( 14.473 2.437 1.246) 14.730 30.935 ( 21.655 -4.467 -4.552) 22.575 31.053 ( 4.610 4.675 0.899) 6.627 31.630 ( 34.416 -5.824 -1.083) 34.922 32.616 ( -7.283 7.832 -16.688) 19.821 33.474 ( -10.833 -3.050 -11.187) 15.868 33.699 ( -18.054 -4.437 -4.503) 19.128 33.779 ( 5.078 -6.854 -11.245) 14.115 36.245 ( 9.585 6.582 -16.778) 20.413 37.014 ( 18.474 -10.621 -16.634) 27.034 37.206 ( -4.454 6.785 12.596) 14.984 37.803 ( -32.814 6.990 -0.796) 33.559 38.271 ( -19.589 -19.945 26.663) 38.632 38.795 ( -17.782 -17.139 2.998) 24.879 39.757 ( -8.564 8.659 7.836) 14.481 40.193 ( -17.658 15.890 0.151) 23.755 40.351 ( -2.406 -4.915 3.677) 6.593 40.977 ( -12.173 -5.493 2.703) 13.626 41.097 ( 0.032 6.058 -7.659) 9.765 41.415 ( -4.096 9.250 -9.774) 14.067 41.484 ( -1.139 3.456 -7.714) 8.529 42.156 ( -12.250 -3.126 -14.116) 18.950 ======================= Grid point 125 (47/108) ======================= q-point: ( 0.36 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.669 ( 20.175 1.097 10.875) 22.946 3.693 ( 23.953 1.143 10.289) 26.094 3.949 ( 24.245 -8.093 12.484) 28.446 4.364 ( 0.277 -7.900 -3.257) 8.549 4.549 ( -8.592 4.833 2.831) 10.256 4.644 ( -0.030 1.277 -4.463) 4.642 4.696 ( -4.676 0.823 -0.812) 4.817 5.095 ( -6.221 -3.847 -4.771) 8.733 5.184 ( -5.249 -7.550 -1.099) 9.261 5.302 ( -7.234 2.222 -6.044) 9.685 5.610 ( -13.953 -8.794 -0.940) 16.519 5.943 ( 9.944 14.036 -11.833) 20.878 6.038 ( 19.450 22.552 17.963) 34.779 6.276 ( -7.951 -12.531 -6.851) 16.345 6.769 ( 2.874 5.149 -12.621) 13.931 6.901 ( -0.755 9.581 -10.908) 14.538 7.730 ( 14.848 -8.161 -0.015) 16.943 7.912 ( 9.676 -16.558 14.688) 24.156 8.145 ( -8.940 4.156 -1.692) 10.002 8.581 ( -2.047 5.558 9.015) 10.786 8.782 ( -9.482 0.207 -0.432) 9.494 8.895 ( -6.481 -4.773 8.221) 11.505 9.070 ( -6.730 2.499 9.421) 11.844 9.232 ( -17.137 -1.342 -8.334) 19.103 15.567 ( 59.542 1.650 -2.844) 59.633 16.066 ( 33.649 -4.060 -5.177) 34.286 16.756 ( 41.493 4.275 -16.246) 44.765 16.999 ( 12.776 4.841 -6.390) 15.083 17.718 ( -9.558 -1.024 10.754) 14.424 17.838 ( -1.655 -3.386 6.017) 7.100 18.570 ( -15.897 -5.967 18.211) 24.899 18.632 ( -6.945 -4.380 12.759) 15.173 20.995 ( 37.168 4.986 80.551) 88.852 21.419 ( 27.374 -4.336 53.778) 60.499 22.658 ( -11.076 1.962 39.978) 41.530 22.778 ( -17.420 -2.902 33.782) 38.120 24.000 ( 7.769 12.715 -8.637) 17.223 24.585 ( -7.816 7.056 2.943) 10.933 24.738 ( 7.915 0.731 -0.660) 7.976 25.074 ( 3.313 5.837 -8.836) 11.096 26.019 ( 7.094 16.756 28.121) 33.495 26.447 ( 18.049 0.929 15.619) 23.887 27.152 ( 91.265 -1.885 7.912) 91.627 27.252 ( 52.146 -0.991 28.048) 59.219 27.394 ( 36.738 -9.182 13.337) 40.148 27.690 ( 10.395 -9.150 5.627) 14.948 28.173 ( 31.599 5.679 27.096) 42.011 28.462 ( 5.075 -3.370 16.847) 17.915 28.815 ( -7.547 -2.285 6.803) 10.415 29.111 ( 0.767 -9.234 20.334) 22.346 30.591 ( -3.026 4.343 -4.899) 7.212 31.104 ( 4.737 4.018 -6.184) 8.765 31.224 ( 6.256 -4.170 -6.398) 9.872 31.986 ( -7.006 -14.000 -12.338) 19.932 32.813 ( -40.844 1.881 -0.506) 40.891 32.943 ( -23.934 2.675 -3.323) 24.311 33.229 ( 40.741 13.194 1.535) 42.851 34.575 ( 53.076 -15.200 -19.260) 58.472 36.433 ( 8.794 7.528 -13.173) 17.537 36.913 ( -39.298 3.136 0.363) 39.425 37.173 ( -11.869 11.287 3.743) 16.801 37.454 ( 17.009 -13.767 -9.490) 23.851 37.729 ( -32.297 -10.981 9.265) 35.349 38.562 ( -8.434 -25.561 8.013) 28.084 39.588 ( -8.310 11.703 9.145) 17.019 39.817 ( -19.575 20.396 1.876) 28.332 40.323 ( -0.123 -6.034 4.154) 7.327 40.724 ( -13.132 -6.487 3.813) 15.135 41.118 ( 1.868 6.764 -8.968) 11.387 41.315 ( -4.936 11.017 -10.482) 15.988 41.516 ( 3.183 -2.475 -7.732) 8.720 41.927 ( -10.999 -3.196 -12.630) 17.050 ======================= Grid point 126 (48/108) ======================= q-point: ( 0.45 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.999 ( 15.959 -0.761 6.474) 17.239 4.123 ( 13.849 0.594 5.252) 14.823 4.332 ( 5.830 -5.815 3.047) 8.780 4.346 ( -2.039 -1.303 1.796) 3.013 4.449 ( -1.413 6.253 2.805) 6.997 4.479 ( -0.235 2.402 5.735) 6.222 4.740 ( 1.677 1.976 -4.113) 4.861 4.864 ( -15.451 8.295 1.668) 17.616 5.082 ( 1.716 -9.050 -7.841) 12.097 5.275 ( -16.699 -12.579 -0.537) 20.913 5.436 ( 16.020 -16.078 -7.640) 23.948 5.818 ( -20.507 -15.968 -9.750) 27.759 6.255 ( 12.424 16.386 -15.894) 25.990 6.401 ( 2.630 18.562 -1.321) 18.794 6.828 ( 8.068 16.490 -5.576) 19.186 6.963 ( 0.079 7.440 -2.882) 7.979 7.845 ( -2.782 -2.717 -1.378) 4.126 7.879 ( -2.924 -13.622 -5.194) 14.869 8.276 ( 14.213 -6.732 10.152) 18.719 8.499 ( -6.077 0.220 7.639) 9.764 8.702 ( -0.056 -1.702 6.101) 6.334 8.791 ( -4.366 0.300 10.184) 11.084 8.950 ( -8.572 1.420 0.597) 8.710 8.955 ( -4.927 1.593 10.804) 11.981 16.473 ( 30.762 1.665 -0.977) 30.823 16.700 ( 35.763 4.855 -0.951) 36.103 16.911 ( -14.188 7.252 4.553) 16.572 17.325 ( -19.345 1.207 -2.363) 19.526 17.612 ( 28.510 -3.453 5.099) 29.167 18.014 ( 16.205 -6.846 -5.524) 18.439 18.181 ( -23.074 -5.088 8.419) 25.083 18.387 ( -17.225 -4.721 0.885) 17.882 21.707 ( 34.710 2.768 71.677) 79.687 21.933 ( 24.913 -2.661 52.599) 58.261 22.305 ( -24.815 1.506 57.374) 62.529 22.396 ( -21.657 -1.979 44.807) 49.805 24.183 ( 10.764 13.922 -4.025) 18.053 24.397 ( -10.815 12.434 1.015) 16.510 24.914 ( 9.208 3.321 -1.661) 9.929 25.058 ( -4.721 5.142 -3.743) 7.921 26.182 ( 10.085 10.869 28.064) 31.739 26.392 ( -10.421 4.848 26.052) 28.475 27.465 ( 6.648 -15.897 9.442) 19.649 27.556 ( -2.311 -17.036 8.578) 19.213 28.147 ( 18.894 3.185 23.176) 30.071 28.416 ( -3.633 -3.505 14.959) 15.788 28.544 ( 12.898 -0.112 18.861) 22.850 28.703 ( -4.458 -0.676 14.615) 15.295 29.626 ( 67.457 -2.859 4.559) 67.672 29.671 ( 81.438 -1.103 3.591) 81.524 30.418 ( -18.424 4.617 -5.962) 19.907 31.048 ( -39.057 -6.148 -7.978) 40.335 31.298 ( 19.590 3.967 -3.123) 20.230 31.791 ( -4.578 -5.437 -9.449) 11.824 31.999 ( -31.964 -1.702 -1.466) 32.043 32.036 ( -47.805 -0.862 1.127) 47.826 34.551 ( 72.139 11.091 -0.222) 72.987 35.642 ( 54.011 -11.959 -11.932) 56.591 35.867 ( -61.775 7.280 -0.796) 62.208 36.474 ( -18.719 1.477 -9.464) 21.027 37.011 ( -7.359 8.315 1.370) 11.188 37.023 ( -20.290 -3.488 1.497) 20.642 37.947 ( 24.019 -20.011 -7.486) 32.147 38.350 ( -15.798 -27.326 0.971) 31.579 39.465 ( -3.198 17.406 9.760) 20.210 39.517 ( -9.449 22.213 7.149) 25.176 40.361 ( 4.310 -6.735 4.498) 9.174 40.497 ( -9.705 -6.899 4.430) 12.705 41.165 ( 2.917 7.465 -9.761) 12.630 41.230 ( -3.858 8.811 -10.237) 14.046 41.601 ( 5.656 -2.758 -9.275) 11.208 41.738 ( -8.460 -2.970 -11.006) 14.196 ======================= Grid point 132 (49/108) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 0.000 24.468 25.053) 35.019 2.479 ( 0.000 23.778 23.333) 33.314 2.965 ( 0.000 -20.514 18.978) 27.946 3.070 ( 0.000 -28.143 9.469) 29.693 4.558 ( 0.000 38.320 43.577) 58.029 5.087 ( 0.000 9.412 -7.824) 12.239 5.199 ( 0.000 -9.753 6.958) 11.980 5.233 ( 0.000 -3.610 -9.783) 10.428 5.492 ( 0.000 6.366 13.898) 15.287 5.515 ( 0.000 0.957 3.773) 3.893 5.656 ( 0.000 -7.933 2.206) 8.234 5.754 ( 0.000 -14.417 -9.324) 17.170 6.100 ( 0.000 -3.651 4.851) 6.071 6.104 ( 0.000 -0.477 3.994) 4.022 6.353 ( 0.000 -3.318 -5.767) 6.654 6.357 ( 0.000 -11.179 9.428) 14.623 7.041 ( 0.000 16.677 11.436) 20.221 7.433 ( 0.000 -18.868 8.476) 20.684 8.787 ( 0.000 8.084 -10.684) 13.398 8.915 ( 0.000 -2.047 -12.381) 12.549 9.244 ( 0.000 15.823 -3.937) 16.306 9.541 ( 0.000 -11.172 -6.140) 12.748 9.612 ( 0.000 15.538 -7.778) 17.376 9.909 ( 0.000 -11.342 -13.960) 17.987 10.333 ( 0.000 22.532 20.756) 30.634 10.874 ( 0.000 -24.930 19.408) 31.594 15.452 ( 0.000 7.394 -56.271) 56.755 15.549 ( 0.000 -0.360 -52.259) 52.261 16.848 ( 0.000 2.911 73.131) 73.189 16.941 ( 0.000 -5.558 75.377) 75.582 18.611 ( 0.000 3.741 46.761) 46.910 18.739 ( 0.000 -7.820 44.638) 45.318 19.343 ( 0.000 3.749 32.517) 32.733 19.449 ( 0.000 -5.992 26.603) 27.269 20.277 ( 0.000 5.824 15.365) 16.432 20.403 ( 0.000 -5.040 16.321) 17.081 22.778 ( 0.000 10.880 4.238) 11.677 23.002 ( 0.000 -10.063 -0.149) 10.064 24.119 ( 0.000 9.484 -12.269) 15.507 24.299 ( 0.000 -5.696 -14.685) 15.751 25.086 ( 0.000 -0.466 3.256) 3.289 25.086 ( 0.000 -1.976 5.545) 5.887 26.442 ( 0.000 14.730 14.933) 20.975 26.543 ( 0.000 5.053 12.692) 13.661 27.210 ( 0.000 9.266 -3.698) 9.977 27.414 ( 0.000 -9.275 -3.825) 10.033 27.445 ( 0.000 10.139 22.039) 24.260 27.766 ( 0.000 -19.040 33.255) 38.319 29.090 ( 0.000 10.298 9.564) 14.054 29.260 ( 0.000 -5.385 3.704) 6.536 29.321 ( 0.000 5.134 33.519) 33.910 29.465 ( 0.000 -6.986 25.278) 26.226 31.131 ( 0.000 3.034 7.878) 8.442 31.214 ( 0.000 -3.665 0.092) 3.666 33.166 ( 0.000 -0.540 -20.867) 20.874 33.183 ( 0.000 -2.471 -14.723) 14.929 34.377 ( 0.000 2.652 -4.927) 5.595 34.436 ( 0.000 -2.614 -4.732) 5.405 36.062 ( 0.000 7.943 -20.959) 22.413 36.252 ( 0.000 -9.094 -20.941) 22.831 37.561 ( 0.000 14.893 24.942) 29.050 38.034 ( 0.000 -29.707 29.469) 41.844 38.934 ( 0.000 11.335 -1.104) 11.388 39.243 ( 0.000 -17.402 1.429) 17.460 40.197 ( 0.000 7.824 5.075) 9.326 40.348 ( 0.000 -5.791 3.635) 6.838 40.943 ( 0.000 12.655 0.965) 12.692 41.188 ( 0.000 -9.635 0.777) 9.666 41.256 ( 0.000 4.913 -3.484) 6.023 41.361 ( 0.000 -4.369 -3.216) 5.424 42.428 ( 0.000 11.519 -22.870) 25.608 42.581 ( 0.000 -3.838 -19.187) 19.567 ======================= Grid point 133 (50/108) ======================= q-point: ( 0.09 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 9.098 20.957 23.061) 32.462 2.667 ( 15.388 21.671 21.732) 34.332 3.000 ( 4.408 -20.181 16.115) 26.199 3.194 ( 11.340 -25.200 9.736) 29.299 4.678 ( 11.651 33.812 37.883) 52.097 5.079 ( -2.820 5.125 -7.043) 9.155 5.118 ( -8.128 -1.609 -6.495) 10.528 5.162 ( -6.338 -4.220 6.853) 10.244 5.430 ( -0.884 8.382 1.161) 8.509 5.581 ( 1.988 0.653 7.203) 7.500 5.645 ( 0.339 -6.832 -2.535) 7.296 5.738 ( 0.649 -8.786 -4.587) 9.932 6.111 ( 0.378 -3.340 5.797) 6.701 6.263 ( 11.665 -15.274 13.055) 23.234 6.378 ( 7.675 1.241 -1.888) 8.001 6.493 ( 8.615 -4.951 -1.680) 10.077 7.007 ( -2.145 13.282 11.021) 17.391 7.355 ( -7.721 -17.427 7.378) 20.439 8.784 ( -0.605 6.911 -9.614) 11.855 8.883 ( -3.344 -0.574 -11.292) 11.790 9.153 ( -7.175 12.133 -1.965) 14.232 9.375 ( -8.246 -7.328 -4.826) 12.041 9.646 ( -3.988 8.626 -9.103) 13.159 9.859 ( -5.671 -9.484 -13.863) 17.728 11.244 ( 80.542 7.675 10.666) 81.607 11.513 ( 61.588 -15.145 14.151) 64.982 15.624 ( 15.933 4.587 -53.036) 55.567 15.658 ( 11.477 2.219 -49.197) 50.566 17.078 ( 21.528 3.152 65.800) 69.303 17.179 ( 22.415 -6.091 69.149) 72.946 18.591 ( -1.919 5.208 44.345) 44.691 18.748 ( 0.270 -8.966 44.224) 45.124 19.674 ( 25.941 7.974 35.466) 44.659 19.888 ( 28.952 -12.000 31.383) 44.352 20.579 ( 45.161 9.627 15.823) 48.811 20.765 ( 45.192 -7.111 16.075) 48.490 22.801 ( 2.259 10.348 5.784) 12.068 23.011 ( 0.840 -9.454 2.429) 9.797 24.145 ( 2.489 9.512 -11.412) 15.064 24.329 ( 2.876 -6.391 -12.622) 14.437 25.051 ( -2.959 -1.056 4.062) 5.135 25.058 ( -2.059 0.029 1.174) 2.370 26.438 ( -0.173 15.666 15.902) 22.324 26.547 ( 0.866 5.316 13.366) 14.410 27.183 ( -2.238 8.110 2.962) 8.920 27.354 ( 1.420 -4.724 0.875) 5.010 27.739 ( 16.993 -0.705 21.193) 27.174 27.890 ( 12.429 -12.485 32.249) 36.747 29.054 ( -3.542 6.840 6.012) 9.771 29.167 ( -4.890 -3.598 14.554) 15.770 29.539 ( 18.783 3.232 19.114) 26.992 29.642 ( 19.027 -5.740 19.850) 28.089 31.118 ( -1.089 3.665 6.963) 7.944 31.211 ( -0.069 -3.924 -0.559) 3.964 33.082 ( -8.065 0.029 -19.965) 21.532 33.119 ( -5.707 -3.678 -14.865) 16.342 34.303 ( -7.751 2.598 -4.739) 9.449 34.361 ( -7.868 -2.557 -4.584) 9.458 36.110 ( 4.880 8.346 -20.481) 22.648 36.310 ( 5.934 -9.594 -20.387) 23.300 37.544 ( -1.684 14.685 23.884) 28.088 37.998 ( -3.466 -27.900 28.931) 40.341 38.838 ( -9.986 11.398 -0.867) 15.178 39.143 ( -10.238 -16.746 1.398) 19.677 40.169 ( -2.821 8.108 5.095) 9.983 40.327 ( -2.088 -6.133 3.692) 7.457 40.909 ( -3.819 12.820 1.449) 13.455 41.154 ( -3.749 -9.290 1.850) 10.187 41.245 ( -0.997 4.664 -4.416) 6.500 41.350 ( -0.735 -4.386 -4.554) 6.365 42.303 ( -11.656 13.731 -20.233) 27.089 42.496 ( -8.377 -5.194 -18.207) 20.704 ======================= Grid point 134 (51/108) ======================= q-point: ( 0.18 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 18.552 13.120 19.583) 29.997 3.018 ( 19.612 15.044 16.119) 29.509 3.146 ( 11.029 -13.352 13.619) 22.032 3.471 ( 16.675 -21.785 6.423) 28.176 4.880 ( -0.201 8.882 9.399) 12.934 4.925 ( -9.964 0.214 -6.314) 11.798 4.979 ( -1.353 5.329 9.053) 10.591 5.035 ( -6.256 2.757 6.726) 9.591 5.485 ( 5.358 10.018 -6.244) 12.963 5.598 ( -3.615 1.536 -4.734) 6.151 5.664 ( 4.639 6.781 5.004) 9.619 5.795 ( 5.613 -5.212 -5.857) 9.642 6.106 ( 0.428 2.624 10.108) 10.451 6.467 ( -2.820 0.261 5.102) 5.835 6.564 ( 16.345 -19.530 14.169) 29.144 6.643 ( 8.831 -0.257 -4.149) 9.761 7.061 ( 8.689 -0.379 4.940) 10.002 7.177 ( -7.933 -10.335 4.867) 13.908 8.737 ( -5.108 5.612 -7.951) 10.991 8.793 ( -5.519 1.672 -6.437) 8.643 9.024 ( -5.889 6.456 1.222) 8.823 9.198 ( -10.275 -8.068 -3.694) 13.576 9.512 ( -8.893 7.903 -5.885) 13.273 9.693 ( -10.962 -7.988 -11.781) 17.965 12.863 ( 81.776 4.525 4.747) 82.039 13.081 ( 90.257 -15.434 0.136) 91.567 15.939 ( 18.809 8.339 -42.971) 47.643 16.045 ( 24.565 -1.742 -44.156) 50.559 17.540 ( 21.961 3.839 46.982) 52.003 17.661 ( 22.281 -7.345 49.162) 54.473 18.554 ( -0.972 6.986 41.686) 42.279 18.735 ( -1.871 -9.346 40.398) 41.508 20.079 ( 18.351 8.226 48.146) 52.177 20.277 ( 18.439 -9.837 41.610) 46.563 22.186 ( 107.743 4.774 15.055) 108.894 22.300 ( 105.671 -5.103 14.720) 106.814 22.857 ( 3.848 8.187 12.165) 15.160 23.018 ( -0.782 -7.250 10.575) 12.845 24.214 ( 5.254 9.735 -9.329) 14.471 24.405 ( 5.303 -7.361 -8.645) 12.531 25.001 ( -1.291 2.018 3.229) 4.020 25.050 ( 2.197 0.316 -4.635) 5.139 26.440 ( 0.455 18.698 17.934) 25.912 26.592 ( 3.866 4.341 14.343) 15.477 27.156 ( -0.934 3.552 9.437) 10.126 27.366 ( -0.770 -13.123 5.629) 14.300 28.009 ( 9.980 4.737 34.127) 35.871 28.148 ( 11.652 -5.713 31.013) 33.619 28.962 ( -5.705 2.216 5.717) 8.375 29.072 ( -5.278 -6.760 13.816) 16.261 30.067 ( 34.277 5.400 8.800) 35.799 30.199 ( 35.705 -6.428 4.090) 36.509 31.111 ( 1.390 5.634 4.396) 7.280 31.235 ( 3.737 -4.717 -2.006) 6.343 32.899 ( -9.044 3.409 -18.640) 20.996 33.032 ( -0.393 -8.912 -15.852) 18.190 34.068 ( -16.875 2.447 -3.928) 17.498 34.123 ( -17.034 -2.441 -3.903) 17.645 36.245 ( 8.933 9.617 -18.963) 23.063 36.477 ( 11.172 -11.184 -18.761) 24.533 37.501 ( -2.764 14.339 20.778) 25.396 37.915 ( -4.904 -24.076 26.378) 36.048 38.545 ( -20.288 11.753 -0.313) 23.448 38.851 ( -19.713 -15.955 1.057) 25.383 40.091 ( -5.088 9.087 5.313) 11.692 40.271 ( -3.586 -7.114 3.904) 8.872 40.781 ( -9.627 13.222 2.120) 16.492 41.031 ( -9.177 -9.462 2.775) 13.470 41.229 ( -0.356 5.617 -5.968) 8.203 41.346 ( 0.502 -4.866 -6.203) 7.900 42.041 ( -13.984 15.696 -15.994) 26.415 42.285 ( -12.530 -7.348 -16.082) 21.670 ======================= Grid point 135 (52/108) ======================= q-point: ( 0.27 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.205 ( 23.505 4.685 15.805) 28.709 3.360 ( 16.433 -4.977 8.749) 19.271 3.472 ( 21.404 9.371 12.211) 26.364 3.816 ( 18.132 -18.383 1.658) 25.874 4.732 ( -7.118 1.930 -3.328) 8.091 4.770 ( -6.364 -1.228 -3.597) 7.413 4.871 ( -8.506 5.850 4.241) 11.161 5.004 ( -2.683 -5.382 6.180) 8.623 5.423 ( -12.760 6.693 -3.104) 14.739 5.529 ( -4.118 -0.040 -6.853) 7.995 5.748 ( -0.030 5.414 -8.451) 10.037 5.950 ( 5.440 -9.163 -9.128) 14.031 6.235 ( 14.279 23.799 23.448) 36.333 6.297 ( -6.840 14.241 -0.280) 15.801 6.672 ( -2.113 -8.861 -5.656) 10.723 6.967 ( 18.566 -26.658 19.968) 38.132 7.151 ( 8.458 3.836 -1.308) 9.378 7.302 ( 12.854 -6.284 -1.183) 14.357 8.573 ( -11.357 7.514 -6.114) 14.928 8.681 ( -6.200 -1.017 1.000) 6.362 8.919 ( -5.219 1.173 4.294) 6.859 8.990 ( -10.518 -4.185 -0.422) 11.328 9.322 ( -10.382 5.737 -1.095) 11.912 9.452 ( -13.490 -5.854 -7.894) 16.690 14.392 ( 73.993 9.362 0.597) 74.585 14.689 ( 73.248 -17.625 -1.416) 75.352 16.370 ( 25.685 11.635 -33.584) 43.852 16.550 ( 27.022 -4.783 -32.297) 42.381 17.808 ( 4.212 2.418 26.258) 26.704 17.874 ( -0.822 -3.535 24.408) 24.676 18.576 ( 1.660 1.264 30.932) 31.002 18.662 ( -6.171 -6.301 30.086) 31.352 20.514 ( 27.869 8.919 68.086) 74.108 20.719 ( 27.196 -9.532 58.300) 65.033 22.849 ( -2.883 4.798 24.314) 24.950 22.947 ( -6.988 -4.336 23.349) 24.755 24.031 ( 35.683 11.091 -3.539) 37.534 24.281 ( 47.201 -10.980 -0.012) 48.461 24.671 ( 47.015 5.160 -9.784) 48.299 24.725 ( 57.610 0.095 -6.947) 58.027 25.175 ( 48.443 3.323 13.938) 50.518 25.226 ( 33.739 1.058 7.227) 34.520 26.458 ( 1.441 21.780 20.271) 29.788 26.695 ( 7.096 1.789 15.109) 16.789 27.123 ( -2.764 -2.912 17.458) 17.914 27.332 ( -2.185 -17.056 11.400) 20.631 28.147 ( 6.008 10.640 37.201) 39.157 28.320 ( 6.732 -3.283 26.164) 27.215 28.841 ( -6.688 -1.574 8.981) 11.307 28.956 ( -6.514 -10.081 15.771) 19.819 30.630 ( 16.658 7.127 -3.359) 18.427 30.800 ( 20.104 -7.664 -4.875) 22.061 31.218 ( 9.135 10.110 -1.335) 13.691 31.450 ( 18.744 -10.249 -2.063) 21.462 32.866 ( 11.817 14.951 -15.667) 24.670 33.233 ( 21.407 -17.215 -17.062) 32.338 33.644 ( -25.439 1.047 -2.004) 25.540 33.692 ( -26.019 -2.835 -2.565) 26.298 36.448 ( 11.656 11.737 -16.329) 23.243 36.734 ( 14.881 -13.956 -16.104) 25.991 37.427 ( -5.757 13.551 15.797) 21.594 37.785 ( -10.526 -18.350 19.814) 28.985 38.060 ( -28.702 12.186 0.939) 31.196 38.402 ( -25.021 -17.834 0.706) 30.734 39.981 ( -5.955 10.901 5.892) 13.748 40.197 ( -3.740 -8.587 4.331) 10.319 40.538 ( -15.106 14.360 2.586) 21.002 40.806 ( -13.586 -10.197 3.081) 17.265 41.238 ( 1.292 6.596 -7.110) 9.784 41.369 ( 1.839 -5.171 -7.104) 8.977 41.791 ( -11.566 14.493 -13.295) 22.817 42.037 ( -12.552 -8.154 -14.109) 20.570 ======================= Grid point 136 (53/108) ======================= q-point: ( 0.36 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.652 ( 21.066 1.220 11.076) 23.832 3.734 ( 22.881 -4.883 7.783) 24.657 3.888 ( 20.205 8.026 7.118) 22.876 4.128 ( 12.515 -12.310 -1.189) 17.595 4.661 ( -3.347 2.752 -3.378) 5.494 4.687 ( 0.049 1.798 -2.043) 2.722 4.730 ( -4.013 5.027 -0.636) 6.464 4.932 ( -2.255 -11.056 1.618) 11.399 5.137 ( -15.674 6.375 -1.773) 17.014 5.325 ( -15.361 -8.598 -1.179) 17.643 5.558 ( -18.093 9.874 -9.483) 22.689 5.845 ( -15.610 -14.845 -10.513) 23.970 6.343 ( 11.561 14.955 -8.907) 20.896 6.559 ( 15.614 5.985 6.594) 17.975 6.795 ( 13.303 11.553 4.824) 18.268 7.127 ( 1.055 3.104 -8.275) 8.901 7.445 ( 14.100 -12.156 8.019) 20.270 7.574 ( 17.578 -12.620 2.724) 21.810 8.317 ( -14.686 10.269 -0.945) 17.945 8.537 ( -9.310 -8.428 5.907) 13.879 8.810 ( -5.667 2.045 3.998) 7.231 8.842 ( -3.230 -0.825 6.903) 7.666 9.125 ( -9.642 2.761 4.169) 10.862 9.187 ( -13.447 -2.706 -2.716) 13.983 15.670 ( 56.976 8.000 -0.029) 57.535 15.888 ( 50.878 -10.823 1.311) 52.033 16.925 ( 30.359 9.294 -22.333) 38.817 17.058 ( 23.268 -1.334 -15.452) 27.963 17.698 ( -11.769 0.368 11.031) 16.135 17.755 ( -9.705 -3.917 13.632) 17.186 18.475 ( -13.553 -1.419 15.062) 20.312 18.520 ( -8.684 -4.782 12.599) 16.032 21.132 ( 34.230 7.193 74.908) 82.671 21.291 ( 30.587 -7.049 64.838) 72.036 22.692 ( -13.567 1.537 39.805) 42.081 22.731 ( -15.424 -1.856 37.284) 40.391 24.321 ( 11.236 15.560 -7.190) 20.496 24.618 ( 12.203 -10.282 -4.438) 16.563 24.853 ( -1.874 14.416 -5.195) 15.438 25.105 ( 1.938 -5.650 -10.486) 12.068 26.484 ( 4.320 22.596 21.550) 31.522 26.583 ( 18.324 11.679 14.751) 26.264 26.989 ( 49.770 -12.572 9.559) 52.216 27.034 ( 2.575 -17.187 19.047) 25.784 27.347 ( 82.952 3.911 21.125) 85.689 27.476 ( 51.272 -8.381 17.394) 54.787 28.338 ( 19.205 8.854 23.846) 31.873 28.454 ( 9.771 0.626 20.665) 22.867 28.709 ( -6.175 -3.598 12.671) 14.547 28.848 ( -1.701 -13.040 20.291) 24.180 30.758 ( -0.041 10.532 -8.119) 13.298 31.001 ( 3.999 -10.648 -8.866) 14.422 31.341 ( 2.528 12.299 -6.880) 14.318 31.654 ( -0.131 -15.621 -9.372) 18.217 32.869 ( -42.558 3.001 -0.685) 42.670 32.931 ( -41.522 -2.358 -1.320) 41.610 33.639 ( 54.970 22.382 -6.022) 59.657 34.144 ( 54.734 -22.967 -12.785) 60.719 36.664 ( 7.825 13.257 -12.272) 19.687 36.943 ( -10.174 -7.459 -7.595) 14.725 37.206 ( -8.814 0.964 1.661) 9.021 37.407 ( -25.235 -9.050 7.618) 27.870 37.555 ( -18.828 13.994 3.077) 23.660 38.012 ( -13.513 -24.138 4.341) 28.001 39.877 ( -4.208 13.545 6.652) 15.666 40.140 ( -1.803 -9.819 4.821) 11.086 40.225 ( -15.933 15.878 3.876) 22.825 40.528 ( -14.256 -11.512 3.904) 18.734 41.278 ( 2.803 7.390 -8.276) 11.443 41.419 ( 3.315 -5.109 -8.241) 10.247 41.596 ( -8.597 11.808 -11.754) 18.748 41.812 ( -10.511 -7.642 -12.529) 18.051 ======================= Grid point 137 (54/108) ======================= q-point: ( 0.45 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.024 ( 16.585 3.518 7.246) 18.438 4.147 ( 14.569 -4.925 6.067) 16.532 4.175 ( 6.704 0.410 4.713) 8.205 4.266 ( 1.825 -4.897 1.750) 5.511 4.590 ( 0.292 7.525 -0.206) 7.533 4.656 ( -3.647 7.497 -0.997) 8.397 4.807 ( 4.582 0.930 -0.541) 4.707 4.876 ( -0.170 1.488 -5.143) 5.357 4.985 ( -16.938 -12.363 0.981) 20.993 5.067 ( 9.946 -7.307 -5.994) 13.720 5.182 ( -14.948 5.594 -8.062) 17.881 5.464 ( -21.295 -15.551 -9.416) 27.999 6.620 ( 14.615 16.089 -12.943) 25.298 6.796 ( 2.645 13.148 -5.194) 14.382 6.956 ( 5.693 -4.054 -8.506) 11.009 7.098 ( -4.222 0.039 -6.316) 7.598 7.683 ( 13.903 3.266 2.610) 14.518 7.919 ( 7.138 -2.056 9.958) 12.423 8.045 ( -4.586 -2.230 4.850) 7.037 8.304 ( -14.748 -14.135 8.872) 22.271 8.783 ( 3.193 5.261 5.477) 8.238 8.835 ( 1.548 1.186 8.830) 9.043 8.952 ( -8.930 -0.435 4.322) 9.931 8.962 ( -7.202 -0.682 6.603) 9.794 16.573 ( 36.158 6.957 2.856) 36.932 16.716 ( 36.178 -4.166 4.133) 36.651 17.107 ( -17.364 9.895 6.718) 21.085 17.291 ( -18.297 -5.524 4.650) 19.670 17.626 ( 23.829 5.911 -6.066) 25.290 17.821 ( 19.899 -10.172 -7.999) 23.736 18.125 ( -22.294 1.647 2.099) 22.453 18.243 ( -19.275 -7.541 0.107) 20.698 21.781 ( 31.653 3.821 67.594) 74.736 21.864 ( 27.784 -3.602 59.897) 66.126 22.329 ( -23.842 0.951 54.896) 59.857 22.356 ( -22.626 -1.557 49.470) 54.421 24.550 ( 11.843 17.760 -4.821) 21.884 24.750 ( -7.867 17.671 -3.889) 19.731 24.863 ( 11.779 -8.964 -3.101) 15.123 25.054 ( -6.847 -7.638 -5.072) 11.443 26.551 ( 3.987 21.530 21.955) 31.008 26.632 ( -3.541 17.549 20.062) 26.888 27.045 ( 2.451 -21.573 16.455) 27.243 27.107 ( -3.158 -22.774 13.872) 26.853 28.244 ( 14.472 6.524 25.326) 29.890 28.380 ( 9.002 -2.226 20.176) 22.205 28.487 ( -2.476 -1.927 21.602) 21.829 28.592 ( -6.567 -7.927 17.971) 20.710 29.599 ( 75.792 0.793 2.507) 75.838 29.637 ( 84.608 -1.994 2.381) 84.665 30.594 ( -22.748 11.128 -8.873) 26.834 30.852 ( -29.945 -11.399 -9.123) 33.315 31.429 ( 11.980 7.964 -5.952) 15.568 31.623 ( 2.684 -9.204 -8.748) 12.979 31.986 ( -39.596 0.466 0.438) 39.601 32.009 ( -46.368 -1.396 1.269) 46.407 34.877 ( 66.364 18.068 -3.379) 68.863 35.292 ( 60.186 -18.969 -7.624) 63.563 36.089 ( -56.640 12.612 -1.422) 58.044 36.369 ( -47.160 -11.252 -3.994) 48.647 37.103 ( 7.763 12.413 -2.912) 14.927 37.305 ( -10.461 17.942 0.620) 20.778 37.484 ( 16.187 -20.724 -5.276) 26.820 37.777 ( -13.074 -24.656 0.866) 27.922 39.844 ( 1.524 16.476 6.894) 17.925 39.957 ( -10.265 17.836 5.724) 21.360 40.156 ( 3.417 -12.005 5.232) 13.534 40.286 ( -10.006 -12.446 4.851) 16.689 41.347 ( 4.353 8.433 -9.539) 13.456 41.446 ( -5.544 9.573 -10.794) 15.456 41.509 ( 4.685 -5.497 -9.456) 11.899 41.634 ( -7.862 -6.708 -11.033) 15.118 ======================= Grid point 165 (55/108) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 0.000 0.000 36.599) 36.599 2.848 ( 0.000 0.000 39.499) 39.499 3.814 ( 0.000 0.000 19.454) 19.454 4.012 ( 0.000 0.000 -4.139) 4.139 4.260 ( 0.000 0.000 -7.322) 7.322 4.678 ( 0.000 0.000 41.445) 41.445 4.817 ( 0.000 0.000 -17.555) 17.555 5.085 ( 0.000 0.000 -5.097) 5.097 5.682 ( 0.000 0.000 -9.333) 9.333 5.696 ( 0.000 0.000 -6.479) 6.479 5.735 ( 0.000 0.000 21.855) 21.855 5.948 ( 0.000 0.000 -15.452) 15.452 6.201 ( 0.000 0.000 23.904) 23.904 6.234 ( 0.000 0.000 -2.014) 2.014 6.614 ( 0.000 0.000 15.393) 15.393 6.821 ( 0.000 0.000 11.155) 11.155 7.781 ( 0.000 0.000 17.227) 17.227 8.023 ( 0.000 0.000 4.513) 4.513 8.362 ( 0.000 0.000 -5.656) 5.656 8.402 ( 0.000 0.000 -21.742) 21.742 8.603 ( 0.000 0.000 7.041) 7.041 9.198 ( 0.000 0.000 -2.875) 2.875 9.526 ( 0.000 0.000 -16.515) 16.515 9.670 ( 0.000 0.000 -29.153) 29.153 10.373 ( 0.000 0.000 29.157) 29.157 11.959 ( 0.000 0.000 26.019) 26.019 14.017 ( 0.000 0.000 -56.900) 56.900 14.598 ( 0.000 0.000 -35.419) 35.419 18.041 ( 0.000 0.000 46.201) 46.201 18.630 ( 0.000 0.000 53.941) 53.941 19.477 ( 0.000 0.000 8.612) 8.612 19.548 ( 0.000 0.000 49.685) 49.685 19.983 ( 0.000 0.000 19.274) 19.274 20.251 ( 0.000 0.000 0.916) 0.916 20.297 ( 0.000 0.000 55.589) 55.589 20.847 ( 0.000 0.000 17.854) 17.854 22.690 ( 0.000 0.000 13.580) 13.580 23.248 ( 0.000 0.000 -14.847) 14.847 23.586 ( 0.000 0.000 -11.514) 11.514 23.606 ( 0.000 0.000 -21.426) 21.426 25.574 ( 0.000 0.000 26.331) 26.331 25.822 ( 0.000 0.000 19.050) 19.050 26.076 ( 0.000 0.000 20.145) 20.145 26.645 ( 0.000 0.000 11.668) 11.668 26.665 ( 0.000 0.000 -0.556) 0.556 27.132 ( 0.000 0.000 1.542) 1.542 27.520 ( 0.000 0.000 -11.201) 11.201 28.240 ( 0.000 0.000 -20.499) 20.499 29.531 ( 0.000 0.000 36.948) 36.948 30.149 ( 0.000 0.000 54.747) 54.747 30.194 ( 0.000 0.000 46.866) 46.866 30.249 ( 0.000 0.000 49.110) 49.110 31.078 ( 0.000 0.000 -3.632) 3.632 31.467 ( 0.000 0.000 20.231) 20.231 32.718 ( 0.000 0.000 -23.523) 23.523 33.302 ( 0.000 0.000 1.338) 1.338 34.130 ( 0.000 0.000 -12.575) 12.575 34.362 ( 0.000 0.000 -9.437) 9.437 35.276 ( 0.000 0.000 -37.346) 37.346 35.887 ( 0.000 0.000 -39.689) 39.689 37.683 ( 0.000 0.000 19.223) 19.223 38.618 ( 0.000 0.000 -4.326) 4.326 39.405 ( 0.000 0.000 9.754) 9.754 40.156 ( 0.000 0.000 11.388) 11.388 40.407 ( 0.000 0.000 0.267) 0.267 40.481 ( 0.000 0.000 -1.253) 1.253 40.727 ( 0.000 0.000 -15.587) 15.587 40.771 ( 0.000 0.000 3.585) 3.585 41.219 ( 0.000 0.000 -6.677) 6.677 41.279 ( 0.000 0.000 -9.446) 9.446 41.505 ( 0.000 0.000 3.134) 3.134 42.274 ( 0.000 0.000 -18.012) 18.012 ======================= Grid point 166 (56/108) ======================= q-point: ( 0.09 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 16.082 0.000 32.874) 36.597 2.988 ( 13.942 0.000 37.414) 39.927 3.799 ( -1.084 0.000 15.866) 15.903 4.069 ( 5.371 0.000 -2.140) 5.781 4.306 ( 4.704 0.000 -7.417) 8.783 4.775 ( 8.824 0.000 31.582) 32.792 4.822 ( 0.144 0.000 -15.792) 15.793 5.078 ( -0.777 0.000 1.285) 1.502 5.578 ( -13.137 0.000 20.754) 24.563 5.590 ( -8.779 0.000 -7.296) 11.415 5.664 ( -0.784 0.000 -7.810) 7.850 5.982 ( -11.099 0.000 9.983) 14.928 6.017 ( 3.583 0.000 -14.430) 14.868 6.363 ( 0.832 0.000 7.221) 7.269 6.544 ( -4.991 0.000 12.901) 13.833 6.918 ( 10.533 0.000 9.361) 14.092 7.747 ( -5.973 0.000 11.441) 12.906 8.118 ( 7.281 0.000 1.654) 7.467 8.181 ( -7.925 0.000 5.961) 9.917 8.405 ( 0.577 0.000 -15.482) 15.493 8.821 ( 14.000 0.000 3.429) 14.414 9.244 ( -0.124 0.000 -8.926) 8.927 9.437 ( -7.202 0.000 -13.136) 14.981 9.609 ( -6.008 0.000 -28.414) 29.042 11.327 ( 86.525 0.000 12.853) 87.475 12.317 ( 37.112 0.000 21.906) 43.095 14.332 ( 29.162 0.000 -52.547) 60.097 14.686 ( 10.326 0.000 -33.504) 35.059 18.143 ( 8.726 0.000 41.911) 42.809 18.721 ( 6.279 0.000 45.167) 45.602 19.244 ( -9.183 0.000 24.645) 26.300 19.917 ( -11.109 0.000 21.046) 23.798 20.146 ( 42.987 0.000 40.985) 59.394 20.539 ( 33.790 0.000 20.993) 39.781 20.870 ( 56.675 0.000 35.395) 66.820 21.273 ( 47.050 0.000 19.285) 50.849 22.710 ( 2.465 0.000 12.509) 12.749 23.296 ( 4.833 0.000 -13.670) 14.499 23.535 ( -0.796 0.000 -12.340) 12.365 23.771 ( 12.243 0.000 -19.748) 23.235 25.459 ( -10.289 0.000 26.294) 28.236 25.775 ( -4.617 0.000 21.227) 21.724 26.086 ( 1.376 0.000 21.549) 21.593 26.663 ( 3.273 0.000 13.296) 13.693 26.739 ( 7.530 0.000 -0.551) 7.550 27.182 ( 5.098 0.000 -3.374) 6.114 27.816 ( 26.295 0.000 -16.843) 31.227 28.309 ( 6.772 0.000 -18.985) 20.156 29.464 ( -6.310 0.000 41.292) 41.772 30.099 ( -2.825 0.000 53.770) 53.844 30.352 ( 14.031 0.000 48.640) 50.623 30.369 ( 12.105 0.000 45.390) 46.976 31.057 ( -1.968 0.000 -5.668) 6.000 31.420 ( -4.547 0.000 19.699) 20.217 32.643 ( -7.602 0.000 -22.995) 24.219 33.251 ( -4.482 0.000 1.007) 4.594 34.064 ( -6.876 0.000 -12.163) 13.972 34.285 ( -7.945 0.000 -9.641) 12.492 35.327 ( 5.205 0.000 -36.571) 36.940 35.976 ( 9.098 0.000 -38.661) 39.717 37.645 ( -3.934 0.000 18.352) 18.769 38.520 ( -10.146 0.000 -3.973) 10.896 39.387 ( -1.794 0.000 10.766) 10.914 40.115 ( -4.598 0.000 11.704) 12.574 40.250 ( -18.526 0.000 3.363) 18.829 40.420 ( -6.589 0.000 -2.270) 6.969 40.653 ( -7.392 0.000 6.571) 9.890 40.724 ( -0.105 0.000 -15.100) 15.100 41.189 ( -2.769 0.000 -7.974) 8.441 41.292 ( 0.979 0.000 -8.937) 8.991 41.463 ( -4.424 0.000 2.952) 5.319 42.220 ( -5.440 0.000 -17.638) 18.458 ======================= Grid point 167 (57/108) ======================= q-point: ( 0.18 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 20.837 0.000 25.229) 32.721 3.351 ( 22.032 0.000 31.645) 38.559 3.795 ( 1.578 0.000 12.656) 12.754 4.200 ( 7.755 0.000 -2.171) 8.053 4.423 ( 6.185 0.000 -10.424) 12.121 4.807 ( -1.865 0.000 -11.623) 11.772 4.879 ( -1.319 0.000 -0.345) 1.363 5.138 ( 5.455 0.000 12.338) 13.490 5.307 ( -8.610 0.000 30.399) 31.595 5.389 ( -11.034 0.000 -5.143) 12.173 5.724 ( 4.424 0.000 -13.420) 14.130 5.779 ( -10.284 0.000 6.514) 12.173 6.031 ( 0.430 0.000 -2.788) 2.821 6.264 ( -9.647 0.000 0.756) 9.676 6.479 ( -1.892 0.000 2.413) 3.066 7.189 ( 15.587 0.000 4.274) 16.162 7.488 ( -18.446 0.000 6.176) 19.452 8.171 ( -2.993 0.000 -11.935) 12.305 8.192 ( 7.283 0.000 16.880) 18.384 8.488 ( 7.969 0.000 5.214) 9.523 9.057 ( 9.801 0.000 4.682) 10.862 9.119 ( -12.205 0.000 -14.766) 19.158 9.322 ( -4.071 0.000 -4.037) 5.734 9.451 ( -10.072 0.000 -26.011) 27.893 12.983 ( 70.478 0.000 4.556) 70.625 13.508 ( 87.038 0.000 0.486) 87.040 14.838 ( 20.202 0.000 -32.930) 38.633 15.188 ( 41.428 0.000 -36.325) 55.097 18.285 ( 3.935 0.000 31.175) 31.422 18.683 ( -11.666 0.000 25.367) 27.921 19.168 ( 0.038 0.000 25.035) 25.035 19.664 ( -14.928 0.000 15.751) 21.701 21.030 ( 46.249 0.000 61.915) 77.281 21.259 ( 40.214 0.000 45.926) 61.043 22.453 ( 96.016 0.000 17.998) 97.688 22.671 ( 75.179 0.000 10.739) 75.942 22.838 ( 25.645 0.000 12.364) 28.470 23.439 ( 12.410 0.000 -8.964) 15.309 23.569 ( 6.434 0.000 -6.219) 8.948 24.053 ( 15.854 0.000 -21.046) 26.349 25.271 ( -5.812 0.000 27.599) 28.204 25.660 ( -6.223 0.000 26.945) 27.655 26.144 ( 4.737 0.000 24.470) 24.924 26.785 ( 8.880 0.000 13.841) 16.444 26.950 ( 14.028 0.000 0.011) 14.028 27.325 ( 9.337 0.000 -10.925) 14.371 28.362 ( 26.170 0.000 -22.386) 34.438 28.477 ( 9.735 0.000 -15.226) 18.072 29.313 ( -8.497 0.000 51.822) 52.514 30.037 ( -3.761 0.000 52.872) 53.005 30.694 ( 15.884 0.000 45.286) 47.991 30.701 ( 21.005 0.000 34.281) 40.204 31.033 ( 1.191 0.000 -11.384) 11.447 31.350 ( 2.695 0.000 20.753) 20.927 32.435 ( -13.469 0.000 -21.604) 25.459 33.195 ( 1.202 0.000 -1.779) 2.148 33.863 ( -13.644 0.000 -10.074) 16.960 34.051 ( -16.326 0.000 -9.494) 18.886 35.472 ( 9.634 0.000 -34.250) 35.579 36.233 ( 17.214 0.000 -36.118) 40.010 37.535 ( -7.304 0.000 15.536) 17.167 38.220 ( -21.092 0.000 -2.970) 21.300 39.339 ( -3.142 0.000 11.921) 12.328 39.681 ( -34.539 0.000 14.663) 37.522 40.023 ( -6.814 0.000 11.214) 13.121 40.216 ( -14.689 0.000 -4.768) 15.443 40.562 ( -2.991 0.000 6.254) 6.933 40.728 ( 0.510 0.000 -14.305) 14.314 41.121 ( -4.001 0.000 -9.729) 10.519 41.310 ( 0.917 0.000 -9.015) 9.061 41.334 ( -8.853 0.000 2.994) 9.346 42.073 ( -9.314 0.000 -16.738) 19.155 ======================= Grid point 168 (58/108) ======================= q-point: ( 0.27 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.449 ( 20.338 0.000 17.149) 26.603 3.706 ( 10.322 0.000 13.447) 16.952 3.972 ( 20.385 0.000 21.951) 29.957 4.359 ( 8.350 0.000 -4.408) 9.442 4.471 ( -2.389 0.000 -8.783) 9.103 4.762 ( -2.320 0.000 -7.061) 7.433 4.826 ( -7.031 0.000 4.434) 8.312 4.982 ( -4.715 0.000 -8.530) 9.746 5.173 ( -11.290 0.000 -4.891) 12.304 5.442 ( 2.694 0.000 6.056) 6.628 5.588 ( -8.688 0.000 3.671) 9.431 5.758 ( 6.146 0.000 4.641) 7.701 6.026 ( -14.315 0.000 -5.476) 15.327 6.199 ( 15.650 0.000 6.716) 17.030 6.446 ( -1.154 0.000 -7.993) 8.076 7.057 ( -22.968 0.000 2.868) 23.147 7.532 ( 17.101 0.000 6.009) 18.126 8.052 ( -8.313 0.000 -10.524) 13.411 8.388 ( 11.769 0.000 17.480) 21.073 8.599 ( -1.946 0.000 2.404) 3.093 8.876 ( -7.575 0.000 -5.646) 9.447 9.189 ( 3.367 0.000 6.257) 7.105 9.227 ( -12.524 0.000 -21.435) 24.825 9.253 ( -3.392 0.000 1.851) 3.864 14.271 ( 65.461 0.000 1.831) 65.487 15.186 ( 79.353 0.000 -10.334) 80.023 15.279 ( 26.080 0.000 -21.389) 33.729 16.028 ( 42.285 0.000 -25.356) 49.305 18.258 ( -7.022 0.000 20.133) 21.323 18.360 ( -19.659 0.000 16.563) 25.706 19.110 ( -7.748 0.000 14.915) 16.807 19.335 ( -19.114 0.000 10.219) 21.674 21.876 ( 39.208 0.000 74.416) 84.113 22.025 ( 36.816 0.000 58.184) 68.854 23.032 ( 15.094 0.000 15.360) 21.535 23.435 ( 4.743 0.000 9.120) 10.280 23.504 ( 8.968 0.000 -9.933) 13.382 24.321 ( 16.626 0.000 -14.647) 22.157 24.437 ( 51.086 0.000 -8.504) 51.789 24.651 ( 63.324 0.000 2.694) 63.381 25.562 ( 56.911 0.000 34.566) 66.585 25.759 ( 39.494 0.000 35.463) 53.080 26.267 ( 7.804 0.000 26.477) 27.603 26.991 ( 12.758 0.000 12.525) 17.878 27.272 ( 19.137 0.000 3.192) 19.402 27.528 ( 11.138 0.000 -11.216) 15.807 28.660 ( 8.800 0.000 -7.816) 11.770 28.723 ( 10.026 0.000 -13.923) 17.158 29.180 ( -3.834 0.000 62.040) 62.159 29.951 ( -5.178 0.000 49.814) 50.083 30.747 ( -6.043 0.000 16.750) 17.807 31.004 ( -4.566 0.000 -3.246) 5.602 31.072 ( 13.739 0.000 16.622) 21.565 31.892 ( 49.742 0.000 23.007) 54.805 32.139 ( -16.604 0.000 -19.959) 25.962 33.267 ( -9.042 0.000 -11.973) 15.003 33.643 ( -26.036 0.000 -7.601) 27.123 33.696 ( 14.042 0.000 -0.732) 14.061 35.694 ( 13.110 0.000 -30.284) 33.000 36.634 ( 23.717 0.000 -32.634) 40.342 37.364 ( -10.359 0.000 10.371) 14.659 37.697 ( -32.747 0.000 -1.389) 32.777 38.918 ( -40.477 0.000 11.420) 42.057 39.323 ( -1.476 0.000 19.627) 19.683 39.844 ( -23.800 0.000 -7.787) 25.041 39.875 ( -8.247 0.000 12.358) 14.857 40.517 ( -1.686 0.000 6.327) 6.547 40.744 ( 1.162 0.000 -14.115) 14.162 41.039 ( -4.360 0.000 -11.282) 12.095 41.129 ( -11.896 0.000 3.592) 12.427 41.329 ( 1.049 0.000 -9.594) 9.652 41.875 ( -10.678 0.000 -15.673) 18.965 ======================= Grid point 169 (59/108) ======================= q-point: ( 0.36 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( 19.713 0.000 9.185) 21.747 3.875 ( 9.898 0.000 5.830) 11.487 4.387 ( -4.260 0.000 -3.757) 5.680 4.407 ( 18.163 0.000 14.719) 23.378 4.517 ( 8.668 0.000 -2.620) 9.055 4.593 ( -12.206 0.000 5.947) 13.578 4.698 ( -6.097 0.000 0.977) 6.175 4.968 ( -6.707 0.000 -13.609) 15.171 4.989 ( -4.428 0.000 -8.404) 9.500 5.390 ( 2.250 0.000 -11.213) 11.437 5.493 ( 0.653 0.000 1.775) 1.892 5.727 ( -16.257 0.000 -8.032) 18.133 5.930 ( 2.574 0.000 -6.809) 7.279 6.445 ( 10.668 0.000 13.772) 17.421 6.587 ( -25.200 0.000 6.760) 26.091 6.598 ( 17.131 0.000 -5.358) 17.950 7.871 ( 17.703 0.000 0.667) 17.716 7.873 ( -9.281 0.000 -5.489) 10.783 8.338 ( -19.118 0.000 -11.642) 22.384 8.603 ( 8.317 0.000 13.182) 15.586 8.910 ( 5.803 0.000 11.228) 12.639 8.975 ( -11.338 0.000 -13.989) 18.007 9.186 ( -3.588 0.000 6.661) 7.566 9.202 ( -2.279 0.000 8.525) 8.824 15.495 ( 59.531 0.000 -2.362) 59.578 15.836 ( 30.621 0.000 -11.038) 32.550 16.516 ( 57.319 0.000 -9.955) 58.177 16.744 ( 28.421 0.000 -10.823) 30.412 17.991 ( -15.340 0.000 7.718) 17.173 18.014 ( -17.487 0.000 11.727) 21.055 18.859 ( -17.820 0.000 6.526) 18.977 18.919 ( -24.075 0.000 5.318) 24.655 22.516 ( 27.135 0.000 62.390) 68.036 22.632 ( 25.333 0.000 55.639) 61.135 23.270 ( 5.480 0.000 26.006) 26.577 23.417 ( -4.813 0.000 23.730) 24.213 23.721 ( 16.481 0.000 0.327) 16.484 24.546 ( 11.524 0.000 -11.395) 16.207 24.860 ( -12.616 0.000 18.322) 22.246 24.873 ( 8.145 0.000 -0.191) 8.147 26.435 ( 9.760 0.000 25.755) 27.542 26.826 ( 20.971 0.000 18.102) 27.703 27.229 ( 58.361 0.000 0.292) 58.362 27.723 ( 10.539 0.000 -6.050) 12.152 27.723 ( 85.982 0.000 14.400) 87.179 27.828 ( 53.127 0.000 20.034) 56.779 28.823 ( 8.502 0.000 4.981) 9.854 28.828 ( 5.963 0.000 14.379) 15.567 29.151 ( -1.290 0.000 53.279) 53.294 29.847 ( -4.273 0.000 42.778) 42.991 30.580 ( -10.017 0.000 6.256) 11.810 30.967 ( 2.535 0.000 -4.110) 4.829 31.190 ( -0.906 0.000 -0.341) 0.968 31.819 ( -15.351 0.000 -17.845) 23.539 32.727 ( -38.715 0.000 -7.517) 39.438 32.821 ( -3.793 0.000 -2.536) 4.563 33.255 ( 32.325 0.000 12.065) 34.504 34.482 ( 55.446 0.000 -1.854) 55.477 35.968 ( 14.603 0.000 -24.393) 28.430 36.817 ( -37.400 0.000 -7.205) 38.088 37.135 ( -13.080 0.000 2.991) 13.418 37.271 ( 21.001 0.000 -20.214) 29.149 38.070 ( -46.848 0.000 10.452) 48.000 39.296 ( -32.375 0.000 -11.338) 34.302 39.333 ( 2.388 0.000 18.928) 19.078 39.710 ( -8.683 0.000 13.932) 16.416 40.503 ( 0.561 0.000 6.565) 6.588 40.773 ( 1.908 0.000 -14.256) 14.384 40.891 ( -12.097 0.000 4.666) 12.966 40.956 ( -4.149 0.000 -12.580) 13.247 41.356 ( 1.991 0.000 -10.544) 10.731 41.676 ( -9.509 0.000 -14.523) 17.360 ======================= Grid point 170 (60/108) ======================= q-point: ( 0.45 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.113 ( 14.463 0.000 4.073) 15.026 4.186 ( 13.998 0.000 1.920) 14.129 4.335 ( -3.214 0.000 -0.094) 3.216 4.408 ( -14.334 0.000 3.227) 14.693 4.444 ( 1.721 0.000 1.918) 2.577 4.629 ( 4.125 0.000 -5.959) 7.247 4.680 ( 0.966 0.000 1.214) 1.551 4.695 ( -17.510 0.000 -4.531) 18.087 5.099 ( 13.846 0.000 -3.618) 14.311 5.405 ( -16.492 0.000 -5.831) 17.492 5.571 ( 12.887 0.000 -18.686) 22.699 5.670 ( 17.155 0.000 4.596) 17.760 5.816 ( -11.183 0.000 -18.796) 21.871 6.096 ( -24.895 0.000 7.751) 26.073 6.722 ( 14.136 0.000 9.913) 17.265 6.846 ( 4.280 0.000 2.449) 4.931 7.768 ( 1.486 0.000 -4.899) 5.120 7.970 ( -17.114 0.000 -9.598) 19.622 8.213 ( 17.528 0.000 -3.956) 17.969 8.533 ( -14.189 0.000 -5.744) 15.308 8.955 ( 7.725 0.000 8.398) 11.411 9.020 ( 5.233 0.000 12.021) 13.111 9.110 ( -6.936 0.000 10.007) 12.176 9.111 ( -4.198 0.000 10.191) 11.021 16.430 ( 29.607 0.000 -1.718) 29.657 16.534 ( 46.659 0.000 -3.413) 46.784 16.899 ( -14.194 0.000 2.866) 14.480 17.179 ( -7.360 0.000 -6.353) 9.722 17.823 ( 16.807 0.000 4.641) 17.436 17.995 ( 17.619 0.000 -3.438) 17.952 18.393 ( -30.382 0.000 1.855) 30.438 18.443 ( -24.206 0.000 0.151) 24.206 22.951 ( 18.241 0.000 43.299) 46.984 23.020 ( 15.648 0.000 44.779) 47.434 23.220 ( -9.128 0.000 30.408) 31.749 23.268 ( -10.279 0.000 34.920) 36.401 24.117 ( 22.077 0.000 17.249) 28.017 24.529 ( -19.915 0.000 21.818) 29.541 24.780 ( 11.236 0.000 -2.542) 11.520 24.924 ( -2.712 0.000 1.257) 2.989 26.642 ( 11.435 0.000 21.818) 24.633 26.848 ( -8.193 0.000 17.105) 18.966 27.708 ( 10.981 0.000 -1.210) 11.048 27.814 ( -0.176 0.000 -0.600) 0.625 28.843 ( 13.826 0.000 41.688) 43.921 28.918 ( 25.026 0.000 14.446) 28.896 29.003 ( 9.155 0.000 23.884) 25.578 29.038 ( -6.625 0.000 44.849) 45.336 29.697 ( 80.920 0.000 0.171) 80.920 29.962 ( 21.716 0.000 20.722) 30.016 30.360 ( -14.191 0.000 3.898) 14.717 30.922 ( -35.962 0.000 -10.774) 37.541 31.215 ( 27.810 0.000 -2.134) 27.892 31.639 ( 0.855 0.000 -10.973) 11.007 31.952 ( -33.166 0.000 -4.613) 33.485 32.044 ( -49.950 0.000 -2.210) 49.999 34.505 ( 70.109 0.000 7.627) 70.523 35.601 ( 54.607 0.000 -1.972) 54.643 35.795 ( -61.431 0.000 1.907) 61.461 36.184 ( 1.312 0.000 -14.842) 14.899 36.894 ( -8.741 0.000 -3.870) 9.559 37.163 ( -40.994 0.000 5.049) 41.303 37.891 ( 36.255 0.000 -20.853) 41.824 38.613 ( -37.273 0.000 -15.810) 40.487 39.413 ( 5.722 0.000 17.735) 18.635 39.547 ( -7.899 0.000 15.868) 17.725 40.550 ( 4.493 0.000 6.463) 7.871 40.682 ( -9.080 0.000 5.785) 10.766 40.819 ( 2.781 0.000 -14.179) 14.449 40.881 ( -3.586 0.000 -13.600) 14.065 41.413 ( 4.004 0.000 -11.803) 12.463 41.517 ( -6.821 0.000 -13.204) 14.861 ======================= Grid point 176 (61/108) ======================= q-point: ( 0.00 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( 0.000 12.868 33.655) 36.031 2.872 ( 0.000 3.077 36.921) 37.049 3.697 ( 0.000 -10.200 20.244) 22.669 3.705 ( 0.000 -18.016 3.309) 18.317 4.550 ( 0.000 16.247 -11.575) 19.949 4.853 ( 0.000 13.070 26.107) 29.196 4.871 ( 0.000 5.019 -17.139) 17.858 5.078 ( 0.000 -0.118 -0.412) 0.428 5.608 ( 0.000 -2.982 -6.869) 7.489 5.755 ( 0.000 -1.079 8.492) 8.560 5.779 ( 0.000 3.728 -5.385) 6.549 5.817 ( 0.000 -6.730 0.632) 6.760 6.190 ( 0.000 -0.862 21.918) 21.935 6.273 ( 0.000 1.028 -3.503) 3.651 6.458 ( 0.000 -7.796 17.858) 19.485 6.985 ( 0.000 10.628 10.302) 14.801 7.393 ( 0.000 -25.130 24.394) 35.023 7.897 ( 0.000 -13.864 -0.286) 13.867 8.435 ( 0.000 6.036 -6.173) 8.634 8.534 ( 0.000 9.839 -13.939) 17.062 8.830 ( 0.000 14.621 -0.705) 14.638 9.249 ( 0.000 4.523 -5.837) 7.384 9.481 ( 0.000 -4.058 -15.344) 15.872 9.637 ( 0.000 -3.118 -27.447) 27.624 10.494 ( 0.000 11.381 30.055) 32.138 11.796 ( 0.000 -14.480 26.734) 30.404 14.111 ( 0.000 8.158 -55.885) 56.478 14.603 ( 0.000 -0.517 -39.639) 39.642 18.052 ( 0.000 1.308 46.954) 46.972 18.497 ( 0.000 -10.285 53.176) 54.161 19.463 ( 0.000 -1.063 11.694) 11.742 19.529 ( 0.000 -1.929 42.475) 42.519 20.008 ( 0.000 2.116 23.732) 23.826 20.269 ( 0.000 -2.628 53.743) 53.807 20.355 ( 0.000 8.702 7.585) 11.544 20.824 ( 0.000 -2.275 17.426) 17.574 22.741 ( 0.000 4.441 10.674) 11.561 23.106 ( 0.000 -7.785 -8.008) 11.168 23.659 ( 0.000 6.089 -12.683) 14.069 23.772 ( 0.000 9.114 -24.517) 26.156 25.494 ( 0.000 -6.398 23.191) 24.057 25.556 ( 0.000 -13.277 19.219) 23.359 26.413 ( 0.000 19.400 18.948) 27.118 26.674 ( 0.000 5.772 14.290) 15.411 26.829 ( 0.000 9.947 -7.207) 12.283 27.320 ( 0.000 15.580 4.195) 16.134 27.430 ( 0.000 -7.632 -12.866) 14.960 28.220 ( 0.000 -2.865 -14.072) 14.360 29.552 ( 0.000 1.988 35.821) 35.876 30.009 ( 0.000 -10.046 49.579) 50.586 30.197 ( 0.000 0.268 48.891) 48.892 30.278 ( 0.000 0.247 49.838) 49.838 31.086 ( 0.000 1.223 -5.063) 5.208 31.403 ( 0.000 -5.186 17.135) 17.903 32.733 ( 0.000 1.663 -20.321) 20.389 33.209 ( 0.000 -8.062 0.968) 8.120 34.156 ( 0.000 2.232 -12.085) 12.289 34.340 ( 0.000 -1.892 -9.745) 9.927 35.329 ( 0.000 4.746 -37.269) 37.570 35.818 ( 0.000 -5.954 -39.167) 39.617 37.767 ( 0.000 7.830 19.817) 21.308 38.687 ( 0.000 6.380 -3.962) 7.510 39.121 ( 0.000 -23.611 12.369) 26.655 39.835 ( 0.000 -33.254 0.490) 33.258 40.209 ( 0.000 4.544 10.226) 11.190 40.516 ( 0.000 -2.991 3.516) 4.616 40.663 ( 0.000 12.437 -0.475) 12.446 41.083 ( 0.000 5.659 -3.514) 6.661 41.241 ( 0.000 -3.477 -8.925) 9.578 41.462 ( 0.000 -3.872 3.049) 4.928 41.575 ( 0.000 23.684 -17.812) 29.634 42.255 ( 0.000 -1.887 -18.325) 18.422 ======================= Grid point 177 (62/108) ======================= q-point: ( 0.09 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 12.680 9.332 30.763) 34.557 3.009 ( 13.317 3.019 35.039) 37.606 3.664 ( -0.483 -12.114 13.379) 18.055 3.797 ( 6.541 -14.714 7.976) 17.970 4.587 ( 3.683 15.471 -10.761) 19.202 4.809 ( -2.417 2.978 -9.025) 9.806 4.960 ( 4.406 8.909 3.925) 10.686 5.091 ( 2.585 2.920 11.106) 11.771 5.542 ( -8.010 -1.919 -1.798) 8.431 5.598 ( -9.667 -0.127 6.396) 11.592 5.684 ( -3.987 0.251 -0.037) 3.995 5.897 ( -2.125 -3.593 3.085) 5.190 6.094 ( 0.613 4.927 -1.710) 5.251 6.370 ( -1.446 -0.144 9.976) 10.081 6.498 ( 4.767 -2.831 11.312) 12.598 6.981 ( 2.557 5.634 8.460) 10.481 7.487 ( 7.635 -22.321 22.532) 32.622 7.763 ( -11.534 -14.802 0.682) 18.778 8.430 ( -1.409 7.816 -10.733) 13.351 8.565 ( 3.510 10.426 -4.690) 11.959 8.903 ( 6.427 7.148 0.861) 9.651 9.249 ( -2.230 0.548 -9.633) 9.903 9.412 ( -5.526 -1.923 -12.035) 13.382 9.579 ( -5.725 -2.764 -26.653) 27.400 11.374 ( 79.601 4.968 16.160) 81.377 12.194 ( 40.458 -10.778 22.230) 47.404 14.405 ( 27.600 6.266 -51.887) 59.103 14.711 ( 11.972 1.351 -37.451) 39.341 18.156 ( 8.866 1.443 42.597) 43.534 18.598 ( 7.636 -9.700 45.999) 47.627 19.274 ( -8.382 2.797 24.265) 25.824 19.742 ( -1.019 -10.808 24.204) 26.527 20.303 ( 34.420 9.003 40.523) 53.925 20.618 ( 26.260 5.344 23.634) 35.731 20.844 ( 60.792 -0.989 33.618) 69.475 21.240 ( 46.712 -3.221 18.857) 50.478 22.767 ( 3.163 5.025 9.957) 11.593 23.155 ( 4.920 -7.537 -6.182) 10.919 23.669 ( 1.691 8.210 -13.683) 16.047 23.869 ( 9.162 6.309 -23.047) 25.591 25.388 ( -8.645 -5.581 21.979) 24.268 25.545 ( -1.989 -12.225 22.377) 25.576 26.410 ( -0.098 20.092 20.058) 28.391 26.688 ( 2.361 4.721 13.993) 14.955 26.881 ( 5.725 9.469 -5.612) 12.407 27.267 ( 1.018 4.054 -3.550) 5.484 27.783 ( 26.280 0.070 -13.685) 29.629 28.314 ( 9.352 -1.120 -13.284) 16.284 29.489 ( -5.959 2.319 39.831) 40.341 29.978 ( -2.546 -9.900 49.944) 50.980 30.332 ( 13.322 -0.517 48.296) 50.102 30.391 ( 11.395 0.001 47.727) 49.069 31.067 ( -1.691 1.362 -6.991) 7.320 31.360 ( -4.080 -4.755 16.496) 17.646 32.658 ( -7.545 1.662 -19.860) 21.310 33.153 ( -4.918 -8.427 0.771) 9.787 34.089 ( -7.021 2.117 -11.772) 13.870 34.264 ( -7.860 -1.817 -9.911) 12.780 35.383 ( 5.472 4.988 -36.487) 37.230 35.903 ( 8.612 -6.363 -38.149) 39.624 37.730 ( -3.756 7.963 18.948) 20.894 38.590 ( -10.051 6.383 -3.530) 12.419 39.091 ( -2.996 -24.241 13.314) 27.819 39.702 ( -13.715 -30.324 2.883) 33.406 40.176 ( -3.352 4.701 10.141) 11.669 40.505 ( -1.114 -3.334 3.710) 5.111 40.623 ( -4.353 13.395 -0.427) 14.091 41.039 ( -4.137 7.136 -4.873) 9.581 41.241 ( -0.224 -3.092 -8.800) 9.330 41.394 ( -6.510 0.496 -0.989) 6.604 41.508 ( -5.723 17.152 -12.139) 21.779 42.198 ( -5.726 -2.181 -17.901) 18.921 ======================= Grid point 178 (63/108) ======================= q-point: ( 0.18 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 18.805 4.442 23.906) 30.739 3.339 ( 19.275 0.139 29.856) 35.537 3.686 ( 3.383 -9.148 13.355) 16.537 3.951 ( 9.126 -13.993 3.338) 17.036 4.651 ( 0.445 10.543 -11.377) 15.518 4.766 ( -1.582 -1.305 -10.307) 10.509 4.939 ( -3.276 4.502 -4.668) 7.266 5.211 ( 1.070 5.001 5.056) 7.191 5.313 ( -7.009 0.402 20.458) 21.630 5.439 ( -8.922 3.797 -2.612) 10.042 5.677 ( 1.003 -3.891 -9.105) 9.952 5.842 ( 0.350 3.664 10.580) 11.202 6.103 ( -1.885 7.747 -6.410) 10.230 6.289 ( -5.627 2.426 8.462) 10.448 6.523 ( -0.484 5.084 4.362) 6.716 7.133 ( 9.564 -4.960 -0.827) 10.805 7.394 ( -14.852 -7.280 5.609) 17.465 7.774 ( 12.416 -23.954 20.076) 33.631 8.366 ( -4.800 9.100 -9.967) 14.324 8.659 ( 5.470 8.521 4.422) 11.049 9.024 ( 3.756 -1.740 1.662) 4.460 9.127 ( -8.617 -0.157 -10.373) 13.486 9.319 ( -3.902 0.040 -6.385) 7.483 9.432 ( -8.992 -1.672 -23.305) 25.035 12.966 ( 72.704 -0.640 6.627) 73.008 13.394 ( 82.974 -9.193 4.637) 83.610 14.935 ( 23.687 7.431 -36.033) 43.757 15.200 ( 39.183 0.665 -36.963) 53.870 18.300 ( 3.993 1.549 31.689) 31.977 18.628 ( -7.260 -5.087 28.597) 29.940 19.163 ( -3.360 0.514 22.863) 23.115 19.571 ( -13.511 -7.593 17.271) 23.205 21.101 ( 43.755 5.308 60.690) 75.007 21.270 ( 39.040 0.741 47.302) 61.336 22.462 ( 96.843 1.104 17.407) 98.401 22.663 ( 85.791 -1.226 11.424) 86.557 22.909 ( 19.652 6.078 11.103) 23.376 23.291 ( 10.250 -7.199 0.168) 12.526 23.744 ( 7.645 10.090 -11.861) 17.348 24.093 ( 13.010 2.163 -21.724) 25.414 25.243 ( -3.493 -2.120 23.059) 23.418 25.492 ( -2.220 -10.493 26.596) 28.677 26.426 ( 2.159 20.040 22.910) 30.514 26.782 ( 7.104 2.015 13.402) 15.302 27.049 ( 11.364 6.906 -2.575) 13.545 27.342 ( 5.829 -0.798 -10.117) 11.703 28.288 ( 22.659 -1.559 -14.430) 26.909 28.562 ( 15.328 2.734 -14.052) 20.974 29.347 ( -8.029 3.204 49.570) 50.318 29.920 ( -3.437 -10.032 49.610) 50.731 30.664 ( 14.494 -2.252 44.759) 47.101 30.694 ( 20.185 -0.766 35.533) 40.873 31.049 ( 0.482 1.392 -10.207) 10.312 31.305 ( 3.644 -3.543 15.980) 16.769 32.462 ( -11.717 2.814 -18.147) 21.783 33.086 ( 0.694 -9.505 -1.255) 9.612 33.882 ( -14.297 1.659 -10.083) 17.573 34.033 ( -16.171 -1.622 -9.682) 18.917 35.536 ( 10.162 5.705 -34.163) 36.096 36.145 ( 16.239 -7.573 -35.578) 39.835 37.624 ( -7.040 8.314 16.140) 19.473 38.294 ( -20.734 6.715 -2.464) 21.933 39.007 ( -5.757 -26.675 15.585) 31.426 39.314 ( -25.597 -21.998 6.131) 34.303 40.084 ( -5.991 5.428 10.384) 13.160 40.466 ( -7.321 6.666 2.187) 10.140 40.485 ( -5.865 5.501 1.591) 8.197 40.953 ( -3.809 9.334 -7.674) 12.669 41.187 ( -6.973 0.396 -6.190) 9.332 41.289 ( -2.284 -2.421 -6.035) 6.892 41.379 ( -7.195 10.495 -7.859) 14.955 42.045 ( -9.646 -2.791 -16.886) 19.646 ======================= Grid point 179 (64/108) ======================= q-point: ( 0.27 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.477 ( 19.561 2.416 15.533) 25.095 3.656 ( 11.002 -3.796 13.979) 18.189 3.885 ( 19.405 -6.574 22.393) 30.352 4.138 ( 9.635 -12.332 -1.691) 15.741 4.583 ( -5.174 3.492 -6.819) 9.245 4.722 ( -2.957 -2.854 -6.932) 8.058 4.864 ( -9.338 3.764 5.290) 11.373 5.088 ( -0.590 8.316 -11.803) 14.450 5.238 ( -10.567 5.609 -0.037) 11.963 5.306 ( -4.783 -6.692 3.537) 8.954 5.674 ( -3.334 -7.562 -9.912) 12.905 5.790 ( -7.514 12.668 -2.510) 14.941 6.154 ( 4.847 -8.132 -6.036) 11.228 6.243 ( 6.176 19.324 17.208) 26.602 6.521 ( 0.806 8.859 0.554) 8.913 6.961 ( -18.623 -7.158 -3.729) 20.297 7.447 ( 12.479 -7.354 1.861) 14.603 8.017 ( 9.430 -13.615 13.445) 21.332 8.275 ( -2.510 4.736 1.679) 5.617 8.734 ( -0.716 5.969 2.681) 6.583 8.899 ( -6.970 1.884 -4.060) 8.283 9.100 ( -0.992 -6.011 2.932) 6.761 9.223 ( -8.006 0.055 -14.019) 16.144 9.277 ( -4.227 0.285 -3.059) 5.225 14.298 ( 66.883 3.014 2.658) 67.004 14.973 ( 70.876 -12.823 -4.367) 72.159 15.477 ( 35.754 11.415 -25.696) 45.486 16.012 ( 42.030 -1.880 -26.352) 49.643 18.273 ( -7.277 1.374 20.779) 22.059 18.356 ( -18.558 -0.361 17.977) 25.840 19.063 ( -8.802 -3.547 14.065) 16.967 19.250 ( -19.369 -6.908 10.871) 23.261 21.915 ( 38.139 3.046 71.805) 81.362 22.024 ( 36.517 -0.091 59.099) 69.470 23.120 ( 15.726 7.119 16.175) 23.656 23.386 ( 5.567 -1.570 11.100) 12.517 23.659 ( 12.100 10.829 -7.061) 17.707 24.310 ( 13.928 -1.735 -15.311) 20.771 24.466 ( 55.902 1.550 -8.408) 56.552 24.590 ( 56.888 -4.404 1.962) 57.091 25.555 ( 55.524 0.156 30.387) 63.296 25.714 ( 48.278 -3.038 31.983) 57.991 26.497 ( 5.241 17.777 25.415) 31.455 26.962 ( 12.409 -0.509 13.868) 18.616 27.308 ( 14.924 1.793 3.246) 15.378 27.472 ( 7.464 -5.621 -11.419) 14.755 28.621 ( 12.821 0.317 -1.490) 12.912 28.820 ( 8.553 4.185 -11.306) 14.781 29.216 ( -4.284 3.230 59.660) 59.900 29.842 ( -4.614 -9.657 47.719) 48.905 30.720 ( -5.225 -1.427 16.367) 17.240 30.991 ( -1.711 -2.496 1.790) 3.516 31.062 ( 10.078 1.127 11.529) 15.354 31.706 ( 22.854 -12.198 6.802) 26.784 32.333 ( 10.154 13.161 -5.142) 17.400 33.223 ( 1.709 -5.159 -10.200) 11.557 33.608 ( -14.257 -3.101 -4.273) 15.203 33.650 ( -8.673 -2.701 -4.339) 10.067 35.770 ( 13.818 6.833 -30.212) 33.917 36.523 ( 22.275 -9.600 -31.903) 40.077 37.455 ( -10.753 8.398 11.018) 17.537 37.783 ( -31.724 7.810 -1.009) 32.687 38.688 ( -34.502 -19.657 13.277) 41.869 38.907 ( -9.241 -24.626 8.247) 27.566 39.952 ( -7.387 6.788 11.180) 15.021 40.193 ( -16.735 20.000 0.218) 26.079 40.441 ( -1.657 -4.940 4.844) 7.114 40.906 ( -1.163 9.516 -9.731) 13.661 41.013 ( -10.432 -3.980 -1.848) 11.317 41.205 ( -7.044 7.802 -8.297) 13.392 41.306 ( 0.105 -0.973 -9.632) 9.682 41.842 ( -10.822 -3.202 -15.746) 19.373 ======================= Grid point 180 (65/108) ======================= q-point: ( 0.36 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( 15.484 0.021 7.196) 17.074 3.878 ( 15.755 0.689 7.965) 17.668 4.255 ( 8.074 -8.426 2.521) 11.939 4.335 ( 16.088 -8.291 12.615) 22.061 4.525 ( -0.073 1.535 -5.010) 5.241 4.643 ( -9.872 4.244 5.016) 11.858 4.678 ( -1.844 -2.089 -1.272) 3.063 4.988 ( -10.961 2.046 -5.220) 12.312 5.083 ( -9.086 9.366 -9.911) 16.386 5.209 ( -0.797 -10.809 0.374) 10.845 5.488 ( -12.098 -10.511 -11.150) 19.523 5.725 ( 1.889 13.156 -8.144) 15.587 6.123 ( -10.817 -6.294 -2.766) 12.816 6.335 ( -4.391 3.865 -8.825) 10.588 6.619 ( 7.445 7.078 -0.693) 10.296 6.778 ( 7.569 10.375 9.576) 16.020 7.655 ( 7.416 -13.918 -6.649) 17.115 8.012 ( -6.612 10.289 2.879) 12.565 8.351 ( 5.109 -6.994 11.535) 14.425 8.627 ( -2.643 6.823 0.558) 7.338 8.866 ( -3.789 -2.712 0.809) 4.729 9.020 ( -2.276 0.855 -0.862) 2.580 9.093 ( -5.549 -3.962 3.673) 7.745 9.221 ( -2.894 -0.987 4.872) 5.752 15.524 ( 58.060 3.713 -1.078) 58.188 15.934 ( 37.144 5.887 -7.402) 38.329 16.442 ( 53.636 -4.111 -12.171) 55.153 16.768 ( 34.105 0.401 -13.211) 36.577 17.943 ( -21.011 -1.351 10.768) 23.648 18.049 ( -16.079 1.042 10.901) 19.454 18.782 ( -21.733 -6.321 5.597) 23.315 18.838 ( -21.611 -6.517 5.084) 23.138 22.533 ( 25.995 1.637 58.426) 63.968 22.638 ( 26.500 0.176 59.041) 64.716 23.345 ( 2.986 5.470 26.353) 27.080 23.418 ( -1.753 0.680 28.783) 28.845 23.870 ( 15.011 12.544 -1.662) 19.633 24.529 ( 10.778 -0.912 -9.229) 14.219 24.844 ( -5.439 -1.946 10.727) 12.184 24.933 ( 8.509 3.795 -1.639) 9.460 26.583 ( 7.524 13.003 24.408) 28.661 26.775 ( 21.285 -1.563 15.353) 26.291 27.271 ( 53.569 0.364 3.853) 53.709 27.543 ( 19.851 -10.094 -1.395) 22.314 27.761 ( 71.237 -3.527 20.622) 74.246 27.811 ( 58.501 1.170 11.569) 59.646 28.825 ( 8.865 1.275 15.258) 17.692 28.899 ( 3.152 5.246 12.525) 13.941 29.188 ( 0.203 2.287 49.662) 49.715 29.749 ( -3.972 -8.964 42.776) 43.885 30.569 ( -9.315 0.247 4.500) 10.348 30.974 ( 2.944 -0.028 -5.813) 6.516 31.138 ( -2.779 -3.303 -0.239) 4.323 31.696 ( -10.989 -10.200 -15.290) 21.414 32.743 ( -37.181 1.641 -7.415) 37.949 32.849 ( -20.872 1.125 -6.270) 21.822 33.355 ( 44.483 9.437 12.191) 47.079 34.354 ( 55.763 -11.276 -0.202) 56.892 36.056 ( 14.939 7.963 -24.262) 29.584 36.823 ( -20.324 -1.762 -13.181) 24.288 37.173 ( 2.056 -3.048 -9.388) 10.082 37.265 ( -13.647 9.267 0.258) 16.498 37.913 ( -44.156 -13.195 9.099) 46.975 38.689 ( -15.454 -29.013 2.595) 32.974 39.806 ( -7.569 10.454 11.763) 17.463 39.880 ( -13.503 21.341 5.161) 25.776 40.425 ( 0.311 -5.884 5.474) 8.043 40.794 ( -11.480 -6.382 2.280) 13.332 40.904 ( 0.704 8.723 -11.461) 14.420 41.080 ( -5.500 9.025 -11.375) 15.527 41.327 ( 1.863 -2.649 -10.525) 11.012 41.642 ( -9.474 -3.235 -14.590) 17.694 ======================= Grid point 181 (66/108) ======================= q-point: ( 0.45 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.120 ( 15.011 0.950 5.428) 15.990 4.195 ( 11.783 0.994 2.480) 12.083 4.322 ( 2.094 -2.074 -1.037) 3.124 4.415 ( -6.442 0.309 2.734) 7.005 4.483 ( -5.240 2.341 -0.249) 5.744 4.588 ( -0.431 -0.989 -0.144) 1.088 4.666 ( 0.483 2.223 -0.820) 2.418 4.809 ( -13.511 6.095 -7.190) 16.474 4.967 ( 10.552 -8.470 -0.567) 13.543 5.229 ( -13.784 -10.773 -4.973) 18.188 5.357 ( 15.466 -15.601 1.419) 22.014 5.741 ( -18.760 -12.836 2.992) 22.928 5.901 ( 8.191 13.179 -16.555) 22.690 6.135 ( -12.702 13.786 -16.864) 25.215 6.843 ( 12.339 0.784 -7.720) 14.576 6.956 ( 3.248 7.412 4.709) 9.363 7.729 ( 3.224 -5.751 -4.166) 7.799 7.860 ( -8.797 6.573 4.254) 11.776 8.427 ( 6.733 8.175 1.161) 10.654 8.602 ( -8.054 3.874 -0.325) 8.943 8.814 ( 5.823 -6.766 7.309) 11.537 8.967 ( -7.660 -7.096 9.212) 13.925 9.067 ( 4.323 0.401 8.249) 9.321 9.151 ( -4.179 -0.853 7.557) 8.677 16.464 ( 37.268 4.750 0.198) 37.570 16.669 ( 39.310 9.424 -2.065) 40.477 16.982 ( -10.147 7.235 2.448) 12.701 17.243 ( -1.047 5.072 -4.862) 7.104 17.690 ( 11.237 -9.657 2.862) 15.090 17.926 ( 14.383 -7.068 -2.997) 16.303 18.256 ( -30.530 -9.473 0.452) 31.969 18.392 ( -25.456 -6.174 -1.025) 26.214 22.952 ( 17.736 0.969 43.280) 46.783 23.060 ( 17.474 1.698 48.252) 51.346 23.232 ( -11.218 1.654 34.195) 36.026 23.323 ( -9.381 3.134 36.214) 37.540 24.218 ( 18.601 9.748 10.990) 23.702 24.536 ( -12.656 3.417 12.669) 18.230 24.858 ( 9.387 3.391 -1.117) 10.043 24.992 ( -2.438 3.825 -0.083) 4.536 26.721 ( 7.363 7.911 21.833) 24.361 26.849 ( -4.479 1.836 17.051) 17.725 27.624 ( 6.808 -8.006 4.310) 11.358 27.676 ( 1.684 -11.834 4.107) 12.639 28.873 ( 10.640 2.982 36.288) 37.933 28.945 ( 4.712 -1.392 34.577) 34.924 28.994 ( 24.855 5.523 21.499) 33.324 29.114 ( 3.175 1.949 32.150) 32.365 29.690 ( 74.512 -0.172 1.804) 74.534 29.878 ( 25.848 -6.976 19.649) 33.209 30.350 ( -14.933 0.233 1.464) 15.007 30.853 ( -32.410 -6.466 -10.069) 34.549 31.228 ( 25.990 1.483 -3.778) 26.305 31.575 ( 3.125 -5.494 -10.996) 12.683 31.947 ( -36.784 -0.094 -4.230) 37.026 32.032 ( -49.078 -1.183 -2.694) 49.166 34.609 ( 68.906 9.221 6.873) 69.859 35.502 ( 57.910 -9.137 -0.481) 58.629 35.874 ( -59.359 7.072 1.789) 59.805 36.251 ( -6.285 5.089 -13.229) 15.505 36.975 ( -13.185 7.532 -4.496) 15.836 37.063 ( -31.535 -6.908 2.962) 32.419 37.689 ( 30.561 -16.416 -18.042) 39.102 38.270 ( -27.329 -24.283 -9.348) 37.735 39.689 ( -2.709 17.143 11.770) 20.970 39.714 ( -4.716 14.505 12.099) 19.468 40.466 ( 4.184 -6.616 5.472) 9.551 40.592 ( -8.788 -6.941 4.478) 12.060 40.933 ( 2.267 8.417 -12.361) 15.126 40.991 ( -3.784 8.464 -12.449) 15.523 41.382 ( 3.937 -2.890 -11.843) 12.810 41.484 ( -6.735 -3.066 -13.277) 15.200 ======================= Grid point 187 (67/108) ======================= q-point: ( 0.00 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.000 ( 0.000 17.246 27.495) 32.456 3.014 ( 0.000 10.030 27.719) 29.478 3.329 ( 0.000 -15.432 15.559) 21.914 3.403 ( 0.000 -15.989 23.192) 28.169 4.840 ( 0.000 9.234 -14.895) 17.525 4.969 ( 0.000 -2.983 -14.990) 15.284 5.047 ( 0.000 10.822 -15.373) 18.800 5.177 ( 0.000 4.055 5.966) 7.214 5.558 ( 0.000 -1.871 -1.132) 2.187 5.575 ( 0.000 -6.601 -2.386) 7.019 5.839 ( 0.000 1.951 17.848) 17.955 5.841 ( 0.000 1.708 4.602) 4.908 6.178 ( 0.000 0.190 12.826) 12.827 6.217 ( 0.000 -3.701 1.181) 3.885 6.463 ( 0.000 9.166 26.673) 28.204 6.840 ( 0.000 -23.770 32.200) 40.023 7.245 ( 0.000 13.353 6.866) 15.015 7.562 ( 0.000 -15.624 2.547) 15.830 8.580 ( 0.000 6.184 -8.105) 10.195 8.654 ( 0.000 0.457 -11.775) 11.784 9.133 ( 0.000 12.337 -6.616) 13.999 9.352 ( 0.000 -7.916 -11.875) 14.272 9.382 ( 0.000 7.205 -14.359) 16.065 9.534 ( 0.000 -6.255 -22.533) 23.385 10.863 ( 0.000 21.800 30.300) 37.327 11.372 ( 0.000 -23.181 28.548) 36.775 14.331 ( 0.000 10.894 -52.746) 53.859 14.531 ( 0.000 -6.573 -47.134) 47.590 18.114 ( 0.000 4.782 49.009) 49.242 18.269 ( 0.000 -9.401 51.449) 52.301 19.447 ( 0.000 0.013 18.785) 18.785 19.474 ( 0.000 -2.414 28.678) 28.779 20.082 ( 0.000 4.572 37.967) 38.241 20.187 ( 0.000 -4.652 48.321) 48.544 20.565 ( 0.000 9.454 13.552) 16.524 20.736 ( 0.000 -6.021 16.201) 17.283 22.859 ( 0.000 5.768 4.603) 7.379 22.974 ( 0.000 -4.971 -1.225) 5.119 23.807 ( 0.000 6.382 -16.776) 17.949 23.882 ( 0.000 0.469 -22.494) 22.499 25.355 ( 0.000 -4.583 19.137) 19.678 25.360 ( 0.000 -4.415 20.105) 20.584 26.770 ( 0.000 11.336 17.034) 20.461 26.827 ( 0.000 5.485 14.760) 15.746 27.034 ( 0.000 8.247 -11.757) 14.361 27.228 ( 0.000 -9.981 -14.342) 17.474 27.708 ( 0.000 18.487 5.354) 19.247 28.061 ( 0.000 -12.478 -1.198) 12.535 29.622 ( 0.000 4.791 34.713) 35.043 29.779 ( 0.000 -9.737 39.939) 41.109 30.211 ( 0.000 1.246 51.410) 51.425 30.251 ( 0.000 -2.097 50.659) 50.702 31.151 ( 0.000 4.764 -3.458) 5.887 31.275 ( 0.000 -6.173 6.999) 9.332 32.812 ( 0.000 6.061 -11.439) 12.946 32.996 ( 0.000 -10.258 -2.542) 10.568 34.217 ( 0.000 3.172 -11.146) 11.588 34.286 ( 0.000 -2.962 -10.360) 10.775 35.470 ( 0.000 7.876 -37.433) 38.252 35.653 ( 0.000 -8.584 -38.155) 39.109 38.037 ( 0.000 17.402 20.849) 27.157 38.527 ( 0.000 -27.220 19.297) 33.367 38.896 ( 0.000 12.897 -2.776) 13.192 39.255 ( 0.000 -20.673 -0.566) 20.681 40.328 ( 0.000 5.789 7.719) 9.648 40.441 ( 0.000 -4.348 5.360) 6.902 40.931 ( 0.000 11.182 -2.586) 11.477 41.128 ( 0.000 -6.982 -6.725) 9.694 41.203 ( 0.000 6.170 -0.971) 6.246 41.346 ( 0.000 -6.483 1.997) 6.784 41.980 ( 0.000 13.301 -20.368) 24.327 42.178 ( 0.000 -5.709 -19.317) 20.143 ======================= Grid point 188 (68/108) ======================= q-point: ( 0.09 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 6.009 12.164 26.002) 29.329 3.160 ( 10.845 9.733 25.320) 29.214 3.353 ( 3.492 -13.073 17.986) 22.508 3.488 ( 7.568 -14.306 18.843) 24.839 4.828 ( -1.628 5.579 -13.582) 14.773 4.880 ( -6.243 1.199 -14.521) 15.851 5.090 ( 1.763 7.683 -12.330) 14.635 5.214 ( 3.141 1.285 1.777) 3.831 5.521 ( -3.318 -0.246 1.256) 3.556 5.537 ( -4.542 -2.628 1.504) 5.459 5.724 ( -6.101 3.380 9.171) 11.521 5.817 ( -3.287 -4.614 6.226) 8.418 6.232 ( 6.733 7.484 0.592) 10.085 6.395 ( 10.605 -6.177 2.228) 12.474 6.487 ( 3.740 13.096 29.881) 32.838 6.931 ( 9.058 -24.516 33.201) 42.254 7.177 ( -5.927 10.510 4.104) 12.745 7.454 ( -10.421 -13.923 1.269) 17.437 8.590 ( 0.342 6.485 -8.511) 10.706 8.675 ( 2.247 -0.345 -7.415) 7.756 9.091 ( -3.312 8.681 -4.102) 10.156 9.233 ( -6.917 -3.631 -9.013) 11.927 9.403 ( -1.754 2.492 -14.445) 14.763 9.494 ( -4.140 -4.734 -21.664) 22.558 11.566 ( 64.868 12.682 20.848) 69.306 11.891 ( 50.274 -15.891 22.516) 57.332 14.568 ( 22.820 7.669 -49.348) 54.907 14.696 ( 16.663 -3.415 -44.358) 47.508 18.222 ( 9.068 4.918 44.346) 45.530 18.378 ( 8.858 -9.312 45.983) 47.745 19.365 ( -5.467 5.602 24.111) 25.349 19.522 ( -1.973 -8.896 24.311) 25.963 20.480 ( 35.109 7.374 42.868) 55.899 20.620 ( 31.041 -4.931 40.703) 51.426 20.940 ( 51.944 8.783 19.623) 56.217 21.125 ( 46.575 -7.338 18.333) 50.588 22.901 ( 4.556 6.452 4.942) 9.317 23.025 ( 5.249 -5.132 0.250) 7.345 23.844 ( 3.730 7.174 -16.697) 18.552 23.940 ( 5.643 -0.787 -21.751) 22.485 25.288 ( -5.091 -1.931 19.303) 20.056 25.338 ( -2.669 -6.379 21.011) 22.120 26.785 ( 1.527 11.850 17.026) 20.800 26.843 ( 1.820 6.573 15.003) 16.481 27.067 ( 3.396 6.664 -9.968) 12.462 27.217 ( 0.052 -7.151 -12.437) 14.347 27.929 ( 19.779 12.081 -1.156) 23.205 28.197 ( 13.259 -10.117 -2.846) 16.919 29.570 ( -4.791 5.444 37.649) 38.342 29.741 ( -3.372 -10.276 41.412) 42.801 30.333 ( 12.123 0.681 50.490) 51.929 30.364 ( 11.212 -1.899 49.007) 50.309 31.131 ( -1.775 4.493 -4.964) 6.927 31.245 ( -2.807 -5.537 5.965) 8.609 32.738 ( -7.093 6.301 -11.099) 14.601 32.931 ( -6.008 -10.737 -2.434) 12.542 34.147 ( -7.332 3.019 -11.036) 13.589 34.212 ( -7.640 -2.833 -10.424) 13.231 35.531 ( 6.280 8.349 -36.582) 38.045 35.727 ( 7.473 -9.152 -37.200) 39.031 38.001 ( -3.572 17.364 20.107) 26.806 38.486 ( -4.147 -26.620 19.093) 33.020 38.808 ( -9.153 12.568 -2.165) 15.698 39.161 ( -9.804 -19.967 -0.004) 22.245 40.301 ( -2.708 6.139 7.774) 10.269 40.422 ( -1.898 -4.725 5.487) 7.486 40.912 ( -2.390 12.076 -1.777) 12.438 41.122 ( -1.078 -6.534 -6.577) 9.334 41.169 ( -2.957 4.862 -1.838) 5.980 41.298 ( -4.643 -6.025 0.870) 7.656 41.895 ( -8.107 14.007 -18.945) 24.917 42.110 ( -6.707 -6.414 -18.614) 20.799 ======================= Grid point 189 (69/108) ======================= q-point: ( 0.18 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( 13.625 6.908 21.681) 26.522 3.374 ( 10.209 -1.879 17.760) 20.571 3.497 ( 11.961 -1.463 20.700) 23.952 3.670 ( 10.858 -11.694 12.889) 20.513 4.750 ( -6.569 0.956 -10.889) 12.753 4.764 ( -5.227 0.022 -10.262) 11.516 5.104 ( -1.162 8.818 -4.754) 10.085 5.248 ( -1.305 -3.756 2.542) 4.719 5.362 ( -8.412 5.860 1.062) 10.307 5.484 ( -3.278 -3.114 -4.287) 6.231 5.631 ( -3.643 4.082 -3.002) 6.241 5.799 ( 1.018 -8.091 2.505) 8.531 6.309 ( -1.668 12.230 -6.417) 13.912 6.510 ( 2.947 2.319 3.249) 4.962 6.642 ( 9.425 15.643 26.205) 31.942 7.069 ( -5.108 2.070 -4.761) 7.283 7.173 ( 10.939 -20.800 27.663) 36.298 7.245 ( -2.602 -15.163 5.639) 16.385 8.574 ( -2.151 9.139 -5.899) 11.089 8.722 ( 1.921 -3.225 -1.178) 3.935 9.034 ( -2.574 2.794 -0.666) 3.857 9.098 ( -7.011 -2.413 -5.750) 9.384 9.336 ( -4.534 1.656 -11.742) 12.696 9.384 ( -6.702 -2.492 -17.788) 19.172 13.005 ( 75.764 4.869 9.749) 76.543 13.173 ( 78.277 -9.957 9.371) 79.462 15.096 ( 29.191 6.394 -38.898) 49.051 15.190 ( 34.314 -2.170 -38.492) 51.612 18.362 ( 3.257 4.307 32.722) 33.165 18.487 ( -0.111 -6.908 32.443) 33.171 19.226 ( -8.905 5.410 20.060) 22.605 19.384 ( -11.567 -8.660 18.878) 23.773 21.211 ( 40.180 4.198 57.704) 70.440 21.270 ( 38.197 -1.185 52.205) 64.698 22.513 ( 97.934 3.584 15.580) 99.230 22.603 ( 95.821 -4.080 13.352) 96.833 23.059 ( 14.312 6.621 8.518) 17.923 23.173 ( 10.054 -4.332 5.742) 12.362 23.952 ( 7.987 8.493 -15.332) 19.261 24.086 ( 9.180 -3.370 -19.593) 21.898 25.216 ( 0.047 0.602 19.810) 19.819 25.296 ( 0.286 -6.813 22.937) 23.929 26.827 ( 2.629 13.322 17.052) 21.799 26.906 ( 4.833 7.105 16.010) 18.170 27.158 ( 5.650 1.840 -4.696) 7.573 27.244 ( 2.707 -6.320 -11.814) 13.669 28.351 ( 21.130 6.757 -3.909) 22.526 28.520 ( 18.135 -6.537 -6.073) 20.211 29.458 ( -6.378 7.217 44.344) 45.378 29.665 ( -4.254 -11.670 43.803) 45.530 30.631 ( 14.445 -0.035 42.881) 45.248 30.661 ( 18.245 -2.119 40.154) 44.156 31.107 ( 0.172 4.240 -6.915) 8.113 31.214 ( 3.069 -4.876 3.412) 6.696 32.582 ( -6.844 8.671 -9.441) 14.531 32.827 ( -1.846 -12.944 -2.561) 13.324 33.930 ( -15.224 2.570 -10.028) 18.410 33.986 ( -15.811 -2.510 -9.925) 18.836 35.707 ( 11.719 9.724 -34.173) 37.413 35.937 ( 14.009 -10.808 -34.661) 38.916 37.901 ( -6.777 17.300 17.585) 25.582 38.364 ( -9.237 -21.721 16.256) 28.659 38.543 ( -17.715 8.487 0.881) 19.663 38.874 ( -19.766 -18.389 1.005) 27.016 40.228 ( -4.635 7.145 8.060) 11.726 40.371 ( -3.170 -5.733 5.846) 8.780 40.812 ( -8.591 13.945 0.481) 16.386 41.056 ( -6.438 -6.279 -3.909) 9.806 41.110 ( -3.343 2.559 -2.543) 4.918 41.210 ( -2.469 -4.502 -5.705) 7.676 41.702 ( -10.874 14.202 -16.389) 24.260 41.938 ( -10.508 -7.548 -17.110) 21.451 ======================= Grid point 190 (70/108) ======================= q-point: ( 0.27 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.533 ( 17.813 2.183 14.776) 23.246 3.582 ( 12.269 -2.673 12.939) 18.030 3.786 ( 16.772 -0.110 18.527) 24.991 3.898 ( 12.387 -9.072 6.723) 16.761 4.627 ( -5.403 1.455 -6.685) 8.718 4.665 ( -4.300 -2.165 -6.800) 8.332 4.981 ( -10.603 6.524 6.089) 13.859 5.128 ( -8.579 -6.416 6.158) 12.356 5.290 ( -4.034 6.532 -12.846) 14.965 5.392 ( -5.116 1.939 -4.318) 6.970 5.561 ( -5.482 3.735 -8.811) 11.029 5.824 ( 0.810 -13.756 -2.212) 13.956 6.163 ( -9.766 14.860 -9.014) 19.936 6.466 ( -7.404 -8.665 -6.295) 13.020 6.825 ( 4.009 19.441 9.448) 21.983 6.951 ( 0.393 8.786 -0.755) 8.827 7.260 ( 8.762 -6.285 1.548) 10.893 7.559 ( 20.114 -24.367 27.700) 42.019 8.505 ( -4.863 12.352 0.017) 13.275 8.735 ( -0.828 -6.980 3.240) 7.740 8.951 ( -6.228 2.783 -2.138) 7.148 9.001 ( -2.358 -2.346 2.052) 3.908 9.231 ( -6.597 0.838 -11.187) 13.014 9.260 ( -5.499 -1.506 -7.228) 9.206 14.427 ( 70.268 9.068 3.538) 70.939 14.679 ( 72.684 -13.440 1.664) 73.934 15.727 ( 36.231 10.907 -28.587) 47.422 15.923 ( 39.793 -6.669 -28.164) 49.205 18.312 ( -8.620 1.922 21.860) 23.576 18.344 ( -13.955 -0.893 21.035) 25.259 19.012 ( -13.663 0.135 12.070) 18.231 19.090 ( -18.560 -6.563 11.308) 22.703 21.980 ( 36.682 2.481 66.766) 76.220 22.016 ( 36.229 -0.874 62.106) 71.906 23.277 ( 13.966 6.007 18.267) 23.765 23.359 ( 8.897 -1.811 17.337) 19.570 23.932 ( 18.493 13.436 -6.844) 23.862 24.194 ( 19.982 -9.530 -10.927) 24.688 24.480 ( 50.372 0.998 -6.991) 50.865 24.522 ( 48.443 -2.205 -6.257) 48.895 25.583 ( 57.961 2.240 25.758) 63.467 25.645 ( 57.308 -3.240 26.922) 63.399 26.882 ( 2.933 14.747 16.953) 22.660 27.039 ( 9.856 4.974 19.682) 22.567 27.255 ( 3.667 -5.175 -3.150) 7.082 27.338 ( 7.795 -5.762 -2.252) 9.951 28.691 ( 13.663 5.714 5.756) 15.889 28.824 ( 11.999 -4.397 -1.995) 12.934 29.336 ( -5.846 8.455 51.873) 52.882 29.578 ( -4.740 -13.022 45.417) 47.484 30.741 ( -1.968 3.980 14.610) 15.269 30.873 ( 1.650 -7.044 11.902) 13.928 31.181 ( 5.759 9.191 1.009) 10.893 31.428 ( 10.471 -12.780 0.413) 16.527 32.655 ( 21.090 16.133 -1.376) 26.589 33.002 ( 20.027 -14.547 -4.082) 25.087 33.569 ( -19.626 0.202 -5.012) 20.257 33.599 ( -22.146 -2.083 -6.576) 23.195 35.978 ( 15.912 11.873 -30.221) 36.158 36.261 ( 19.066 -13.461 -30.751) 38.605 37.726 ( -12.504 16.457 12.743) 24.281 38.015 ( -26.975 9.979 2.138) 28.841 38.200 ( -20.131 -18.648 12.463) 30.139 38.428 ( -22.879 -19.694 1.800) 30.241 40.130 ( -5.182 8.791 8.661) 13.384 40.307 ( -3.166 -7.136 6.370) 10.076 40.585 ( -13.989 15.342 1.995) 20.858 40.859 ( -12.588 -9.829 1.489) 16.040 41.076 ( -0.371 6.488 -7.843) 10.185 41.200 ( 0.605 -4.790 -8.939) 10.160 41.497 ( -9.890 12.671 -14.706) 21.787 41.725 ( -10.941 -7.880 -15.730) 20.717 ======================= Grid point 191 (71/108) ======================= q-point: ( 0.36 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.856 ( 16.016 2.213 8.243) 18.148 3.899 ( 19.284 0.092 7.755) 20.785 4.095 ( 12.139 -3.912 8.183) 15.153 4.148 ( 14.581 -7.193 8.246) 18.230 4.564 ( -1.250 1.983 -4.781) 5.325 4.615 ( -0.974 -2.798 -5.003) 5.814 4.781 ( -7.649 7.984 5.515) 12.356 4.978 ( -5.180 -9.830 3.407) 11.622 5.095 ( -13.853 6.660 -4.850) 16.118 5.265 ( -11.410 -8.177 -6.651) 15.534 5.355 ( -14.841 14.212 -6.160) 21.452 5.725 ( -13.631 -18.265 0.779) 22.804 6.090 ( 4.057 15.794 -14.936) 22.113 6.403 ( 4.830 -10.102 -14.542) 18.353 6.748 ( -7.439 14.033 -17.486) 23.623 7.012 ( -1.171 -3.016 -6.427) 7.195 7.524 ( 17.560 10.945 14.611) 25.331 7.940 ( 18.435 -19.486 22.068) 34.735 8.384 ( -7.847 14.008 6.459) 17.306 8.677 ( -5.399 -10.360 6.369) 13.306 8.855 ( -2.930 7.016 0.688) 7.635 8.977 ( -0.023 -3.340 5.180) 6.163 9.095 ( -7.034 2.282 -5.704) 9.339 9.165 ( -4.571 -3.624 -0.616) 5.866 15.677 ( 57.692 10.060 1.226) 58.575 15.908 ( 53.679 -8.853 1.344) 54.421 16.494 ( 42.231 9.098 -18.966) 47.180 16.699 ( 39.498 -7.262 -17.306) 43.730 17.970 ( -23.351 3.568 13.572) 27.243 18.044 ( -19.000 -1.967 13.515) 23.399 18.655 ( -24.752 -3.177 3.483) 25.197 18.690 ( -21.494 -5.672 3.671) 22.531 22.580 ( 25.540 2.400 56.534) 62.082 22.625 ( 26.453 -1.471 58.963) 64.642 23.433 ( -1.949 2.231 31.363) 31.503 23.449 ( 1.390 1.100 33.183) 33.230 24.200 ( 15.531 15.954 -3.997) 22.621 24.473 ( 15.202 -7.190 -8.893) 19.023 24.824 ( 1.464 2.956 2.197) 3.963 24.939 ( 7.441 -4.189 -3.675) 9.296 26.856 ( 24.365 9.653 12.350) 28.972 26.939 ( 3.575 16.963 18.768) 25.549 27.132 ( 39.671 -11.463 5.873) 41.709 27.298 ( 3.984 -13.305 5.608) 14.978 27.739 ( 80.366 2.108 19.361) 82.692 27.800 ( 69.035 -2.263 14.991) 70.680 28.893 ( 7.866 4.888 21.005) 22.956 28.981 ( 4.948 -0.525 11.056) 12.124 29.255 ( -1.193 6.501 51.971) 52.390 29.491 ( -3.230 -13.252 43.787) 45.863 30.650 ( -6.642 7.637 0.556) 10.136 30.859 ( -2.089 -9.816 -2.739) 10.403 31.193 ( -2.595 8.470 -6.533) 11.007 31.435 ( -5.378 -12.655 -11.358) 17.835 32.791 ( -36.733 2.538 -7.866) 37.651 32.840 ( -33.761 -1.671 -8.061) 34.750 33.648 ( 54.122 16.641 8.727) 57.291 34.030 ( 55.943 -17.436 3.868) 58.725 36.300 ( 15.752 13.956 -24.025) 31.939 36.625 ( 13.154 -14.610 -23.426) 30.582 37.256 ( -32.458 10.852 3.063) 34.360 37.546 ( -29.385 -4.177 5.811) 30.244 37.614 ( -26.719 7.066 2.465) 27.747 38.087 ( -16.070 -25.739 1.928) 30.404 40.041 ( -3.622 11.133 9.289) 14.945 40.259 ( -2.023 -6.777 6.691) 9.735 40.310 ( -12.802 14.572 4.429) 19.896 40.606 ( -12.708 -11.056 3.521) 17.208 41.085 ( 1.209 7.576 -10.038) 12.634 41.222 ( 1.522 -4.061 -10.601) 11.454 41.329 ( -7.204 9.685 -13.691) 18.252 41.529 ( -9.074 -7.387 -14.598) 18.708 ======================= Grid point 192 (72/108) ======================= q-point: ( 0.45 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.164 ( 13.919 3.083 4.988) 15.103 4.236 ( 11.812 0.390 3.408) 12.300 4.253 ( 5.453 -0.810 2.133) 5.912 4.352 ( 1.251 -5.512 5.760) 8.070 4.543 ( 1.718 4.215 -4.507) 6.406 4.622 ( 4.341 -0.751 -3.310) 5.510 4.767 ( -5.423 6.957 -1.567) 8.959 4.826 ( -2.729 0.620 -0.113) 2.801 4.946 ( -14.379 -1.793 -5.461) 15.485 5.032 ( 9.699 -12.136 2.647) 15.759 5.084 ( -12.467 4.074 1.853) 13.246 5.365 ( -20.414 -17.127 2.666) 26.780 6.272 ( 12.408 18.104 -19.764) 29.535 6.496 ( -6.907 15.352 -20.122) 26.235 6.666 ( 8.272 -11.924 -18.458) 23.480 6.888 ( -10.521 -13.701 -16.213) 23.691 7.873 ( 17.183 17.543 15.381) 28.976 8.153 ( -8.891 15.180 12.128) 21.367 8.295 ( 10.785 -14.646 15.766) 24.070 8.524 ( -10.254 -13.246 10.770) 19.915 8.856 ( 2.926 8.501 1.834) 9.176 8.948 ( -5.625 4.942 0.905) 7.542 9.018 ( 1.902 -4.619 4.275) 6.575 9.081 ( -3.970 -5.236 3.395) 7.396 16.637 ( 41.285 10.085 3.560) 42.648 16.798 ( 39.331 -1.218 4.054) 39.558 17.184 ( 6.563 10.377 -0.648) 12.295 17.327 ( 10.192 0.130 -1.528) 10.307 17.547 ( -3.817 -0.169 -0.204) 3.826 17.707 ( 2.725 -11.495 -1.955) 11.974 18.099 ( -31.945 -1.882 -3.878) 32.234 18.205 ( -28.618 -9.261 -3.750) 30.312 22.997 ( 18.072 2.877 45.600) 49.135 23.056 ( 18.488 -1.931 48.749) 52.173 23.289 ( -11.844 3.172 38.739) 40.633 23.345 ( -11.029 -1.305 40.136) 41.644 24.513 ( 14.899 15.494 2.342) 21.623 24.711 ( -0.720 9.238 0.179) 9.268 24.818 ( 6.781 -5.542 0.110) 8.759 24.972 ( -3.914 -6.977 -1.619) 8.162 26.984 ( 2.574 14.762 17.694) 23.186 27.013 ( 0.390 14.250 18.137) 23.068 27.343 ( 3.213 -16.935 11.202) 20.557 27.369 ( 1.166 -15.552 12.934) 20.261 28.954 ( 11.842 3.720 31.429) 33.791 28.984 ( 7.326 4.816 39.979) 40.929 29.060 ( 11.864 -2.311 25.701) 28.401 29.086 ( 9.183 -2.292 32.971) 34.302 29.693 ( 61.386 0.174 7.808) 61.881 29.732 ( 45.005 -4.540 12.896) 47.036 30.430 ( -19.705 7.805 -4.511) 21.669 30.653 ( -25.729 -11.092 -8.439) 29.261 31.294 ( 19.196 4.792 -7.233) 21.066 31.429 ( 9.907 -7.156 -9.993) 15.787 31.960 ( -42.952 1.280 -3.853) 43.144 31.996 ( -47.067 -1.886 -3.406) 47.228 34.881 ( 66.197 15.105 4.968) 68.080 35.225 ( 62.765 -15.440 2.370) 64.680 36.083 ( -54.522 11.326 0.990) 55.695 36.289 ( -37.389 -4.690 -4.658) 37.969 36.994 ( 1.198 5.632 -6.730) 8.857 37.258 ( -12.625 13.679 -6.402) 19.685 37.290 ( 16.394 -14.393 -13.246) 25.522 37.725 ( -21.498 -24.259 -6.606) 33.081 40.009 ( 0.861 13.987 9.178) 16.752 40.091 ( -7.785 16.325 7.379) 19.534 40.279 ( 3.090 -10.563 6.683) 12.875 40.394 ( -8.720 -11.456 5.502) 15.413 41.124 ( 2.847 8.488 -11.778) 14.794 41.197 ( -4.526 9.351 -13.091) 16.712 41.286 ( 3.220 -5.755 -11.886) 13.592 41.379 ( -6.269 -6.653 -13.354) 16.183 ======================= Grid point 220 (73/108) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 0.000 0.000 32.039) 32.039 3.589 ( 0.000 0.000 32.684) 32.684 3.948 ( 0.000 0.000 -2.292) 2.292 4.122 ( 0.000 0.000 -5.616) 5.616 4.257 ( 0.000 0.000 23.550) 23.550 4.409 ( 0.000 0.000 -21.692) 21.692 4.638 ( 0.000 0.000 -18.760) 18.760 5.207 ( 0.000 0.000 -12.654) 12.654 5.537 ( 0.000 0.000 -4.363) 4.363 5.573 ( 0.000 0.000 -5.095) 5.095 5.790 ( 0.000 0.000 10.040) 10.040 6.164 ( 0.000 0.000 -4.937) 4.937 6.292 ( 0.000 0.000 23.841) 23.841 6.725 ( 0.000 0.000 26.722) 26.722 6.912 ( 0.000 0.000 -3.728) 3.728 7.163 ( 0.000 0.000 39.303) 39.303 7.826 ( 0.000 0.000 -24.404) 24.404 8.088 ( 0.000 0.000 11.599) 11.599 8.201 ( 0.000 0.000 2.486) 2.486 8.384 ( 0.000 0.000 8.820) 8.820 8.744 ( 0.000 0.000 7.232) 7.232 8.970 ( 0.000 0.000 -38.778) 38.778 9.089 ( 0.000 0.000 -7.412) 7.412 9.138 ( 0.000 0.000 -20.770) 20.770 11.059 ( 0.000 0.000 37.515) 37.515 12.545 ( 0.000 0.000 30.641) 30.641 12.899 ( 0.000 0.000 -51.786) 51.786 13.885 ( 0.000 0.000 -34.154) 34.154 18.779 ( 0.000 0.000 27.861) 27.861 19.429 ( 0.000 0.000 28.315) 28.315 19.483 ( 0.000 0.000 -6.890) 6.890 20.098 ( 0.000 0.000 -5.979) 5.979 20.395 ( 0.000 0.000 27.705) 27.705 20.460 ( 0.000 0.000 15.379) 15.379 21.165 ( 0.000 0.000 26.456) 26.456 21.205 ( 0.000 0.000 15.522) 15.522 22.974 ( 0.000 0.000 13.093) 13.093 23.030 ( 0.000 0.000 -5.784) 5.784 23.229 ( 0.000 0.000 -14.735) 14.735 23.383 ( 0.000 0.000 -8.676) 8.676 26.075 ( 0.000 0.000 21.294) 21.294 26.202 ( 0.000 0.000 18.338) 18.338 26.492 ( 0.000 0.000 18.093) 18.093 26.602 ( 0.000 0.000 -5.812) 5.812 26.888 ( 0.000 0.000 11.919) 11.919 27.175 ( 0.000 0.000 0.796) 0.796 27.233 ( 0.000 0.000 -13.277) 13.277 27.755 ( 0.000 0.000 -24.994) 24.994 30.157 ( 0.000 0.000 22.844) 22.844 30.623 ( 0.000 0.000 -3.471) 3.471 31.134 ( 0.000 0.000 36.603) 36.603 31.516 ( 0.000 0.000 66.102) 66.102 31.688 ( 0.000 0.000 60.651) 60.651 32.045 ( 0.000 0.000 36.565) 36.565 32.266 ( 0.000 0.000 -17.313) 17.313 33.419 ( 0.000 0.000 9.837) 9.837 33.780 ( 0.000 0.000 -20.924) 20.924 34.109 ( 0.000 0.000 -15.085) 15.085 34.337 ( 0.000 0.000 -53.461) 53.461 34.870 ( 0.000 0.000 -58.868) 58.868 38.046 ( 0.000 0.000 15.725) 15.725 38.503 ( 0.000 0.000 -7.063) 7.063 39.648 ( 0.000 0.000 14.056) 14.056 40.346 ( 0.000 0.000 -17.053) 17.053 40.419 ( 0.000 0.000 0.884) 0.884 40.423 ( 0.000 0.000 14.479) 14.479 40.478 ( 0.000 0.000 -2.907) 2.907 40.855 ( 0.000 0.000 4.600) 4.600 41.041 ( 0.000 0.000 -13.608) 13.608 41.084 ( 0.000 0.000 -6.400) 6.400 41.579 ( 0.000 0.000 4.454) 4.454 41.938 ( 0.000 0.000 -14.143) 14.143 ======================= Grid point 221 (74/108) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 10.233 0.000 29.517) 31.241 3.688 ( 9.441 0.000 30.027) 31.476 3.957 ( 1.295 0.000 0.697) 1.471 4.152 ( 2.864 0.000 -6.520) 7.121 4.269 ( 1.431 0.000 20.286) 20.337 4.448 ( 3.407 0.000 -19.611) 19.905 4.681 ( 3.604 0.000 -16.835) 17.217 5.184 ( -1.523 0.000 -13.236) 13.323 5.471 ( -6.410 0.000 -3.587) 7.345 5.507 ( -4.446 0.000 -3.356) 5.570 5.872 ( 3.434 0.000 3.360) 4.804 6.081 ( -7.584 0.000 -0.224) 7.587 6.139 ( -11.554 0.000 23.275) 25.985 6.565 ( -14.210 0.000 7.890) 16.253 7.022 ( 8.642 0.000 4.038) 9.539 7.036 ( -10.044 0.000 34.032) 35.484 7.866 ( 2.660 0.000 -17.433) 17.635 8.009 ( -8.493 0.000 15.537) 17.706 8.352 ( 12.923 0.000 2.914) 13.248 8.391 ( 3.376 0.000 11.838) 12.310 8.888 ( 11.226 0.000 2.013) 11.405 8.931 ( -3.214 0.000 -35.711) 35.855 8.991 ( -8.058 0.000 -16.252) 18.140 9.180 ( 2.341 0.000 -10.654) 10.908 11.757 ( 64.979 0.000 27.878) 70.707 12.819 ( 28.478 0.000 26.654) 39.006 13.312 ( 39.034 0.000 -46.534) 60.737 14.021 ( 14.733 0.000 -31.453) 34.732 18.814 ( 1.932 0.000 25.237) 25.311 19.346 ( -10.745 0.000 10.698) 15.163 19.491 ( 2.216 0.000 11.812) 12.019 20.017 ( -8.853 0.000 -4.282) 9.834 20.915 ( 49.688 0.000 26.849) 56.478 20.971 ( 50.003 0.000 17.069) 52.836 21.569 ( 41.967 0.000 25.237) 48.971 21.638 ( 45.092 0.000 14.875) 47.482 22.956 ( 0.494 0.000 8.720) 8.734 23.126 ( 7.975 0.000 -0.513) 7.991 23.264 ( 3.850 0.000 -13.018) 13.575 23.462 ( 8.008 0.000 -10.910) 13.533 25.962 ( -9.253 0.000 21.474) 23.382 26.183 ( -1.445 0.000 17.310) 17.370 26.532 ( 4.275 0.000 19.874) 20.329 26.674 ( 7.046 0.000 -4.944) 8.608 26.925 ( 3.563 0.000 13.352) 13.819 27.165 ( -0.193 0.000 0.659) 0.687 27.425 ( 17.813 0.000 -18.727) 25.845 27.836 ( 7.700 0.000 -25.371) 26.514 30.151 ( -0.479 0.000 24.221) 24.225 30.672 ( 4.442 0.000 -6.074) 7.525 31.112 ( -2.185 0.000 35.273) 35.341 31.587 ( 6.884 0.000 64.391) 64.758 31.704 ( 0.880 0.000 60.240) 60.247 32.009 ( -2.125 0.000 39.324) 39.381 32.196 ( -7.171 0.000 -17.362) 18.785 33.362 ( -5.528 0.000 8.040) 9.757 33.737 ( -4.058 0.000 -17.370) 17.838 34.016 ( -9.040 0.000 -16.869) 19.138 34.408 ( 7.135 0.000 -52.385) 52.869 34.991 ( 11.903 0.000 -56.419) 57.661 37.989 ( -5.815 0.000 14.871) 15.967 38.415 ( -9.142 0.000 -6.463) 11.196 39.638 ( -1.235 0.000 13.996) 14.051 40.299 ( -6.095 0.000 -13.187) 14.528 40.308 ( -12.203 0.000 2.657) 12.489 40.386 ( -3.863 0.000 14.563) 15.067 40.448 ( -2.000 0.000 -7.509) 7.771 40.790 ( -5.004 0.000 6.821) 8.460 40.990 ( -4.351 0.000 -12.164) 12.919 41.098 ( 0.759 0.000 -8.923) 8.956 41.534 ( -4.617 0.000 4.347) 6.341 41.889 ( -4.876 0.000 -13.964) 14.791 ======================= Grid point 222 (75/108) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( 12.896 0.000 23.523) 26.826 3.853 ( 3.997 0.000 12.612) 13.230 4.073 ( 13.119 0.000 15.663) 20.431 4.221 ( 3.830 0.000 -8.473) 9.299 4.320 ( 4.213 0.000 15.991) 16.537 4.513 ( 2.984 0.000 -15.573) 15.857 4.724 ( -0.155 0.000 -11.920) 11.921 5.178 ( -0.440 0.000 -8.894) 8.905 5.315 ( -9.043 0.000 -1.551) 9.175 5.451 ( 0.401 0.000 -9.396) 9.405 5.681 ( -17.973 0.000 5.629) 18.834 5.896 ( -11.297 0.000 3.332) 11.778 6.111 ( 4.445 0.000 5.563) 7.121 6.231 ( -19.095 0.000 -3.922) 19.494 6.866 ( -5.910 0.000 31.607) 32.155 7.185 ( 6.628 0.000 0.411) 6.641 7.805 ( -10.542 0.000 20.335) 22.905 7.901 ( 0.851 0.000 -9.075) 9.115 8.516 ( 8.422 0.000 12.827) 15.345 8.562 ( 2.870 0.000 -5.229) 5.965 8.839 ( -5.232 0.000 -32.205) 32.627 8.839 ( -2.979 0.000 -8.102) 8.632 9.118 ( 10.651 0.000 1.327) 10.733 9.221 ( 2.104 0.000 -5.386) 5.783 13.160 ( 68.580 0.000 13.971) 69.989 13.694 ( 64.155 0.000 14.924) 65.868 14.157 ( 39.858 0.000 -32.318) 51.314 14.552 ( 44.087 0.000 -26.639) 51.510 18.787 ( -5.681 0.000 18.706) 19.550 19.052 ( -18.908 0.000 9.580) 21.197 19.485 ( -4.297 0.000 9.995) 10.879 19.774 ( -15.779 0.000 -1.551) 15.855 22.085 ( 64.168 0.000 36.358) 73.752 22.101 ( 58.010 0.000 30.415) 65.500 22.777 ( 76.237 0.000 11.741) 77.135 22.831 ( 61.196 0.000 4.395) 61.354 23.031 ( 9.260 0.000 7.217) 11.740 23.396 ( 30.774 0.000 3.934) 31.024 23.413 ( 14.989 0.000 -8.477) 17.220 23.679 ( 13.969 0.000 -14.224) 19.936 25.834 ( -0.178 0.000 25.210) 25.210 26.182 ( 2.764 0.000 20.666) 20.850 26.655 ( 8.130 0.000 24.590) 25.899 26.861 ( 12.247 0.000 -6.629) 13.926 27.018 ( 5.879 0.000 9.027) 10.773 27.219 ( 7.173 0.000 0.565) 7.195 27.850 ( 24.962 0.000 -24.559) 35.018 28.028 ( 11.741 0.000 -25.820) 28.364 30.147 ( 0.316 0.000 27.691) 27.692 30.757 ( 3.434 0.000 -7.698) 8.429 31.048 ( -4.552 0.000 30.601) 30.938 31.618 ( -11.481 0.000 46.687) 48.078 31.738 ( 6.422 0.000 57.719) 58.076 31.998 ( -12.798 0.000 -18.891) 22.818 32.116 ( 16.211 0.000 52.559) 55.002 33.223 ( -8.817 0.000 -3.091) 9.343 33.671 ( 0.189 0.000 0.380) 0.424 33.776 ( -15.530 0.000 -17.452) 23.362 34.607 ( 13.338 0.000 -49.630) 51.392 35.312 ( 20.971 0.000 -52.782) 56.796 37.820 ( -11.607 0.000 11.983) 16.683 38.144 ( -19.107 0.000 -4.617) 19.657 39.572 ( -8.097 0.000 11.938) 14.425 39.953 ( -20.988 0.000 11.724) 24.040 40.075 ( -17.065 0.000 -9.355) 19.461 40.287 ( -6.145 0.000 14.371) 15.630 40.428 ( -0.216 0.000 -13.951) 13.953 40.713 ( -2.796 0.000 8.410) 8.863 40.890 ( -5.664 0.000 -12.970) 14.153 41.108 ( 0.268 0.000 -10.307) 10.311 41.404 ( -8.557 0.000 4.353) 9.601 41.757 ( -8.532 0.000 -13.570) 16.029 ======================= Grid point 223 (76/108) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( 11.962 0.000 16.218) 20.152 3.897 ( 2.547 0.000 7.049) 7.495 4.280 ( 1.761 0.000 -8.775) 8.950 4.302 ( 6.506 0.000 3.449) 7.363 4.476 ( 8.856 0.000 7.599) 11.669 4.605 ( 10.930 0.000 4.959) 12.003 4.701 ( -0.940 0.000 -10.947) 10.987 5.047 ( -13.033 0.000 7.664) 15.120 5.132 ( -10.021 0.000 0.955) 10.066 5.347 ( -13.168 0.000 -7.332) 15.072 5.597 ( 9.933 0.000 -13.844) 17.039 5.657 ( -12.270 0.000 -0.140) 12.271 5.869 ( -17.285 0.000 -5.569) 18.160 6.154 ( 0.684 0.000 -10.328) 10.350 6.853 ( 4.531 0.000 31.601) 31.924 7.166 ( -10.814 0.000 6.235) 12.483 7.716 ( 3.554 0.000 12.211) 12.718 7.893 ( -1.966 0.000 -2.406) 3.107 8.382 ( -15.367 0.000 -16.879) 22.827 8.636 ( -1.183 0.000 -10.969) 11.032 8.786 ( 4.465 0.000 -3.422) 5.625 8.949 ( 8.781 0.000 5.242) 10.226 9.261 ( 1.802 0.000 -0.405) 1.847 9.277 ( 5.435 0.000 1.752) 5.710 14.354 ( 58.884 0.000 6.619) 59.254 14.873 ( 37.756 0.000 -18.028) 41.839 15.110 ( 73.388 0.000 2.407) 73.428 15.571 ( 54.519 0.000 -18.903) 57.703 18.579 ( -15.759 0.000 11.284) 19.383 18.630 ( -24.212 0.000 9.113) 25.870 19.306 ( -14.203 0.000 5.493) 15.228 19.415 ( -21.070 0.000 -0.168) 21.070 22.981 ( 28.956 0.000 26.975) 39.573 22.995 ( 20.466 0.000 28.650) 35.209 23.347 ( 11.950 0.000 0.533) 11.962 23.467 ( 41.207 0.000 25.591) 48.507 23.618 ( 22.377 0.000 12.118) 25.448 23.945 ( 17.502 0.000 -17.004) 24.402 24.392 ( 54.335 0.000 0.297) 54.335 24.632 ( 60.528 0.000 -5.233) 60.753 26.216 ( 47.847 0.000 26.401) 54.648 26.424 ( 28.878 0.000 26.008) 38.863 26.829 ( 9.446 0.000 29.829) 31.289 27.157 ( 9.905 0.000 2.692) 10.264 27.178 ( 21.059 0.000 -10.452) 23.510 27.482 ( 21.422 0.000 5.973) 22.239 28.298 ( 17.277 0.000 -23.148) 28.885 28.379 ( 29.749 0.000 -19.081) 35.343 30.171 ( 2.178 0.000 32.250) 32.324 30.799 ( 1.373 0.000 -0.104) 1.377 30.936 ( -6.752 0.000 21.223) 22.271 31.300 ( -20.334 0.000 41.308) 46.042 31.677 ( -15.529 0.000 12.962) 20.228 31.772 ( -8.734 0.000 9.443) 12.862 32.601 ( 29.809 0.000 38.848) 48.966 32.964 ( -19.449 0.000 -19.737) 27.710 33.438 ( -16.502 0.000 -8.693) 18.651 33.919 ( 28.339 0.000 25.455) 38.092 34.922 ( 19.103 0.000 -44.693) 48.604 35.797 ( 28.852 0.000 -48.338) 56.293 37.538 ( -17.583 0.000 6.404) 18.713 37.669 ( -29.908 0.000 -1.451) 29.944 39.133 ( -35.689 0.000 10.982) 37.340 39.641 ( -27.661 0.000 -11.760) 30.057 39.728 ( -3.110 0.000 18.988) 19.241 40.156 ( -7.173 0.000 14.805) 16.451 40.433 ( 0.625 0.000 -15.953) 15.966 40.674 ( -1.342 0.000 8.971) 9.071 40.779 ( -5.759 0.000 -14.085) 15.217 41.112 ( 0.206 0.000 -11.272) 11.274 41.213 ( -10.872 0.000 4.957) 11.949 41.574 ( -9.903 0.000 -13.189) 16.493 ======================= Grid point 224 (77/108) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( 7.577 0.000 5.610) 9.428 4.021 ( 11.472 0.000 8.637) 14.359 4.296 ( 0.840 0.000 -4.708) 4.783 4.393 ( 4.185 0.000 -3.267) 5.309 4.548 ( 0.981 0.000 -5.868) 5.949 4.660 ( -6.929 0.000 -8.801) 11.201 4.776 ( -11.356 0.000 5.850) 12.774 4.840 ( -3.069 0.000 8.279) 8.829 4.949 ( 0.500 0.000 6.475) 6.494 5.177 ( -3.076 0.000 -9.593) 10.074 5.479 ( -8.875 0.000 -9.571) 13.052 5.634 ( -0.285 0.000 8.874) 8.878 5.660 ( -5.714 0.000 -13.957) 15.081 6.287 ( 15.134 0.000 -16.103) 22.099 6.832 ( -21.426 0.000 14.944) 26.123 6.976 ( 5.498 0.000 20.178) 20.914 7.819 ( -5.278 0.000 1.640) 5.527 7.876 ( 10.805 0.000 0.222) 10.807 8.083 ( -14.035 0.000 -10.895) 17.767 8.509 ( -9.032 0.000 -19.555) 21.540 8.959 ( 10.151 0.000 9.595) 13.968 9.101 ( 6.721 0.000 5.788) 8.870 9.283 ( 0.325 0.000 3.366) 3.382 9.326 ( -0.237 0.000 3.344) 3.352 15.472 ( 55.727 0.000 0.369) 55.729 15.640 ( 40.767 0.000 -7.877) 41.521 16.384 ( 56.183 0.000 -2.704) 56.248 16.536 ( 42.347 0.000 -8.832) 43.258 18.142 ( -24.265 0.000 6.274) 25.063 18.188 ( -23.601 0.000 5.160) 24.158 18.943 ( -22.930 0.000 1.989) 23.016 18.959 ( -26.116 0.000 0.196) 26.117 23.261 ( 11.205 0.000 17.153) 20.489 23.334 ( 12.410 0.000 11.477) 16.903 23.503 ( 5.113 0.000 2.583) 5.729 23.835 ( -0.065 0.000 8.778) 8.778 24.201 ( 29.963 0.000 33.045) 44.607 24.403 ( 26.957 0.000 6.101) 27.638 24.984 ( 14.002 0.000 9.157) 16.730 25.156 ( 1.536 0.000 8.762) 8.896 26.920 ( 8.082 0.000 21.702) 23.158 27.071 ( 7.093 0.000 5.868) 9.206 27.176 ( 32.333 0.000 -4.579) 32.656 27.578 ( 15.492 0.000 -8.115) 17.488 27.975 ( 84.635 0.000 11.320) 85.388 28.211 ( 54.260 0.000 12.495) 55.681 28.789 ( 36.063 0.000 -2.547) 36.153 28.999 ( 33.546 0.000 2.733) 33.657 30.210 ( 0.505 0.000 38.689) 38.693 30.761 ( -8.933 0.000 18.680) 20.706 30.861 ( -21.938 0.000 40.072) 45.684 30.878 ( 4.105 0.000 -1.988) 4.561 31.310 ( -22.072 0.000 1.968) 22.160 31.539 ( -12.893 0.000 2.736) 13.180 32.461 ( -31.894 0.000 -18.549) 36.895 32.652 ( -28.625 0.000 -14.976) 32.306 33.706 ( 46.772 0.000 32.155) 56.758 34.725 ( 51.250 0.000 25.311) 57.159 35.343 ( 24.093 0.000 -35.941) 43.269 36.363 ( 20.893 0.000 -37.188) 42.655 37.041 ( -26.424 0.000 -1.391) 26.461 37.146 ( -22.220 0.000 -1.805) 22.294 38.318 ( -47.227 0.000 14.226) 49.323 39.007 ( -37.462 0.000 -16.470) 40.923 39.721 ( 1.563 0.000 18.768) 18.833 40.015 ( -7.198 0.000 15.715) 17.285 40.454 ( 1.687 0.000 -16.651) 16.736 40.664 ( 0.606 0.000 9.202) 9.222 40.670 ( -5.354 0.000 -15.141) 16.060 41.000 ( -10.600 0.000 6.257) 12.310 41.122 ( 1.054 0.000 -12.024) 12.070 41.390 ( -8.712 0.000 -12.936) 15.596 ======================= Grid point 225 (78/108) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.195 ( 13.326 0.000 3.934) 13.895 4.229 ( 9.436 0.000 2.386) 9.733 4.344 ( 2.304 0.000 1.081) 2.545 4.450 ( -6.105 0.000 -0.317) 6.113 4.469 ( -6.006 0.000 -0.058) 6.007 4.509 ( 0.049 0.000 -4.887) 4.887 4.586 ( -10.470 0.000 -4.088) 11.239 4.612 ( -8.871 0.000 -4.498) 9.946 5.072 ( 7.415 0.000 -0.271) 7.420 5.249 ( 9.041 0.000 -12.263) 15.236 5.256 ( -11.424 0.000 -5.887) 12.851 5.465 ( -12.048 0.000 -14.410) 18.783 5.911 ( 22.537 0.000 17.393) 28.468 6.380 ( -24.594 0.000 17.754) 30.332 6.649 ( 19.525 0.000 -12.766) 23.328 6.954 ( -9.518 0.000 -0.582) 9.536 7.757 ( 1.191 0.000 5.016) 5.155 7.865 ( -8.703 0.000 1.350) 8.807 8.097 ( 11.537 0.000 -7.091) 13.542 8.315 ( -10.803 0.000 -13.658) 17.414 9.142 ( 8.400 0.000 7.917) 11.543 9.208 ( 4.317 0.000 5.765) 7.202 9.268 ( -1.914 0.000 5.240) 5.578 9.274 ( -4.954 0.000 5.523) 7.420 16.410 ( 37.243 0.000 -0.175) 37.243 16.469 ( 45.731 0.000 -2.815) 45.817 16.948 ( -9.360 0.000 2.041) 9.580 17.064 ( -1.358 0.000 -4.574) 4.771 17.887 ( 8.356 0.000 1.990) 8.590 17.944 ( 13.400 0.000 -1.718) 13.509 18.401 ( -31.275 0.000 -0.001) 31.275 18.434 ( -28.746 0.000 -0.963) 28.762 23.447 ( 7.605 0.000 12.042) 14.242 23.539 ( -1.559 0.000 7.218) 7.384 23.548 ( 10.327 0.000 8.719) 13.515 23.734 ( -8.417 0.000 7.948) 11.577 24.668 ( 19.890 0.000 25.783) 32.563 24.856 ( 18.408 0.000 9.560) 20.742 25.000 ( -14.089 0.000 19.607) 24.144 25.077 ( -3.716 0.000 11.461) 12.049 27.022 ( 4.009 0.000 17.865) 18.310 27.087 ( -2.426 0.000 9.031) 9.351 27.580 ( 12.761 0.000 -11.112) 16.921 27.713 ( -0.745 0.000 -10.110) 10.137 29.157 ( 38.237 0.000 11.062) 39.805 29.490 ( 16.324 0.000 21.029) 26.621 29.585 ( 67.683 0.000 -5.307) 67.891 29.627 ( 31.691 0.000 29.805) 43.504 30.115 ( -9.756 0.000 41.916) 43.037 30.471 ( -6.914 0.000 18.434) 19.688 30.593 ( -10.549 0.000 23.397) 25.665 30.750 ( -39.313 0.000 -1.087) 39.328 31.163 ( 27.528 0.000 -2.619) 27.652 31.429 ( 5.331 0.000 -9.008) 10.468 31.804 ( -31.539 0.000 -10.300) 33.178 31.915 ( -43.521 0.000 -10.980) 44.885 34.772 ( 58.751 0.000 18.758) 61.673 35.683 ( 37.195 0.000 2.104) 37.254 35.825 ( 22.213 0.000 -13.628) 26.061 35.871 ( -51.875 0.000 5.075) 52.123 36.787 ( -5.510 0.000 -4.729) 7.261 37.349 ( -50.018 0.000 14.020) 51.946 37.374 ( 40.862 0.000 -28.261) 49.683 38.213 ( -43.574 0.000 -22.608) 49.090 39.779 ( 4.321 0.000 17.961) 18.473 39.883 ( -6.259 0.000 16.845) 17.970 40.500 ( 3.114 0.000 -16.637) 16.926 40.574 ( -4.463 0.000 -16.066) 16.675 40.706 ( 3.874 0.000 8.858) 9.668 40.819 ( -7.774 0.000 7.782) 10.999 41.160 ( 3.065 0.000 -12.517) 12.887 41.246 ( -5.943 0.000 -12.770) 14.085 ======================= Grid point 231 (79/108) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.313 ( 0.000 9.010 30.325) 31.635 3.578 ( 0.000 -0.640 31.691) 31.697 3.810 ( 0.000 -7.432 6.618) 9.952 4.144 ( 0.000 -9.329 22.720) 24.560 4.302 ( 0.000 10.762 -12.002) 16.120 4.469 ( 0.000 5.768 -21.561) 22.319 4.648 ( 0.000 -0.024 -18.727) 18.727 5.130 ( 0.000 -6.964 -17.120) 18.482 5.518 ( 0.000 0.124 -1.728) 1.732 5.643 ( 0.000 4.779 -6.539) 8.099 5.767 ( 0.000 -2.349 11.225) 11.468 6.094 ( 0.000 -4.987 -0.884) 5.065 6.362 ( 0.000 4.139 17.443) 17.927 6.696 ( 0.000 -2.752 26.073) 26.218 6.922 ( 0.000 3.424 7.158) 7.934 7.225 ( 0.000 4.889 30.416) 30.807 7.704 ( 0.000 -9.653 -18.588) 20.945 7.872 ( 0.000 -14.152 21.129) 25.430 8.340 ( 0.000 7.311 -4.904) 8.804 8.435 ( 0.000 3.915 6.699) 7.759 8.841 ( 0.000 7.103 1.477) 7.255 8.970 ( 0.000 0.214 -36.027) 36.028 9.085 ( 0.000 -0.586 -9.355) 9.374 9.130 ( 0.000 -0.800 -19.118) 19.134 11.191 ( 0.000 12.026 37.752) 39.621 12.401 ( 0.000 -12.820 31.821) 34.306 13.014 ( 0.000 10.104 -50.836) 51.830 13.820 ( 0.000 -6.236 -36.944) 37.466 18.808 ( 0.000 2.845 28.675) 28.816 19.311 ( 0.000 -9.376 29.337) 30.799 19.510 ( 0.000 2.496 -5.655) 6.181 19.940 ( 0.000 -10.151 0.375) 10.158 20.557 ( 0.000 9.459 22.008) 23.955 20.590 ( 0.000 11.604 14.550) 18.610 21.119 ( 0.000 -4.235 25.936) 26.279 21.171 ( 0.000 -3.233 15.186) 15.527 22.977 ( 0.000 0.373 11.727) 11.733 23.002 ( 0.000 -0.990 -1.264) 1.606 23.335 ( 0.000 7.032 -17.427) 18.793 23.421 ( 0.000 2.929 -10.670) 11.065 25.963 ( 0.000 -7.819 21.505) 22.883 25.986 ( 0.000 -11.421 22.491) 25.225 26.635 ( 0.000 1.889 -11.466) 11.620 26.743 ( 0.000 13.172 6.146) 14.535 26.993 ( 0.000 9.712 15.667) 18.433 27.143 ( 0.000 -5.187 -6.572) 8.373 27.378 ( 0.000 15.361 -0.112) 15.361 27.845 ( 0.000 5.746 -20.773) 21.553 30.172 ( 0.000 1.677 22.935) 22.996 30.665 ( 0.000 4.373 -4.119) 6.008 30.932 ( 0.000 -16.339 34.886) 38.523 31.462 ( 0.000 -7.375 48.704) 49.259 31.671 ( 0.000 -1.257 61.968) 61.981 31.821 ( 0.000 -10.989 29.003) 31.015 32.502 ( 0.000 13.959 5.716) 15.084 33.333 ( 0.000 -7.678 10.692) 13.163 33.820 ( 0.000 3.329 -20.255) 20.527 34.072 ( 0.000 -2.874 -16.845) 17.088 34.395 ( 0.000 4.757 -52.457) 52.672 34.815 ( 0.000 -4.804 -58.031) 58.230 38.134 ( 0.000 8.200 15.690) 17.704 38.580 ( 0.000 7.104 -6.681) 9.752 39.366 ( 0.000 -21.432 11.834) 24.482 39.777 ( 0.000 -29.457 -6.022) 30.067 40.450 ( 0.000 2.332 13.128) 13.334 40.581 ( 0.000 1.028 2.573) 2.771 40.646 ( 0.000 11.129 -1.073) 11.180 41.017 ( 0.000 -2.187 -12.681) 12.868 41.037 ( 0.000 8.548 -0.381) 8.556 41.268 ( 0.000 16.652 -12.003) 20.528 41.539 ( 0.000 -3.684 4.737) 6.001 41.912 ( 0.000 -2.473 -14.496) 14.705 ======================= Grid point 232 (80/108) ======================= q-point: ( 0.09 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 7.679 6.355 28.120) 29.834 3.674 ( 8.527 -1.026 28.314) 29.588 3.841 ( 3.680 -6.315 8.595) 11.283 4.136 ( -0.276 -7.766 19.265) 20.773 4.347 ( 3.866 9.382 -10.015) 14.257 4.463 ( 0.092 2.173 -19.856) 19.975 4.706 ( 4.139 1.434 -17.049) 17.603 5.117 ( -0.463 -6.218 -17.524) 18.601 5.473 ( -4.467 1.408 -1.477) 4.911 5.552 ( -6.076 3.477 -1.376) 7.135 5.878 ( 6.796 -1.014 2.747) 7.400 5.990 ( -10.059 -4.761 6.469) 12.872 6.241 ( -10.203 5.749 13.632) 17.971 6.609 ( -9.703 3.518 10.614) 14.805 6.952 ( 3.191 -1.999 11.897) 12.479 7.125 ( -7.458 5.415 23.323) 25.078 7.666 ( -4.780 -12.089 -7.005) 14.767 7.963 ( 8.016 -12.326 20.305) 25.070 8.308 ( -0.879 6.867 2.156) 7.251 8.546 ( 8.771 5.122 0.180) 10.159 8.922 ( 3.908 1.629 -7.517) 8.627 8.934 ( 0.130 1.887 -24.147) 24.221 9.012 ( -6.579 1.444 -16.381) 17.711 9.156 ( 1.715 -2.231 -11.574) 11.911 11.843 ( 60.876 7.899 28.848) 67.827 12.708 ( 31.391 -9.801 27.533) 42.890 13.399 ( 36.679 7.671 -45.906) 59.258 13.980 ( 16.927 -4.007 -34.074) 38.257 18.844 ( 2.007 2.932 26.098) 26.338 19.300 ( -4.833 -5.940 23.098) 24.335 19.477 ( -1.730 1.332 1.070) 2.431 19.922 ( -5.760 -7.705 -2.265) 9.883 21.024 ( 45.578 8.833 23.787) 52.165 21.050 ( 47.508 6.645 18.003) 51.238 21.531 ( 42.957 -3.519 24.860) 49.756 21.598 ( 44.871 -3.797 14.644) 47.353 22.972 ( 2.074 1.729 8.205) 8.638 23.099 ( 7.935 -1.220 2.894) 8.534 23.369 ( 3.740 7.024 -15.156) 17.118 23.497 ( 7.541 2.560 -13.046) 15.285 25.849 ( -7.142 -6.951 22.229) 24.361 26.033 ( 1.557 -10.144 23.641) 25.772 26.646 ( 1.150 2.133 -9.920) 10.211 26.783 ( 4.797 11.388 5.908) 13.696 27.016 ( 3.381 9.532 15.687) 18.665 27.165 ( 1.043 -3.808 -2.760) 4.817 27.528 ( 15.064 12.488 -9.044) 21.556 27.935 ( 8.664 6.053 -21.411) 23.878 30.165 ( -0.542 1.625 24.236) 24.296 30.706 ( 3.584 3.504 -5.722) 7.607 30.917 ( -1.479 -15.618 32.837) 36.392 31.529 ( 5.984 -8.697 39.978) 41.348 31.687 ( 0.913 -1.200 61.273) 61.291 31.785 ( -2.059 -9.243 37.185) 38.372 32.440 ( -5.742 14.057 7.535) 16.951 33.278 ( -5.181 -7.594 10.102) 13.658 33.766 ( -5.115 2.611 -18.149) 19.036 33.985 ( -8.636 -2.568 -17.767) 19.922 34.466 ( 7.304 5.024 -51.939) 52.690 34.930 ( 11.352 -5.302 -55.695) 57.087 38.079 ( -5.604 8.379 14.858) 17.954 38.494 ( -8.950 7.262 -6.040) 13.012 39.339 ( -2.866 -22.282 11.353) 25.171 39.693 ( -8.936 -29.279 -3.771) 30.843 40.415 ( -3.463 2.674 12.799) 13.526 40.571 ( -1.118 1.271 2.366) 2.909 40.609 ( -4.037 12.727 -0.760) 13.374 40.947 ( -6.045 5.328 -5.682) 9.860 41.038 ( -0.939 3.248 -8.262) 8.927 41.202 ( -5.691 13.532 -10.672) 18.149 41.496 ( -4.476 -3.405 4.246) 7.046 41.862 ( -5.089 -2.682 -14.289) 15.404 ======================= Grid point 233 (81/108) ======================= q-point: ( 0.18 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( 11.099 2.588 22.630) 25.338 3.805 ( 3.975 -3.522 13.162) 14.193 4.002 ( 11.645 -4.228 15.940) 20.188 4.164 ( 4.936 -6.597 18.731) 20.463 4.416 ( 2.173 6.210 -10.027) 11.992 4.486 ( 2.353 -0.007 -15.247) 15.428 4.747 ( 0.070 1.952 -12.506) 12.657 5.149 ( 2.618 -3.611 -14.669) 15.333 5.352 ( -6.978 3.271 -1.451) 7.843 5.437 ( -5.693 0.855 -2.600) 6.316 5.708 ( -16.155 0.599 9.541) 18.771 5.954 ( -4.741 2.215 -4.138) 6.671 6.061 ( -5.124 -1.114 7.571) 9.210 6.362 ( -13.671 10.849 -4.250) 17.963 6.948 ( -3.844 4.555 23.616) 24.356 7.071 ( 1.145 -7.489 1.498) 7.723 7.544 ( -5.634 -11.690 10.073) 16.427 8.110 ( 5.310 0.968 12.179) 13.322 8.345 ( 5.108 -1.761 8.297) 9.901 8.696 ( 3.683 4.193 -4.589) 7.225 8.843 ( -7.383 2.013 -26.926) 27.992 8.886 ( -0.914 2.842 -10.662) 11.073 9.087 ( 7.657 -2.514 0.637) 8.084 9.190 ( 1.915 -2.977 -7.073) 7.909 13.186 ( 68.016 2.650 15.672) 69.848 13.623 ( 63.950 -6.065 16.145) 66.235 14.219 ( 40.913 5.219 -33.061) 52.860 14.538 ( 43.562 -1.493 -28.262) 51.948 18.818 ( -5.654 2.917 19.626) 20.632 19.067 ( -17.569 0.795 13.106) 21.934 19.432 ( -5.278 -3.672 7.444) 9.836 19.706 ( -15.590 -5.883 -1.110) 16.700 22.109 ( 56.542 2.411 32.195) 65.110 22.147 ( 60.249 3.386 34.831) 69.675 22.763 ( 73.331 -0.967 9.665) 73.971 22.828 ( 71.531 -0.639 4.976) 71.706 23.100 ( 14.244 5.633 7.511) 17.060 23.345 ( 23.161 -1.831 4.856) 23.736 23.517 ( 16.385 6.218 -9.581) 19.973 23.700 ( 13.323 1.352 -15.139) 20.212 25.766 ( 1.894 -3.998 25.998) 26.371 26.069 ( 3.698 -9.443 27.213) 29.041 26.703 ( 5.745 1.745 -6.385) 8.764 26.932 ( 10.187 6.930 5.453) 13.474 27.128 ( 6.365 9.273 11.220) 15.887 27.210 ( 6.403 -1.134 2.183) 6.860 27.910 ( 23.251 7.938 -18.383) 30.685 28.152 ( 13.226 7.004 -23.278) 27.673 30.159 ( 0.089 1.407 27.355) 27.392 30.760 ( 0.781 -1.329 1.765) 2.343 30.879 ( -2.273 -11.351 19.981) 23.092 31.516 ( -9.986 -10.692 19.443) 24.332 31.742 ( 5.714 -0.375 54.538) 54.838 31.812 ( 0.761 -6.269 40.015) 40.510 32.361 ( 2.638 13.707 22.887) 26.808 33.165 ( -5.976 -5.858 2.890) 8.853 33.659 ( -3.655 -0.556 -4.680) 5.964 33.754 ( -14.810 -1.832 -17.261) 22.817 34.672 ( 13.788 5.717 -49.527) 51.727 35.236 ( 20.033 -6.576 -52.161) 56.261 37.916 ( -11.276 8.849 12.029) 18.712 38.228 ( -18.743 7.726 -4.132) 20.690 39.245 ( -7.436 -24.039 8.876) 26.682 39.414 ( -20.141 -27.593 2.341) 34.242 40.326 ( -5.513 3.519 12.747) 14.327 40.471 ( -10.512 17.756 0.640) 20.644 40.538 ( -2.066 1.657 0.642) 2.725 40.822 ( -5.736 6.689 -4.532) 9.909 40.974 ( -5.908 8.292 -10.830) 14.864 41.114 ( -2.352 2.344 -9.442) 10.009 41.369 ( -8.380 -2.995 3.688) 9.633 41.724 ( -8.783 -3.120 -13.835) 16.682 ======================= Grid point 234 (82/108) ======================= q-point: ( 0.27 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( 10.872 0.417 15.375) 18.835 3.879 ( 4.846 -1.092 9.464) 10.688 4.141 ( 4.132 -5.987 2.628) 7.734 4.406 ( 15.588 -7.687 22.913) 28.759 4.423 ( -0.504 2.607 -8.641) 9.039 4.539 ( 3.683 -1.207 -8.322) 9.180 4.756 ( 1.458 5.068 -12.027) 13.132 5.049 ( -12.232 3.021 4.795) 13.481 5.254 ( -6.156 6.651 -0.839) 9.101 5.367 ( -2.169 -10.212 -6.229) 12.157 5.406 ( -14.338 2.353 -1.778) 14.638 5.758 ( -10.415 5.946 -1.459) 12.082 5.995 ( -2.469 -1.618 -8.654) 9.144 6.147 ( -8.432 8.492 -11.620) 16.680 6.851 ( -9.283 -9.064 9.570) 16.122 7.051 ( -1.147 -2.913 9.969) 10.449 7.529 ( 4.113 -5.768 13.481) 15.229 8.153 ( -0.112 13.781 6.301) 15.154 8.437 ( -0.177 -0.811 -0.648) 1.053 8.663 ( -0.828 4.397 -2.108) 4.946 8.737 ( -2.889 -0.507 -17.664) 17.906 8.971 ( 6.758 0.634 1.104) 6.877 9.187 ( 2.283 -5.755 1.368) 6.340 9.240 ( 3.146 -4.016 -1.987) 5.475 14.402 ( 60.347 4.612 7.818) 61.026 14.927 ( 49.294 1.075 -8.104) 49.967 15.062 ( 62.867 -0.754 -6.999) 63.260 15.535 ( 53.764 -3.572 -20.008) 57.478 18.612 ( -15.669 2.932 12.231) 20.093 18.657 ( -24.318 2.477 10.635) 26.658 19.237 ( -14.864 -5.613 4.393) 16.485 19.339 ( -22.032 -6.514 -0.248) 22.976 22.925 ( 25.193 -0.402 27.586) 37.361 23.069 ( 27.253 0.955 32.820) 42.671 23.418 ( 15.717 6.712 -1.046) 17.122 23.566 ( 36.666 8.505 20.749) 42.980 23.689 ( 21.145 5.556 12.786) 25.327 23.943 ( 19.156 -0.523 -15.983) 24.954 24.390 ( 54.046 -0.469 -1.282) 54.063 24.582 ( 57.526 -4.230 -4.056) 57.824 26.164 ( 45.648 -2.934 26.805) 53.018 26.352 ( 35.547 -6.234 27.680) 45.482 26.882 ( 11.645 3.105 6.130) 13.521 27.128 ( 8.002 -2.342 -4.486) 9.468 27.292 ( 16.446 8.847 7.578) 20.154 27.487 ( 22.450 2.357 14.259) 26.700 28.385 ( 22.360 7.035 -18.975) 30.158 28.469 ( 23.358 6.296 -20.476) 31.694 30.174 ( 1.479 0.607 31.321) 31.361 30.723 ( -4.115 -10.646 23.991) 26.567 30.840 ( -1.459 -2.742 -2.922) 4.264 31.246 ( -17.006 -5.375 26.436) 31.890 31.651 ( -15.754 -2.484 11.324) 19.560 31.732 ( -8.445 -2.651 31.333) 32.560 32.677 ( 23.501 6.365 28.016) 37.117 32.970 ( -16.862 0.192 -17.525) 24.321 33.439 ( -13.045 0.510 -5.211) 14.057 33.835 ( 25.996 -7.217 25.125) 36.867 34.997 ( 19.718 6.748 -44.815) 49.424 35.700 ( 27.622 -8.420 -47.661) 55.727 37.638 ( -17.817 9.161 6.600) 21.094 37.763 ( -29.097 8.575 -1.072) 30.353 38.881 ( -32.707 -19.682 7.696) 38.941 39.050 ( -15.694 -29.232 3.253) 33.338 40.209 ( -6.298 4.674 13.373) 15.503 40.229 ( -12.964 21.620 4.319) 25.576 40.501 ( -1.571 1.130 -1.979) 2.768 40.740 ( -2.926 5.154 -4.941) 7.716 40.844 ( -6.713 7.593 -10.022) 14.253 41.091 ( -0.517 -1.715 -10.278) 10.432 41.183 ( -10.319 -2.271 3.384) 11.095 41.538 ( -10.015 -3.431 -13.404) 17.081 ======================= Grid point 235 (83/108) ======================= q-point: ( 0.36 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.990 ( 9.801 0.199 7.474) 12.327 4.035 ( 10.866 1.354 7.364) 13.195 4.214 ( 3.813 -4.686 -1.260) 6.171 4.418 ( 0.941 -0.187 -5.690) 5.770 4.523 ( 0.078 -1.500 -2.524) 2.937 4.682 ( -4.792 -5.007 8.601) 11.046 4.747 ( -2.032 5.045 -13.400) 14.461 4.873 ( 0.812 2.745 12.698) 13.016 5.056 ( -15.035 7.151 0.265) 16.651 5.186 ( -3.672 -0.274 -5.119) 6.306 5.309 ( -1.460 -8.441 0.814) 8.605 5.611 ( -3.580 2.113 -1.296) 4.355 5.895 ( -11.092 14.180 -15.924) 24.035 6.162 ( 11.041 -11.600 -12.799) 20.500 6.571 ( -16.711 -16.268 6.748) 24.279 7.032 ( -3.591 -5.556 -0.652) 6.647 7.658 ( 8.492 2.708 13.518) 16.192 8.121 ( -3.236 16.012 7.145) 17.830 8.357 ( -3.760 15.050 -7.537) 17.247 8.590 ( -6.255 6.600 -15.650) 18.100 8.840 ( 9.692 -8.694 11.048) 17.076 9.095 ( 5.726 -1.647 2.728) 6.553 9.199 ( -0.859 -7.066 4.317) 8.325 9.276 ( 0.182 -4.973 0.839) 5.046 15.533 ( 55.329 6.141 2.188) 55.712 15.768 ( 43.342 10.332 -8.327) 45.328 16.299 ( 56.940 -7.198 -1.825) 57.423 16.517 ( 45.866 -2.775 -10.700) 47.179 18.141 ( -27.842 1.250 8.054) 29.010 18.222 ( -24.048 2.644 5.310) 24.769 18.843 ( -26.828 -8.293 1.080) 28.101 18.876 ( -24.471 -7.252 -0.181) 25.524 23.268 ( 14.125 2.085 18.216) 23.145 23.408 ( 12.116 3.363 17.879) 21.858 23.605 ( 6.379 9.003 -2.013) 11.216 23.876 ( -0.339 3.175 8.637) 9.208 24.239 ( 27.067 4.338 29.515) 40.282 24.422 ( 25.884 1.270 7.217) 26.901 24.975 ( 12.230 -2.714 6.759) 14.234 25.075 ( 3.567 -5.456 7.123) 9.656 26.968 ( 20.607 1.052 8.288) 22.236 27.055 ( 5.100 5.003 17.139) 18.569 27.261 ( 25.357 4.114 -5.511) 26.273 27.469 ( 25.322 -8.468 -2.748) 26.842 28.027 ( 74.797 3.889 12.105) 75.870 28.247 ( 57.141 2.001 19.902) 60.541 28.828 ( 28.452 4.392 -7.589) 29.773 29.049 ( 32.734 3.393 0.975) 32.923 30.195 ( -0.522 -0.955 36.535) 36.551 30.618 ( -6.427 -11.928 25.752) 29.099 30.850 ( 0.021 -1.777 4.369) 4.717 30.880 ( -16.168 1.722 21.420) 26.892 31.287 ( -21.231 -2.472 5.703) 22.123 31.473 ( -14.635 -5.488 8.317) 17.706 32.472 ( -31.936 1.096 -19.454) 37.411 32.629 ( -29.735 -2.053 -16.584) 34.109 33.800 ( 47.539 8.354 31.669) 57.729 34.623 ( 51.399 -9.073 26.484) 58.529 35.428 ( 24.363 7.805 -36.588) 44.644 36.262 ( 25.337 -9.318 -38.378) 46.922 37.105 ( -32.150 6.606 1.697) 32.865 37.257 ( -23.019 10.057 -2.350) 25.229 38.126 ( -44.502 -15.902 12.025) 48.764 38.630 ( -28.329 -25.818 -8.132) 39.182 40.024 ( -7.245 19.204 10.523) 23.065 40.090 ( -5.850 6.432 14.090) 16.557 40.486 ( 0.194 -0.178 -3.980) 3.989 40.685 ( -4.108 1.373 -11.027) 11.847 40.741 ( -2.547 7.278 -2.584) 8.132 40.982 ( -9.474 -0.969 3.299) 10.079 41.097 ( 0.695 -2.267 -11.556) 11.796 41.353 ( -8.652 -3.433 -13.100) 16.071 ======================= Grid point 236 (84/108) ======================= q-point: ( 0.45 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.215 ( 12.390 0.472 3.567) 12.902 4.245 ( 10.002 2.699 2.085) 10.568 4.314 ( 5.803 -2.429 0.787) 6.340 4.432 ( -2.377 -1.781 -3.181) 4.352 4.457 ( -6.847 0.265 0.519) 6.872 4.535 ( -0.138 1.692 -2.042) 2.656 4.633 ( -9.543 2.070 -5.118) 11.025 4.651 ( -15.607 4.565 -4.493) 16.871 5.025 ( 5.223 -2.263 4.356) 7.167 5.148 ( -5.811 -2.764 0.039) 6.435 5.385 ( 10.993 4.203 -6.727) 13.556 5.628 ( -10.912 8.212 -15.898) 20.959 5.751 ( 12.897 -5.462 9.362) 16.847 6.107 ( -18.893 -18.251 14.684) 30.094 6.554 ( 15.817 -10.485 -18.343) 26.393 6.861 ( -13.639 -12.187 -13.971) 23.016 7.841 ( 9.795 11.802 13.335) 20.324 8.015 ( -7.665 15.114 9.791) 19.572 8.358 ( 3.538 16.262 -6.850) 17.997 8.462 ( -6.527 11.289 -10.826) 16.949 9.020 ( 8.291 -9.335 10.035) 16.018 9.147 ( -4.540 -8.508 7.234) 12.055 9.190 ( 4.001 -3.143 3.147) 5.983 9.252 ( -2.347 -4.158 2.311) 5.305 16.485 ( 41.563 7.666 1.911) 42.308 16.613 ( 42.420 11.480 -3.380) 44.075 17.022 ( 0.048 5.811 1.883) 6.109 17.148 ( 6.329 6.772 -4.190) 10.172 17.748 ( 1.651 -10.028 3.057) 10.612 17.875 ( 4.690 -6.670 -2.455) 8.515 18.256 ( -32.764 -11.385 0.428) 34.688 18.348 ( -29.856 -8.579 -2.917) 31.201 23.510 ( 10.287 4.851 13.968) 18.013 23.580 ( 4.724 5.310 12.338) 14.239 23.681 ( 2.247 8.892 5.443) 10.666 23.782 ( -7.360 3.636 10.284) 13.159 24.637 ( 15.734 -0.923 22.092) 27.138 24.815 ( 8.406 -3.061 12.149) 15.088 24.960 ( -1.892 -3.657 10.085) 10.893 25.093 ( -4.009 -0.546 7.375) 8.412 27.115 ( 2.020 5.472 14.087) 15.247 27.126 ( 1.691 7.480 16.290) 18.004 27.601 ( 11.255 0.838 -6.786) 13.169 27.700 ( 1.790 -2.390 -3.469) 4.577 29.194 ( 33.513 3.956 8.504) 34.801 29.438 ( 21.398 -3.436 15.793) 26.816 29.535 ( 58.621 -4.422 -1.743) 58.813 29.650 ( 27.985 0.762 25.009) 37.539 30.139 ( -1.015 2.173 36.699) 36.778 30.448 ( -13.255 -8.100 29.049) 32.942 30.520 ( -10.238 2.566 15.561) 18.803 30.780 ( -31.261 -0.137 10.624) 33.017 31.133 ( 27.018 -2.092 -5.411) 27.634 31.359 ( 7.207 -5.947 -9.765) 13.515 31.789 ( -34.433 -0.931 -11.864) 36.432 31.887 ( -43.383 -2.349 -12.139) 45.111 34.867 ( 58.472 8.471 18.648) 61.955 35.642 ( 46.009 -5.673 12.387) 47.984 35.878 ( 9.729 6.188 -16.937) 20.490 35.961 ( -40.746 7.347 0.477) 41.405 36.838 ( -13.898 5.721 -7.561) 16.824 37.181 ( -10.452 -12.843 -2.791) 16.792 37.250 ( 0.441 -11.219 -10.704) 15.513 37.972 ( -38.306 -19.313 -18.904) 46.880 39.954 ( -0.344 13.446 14.127) 19.506 39.993 ( -3.866 9.080 14.714) 17.717 40.513 ( 2.698 -0.969 -6.108) 6.747 40.588 ( -4.864 -0.343 -9.555) 10.727 40.746 ( 2.343 4.851 -0.244) 5.392 40.828 ( -6.159 1.938 1.636) 6.661 41.130 ( 2.845 -2.796 -12.383) 13.010 41.212 ( -5.774 -3.181 -12.827) 14.422 ======================= Grid point 242 (85/108) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.550 ( 0.000 10.012 25.421) 27.321 3.581 ( 0.000 1.152 27.067) 27.091 3.693 ( 0.000 -1.166 19.535) 19.569 3.894 ( 0.000 -12.938 23.940) 27.212 4.497 ( 0.000 6.877 -17.951) 19.223 4.611 ( 0.000 -3.543 -19.185) 19.510 4.668 ( 0.000 11.697 -20.801) 23.864 4.925 ( 0.000 -11.278 -20.927) 23.773 5.563 ( 0.000 4.067 2.139) 4.595 5.677 ( 0.000 -5.561 7.182) 9.083 5.773 ( 0.000 7.310 -6.434) 9.738 5.949 ( 0.000 -8.184 -4.317) 9.253 6.469 ( 0.000 6.142 20.505) 21.405 6.604 ( 0.000 -5.604 23.944) 24.591 7.111 ( 0.000 13.200 11.401) 17.442 7.362 ( 0.000 7.746 23.094) 24.359 7.436 ( 0.000 -15.007 -3.934) 15.514 7.570 ( 0.000 -11.889 25.444) 28.085 8.469 ( 0.000 4.117 -7.531) 8.583 8.503 ( 0.000 1.207 -0.854) 1.479 8.986 ( 0.000 5.080 -7.367) 8.948 8.990 ( 0.000 1.773 -25.922) 25.983 9.057 ( 0.000 -1.534 -15.162) 15.240 9.094 ( 0.000 -2.683 -14.896) 15.135 11.556 ( 0.000 20.560 37.018) 42.345 12.023 ( 0.000 -20.868 34.544) 40.358 13.299 ( 0.000 14.978 -47.821) 50.112 13.612 ( 0.000 -12.686 -42.731) 44.575 18.909 ( 0.000 6.550 30.137) 30.841 19.090 ( 0.000 -9.849 30.540) 32.088 19.591 ( 0.000 5.023 -2.636) 5.672 19.734 ( 0.000 -8.225 0.205) 8.228 20.778 ( 0.000 10.418 22.708) 24.984 20.851 ( 0.000 11.285 13.932) 17.929 20.984 ( 0.000 -8.091 24.712) 26.003 21.057 ( 0.000 -7.429 14.270) 16.088 22.991 ( 0.000 0.702 8.365) 8.394 22.997 ( 0.000 0.090 4.175) 4.176 23.457 ( 0.000 3.397 -18.108) 18.424 23.476 ( 0.000 1.400 -15.012) 15.077 25.813 ( 0.000 -3.896 24.584) 24.890 25.820 ( 0.000 -4.175 23.542) 23.909 26.703 ( 0.000 4.762 -17.979) 18.599 26.824 ( 0.000 -4.854 -21.528) 22.068 27.170 ( 0.000 5.734 19.071) 19.914 27.189 ( 0.000 5.323 17.714) 18.496 27.720 ( 0.000 13.865 -4.307) 14.519 27.902 ( 0.000 -2.207 -12.650) 12.841 30.261 ( 0.000 7.661 24.888) 26.040 30.537 ( 0.000 -17.367 29.923) 34.598 30.840 ( 0.000 12.120 -2.828) 12.445 31.170 ( 0.000 -16.816 9.371) 19.250 31.653 ( 0.000 0.011 63.246) 63.246 31.682 ( 0.000 -2.953 57.220) 57.296 32.809 ( 0.000 14.179 12.190) 18.699 33.105 ( 0.000 -12.657 12.402) 17.720 33.907 ( 0.000 4.356 -18.933) 19.427 33.998 ( 0.000 -3.885 -17.884) 18.301 34.524 ( 0.000 6.875 -53.678) 54.116 34.680 ( 0.000 -7.130 -56.004) 56.456 38.405 ( 0.000 16.851 15.105) 22.630 38.813 ( 0.000 14.370 -5.556) 15.407 38.854 ( 0.000 -23.652 13.096) 27.035 39.208 ( 0.000 -22.200 -4.263) 22.605 40.511 ( 0.000 2.918 10.013) 10.429 40.565 ( 0.000 -1.854 6.643) 6.897 40.840 ( 0.000 6.524 -5.888) 8.788 40.950 ( 0.000 -3.974 -10.099) 10.853 41.230 ( 0.000 9.499 3.613) 10.163 41.419 ( 0.000 -7.355 5.041) 8.917 41.610 ( 0.000 12.931 -15.429) 20.131 41.818 ( 0.000 -6.590 -15.274) 16.635 ======================= Grid point 243 (86/108) ======================= q-point: ( 0.09 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( 2.745 6.984 24.819) 25.929 3.649 ( 3.933 -2.092 21.258) 21.720 3.766 ( 7.402 1.520 22.398) 23.638 3.922 ( 2.698 -10.399 22.088) 24.562 4.507 ( 0.642 4.214 -16.639) 17.176 4.539 ( -3.233 2.484 -18.046) 18.501 4.760 ( 5.133 5.457 -18.864) 20.297 4.939 ( 1.978 -9.299 -20.704) 22.783 5.550 ( -1.656 5.418 2.200) 6.077 5.631 ( -4.369 1.465 4.382) 6.359 5.800 ( 1.115 -2.410 -2.636) 3.742 5.879 ( -7.043 -6.138 0.158) 9.344 6.404 ( -5.592 9.257 15.229) 18.679 6.592 ( -1.261 -6.441 16.242) 17.518 7.049 ( -7.028 11.061 -1.874) 13.239 7.248 ( -9.395 1.065 7.682) 12.182 7.435 ( -0.700 -3.949 15.014) 15.541 7.635 ( 7.599 -15.163 32.894) 37.009 8.478 ( 1.656 6.940 -3.538) 7.964 8.579 ( 5.904 -1.949 -4.609) 7.739 8.968 ( -1.601 3.307 -19.634) 19.975 8.994 ( 0.949 1.896 -7.921) 8.199 9.038 ( -3.188 0.770 -14.224) 14.598 9.085 ( 0.103 -3.885 -14.566) 15.076 12.090 ( 50.814 14.295 29.964) 60.698 12.424 ( 39.571 -15.353 29.287) 51.568 13.613 ( 30.447 11.069 -43.674) 54.378 13.839 ( 22.848 -8.925 -39.353) 46.372 18.946 ( 1.918 6.478 27.663) 28.476 19.119 ( 0.730 -9.072 27.968) 29.412 19.567 ( -4.056 6.272 -1.310) 7.583 19.733 ( -3.600 -8.731 -0.837) 9.481 21.220 ( 42.414 8.129 23.517) 49.174 21.239 ( 39.010 9.107 18.765) 44.236 21.423 ( 47.262 -5.570 22.232) 52.526 21.473 ( 45.705 -7.344 14.424) 48.486 23.027 ( 5.072 2.849 7.289) 9.325 23.075 ( 7.231 -1.418 5.661) 9.292 23.499 ( 4.485 4.158 -16.566) 17.659 23.538 ( 6.084 0.458 -16.181) 17.293 25.758 ( -3.483 -0.529 24.990) 25.237 25.833 ( 0.030 -7.117 25.802) 26.766 26.709 ( 0.908 4.980 -18.370) 19.055 26.846 ( 2.350 -6.034 -20.858) 21.840 27.207 ( 3.576 6.519 19.666) 21.024 27.222 ( 3.819 6.106 17.653) 19.066 27.826 ( 10.692 12.284 -8.217) 18.241 27.993 ( 8.915 -2.177 -14.645) 17.282 30.252 ( -0.747 7.517 25.897) 26.976 30.523 ( -1.424 -16.825 30.315) 34.700 30.879 ( 3.149 11.504 -6.743) 13.701 31.206 ( 2.566 -17.307 1.701) 17.579 31.670 ( 1.876 -0.067 64.781) 64.808 31.689 ( 1.643 -1.882 63.008) 63.058 32.750 ( -5.462 14.318 13.461) 20.397 33.049 ( -5.131 -12.804 13.058) 18.994 33.838 ( -6.756 3.694 -18.595) 20.126 33.917 ( -7.925 -3.480 -18.452) 20.382 34.608 ( 8.366 7.622 -52.505) 53.711 34.781 ( 9.967 -7.918 -54.071) 55.550 38.356 ( -5.138 17.076 14.397) 22.918 38.726 ( -8.699 11.953 -3.267) 15.140 38.818 ( -4.097 -21.479 10.969) 24.463 39.130 ( -8.197 -22.060 -3.288) 23.762 40.485 ( -2.555 3.428 10.024) 10.898 40.550 ( -1.539 -2.305 6.936) 7.469 40.828 ( -1.302 7.084 -5.944) 9.339 40.939 ( -1.276 -3.477 -10.416) 11.055 41.180 ( -4.813 8.885 3.104) 10.571 41.360 ( -5.919 -6.480 4.608) 9.913 41.547 ( -6.033 12.430 -14.405) 19.960 41.761 ( -5.710 -6.984 -14.939) 17.452 ======================= Grid point 244 (87/108) ======================= q-point: ( 0.18 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( 7.456 4.002 20.466) 22.146 3.733 ( 5.148 -3.009 17.161) 18.168 3.936 ( 8.668 -0.874 18.190) 20.169 4.000 ( 6.219 -6.587 19.836) 21.807 4.489 ( -1.360 2.242 -13.465) 13.718 4.522 ( -0.188 0.157 -11.990) 11.993 4.842 ( 3.900 7.057 -17.065) 18.874 5.014 ( 5.172 -7.890 -19.423) 21.593 5.457 ( -9.661 5.986 4.674) 12.289 5.520 ( -6.389 3.677 3.572) 8.192 5.669 ( -11.549 -0.941 4.721) 12.512 5.810 ( -1.918 -10.107 -2.124) 10.505 6.272 ( -8.721 14.672 4.805) 17.732 6.534 ( -5.598 -3.035 3.408) 7.222 6.855 ( -11.978 1.397 -11.299) 16.526 7.035 ( -11.084 -7.214 -6.519) 14.745 7.493 ( 7.275 10.597 33.703) 36.071 7.839 ( 12.688 -17.624 30.085) 37.104 8.519 ( 2.041 9.916 -1.259) 10.201 8.684 ( 4.072 -4.768 -6.845) 9.282 8.945 ( -1.929 5.626 -17.055) 18.062 8.953 ( -3.153 3.675 -6.940) 8.462 9.025 ( 1.926 -2.722 -4.518) 5.615 9.093 ( 0.515 -5.705 -11.367) 12.729 13.286 ( 66.482 6.625 18.003) 69.194 13.457 ( 64.703 -8.492 18.004) 67.696 14.353 ( 42.124 6.480 -33.303) 54.088 14.475 ( 42.752 -4.389 -31.389) 53.219 18.912 ( -6.326 5.527 21.539) 23.119 19.034 ( -10.464 -4.512 21.206) 24.074 19.414 ( -11.529 3.337 0.498) 12.013 19.548 ( -14.912 -7.772 -0.670) 16.829 22.176 ( 51.639 2.987 33.261) 61.496 22.204 ( 54.366 0.927 35.892) 65.152 22.756 ( 78.144 0.745 5.667) 78.353 22.794 ( 81.522 -2.241 4.583) 81.682 23.229 ( 19.099 5.279 8.122) 21.415 23.308 ( 20.126 -2.142 7.737) 21.668 23.644 ( 12.335 4.797 -13.554) 18.944 23.708 ( 12.026 -1.061 -15.463) 19.618 25.734 ( 3.811 1.843 28.179) 28.495 25.854 ( 4.133 -8.729 29.314) 30.864 26.761 ( 5.255 4.969 -17.902) 19.307 26.913 ( 4.576 -7.694 -19.260) 21.239 27.308 ( 7.262 8.713 21.795) 24.570 27.347 ( 8.836 5.727 18.109) 20.948 28.115 ( 18.664 8.555 -15.424) 25.680 28.227 ( 14.857 -0.993 -18.902) 24.063 30.237 ( -0.745 6.833 27.886) 28.720 30.484 ( -2.562 -15.483 30.570) 34.363 30.917 ( -0.054 9.442 -10.696) 14.267 31.203 ( -3.989 -15.648 -5.108) 16.937 31.728 ( 2.575 -0.040 57.666) 57.723 31.747 ( 2.117 -1.578 60.161) 60.219 32.667 ( 0.419 14.306 19.298) 24.026 32.963 ( -1.630 -12.218 13.173) 18.040 33.667 ( -9.820 1.317 -12.455) 15.915 33.708 ( -13.164 -2.203 -16.123) 20.931 34.839 ( 15.371 9.239 -49.839) 52.968 35.051 ( 17.782 -9.789 -50.875) 54.775 38.205 ( -10.569 17.641 11.886) 23.752 38.472 ( -17.807 13.729 -1.870) 22.563 38.688 ( -9.542 -23.889 9.511) 27.426 38.881 ( -17.744 -21.390 -0.650) 27.800 40.418 ( -4.144 4.591 10.331) 12.041 40.508 ( -2.717 -3.275 7.325) 8.471 40.777 ( -4.785 9.578 -4.433) 11.588 40.887 ( -4.261 -0.792 -10.257) 11.135 41.075 ( -4.795 4.566 -0.126) 6.623 41.204 ( -9.539 -4.067 3.409) 10.916 41.397 ( -8.959 10.395 -12.406) 18.499 41.610 ( -9.362 -7.632 -14.279) 18.703 ======================= Grid point 245 (88/108) ======================= q-point: ( 0.27 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.820 ( 8.876 1.697 13.769) 16.470 3.859 ( 8.145 -1.272 13.239) 15.596 4.067 ( 6.070 0.531 8.660) 10.589 4.183 ( 10.574 -9.240 15.261) 20.738 4.479 ( 0.839 1.981 -4.882) 5.335 4.517 ( 0.417 -1.502 -5.234) 5.461 4.915 ( 2.718 8.619 -15.859) 18.253 5.093 ( 1.075 -5.571 -12.858) 14.054 5.213 ( -13.488 3.033 6.168) 15.139 5.328 ( -12.892 -4.024 5.985) 14.772 5.498 ( -6.002 9.930 0.222) 11.605 5.757 ( -2.280 -11.919 -7.428) 14.228 6.047 ( -13.430 15.626 0.772) 20.618 6.367 ( -11.748 -3.610 -2.720) 12.587 6.595 ( -13.816 1.106 -13.062) 19.046 6.870 ( -6.826 -14.388 -12.924) 20.509 7.697 ( 13.019 17.662 30.516) 37.585 8.103 ( 13.920 -16.819 24.230) 32.615 8.545 ( 0.468 11.910 1.880) 12.066 8.725 ( 0.259 -2.867 -8.936) 9.389 8.867 ( -3.103 10.376 -6.155) 12.457 8.969 ( 2.087 -0.018 -4.593) 5.045 9.051 ( 0.284 -5.247 -2.530) 5.832 9.105 ( 0.618 -8.019 -6.781) 10.520 14.556 ( 64.107 9.319 9.293) 65.444 14.780 ( 67.361 -10.458 8.356) 68.678 15.207 ( 46.618 9.901 -22.142) 52.550 15.409 ( 50.718 -7.971 -21.864) 55.802 18.693 ( -16.243 3.771 15.177) 22.548 18.720 ( -21.319 2.015 15.145) 26.228 19.123 ( -18.701 -2.819 0.042) 18.913 19.177 ( -23.027 -6.855 -1.355) 24.064 22.960 ( 26.475 3.076 29.914) 40.065 23.035 ( 27.456 -3.220 32.118) 42.377 23.602 ( 21.367 8.845 1.312) 23.162 23.721 ( 27.605 0.685 14.129) 31.018 23.819 ( 23.498 6.796 5.947) 25.174 23.915 ( 25.153 -1.949 -4.782) 25.677 24.383 ( 51.451 1.036 -3.812) 51.602 24.467 ( 52.075 -5.757 -3.414) 52.503 26.139 ( 45.416 1.006 26.536) 52.610 26.211 ( 43.304 -5.500 26.447) 51.039 26.936 ( 12.874 3.034 -9.434) 16.246 27.035 ( 8.654 -5.522 -14.621) 17.865 27.507 ( 14.518 8.758 24.589) 29.868 27.577 ( 16.652 2.670 22.367) 28.013 28.531 ( 22.889 4.987 -17.595) 29.298 28.569 ( 21.737 1.757 -19.346) 29.152 30.224 ( -0.676 4.939 30.014) 30.425 30.423 ( -3.733 -13.239 29.829) 32.848 30.879 ( -3.055 5.740 -7.764) 10.127 31.066 ( -9.071 -10.113 0.886) 13.614 31.621 ( -14.468 0.596 32.157) 35.267 31.668 ( -11.821 -3.079 39.783) 41.616 32.834 ( 8.412 7.052 7.248) 13.154 32.947 ( -8.116 -2.928 -10.149) 13.321 33.488 ( -0.360 4.649 7.144) 8.531 33.645 ( 16.789 -9.108 20.758) 28.208 35.199 ( 21.709 11.382 -45.289) 51.497 35.465 ( 24.728 -12.371 -46.327) 53.951 37.931 ( -19.187 17.599 7.066) 26.978 38.033 ( -26.354 15.935 0.337) 30.799 38.398 ( -26.130 -23.023 6.272) 35.387 38.470 ( -19.551 -23.041 1.890) 30.277 40.332 ( -4.502 6.117 10.884) 13.272 40.452 ( -2.764 -4.460 7.434) 9.099 40.618 ( -10.852 13.732 0.911) 17.526 40.790 ( -5.936 -1.575 -8.851) 10.773 40.997 ( -5.199 1.891 -0.947) 5.612 41.042 ( -4.503 -2.946 -3.582) 6.465 41.217 ( -9.147 8.511 -11.461) 16.955 41.417 ( -10.089 -7.794 -13.754) 18.754 ======================= Grid point 246 (89/108) ======================= q-point: ( 0.36 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( 10.655 1.471 7.147) 12.914 4.049 ( 11.120 -1.597 6.736) 13.099 4.186 ( 6.304 4.119 2.897) 8.068 4.335 ( 4.931 -7.208 -0.708) 8.762 4.514 ( 0.888 0.887 0.847) 1.514 4.564 ( 2.747 -4.028 6.022) 7.748 4.885 ( -6.970 6.640 -12.234) 15.567 4.971 ( -6.768 5.572 12.283) 15.090 5.035 ( -10.199 -6.029 -12.266) 17.054 5.116 ( -4.862 -6.527 9.688) 12.653 5.394 ( -5.904 14.867 4.466) 16.608 5.728 ( -3.312 -5.632 -11.766) 13.458 5.865 ( -3.129 0.622 0.382) 3.213 6.119 ( -9.290 -8.045 -8.017) 14.673 6.350 ( -11.780 9.110 -18.387) 23.661 6.716 ( -9.816 -18.724 -18.289) 27.954 7.966 ( 13.992 19.841 23.436) 33.744 8.352 ( 10.846 -9.984 16.836) 22.378 8.529 ( -2.044 11.341 6.200) 13.086 8.707 ( -1.809 0.707 -6.439) 6.725 8.839 ( 0.319 11.079 -0.866) 11.117 9.013 ( 1.295 -5.040 -0.394) 5.219 9.036 ( -0.883 -5.345 -0.537) 5.444 9.110 ( -0.162 -9.786 -3.343) 10.342 15.736 ( 56.695 11.753 4.700) 58.091 15.954 ( 52.718 -1.863 2.288) 52.801 16.169 ( 52.108 3.280 -11.572) 53.478 16.381 ( 48.760 -9.752 -13.450) 51.512 18.225 ( -29.456 5.808 10.893) 31.938 18.288 ( -25.479 1.926 9.715) 27.336 18.654 ( -30.152 -6.189 -2.635) 30.894 18.692 ( -26.650 -7.949 -2.747) 27.945 23.343 ( 16.213 4.195 21.591) 27.325 23.420 ( 15.772 -2.122 21.924) 27.091 23.823 ( 5.713 9.013 -2.139) 10.884 23.926 ( 1.481 -0.079 4.412) 4.654 24.379 ( 23.219 6.312 23.824) 33.861 24.438 ( 22.966 -0.063 13.784) 26.785 24.878 ( 5.942 -2.120 2.398) 6.749 24.954 ( 9.259 -6.515 1.762) 11.458 27.043 ( 25.220 7.043 6.632) 27.011 27.193 ( 18.748 2.021 7.132) 20.161 27.273 ( 27.523 -5.843 5.461) 28.661 27.303 ( 20.586 -0.840 -2.766) 20.788 28.132 ( 62.784 5.701 19.838) 66.090 28.240 ( 58.583 -3.116 26.404) 64.334 28.974 ( 24.182 7.597 -10.529) 27.447 29.083 ( 28.737 -1.455 -4.480) 29.120 30.201 ( -2.070 2.503 33.043) 33.203 30.345 ( -4.124 -10.933 29.684) 31.901 30.840 ( -0.691 1.581 0.785) 1.895 30.894 ( -7.029 -1.575 7.568) 10.448 31.245 ( -22.000 0.712 16.149) 27.300 31.335 ( -19.291 -6.355 18.069) 27.185 32.511 ( -31.960 2.444 -20.286) 37.934 32.572 ( -31.289 -2.951 -19.176) 36.816 34.046 ( 49.158 13.682 30.257) 59.323 34.359 ( 50.713 -14.272 28.371) 59.836 35.667 ( 25.825 13.643 -37.348) 47.412 35.987 ( 27.419 -14.832 -38.242) 49.338 37.340 ( -37.565 14.794 5.364) 40.728 37.574 ( -23.894 18.556 -3.065) 30.408 37.724 ( -40.874 -19.050 8.259) 45.845 38.061 ( -25.034 -25.178 -4.721) 35.818 40.254 ( -3.296 8.111 11.311) 14.304 40.403 ( -7.136 8.369 6.497) 12.774 40.416 ( -3.894 0.567 6.121) 7.277 40.645 ( -8.445 -6.502 -1.818) 10.812 40.911 ( -2.479 5.788 -4.797) 7.916 41.006 ( -1.209 -1.527 -9.426) 9.625 41.062 ( -6.012 5.238 -11.388) 13.902 41.236 ( -8.236 -7.346 -13.344) 17.316 ======================= Grid point 247 (90/108) ======================= q-point: ( 0.45 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.222 ( 10.849 0.767 2.092) 11.075 4.256 ( 8.892 -2.267 1.032) 9.234 4.328 ( 6.171 3.626 0.511) 7.176 4.388 ( -2.353 -2.161 -2.520) 4.069 4.489 ( 0.087 2.662 0.822) 2.788 4.545 ( 1.616 -1.330 -0.963) 2.304 4.691 ( -11.866 2.702 -6.343) 13.723 4.721 ( -15.699 0.756 -7.230) 17.301 5.031 ( 7.181 4.041 11.605) 14.232 5.210 ( 1.145 0.701 11.945) 12.021 5.234 ( 2.300 -3.005 14.422) 14.910 5.548 ( -16.449 -16.720 9.796) 25.419 5.875 ( 7.592 13.400 -15.012) 21.507 6.069 ( -8.911 14.625 -19.879) 26.239 6.241 ( 8.968 -15.431 -21.881) 28.237 6.487 ( -13.318 -19.521 -21.452) 31.915 8.218 ( 11.581 19.577 16.621) 28.172 8.399 ( -6.474 17.497 11.158) 21.738 8.566 ( 6.058 -5.557 8.143) 11.571 8.658 ( -3.385 0.699 0.017) 3.456 8.880 ( 3.676 4.455 2.093) 6.143 8.963 ( -4.250 -3.342 2.651) 6.022 9.068 ( 1.986 -7.829 -0.522) 8.094 9.098 ( -1.113 -9.647 -1.335) 9.802 16.725 ( 44.961 13.035 5.063) 47.086 16.874 ( 42.705 7.010 2.355) 43.340 17.105 ( 37.800 1.971 -4.149) 38.078 17.244 ( 34.439 -2.605 -6.063) 35.066 17.611 ( -29.014 1.913 5.554) 29.602 17.737 ( -25.990 -4.446 2.945) 26.531 18.001 ( -36.721 -7.610 -4.555) 37.777 18.102 ( -33.969 -12.136 -5.940) 36.558 23.626 ( 12.889 5.170 17.777) 22.558 23.682 ( 10.733 1.501 17.105) 20.250 23.844 ( -4.310 4.026 9.570) 11.241 23.857 ( -6.748 2.905 12.361) 14.380 24.686 ( 10.478 4.858 13.059) 17.434 24.779 ( 10.025 -0.742 6.252) 11.838 24.866 ( -1.256 -1.677 3.642) 4.202 24.996 ( -4.518 -8.010 1.970) 9.405 27.298 ( 7.484 11.680 13.321) 19.233 27.360 ( 1.691 11.342 15.929) 19.627 27.556 ( 6.955 -7.401 6.912) 12.285 27.570 ( 5.449 -8.054 6.290) 11.581 29.318 ( 33.034 5.146 7.315) 34.223 29.393 ( 38.748 -1.731 3.192) 38.918 29.448 ( 27.881 0.996 4.764) 28.303 29.595 ( 20.025 -6.571 11.346) 23.936 30.202 ( 9.197 3.481 32.852) 34.292 30.292 ( 2.050 -5.236 33.079) 33.554 30.606 ( -20.762 4.774 26.247) 33.805 30.718 ( -26.351 -4.918 21.626) 34.442 31.117 ( 22.731 1.565 -10.797) 25.214 31.211 ( 13.660 -6.550 -11.503) 19.021 31.785 ( -39.717 0.915 -14.276) 42.215 31.828 ( -42.643 -2.708 -14.126) 45.003 35.117 ( 57.627 13.814 18.303) 62.022 35.425 ( 54.820 -13.335 17.171) 58.974 36.064 ( -3.471 8.840 -13.289) 16.334 36.125 ( -26.483 4.853 -5.808) 27.543 36.910 ( -4.187 -7.303 -5.357) 9.978 36.971 ( -7.599 -11.399 -6.479) 15.155 37.078 ( -25.304 15.350 -11.708) 31.827 37.500 ( -31.881 -22.099 -14.909) 41.558 40.218 ( -0.114 10.642 10.989) 15.298 40.261 ( -4.847 13.267 9.147) 16.827 40.418 ( 2.062 -7.296 6.022) 9.683 40.498 ( -6.120 -7.981 3.434) 10.627 40.896 ( 0.798 7.322 -8.901) 11.553 40.940 ( -3.715 7.696 -10.571) 13.593 41.039 ( 1.888 -5.437 -11.679) 13.020 41.107 ( -5.090 -6.539 -12.731) 15.190 ======================= Grid point 275 (91/108) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.785 ( 0.000 0.000 -21.176) 21.176 3.785 ( 0.000 0.000 21.176) 21.176 4.070 ( 0.000 0.000 -3.740) 3.740 4.070 ( 0.000 0.000 3.740) 3.740 4.184 ( 0.000 0.000 -25.432) 25.432 4.184 ( 0.000 0.000 25.432) 25.432 4.763 ( 0.000 0.000 -25.074) 25.074 4.763 ( 0.000 0.000 25.074) 25.074 5.505 ( 0.000 0.000 -1.112) 1.112 5.505 ( 0.000 0.000 1.112) 1.112 6.021 ( 0.000 0.000 -9.323) 9.323 6.021 ( 0.000 0.000 9.323) 9.323 6.694 ( 0.000 0.000 -15.925) 15.925 6.694 ( 0.000 0.000 15.925) 15.925 7.283 ( 0.000 0.000 -27.362) 27.362 7.283 ( 0.000 0.000 27.362) 27.362 8.078 ( 0.000 0.000 -45.587) 45.587 8.078 ( 0.000 0.000 45.587) 45.587 8.225 ( 0.000 0.000 -1.889) 1.889 8.225 ( 0.000 0.000 1.889) 1.889 8.712 ( 0.000 0.000 -19.420) 19.420 8.712 ( 0.000 0.000 19.420) 19.420 8.914 ( 0.000 0.000 -9.059) 9.059 8.914 ( 0.000 0.000 9.059) 9.059 11.905 ( 0.000 0.000 -45.041) 45.041 11.905 ( 0.000 0.000 45.041) 45.041 13.198 ( 0.000 0.000 -32.871) 32.871 13.198 ( 0.000 0.000 32.871) 32.871 19.233 ( 0.000 0.000 -17.058) 17.058 19.233 ( 0.000 0.000 17.058) 17.058 19.874 ( 0.000 0.000 -15.899) 15.899 19.874 ( 0.000 0.000 15.899) 15.899 20.652 ( 0.000 0.000 -0.782) 0.782 20.652 ( 0.000 0.000 0.782) 0.782 21.401 ( 0.000 0.000 -1.362) 1.362 21.401 ( 0.000 0.000 1.362) 1.362 23.023 ( 0.000 0.000 -5.067) 5.067 23.023 ( 0.000 0.000 5.067) 5.067 23.204 ( 0.000 0.000 -9.461) 9.461 23.204 ( 0.000 0.000 9.461) 9.461 26.419 ( 0.000 0.000 -12.413) 12.413 26.419 ( 0.000 0.000 12.413) 12.413 26.553 ( 0.000 0.000 -13.325) 13.325 26.553 ( 0.000 0.000 13.325) 13.325 27.104 ( 0.000 0.000 -7.940) 7.940 27.104 ( 0.000 0.000 7.940) 7.940 27.274 ( 0.000 0.000 -18.988) 18.988 27.274 ( 0.000 0.000 18.988) 18.988 30.477 ( 0.000 0.000 -9.974) 9.974 30.477 ( 0.000 0.000 9.974) 9.974 31.708 ( 0.000 0.000 -22.484) 22.484 31.708 ( 0.000 0.000 22.484) 22.484 32.661 ( 0.000 0.000 -2.247) 2.247 32.661 ( 0.000 0.000 2.247) 2.247 33.026 ( 0.000 0.000 -63.853) 63.853 33.026 ( 0.000 0.000 63.853) 63.853 33.670 ( 0.000 0.000 -39.155) 39.155 33.670 ( 0.000 0.000 39.155) 39.155 33.777 ( 0.000 0.000 -14.796) 14.796 33.777 ( 0.000 0.000 14.796) 14.796 38.320 ( 0.000 0.000 -11.039) 11.039 38.320 ( 0.000 0.000 11.039) 11.039 39.976 ( 0.000 0.000 -17.623) 17.623 39.976 ( 0.000 0.000 17.623) 17.623 40.442 ( 0.000 0.000 -1.364) 1.364 40.442 ( 0.000 0.000 1.364) 1.364 40.736 ( 0.000 0.000 -15.642) 15.642 40.736 ( 0.000 0.000 15.642) 15.642 40.960 ( 0.000 0.000 -5.645) 5.645 40.960 ( 0.000 0.000 5.645) 5.645 41.707 ( 0.000 0.000 -8.452) 8.452 41.707 ( 0.000 0.000 8.452) 8.452 ======================= Grid point 277 (92/108) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.837 ( 4.604 0.000 -16.867) 17.484 3.837 ( 4.604 0.000 16.867) 17.484 4.089 ( 2.307 0.000 -3.763) 4.414 4.089 ( 2.307 0.000 3.763) 4.414 4.273 ( 8.202 0.000 -21.841) 23.330 4.273 ( 8.202 0.000 21.841) 23.330 4.753 ( -0.509 0.000 -24.288) 24.293 4.753 ( -0.509 0.000 24.288) 24.293 5.450 ( -5.178 0.000 -1.380) 5.358 5.450 ( -5.178 0.000 1.380) 5.358 6.008 ( -2.474 0.000 -6.348) 6.813 6.008 ( -2.474 0.000 6.348) 6.813 6.493 ( -17.387 0.000 -12.514) 21.422 6.493 ( -17.387 0.000 12.514) 21.422 7.261 ( -2.057 0.000 -15.420) 15.556 7.261 ( -2.057 0.000 15.420) 15.556 8.083 ( 0.671 0.000 -38.732) 38.738 8.083 ( 0.671 0.000 38.732) 38.738 8.312 ( 4.756 0.000 -8.883) 10.076 8.312 ( 4.756 0.000 8.883) 10.076 8.659 ( -1.595 0.000 -13.402) 13.496 8.659 ( -1.595 0.000 13.402) 13.496 8.995 ( 6.595 0.000 -7.278) 9.822 8.995 ( 6.595 0.000 7.278) 9.822 12.440 ( 50.390 0.000 -38.265) 63.272 12.440 ( 50.390 0.000 38.265) 63.272 13.396 ( 20.916 0.000 -29.471) 36.139 13.396 ( 20.916 0.000 29.471) 36.139 19.217 ( -3.188 0.000 -14.391) 14.740 19.217 ( -3.188 0.000 14.391) 14.740 19.829 ( -5.103 0.000 -13.774) 14.689 19.829 ( -5.103 0.000 13.774) 14.689 21.170 ( 51.260 0.000 -0.582) 51.263 21.170 ( 51.260 0.000 0.582) 51.263 21.813 ( 42.076 0.000 -0.245) 42.076 21.813 ( 42.076 0.000 0.245) 42.076 23.060 ( 4.075 0.000 -6.232) 7.446 23.060 ( 4.075 0.000 6.232) 7.446 23.266 ( 6.420 0.000 -9.255) 11.264 23.266 ( 6.420 0.000 9.255) 11.264 26.297 ( -7.073 0.000 -9.294) 11.680 26.297 ( -7.073 0.000 9.294) 11.680 26.686 ( 9.503 0.000 -5.550) 11.005 26.686 ( 9.503 0.000 5.550) 11.005 27.183 ( 5.090 0.000 -3.040) 5.929 27.183 ( 5.090 0.000 3.040) 5.929 27.311 ( 6.090 0.000 -24.393) 25.141 27.311 ( 6.090 0.000 24.393) 25.141 30.493 ( 1.576 0.000 -11.074) 11.186 30.493 ( 1.576 0.000 11.074) 11.186 31.672 ( -3.814 0.000 -22.527) 22.847 31.672 ( -3.814 0.000 22.527) 22.847 32.610 ( -5.336 0.000 -7.908) 9.539 32.610 ( -5.336 0.000 7.908) 9.539 33.057 ( 2.317 0.000 -53.052) 53.103 33.057 ( 2.317 0.000 53.052) 53.103 33.590 ( -4.801 0.000 -14.746) 15.508 33.590 ( -4.801 0.000 14.746) 15.508 33.905 ( 11.037 0.000 -34.830) 36.537 33.905 ( 11.037 0.000 34.830) 36.537 38.246 ( -7.627 0.000 -10.253) 12.778 38.246 ( -7.627 0.000 10.253) 12.778 39.959 ( -2.136 0.000 -17.082) 17.215 39.959 ( -2.136 0.000 17.082) 17.215 40.364 ( -7.975 0.000 -2.908) 8.489 40.364 ( -7.975 0.000 2.908) 8.489 40.699 ( -3.908 0.000 -15.446) 15.933 40.699 ( -3.908 0.000 15.446) 15.933 40.935 ( -2.013 0.000 -7.379) 7.649 40.935 ( -2.013 0.000 7.379) 7.649 41.660 ( -4.707 0.000 -8.417) 9.644 41.660 ( -4.707 0.000 8.417) 9.644 ======================= Grid point 279 (93/108) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.928 ( 4.270 0.000 -6.629) 7.885 3.928 ( 4.270 0.000 6.629) 7.885 4.156 ( 4.136 0.000 -7.785) 8.815 4.156 ( 4.136 0.000 7.785) 8.815 4.435 ( 6.072 0.000 -15.077) 16.254 4.435 ( 6.072 0.000 15.077) 16.254 4.795 ( 6.891 0.000 -23.997) 24.967 4.795 ( 6.891 0.000 23.997) 24.967 5.332 ( -6.316 0.000 -3.207) 7.084 5.332 ( -6.316 0.000 3.207) 7.084 5.846 ( -15.932 0.000 -8.100) 17.873 5.846 ( -15.932 0.000 8.100) 17.873 6.166 ( -13.666 0.000 -1.559) 13.755 6.166 ( -13.666 0.000 1.559) 13.755 7.233 ( -0.346 0.000 -0.048) 0.350 7.233 ( -0.346 0.000 0.048) 0.350 8.100 ( 0.853 0.000 -26.995) 27.008 8.100 ( 0.853 0.000 26.995) 27.008 8.250 ( -9.831 0.000 -17.117) 19.739 8.250 ( -9.831 0.000 17.117) 19.739 8.757 ( 9.535 0.000 -5.954) 11.241 8.757 ( 9.535 0.000 5.954) 11.241 9.138 ( 7.749 0.000 -1.913) 7.982 9.138 ( 7.749 0.000 1.913) 7.982 13.562 ( 56.585 0.000 -24.888) 61.816 13.562 ( 56.585 0.000 24.888) 61.816 14.067 ( 51.050 0.000 -21.005) 55.203 14.067 ( 51.050 0.000 21.005) 55.203 19.061 ( -13.254 0.000 -7.557) 15.257 19.061 ( -13.254 0.000 7.557) 15.257 19.669 ( -11.482 0.000 -7.814) 13.889 19.669 ( -11.482 0.000 7.814) 13.889 22.437 ( 70.169 0.000 -1.590) 70.187 22.437 ( 70.169 0.000 1.590) 70.187 22.881 ( 56.740 0.000 -0.824) 56.746 22.881 ( 56.740 0.000 0.824) 56.746 23.212 ( 14.346 0.000 -10.360) 17.696 23.212 ( 14.346 0.000 10.360) 17.696 23.496 ( 23.227 0.000 -5.227) 23.808 23.496 ( 23.227 0.000 5.227) 23.808 26.250 ( 4.942 0.000 -13.539) 14.412 26.250 ( 4.942 0.000 13.539) 14.412 26.894 ( 11.616 0.000 -4.864) 12.593 26.894 ( 11.616 0.000 4.864) 12.593 27.244 ( 3.680 0.000 -5.172) 6.348 27.244 ( 3.680 0.000 5.172) 6.348 27.557 ( 17.923 0.000 -8.952) 20.035 27.557 ( 17.923 0.000 8.952) 20.035 30.535 ( 2.778 0.000 -12.975) 13.269 30.535 ( 2.778 0.000 12.975) 13.269 31.553 ( -8.665 0.000 -21.319) 23.013 31.553 ( -8.665 0.000 21.319) 23.013 32.449 ( -11.579 0.000 -18.840) 22.114 32.449 ( -11.579 0.000 18.840) 22.114 33.027 ( -8.254 0.000 -8.195) 11.631 33.027 ( -8.254 0.000 8.195) 11.631 33.593 ( 8.115 0.000 -30.586) 31.644 33.593 ( 8.115 0.000 30.586) 31.644 34.211 ( 21.206 0.000 -47.595) 52.106 34.211 ( 21.206 0.000 47.595) 52.106 38.021 ( -15.808 0.000 -7.653) 17.563 38.021 ( -15.808 0.000 7.653) 17.563 39.835 ( -13.731 0.000 -13.195) 19.043 39.835 ( -13.731 0.000 13.195) 19.043 40.178 ( -8.337 0.000 -10.854) 13.686 40.178 ( -8.337 0.000 10.854) 13.686 40.596 ( -6.190 0.000 -15.299) 16.504 40.596 ( -6.190 0.000 15.299) 16.504 40.901 ( -1.381 0.000 -9.772) 9.869 40.901 ( -1.381 0.000 9.772) 9.869 41.531 ( -8.377 0.000 -8.395) 11.859 41.531 ( -8.377 0.000 8.395) 11.859 ======================= Grid point 281 (94/108) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 3.923 0.000 -1.111) 4.077 4.004 ( 3.923 0.000 1.111) 4.077 4.229 ( 3.166 0.000 -8.483) 9.055 4.229 ( 3.166 0.000 8.483) 9.055 4.488 ( 1.043 0.000 -8.584) 8.647 4.488 ( 1.043 0.000 8.584) 8.647 4.991 ( 8.465 0.000 -15.332) 17.514 4.991 ( 8.465 0.000 15.332) 17.514 5.220 ( -6.720 0.000 -7.753) 10.260 5.220 ( -6.720 0.000 7.753) 10.260 5.493 ( -14.037 0.000 -8.922) 16.633 5.493 ( -14.037 0.000 8.922) 16.633 5.948 ( -9.265 0.000 -9.082) 12.974 5.948 ( -9.265 0.000 9.082) 12.974 7.230 ( -1.485 0.000 -3.409) 3.718 7.230 ( -1.485 0.000 3.409) 3.718 8.023 ( -10.600 0.000 -16.887) 19.938 8.023 ( -10.600 0.000 16.887) 19.938 8.115 ( -0.582 0.000 -24.033) 24.040 8.115 ( -0.582 0.000 24.033) 24.040 8.945 ( 9.353 0.000 -5.959) 11.090 8.945 ( 9.353 0.000 5.959) 11.090 9.272 ( 5.511 0.000 -1.407) 5.687 9.272 ( 5.511 0.000 1.407) 5.687 14.553 ( 49.430 0.000 -12.844) 51.072 14.553 ( 49.430 0.000 12.844) 51.072 15.258 ( 64.385 0.000 -11.543) 65.411 15.258 ( 64.385 0.000 11.543) 65.411 18.712 ( -22.244 0.000 -1.360) 22.285 18.712 ( -22.244 0.000 1.360) 22.285 19.381 ( -18.327 0.000 -2.606) 18.512 19.381 ( -18.327 0.000 2.606) 18.512 23.190 ( 13.586 0.000 -1.183) 13.637 23.190 ( 13.586 0.000 1.183) 13.637 23.524 ( 12.108 0.000 -15.453) 19.632 23.524 ( 12.108 0.000 15.453) 19.632 23.887 ( 50.516 0.000 -5.449) 50.809 23.887 ( 50.516 0.000 5.449) 50.809 24.460 ( 55.909 0.000 -8.435) 56.542 24.460 ( 55.909 0.000 8.435) 56.542 26.603 ( 31.530 0.000 -9.966) 33.068 26.603 ( 31.530 0.000 9.966) 33.068 27.111 ( 11.328 0.000 -4.741) 12.280 27.111 ( 11.328 0.000 4.741) 12.280 27.427 ( 18.138 0.000 -21.818) 28.373 27.427 ( 18.138 0.000 21.818) 28.373 28.034 ( 33.822 0.000 -8.091) 34.776 28.034 ( 33.822 0.000 8.091) 34.776 30.603 ( 4.388 0.000 -13.537) 14.230 30.603 ( 4.388 0.000 13.537) 14.230 31.338 ( -13.265 0.000 -18.204) 22.524 31.338 ( -13.265 0.000 18.204) 22.524 32.152 ( -19.293 0.000 -26.138) 32.487 32.152 ( -19.293 0.000 26.138) 32.487 32.732 ( -20.902 0.000 -16.302) 26.507 32.732 ( -20.902 0.000 16.302) 26.507 33.916 ( 24.029 0.000 -49.083) 54.649 33.916 ( 24.029 0.000 49.083) 54.649 34.743 ( 33.750 0.000 -50.444) 60.693 34.743 ( 33.750 0.000 50.444) 60.693 37.629 ( -24.679 0.000 -2.795) 24.837 37.629 ( -24.679 0.000 2.795) 24.837 39.381 ( -31.666 0.000 -12.960) 34.215 39.381 ( -31.666 0.000 12.960) 34.215 40.095 ( -1.300 0.000 -17.021) 17.071 40.095 ( -1.300 0.000 17.021) 17.071 40.471 ( -6.569 0.000 -15.591) 16.918 40.471 ( -6.569 0.000 15.591) 16.918 40.880 ( -0.712 0.000 -10.980) 11.003 40.880 ( -0.712 0.000 10.980) 11.003 41.349 ( -10.021 0.000 -8.664) 13.247 41.349 ( -10.021 0.000 8.664) 13.247 ======================= Grid point 283 (95/108) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.097 ( 6.156 0.000 -3.569) 7.116 4.097 ( 6.156 0.000 3.569) 7.116 4.291 ( 3.770 0.000 -6.268) 7.314 4.291 ( 3.770 0.000 6.268) 7.314 4.502 ( -0.161 0.000 -3.752) 3.756 4.502 ( -0.161 0.000 3.752) 3.756 4.920 ( -19.718 0.000 -1.572) 19.781 4.920 ( -19.718 0.000 1.572) 19.781 5.039 ( -0.224 0.000 -1.536) 1.552 5.039 ( -0.224 0.000 1.536) 1.552 5.424 ( -4.389 0.000 -7.176) 8.412 5.424 ( -4.389 0.000 7.176) 8.412 5.928 ( 11.701 0.000 -17.640) 21.168 5.928 ( 11.701 0.000 17.640) 21.168 7.099 ( -13.079 0.000 -7.693) 15.174 7.099 ( -13.079 0.000 7.693) 15.174 7.895 ( -1.561 0.000 -1.354) 2.066 7.895 ( -1.561 0.000 1.354) 2.066 8.088 ( -2.411 0.000 -17.520) 17.685 8.088 ( -2.411 0.000 17.520) 17.685 9.113 ( 7.893 0.000 -4.274) 8.976 9.113 ( 7.893 0.000 4.274) 8.976 9.340 ( 1.380 0.000 -1.678) 2.172 9.340 ( 1.380 0.000 1.678) 2.172 15.517 ( 49.397 0.000 -4.100) 49.567 15.517 ( 49.397 0.000 4.100) 49.567 16.400 ( 51.052 0.000 -4.039) 51.211 16.400 ( 51.052 0.000 4.039) 51.211 18.225 ( -26.580 0.000 -1.402) 26.617 18.225 ( -26.580 0.000 1.402) 26.617 18.959 ( -25.214 0.000 -0.094) 25.214 18.959 ( -25.214 0.000 0.094) 25.214 23.403 ( 9.857 0.000 -0.773) 9.887 23.403 ( 9.857 0.000 0.773) 9.887 23.690 ( 4.581 0.000 -13.296) 14.063 23.690 ( 4.581 0.000 13.296) 14.063 24.576 ( 24.122 0.000 -1.899) 24.196 24.576 ( 24.122 0.000 1.899) 24.196 25.175 ( 16.800 0.000 -6.737) 18.100 25.175 ( 16.800 0.000 6.737) 18.100 27.099 ( 14.769 0.000 -2.187) 14.930 27.099 ( 14.769 0.000 2.187) 14.930 27.345 ( 8.687 0.000 -15.634) 17.885 27.345 ( 8.687 0.000 15.634) 17.885 28.197 ( 61.552 0.000 -9.597) 62.296 28.197 ( 61.552 0.000 9.597) 62.296 28.905 ( 53.133 0.000 -9.942) 54.055 28.905 ( 53.133 0.000 9.942) 54.055 30.695 ( 3.159 0.000 -12.988) 13.367 30.695 ( 3.159 0.000 12.988) 13.367 31.068 ( -12.231 0.000 -14.677) 19.105 31.068 ( -12.231 0.000 14.677) 19.105 31.696 ( -27.692 0.000 -24.388) 36.900 31.696 ( -27.692 0.000 24.388) 36.900 32.248 ( -28.511 0.000 -16.841) 33.113 32.248 ( -28.511 0.000 16.841) 33.113 34.496 ( 35.355 0.000 -41.922) 54.840 34.496 ( 35.355 0.000 41.922) 54.840 35.493 ( 41.470 0.000 -43.375) 60.010 35.493 ( 41.470 0.000 43.375) 60.010 37.082 ( -30.071 0.000 -3.655) 30.292 37.082 ( -30.071 0.000 3.655) 30.292 38.650 ( -43.265 0.000 -17.592) 46.705 38.650 ( -43.265 0.000 17.592) 46.705 40.098 ( 1.374 0.000 -17.979) 18.032 40.098 ( 1.374 0.000 17.979) 18.032 40.345 ( -6.279 0.000 -16.275) 17.444 40.345 ( -6.279 0.000 16.275) 17.444 40.878 ( 0.652 0.000 -11.448) 11.467 40.878 ( 0.652 0.000 11.448) 11.467 41.159 ( -9.172 0.000 -9.456) 13.173 41.159 ( -9.172 0.000 9.456) 13.173 ======================= Grid point 285 (96/108) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.257 ( 10.356 0.000 -1.009) 10.405 4.257 ( 10.356 0.000 1.009) 10.405 4.387 ( 6.190 0.000 -3.464) 7.093 4.387 ( 6.190 0.000 3.464) 7.093 4.448 ( -6.213 0.000 -0.554) 6.238 4.448 ( -6.213 0.000 0.554) 6.238 4.570 ( -14.640 0.000 -0.848) 14.664 4.570 ( -14.640 0.000 0.848) 14.664 5.087 ( 5.822 0.000 -3.288) 6.686 5.087 ( 5.822 0.000 3.288) 6.686 5.252 ( -10.303 0.000 -5.766) 11.807 5.252 ( -10.303 0.000 5.766) 11.807 6.304 ( 23.124 0.000 -19.415) 30.194 6.304 ( 23.124 0.000 19.415) 30.194 6.749 ( -21.699 0.000 -16.483) 27.249 6.749 ( -21.699 0.000 16.483) 27.249 7.934 ( 4.219 0.000 -8.811) 9.769 7.934 ( 4.219 0.000 8.811) 9.769 8.022 ( -4.302 0.000 -13.302) 13.981 8.022 ( -4.302 0.000 13.302) 13.981 9.246 ( 5.684 0.000 -1.888) 5.989 9.246 ( 5.684 0.000 1.888) 5.989 9.327 ( -2.553 0.000 -0.294) 2.570 9.327 ( -2.553 0.000 0.294) 2.570 16.424 ( 42.642 0.000 -1.500) 42.669 16.424 ( 42.642 0.000 1.500) 42.669 16.993 ( -3.458 0.000 -2.578) 4.313 16.993 ( -3.458 0.000 2.578) 4.313 17.917 ( 8.425 0.000 -1.165) 8.505 17.917 ( 8.425 0.000 1.165) 8.505 18.411 ( -30.680 0.000 -1.032) 30.697 18.411 ( -30.680 0.000 1.032) 30.697 23.578 ( 8.012 0.000 -2.781) 8.481 23.578 ( 8.012 0.000 2.781) 8.481 23.696 ( -3.525 0.000 -7.348) 8.150 23.696 ( -3.525 0.000 7.348) 8.150 24.963 ( 17.167 0.000 -3.058) 17.437 24.963 ( 17.167 0.000 3.058) 17.437 25.224 ( -8.116 0.000 -0.909) 8.167 25.224 ( -8.116 0.000 0.909) 8.167 27.309 ( 8.045 0.000 -13.273) 15.521 27.309 ( 8.045 0.000 13.273) 15.521 27.406 ( -1.541 0.000 -18.526) 18.590 27.406 ( -1.541 0.000 18.526) 18.590 29.394 ( 53.505 0.000 -11.553) 54.738 29.394 ( 53.505 0.000 11.553) 54.738 29.822 ( 26.974 0.000 -8.905) 28.406 29.822 ( 26.974 0.000 8.905) 28.406 30.571 ( -6.502 0.000 -7.532) 9.950 30.571 ( -6.502 0.000 7.532) 9.950 30.945 ( -20.363 0.000 -3.330) 20.633 30.945 ( -20.363 0.000 3.330) 20.633 31.245 ( 2.315 0.000 -12.183) 12.401 31.245 ( 2.315 0.000 12.183) 12.401 31.665 ( -29.811 0.000 -5.877) 30.385 31.665 ( -29.811 0.000 5.877) 30.385 35.251 ( 41.007 0.000 -26.360) 48.749 35.251 ( 41.007 0.000 26.360) 48.749 35.931 ( -17.128 0.000 -2.673) 17.335 35.931 ( -17.128 0.000 2.673) 17.335 36.863 ( 27.983 0.000 -16.376) 32.423 36.863 ( 27.983 0.000 16.376) 32.423 37.734 ( -49.898 0.000 -22.555) 54.759 37.734 ( -49.898 0.000 22.555) 54.759 40.146 ( 3.531 0.000 -17.753) 18.101 40.146 ( 3.531 0.000 17.753) 18.101 40.232 ( -5.269 0.000 -17.075) 17.869 40.232 ( -5.269 0.000 17.075) 17.869 40.913 ( 3.185 0.000 -11.283) 11.724 40.913 ( 3.185 0.000 11.283) 11.724 41.006 ( -6.431 0.000 -10.512) 12.323 41.006 ( -6.431 0.000 10.512) 12.323 ======================= Grid point 297 (97/108) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.842 ( 0.000 4.922 -15.320) 16.092 3.842 ( 0.000 4.922 15.320) 16.092 4.121 ( 0.000 4.620 -0.743) 4.679 4.121 ( 0.000 4.620 0.743) 4.679 4.159 ( 0.000 -2.255 -24.437) 24.541 4.159 ( 0.000 -2.255 24.437) 24.541 4.673 ( 0.000 -7.586 -23.773) 24.954 4.673 ( 0.000 -7.586 23.773) 24.954 5.537 ( 0.000 3.035 -3.369) 4.535 5.537 ( 0.000 3.035 3.369) 4.535 5.978 ( 0.000 -4.601 -8.341) 9.525 5.978 ( 0.000 -4.601 8.341) 9.525 6.736 ( 0.000 4.501 -16.499) 17.102 6.736 ( 0.000 4.501 16.499) 17.102 7.232 ( 0.000 -4.674 -25.624) 26.047 7.232 ( 0.000 -4.674 25.624) 26.047 8.092 ( 0.000 1.211 -43.569) 43.585 8.092 ( 0.000 1.211 43.569) 43.585 8.208 ( 0.000 -1.503 -10.734) 10.838 8.208 ( 0.000 -1.503 10.734) 10.838 8.748 ( 0.000 3.050 -16.765) 17.040 8.748 ( 0.000 3.050 16.765) 17.040 8.913 ( 0.000 -0.296 -6.241) 6.248 8.913 ( 0.000 -0.296 6.241) 6.248 12.036 ( 0.000 11.572 -44.578) 46.055 12.036 ( 0.000 11.572 44.578) 46.055 13.085 ( 0.000 -10.193 -34.730) 36.195 13.085 ( 0.000 -10.193 34.730) 36.195 19.272 ( 0.000 3.585 -17.095) 17.467 19.272 ( 0.000 3.585 17.095) 17.467 19.766 ( 0.000 -8.527 -15.625) 17.800 19.766 ( 0.000 -8.527 15.625) 17.800 20.771 ( 0.000 9.570 -1.824) 9.743 20.771 ( 0.000 9.570 1.824) 9.743 21.356 ( 0.000 -4.120 -1.271) 4.311 21.356 ( 0.000 -4.120 1.271) 4.311 23.071 ( 0.000 3.866 -8.183) 9.050 23.071 ( 0.000 3.866 8.183) 9.050 23.206 ( 0.000 0.082 -10.636) 10.636 23.206 ( 0.000 0.082 10.636) 10.636 26.352 ( 0.000 -4.341 -16.310) 16.878 26.352 ( 0.000 -4.341 16.310) 16.878 26.459 ( 0.000 -6.698 -22.802) 23.766 26.459 ( 0.000 -6.698 22.802) 23.766 27.272 ( 0.000 12.695 -10.253) 16.318 27.272 ( 0.000 12.695 10.253) 16.318 27.403 ( 0.000 9.407 -21.312) 23.296 27.403 ( 0.000 9.407 21.312) 23.296 30.502 ( 0.000 2.876 -10.816) 11.192 30.502 ( 0.000 2.876 10.816) 11.192 31.468 ( 0.000 -19.148 -19.259) 27.158 31.468 ( 0.000 -19.148 19.259) 27.158 32.772 ( 0.000 7.846 -11.973) 14.314 32.772 ( 0.000 7.846 11.973) 14.314 33.023 ( 0.000 -0.341 -62.461) 62.462 33.023 ( 0.000 -0.341 62.461) 62.462 33.657 ( 0.000 -0.887 -33.163) 33.175 33.657 ( 0.000 -0.887 33.163) 33.175 33.748 ( 0.000 -2.450 -14.499) 14.705 33.748 ( 0.000 -2.450 14.499) 14.705 38.404 ( 0.000 7.782 -10.730) 13.255 38.404 ( 0.000 7.782 10.730) 13.255 39.601 ( 0.000 -24.555 -10.639) 26.761 39.601 ( 0.000 -24.555 10.639) 26.761 40.620 ( 0.000 7.227 -1.450) 7.371 40.620 ( 0.000 7.227 1.450) 7.371 40.736 ( 0.000 -0.084 -14.314) 14.314 40.736 ( 0.000 -0.084 14.314) 14.314 41.087 ( 0.000 11.243 -5.568) 12.546 41.087 ( 0.000 11.243 5.568) 12.546 41.674 ( 0.000 -3.126 -8.829) 9.366 41.674 ( 0.000 -3.126 8.829) 9.366 ======================= Grid point 299 (98/108) ======================= q-point: ( 0.09 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.877 ( 3.246 3.535 -12.392) 13.289 3.877 ( 3.246 3.535 12.392) 13.289 4.110 ( 0.963 0.982 -5.032) 5.217 4.110 ( 0.963 0.982 5.032) 5.217 4.272 ( 8.630 0.674 -18.341) 20.281 4.272 ( 8.630 0.674 18.341) 20.281 4.669 ( 0.064 -6.911 -22.592) 23.625 4.669 ( 0.064 -6.911 22.592) 23.625 5.490 ( -4.481 3.848 -2.876) 6.570 5.490 ( -4.481 3.848 2.876) 6.570 5.977 ( -1.083 -4.122 -4.487) 6.188 5.977 ( -1.083 -4.122 4.487) 6.188 6.551 ( -16.454 6.103 -13.587) 22.194 6.551 ( -16.454 6.103 13.587) 22.194 7.192 ( -3.824 -6.288 -16.625) 18.181 7.192 ( -3.824 -6.288 16.625) 18.181 8.086 ( -0.256 1.000 -39.065) 39.078 8.086 ( -0.256 1.000 39.065) 39.078 8.306 ( 7.441 -1.399 -11.288) 13.592 8.306 ( 7.441 -1.399 11.288) 13.592 8.705 ( -2.359 4.129 -12.119) 13.019 8.705 ( -2.359 4.129 12.119) 13.019 8.979 ( 5.518 -1.562 -5.116) 7.685 8.979 ( 5.518 -1.562 5.116) 7.685 12.534 ( 47.331 8.446 -38.228) 61.424 12.534 ( 47.331 8.446 38.228) 61.424 13.312 ( 23.457 -7.619 -31.122) 39.709 13.312 ( 23.457 -7.619 31.122) 39.709 19.260 ( -2.901 3.942 -14.673) 15.468 19.260 ( -2.901 3.942 14.673) 15.468 19.745 ( -3.694 -7.041 -14.191) 16.266 19.745 ( -3.694 -7.041 14.191) 16.266 21.254 ( 48.834 7.179 -1.729) 49.389 21.254 ( 48.834 7.179 1.729) 49.389 21.770 ( 42.338 -3.979 -0.626) 42.529 21.770 ( 42.338 -3.979 0.626) 42.529 23.113 ( 4.543 4.269 -8.612) 10.632 23.113 ( 4.543 4.269 8.612) 10.632 23.269 ( 6.489 0.102 -10.153) 12.050 23.269 ( 6.489 0.102 10.153) 12.050 26.255 ( -5.155 -2.199 -14.094) 15.167 26.255 ( -5.155 -2.199 14.094) 15.167 26.576 ( 7.788 -9.063 -16.195) 20.126 26.576 ( 7.788 -9.063 16.195) 20.126 27.279 ( 1.901 10.993 -5.570) 12.469 27.279 ( 1.901 10.993 5.570) 12.469 27.498 ( 8.676 11.018 -17.053) 22.079 27.498 ( 8.676 11.018 17.053) 22.079 30.515 ( 1.272 2.623 -11.770) 12.126 30.515 ( 1.272 2.623 11.770) 12.126 31.442 ( -2.832 -18.413 -19.445) 26.929 31.442 ( -2.832 -18.413 19.445) 26.929 32.718 ( -5.682 7.714 -8.145) 12.575 32.718 ( -5.682 7.714 8.145) 12.575 33.041 ( 0.764 -1.549 -48.280) 48.310 33.041 ( 0.764 -1.549 48.280) 48.310 33.601 ( -2.626 1.267 -12.330) 12.670 33.601 ( -2.626 1.267 12.330) 12.670 33.862 ( 10.008 -3.781 -33.704) 35.361 33.862 ( 10.008 -3.781 33.704) 35.361 38.333 ( -7.391 7.989 -9.941) 14.740 38.333 ( -7.391 7.989 9.941) 14.740 39.555 ( -4.990 -25.394 -9.253) 27.484 39.555 ( -4.990 -25.394 9.253) 27.484 40.585 ( -3.530 8.538 -1.275) 9.327 40.585 ( -3.530 8.538 1.275) 9.327 40.713 ( -2.551 0.999 -13.363) 13.641 40.713 ( -2.551 0.999 13.363) 13.641 41.036 ( -4.648 9.950 -5.154) 12.131 41.036 ( -4.648 9.950 5.154) 12.131 41.626 ( -4.852 -3.270 -8.740) 10.518 41.626 ( -4.852 -3.270 8.740) 10.518 ======================= Grid point 301 (99/108) ======================= q-point: ( 0.18 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.948 ( 3.648 1.832 -5.047) 6.491 3.948 ( 3.648 1.832 5.047) 6.491 4.154 ( 3.052 -0.820 -7.244) 7.904 4.154 ( 3.052 -0.820 7.244) 7.904 4.429 ( 5.842 0.109 -11.208) 12.639 4.429 ( 5.842 0.109 11.208) 12.639 4.721 ( 6.928 -5.860 -22.483) 24.245 4.721 ( 6.928 -5.860 22.483) 24.245 5.378 ( -6.841 4.723 -2.950) 8.821 5.378 ( -6.841 4.723 2.950) 8.821 5.877 ( -10.605 -1.053 -5.570) 12.025 5.877 ( -10.605 -1.053 5.570) 12.025 6.212 ( -16.130 6.886 -8.180) 19.352 6.212 ( -16.130 6.886 8.180) 19.352 7.111 ( -4.086 -10.678 -5.650) 12.753 7.111 ( -4.086 -10.678 5.650) 12.753 8.077 ( -0.875 1.865 -34.515) 34.577 8.077 ( -0.875 1.865 34.515) 34.577 8.383 ( -0.444 6.262 -12.603) 14.080 8.383 ( -0.444 6.262 12.603) 14.080 8.735 ( 6.055 -0.549 -8.485) 10.439 8.735 ( 6.055 -0.549 8.485) 10.439 9.099 ( 6.444 -3.582 -1.396) 7.504 9.099 ( 6.444 -3.582 1.396) 7.504 13.612 ( 56.143 4.406 -25.624) 61.871 13.612 ( 56.143 4.406 25.624) 61.871 14.022 ( 51.478 -4.065 -22.365) 56.274 14.022 ( 51.478 -4.065 22.365) 56.274 19.108 ( -13.186 4.271 -7.868) 15.938 19.108 ( -13.186 4.271 7.868) 15.938 19.597 ( -11.593 -6.266 -8.282) 15.564 19.597 ( -11.593 -6.266 8.282) 15.564 22.482 ( 68.363 4.198 -3.671) 68.590 22.482 ( 68.363 4.198 3.671) 68.590 22.859 ( 60.151 -2.666 -2.851) 60.278 22.859 ( 60.151 -2.666 2.851) 60.278 23.272 ( 13.581 5.185 -9.514) 17.373 23.272 ( 13.581 5.185 9.514) 17.373 23.500 ( 22.815 0.120 -5.830) 23.548 23.500 ( 22.815 0.120 5.830) 23.548 26.238 ( 5.826 -0.175 -17.154) 18.118 26.238 ( 5.826 -0.175 17.154) 18.118 26.724 ( 7.595 -12.576 -17.577) 22.908 26.724 ( 7.595 -12.576 17.577) 22.908 27.382 ( 9.500 12.409 -0.934) 15.656 27.382 ( 9.500 12.409 0.934) 15.656 27.719 ( 14.282 10.019 -10.620) 20.424 27.719 ( 14.282 10.019 10.620) 20.424 30.547 ( 2.045 1.722 -13.275) 13.542 30.547 ( 2.045 1.722 13.275) 13.542 31.349 ( -6.916 -16.329 -18.857) 25.885 31.349 ( -6.916 -16.329 18.857) 25.885 32.546 ( -12.269 7.220 -15.685) 21.182 32.546 ( -12.269 7.220 15.685) 21.182 32.975 ( -9.439 -4.413 -12.911) 16.591 32.975 ( -9.439 -4.413 12.911) 16.591 33.652 ( 9.868 5.113 -35.639) 37.332 33.652 ( 9.868 5.113 35.639) 37.332 34.147 ( 20.085 -5.655 -47.133) 51.546 34.147 ( 20.085 -5.655 47.133) 51.546 38.114 ( -15.427 8.532 -7.337) 19.095 38.114 ( -15.427 8.532 7.337) 19.095 39.388 ( -13.006 -26.594 -4.699) 29.975 39.388 ( -13.006 -26.594 4.699) 29.975 40.488 ( -6.353 12.791 -2.912) 14.576 40.488 ( -6.353 12.791 2.912) 14.576 40.630 ( -5.824 3.148 -13.053) 14.636 40.630 ( -5.824 3.148 13.053) 14.636 40.944 ( -4.065 5.309 -6.239) 9.146 40.944 ( -4.065 5.309 6.239) 9.146 41.493 ( -8.533 -3.562 -8.583) 12.616 41.493 ( -8.533 -3.562 8.583) 12.616 ======================= Grid point 303 (100/108) ======================= q-point: ( 0.27 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.017 ( 3.684 1.183 -1.672) 4.215 4.017 ( 3.684 1.183 1.672) 4.215 4.210 ( 2.681 -2.033 -8.979) 9.589 4.210 ( 2.681 -2.033 8.979) 9.589 4.498 ( 2.511 1.595 -6.942) 7.552 4.498 ( 2.511 1.595 6.942) 7.552 4.913 ( 9.579 -7.357 -19.161) 22.650 4.913 ( 9.579 -7.357 19.161) 22.650 5.223 ( -9.618 3.951 -4.614) 11.375 5.223 ( -9.618 3.951 4.614) 11.375 5.618 ( -11.714 4.958 -12.991) 18.181 5.618 ( -11.714 4.958 12.991) 18.181 5.950 ( -11.559 3.323 -6.180) 13.522 5.950 ( -11.559 3.323 6.180) 13.522 7.018 ( -6.605 -16.967 -7.825) 19.817 7.018 ( -6.605 -16.967 7.825) 19.817 8.056 ( -0.782 7.177 -29.304) 30.180 8.056 ( -0.782 7.177 29.304) 30.180 8.344 ( -2.398 13.420 -11.801) 18.031 8.344 ( -2.398 13.420 11.801) 18.031 8.887 ( 8.519 -4.791 -9.531) 13.651 8.887 ( 8.519 -4.791 9.531) 13.651 9.210 ( 4.561 -5.576 -1.416) 7.341 9.210 ( 4.561 -5.576 1.416) 7.341 14.626 ( 51.171 6.415 -13.968) 53.430 14.626 ( 51.171 6.415 13.968) 53.430 15.197 ( 63.483 -5.502 -12.787) 64.991 15.197 ( 63.483 -5.502 12.787) 64.991 18.758 ( -22.539 4.251 -1.314) 22.974 18.758 ( -22.539 4.251 1.314) 22.974 19.299 ( -19.074 -7.086 -2.604) 20.514 19.299 ( -19.074 -7.086 2.604) 20.514 23.249 ( 15.442 4.973 -9.121) 18.611 23.249 ( 15.442 4.973 9.121) 18.611 23.532 ( 13.610 -0.124 -16.641) 21.498 23.532 ( 13.610 -0.124 16.641) 21.498 23.948 ( 48.696 5.876 -5.847) 49.396 23.948 ( 48.696 5.876 5.847) 49.396 24.431 ( 54.516 -2.898 -7.756) 55.141 24.431 ( 54.516 -2.898 7.756) 55.141 26.595 ( 31.462 -0.419 -12.291) 33.780 26.595 ( 31.462 -0.419 12.291) 33.780 26.915 ( 14.943 -11.656 -11.333) 22.082 26.915 ( 14.943 -11.656 11.333) 22.082 27.658 ( 19.298 15.244 -12.495) 27.585 27.658 ( 19.298 15.244 12.495) 27.585 28.106 ( 28.712 5.069 -7.222) 30.038 28.106 ( 28.712 5.069 7.222) 30.038 30.597 ( 3.216 -0.038 -13.426) 13.806 30.597 ( 3.216 -0.038 13.426) 13.806 31.173 ( -10.994 -13.208 -16.550) 23.858 31.173 ( -10.994 -13.208 16.550) 23.858 32.234 ( -20.142 6.281 -23.688) 31.722 32.234 ( -20.142 6.281 23.688) 31.722 32.674 ( -20.840 -4.992 -17.806) 27.862 32.674 ( -20.840 -4.992 17.806) 27.862 33.993 ( 24.656 6.799 -49.133) 55.391 33.993 ( 24.656 6.799 49.133) 55.391 34.656 ( 32.601 -7.595 -50.239) 60.370 34.656 ( 32.601 -7.595 50.239) 60.370 37.729 ( -24.393 9.146 -2.618) 26.182 37.729 ( -24.393 9.146 2.618) 26.182 39.021 ( -25.458 -24.801 -5.220) 35.923 39.021 ( -25.458 -24.801 5.220) 35.923 40.359 ( -6.208 15.277 -8.149) 18.394 40.359 ( -6.208 15.277 8.149) 18.394 40.509 ( -6.228 3.460 -14.508) 16.163 40.509 ( -6.228 3.460 14.508) 16.163 40.887 ( -1.989 1.241 -8.857) 9.162 40.887 ( -1.989 1.241 8.857) 9.162 41.309 ( -10.034 -3.712 -8.693) 13.785 41.309 ( -10.034 -3.712 8.693) 13.785 ======================= Grid point 305 (101/108) ======================= q-point: ( 0.36 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 6.035 0.925 -2.606) 6.638 4.107 ( 6.035 0.925 2.606) 6.638 4.269 ( 3.835 -2.076 -7.508) 8.683 4.269 ( 3.835 -2.076 7.508) 8.683 4.533 ( 0.353 3.175 -5.837) 6.654 4.533 ( 0.353 3.175 5.837) 6.654 4.887 ( -14.485 -3.407 -10.538) 18.234 4.887 ( -14.485 -3.407 10.538) 18.234 5.085 ( -0.482 4.831 -7.406) 8.855 5.085 ( -0.482 4.831 7.406) 8.855 5.508 ( -5.319 5.532 -13.826) 15.813 5.508 ( -5.319 5.532 13.826) 15.813 5.835 ( 5.032 -5.597 -14.367) 16.219 5.835 ( 5.032 -5.597 14.367) 16.219 6.823 ( -13.724 -20.532 -14.330) 28.553 6.823 ( -13.724 -20.532 14.330) 28.553 8.071 ( 2.533 13.659 -20.611) 24.855 8.071 ( 2.533 13.659 20.611) 24.855 8.296 ( -2.812 15.399 -10.274) 18.724 8.296 ( -2.812 15.399 10.274) 18.724 9.045 ( 7.571 -6.045 -7.133) 12.031 9.045 ( 7.571 -6.045 7.133) 12.031 9.266 ( 1.071 -6.661 -1.934) 7.018 9.266 ( 1.071 -6.661 1.934) 7.018 15.617 ( 50.460 8.838 -5.967) 51.574 15.617 ( 50.460 8.838 5.967) 51.574 16.345 ( 53.137 -5.419 -5.759) 53.722 16.345 ( 53.137 -5.419 5.759) 53.722 18.253 ( -28.742 3.070 -2.299) 28.997 18.253 ( -28.742 3.070 2.299) 28.997 18.860 ( -26.291 -8.641 -0.976) 27.692 18.860 ( -26.291 -8.641 0.976) 27.692 23.485 ( 10.683 6.867 -6.371) 14.208 23.485 ( 10.683 6.867 6.371) 14.208 23.733 ( 6.773 3.023 -13.363) 15.283 23.733 ( 6.773 3.023 13.363) 15.283 24.590 ( 20.874 1.957 -2.398) 21.102 24.590 ( 20.874 1.957 2.398) 21.102 25.110 ( 14.826 -6.108 -4.005) 16.528 25.110 ( 14.826 -6.108 4.005) 16.528 27.095 ( 17.716 1.149 -6.818) 19.017 27.095 ( 17.716 1.149 6.818) 19.017 27.369 ( 18.896 0.161 -9.257) 21.042 27.369 ( 18.896 0.161 9.257) 21.042 28.297 ( 51.998 9.214 -12.511) 54.270 28.297 ( 51.998 9.214 12.511) 54.270 28.897 ( 50.164 -1.368 -12.763) 51.780 28.897 ( 50.164 -1.368 12.763) 51.780 30.663 ( 1.658 -2.297 -13.181) 13.482 30.663 ( 1.658 -2.297 13.181) 13.482 30.961 ( -7.915 -8.645 -13.419) 17.817 30.961 ( -7.915 -8.645 13.419) 17.817 31.759 ( -28.902 5.160 -22.758) 37.147 31.759 ( -28.902 5.160 22.758) 37.147 32.190 ( -28.634 -5.038 -17.615) 33.994 32.190 ( -28.634 -5.038 17.615) 33.994 34.586 ( 35.958 7.960 -41.943) 55.817 34.586 ( 35.958 7.960 41.943) 55.817 35.389 ( 41.341 -9.173 -43.202) 60.495 35.389 ( 41.341 -9.173 43.202) 60.495 37.179 ( -31.204 8.972 -4.551) 32.786 37.179 ( -31.204 8.972 4.551) 32.786 38.395 ( -38.786 -20.088 -13.463) 45.707 38.395 ( -38.786 -20.088 13.463) 45.707 40.270 ( -2.647 12.427 -12.768) 18.013 40.270 ( -2.647 12.427 12.768) 18.013 40.395 ( -5.412 4.229 -15.120) 16.607 40.395 ( -5.412 4.229 15.120) 16.607 40.866 ( -0.057 -0.789 -10.228) 10.258 40.866 ( -0.057 -0.789 10.228) 10.258 41.121 ( -8.973 -3.499 -9.292) 13.383 41.121 ( -8.973 -3.499 9.292) 13.383 ======================= Grid point 307 (102/108) ======================= q-point: ( 0.45 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.260 ( 9.559 0.330 -0.834) 9.601 4.260 ( 9.559 0.330 0.834) 9.601 4.359 ( 3.973 -2.133 -3.783) 5.886 4.359 ( 3.973 -2.133 3.783) 5.886 4.488 ( -4.027 3.107 -4.085) 6.524 4.488 ( -4.027 3.107 4.085) 6.524 4.587 ( -13.313 1.166 -2.893) 13.673 4.587 ( -13.313 1.166 2.893) 13.673 5.146 ( 6.702 5.435 -7.257) 11.275 5.146 ( 6.702 5.435 7.257) 11.275 5.325 ( -10.873 6.585 -10.650) 16.583 5.325 ( -10.873 6.585 10.650) 16.583 6.117 ( 19.389 -14.676 -20.746) 31.965 6.117 ( 19.389 -14.676 20.746) 31.965 6.499 ( -19.025 -19.099 -19.018) 32.991 6.499 ( -19.025 -19.099 19.018) 32.991 8.144 ( 4.509 16.103 -13.712) 21.625 8.144 ( 4.509 16.103 13.712) 21.625 8.230 ( -4.083 16.160 -10.438) 19.667 8.230 ( -4.083 16.160 10.438) 19.667 9.173 ( 5.460 -6.604 -4.344) 9.607 9.173 ( 5.460 -6.604 4.344) 9.607 9.251 ( -2.480 -6.873 -2.403) 7.692 9.251 ( -2.480 -6.873 2.403) 7.692 16.540 ( 43.357 10.320 -3.365) 44.695 16.540 ( 43.357 10.320 3.365) 44.695 17.073 ( 6.318 6.201 -3.127) 9.389 17.073 ( 6.318 6.201 3.127) 9.389 17.815 ( -0.693 -7.943 -3.339) 8.644 17.815 ( -0.693 -7.943 3.339) 8.644 18.288 ( -32.068 -10.806 -2.573) 33.938 18.288 ( -32.068 -10.806 2.573) 33.938 23.670 ( 8.063 7.636 -3.958) 11.789 23.670 ( 8.063 7.636 3.958) 11.789 23.776 ( -2.192 6.462 -6.594) 9.489 23.776 ( -2.192 6.462 6.594) 9.489 24.914 ( 14.420 -3.713 -4.188) 15.468 24.914 ( 14.420 -3.713 4.188) 15.468 25.142 ( -7.610 -6.998 -4.426) 11.246 25.142 ( -7.610 -6.998 4.426) 11.246 27.372 ( 10.834 5.933 -12.549) 17.608 27.372 ( 10.834 5.933 12.549) 17.608 27.499 ( -1.642 6.631 -14.929) 16.417 27.499 ( -1.642 6.631 14.929) 16.417 29.370 ( 48.060 -1.438 -8.998) 48.917 29.370 ( 48.060 -1.438 8.998) 48.917 29.747 ( 22.305 -6.893 -10.288) 25.512 29.747 ( 22.305 -6.893 10.288) 25.512 30.590 ( 2.217 2.688 -9.276) 9.908 30.590 ( 2.217 2.688 9.276) 9.908 30.998 ( -6.832 2.495 -5.219) 8.952 30.998 ( -6.832 2.495 5.219) 8.952 31.191 ( -10.964 -3.122 -11.697) 16.333 31.191 ( -10.964 -3.122 11.697) 16.333 31.599 ( -30.588 -5.784 -6.561) 31.813 31.599 ( -30.588 -5.784 6.561) 31.813 35.347 ( 40.790 8.516 -26.383) 49.319 35.347 ( 40.790 8.516 26.383) 49.319 35.953 ( -4.950 0.627 -8.248) 9.640 35.953 ( -4.950 0.627 8.248) 9.640 36.804 ( 13.842 -3.427 -9.442) 17.103 36.804 ( 13.842 -3.427 9.442) 17.103 37.553 ( -46.508 -15.189 -20.223) 52.941 37.553 ( -46.508 -15.189 20.223) 52.941 40.256 ( 1.053 8.691 -14.816) 17.209 40.256 ( 1.053 8.691 14.816) 17.209 40.305 ( -3.776 5.951 -15.291) 16.837 40.305 ( -3.776 5.951 15.291) 16.837 40.890 ( 2.675 -2.008 -10.537) 11.056 40.890 ( 2.675 -2.008 10.537) 11.056 40.974 ( -6.054 -2.900 -10.092) 12.121 40.974 ( -6.054 -2.900 10.092) 12.121 ======================= Grid point 319 (103/108) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.971 ( 0.000 6.179 -8.669) 10.646 3.971 ( 0.000 6.179 8.669) 10.646 4.087 ( 0.000 -4.331 -19.367) 19.845 4.087 ( 0.000 -4.331 19.367) 19.845 4.265 ( 0.000 8.406 -10.723) 13.625 4.265 ( 0.000 8.406 10.723) 13.625 4.472 ( 0.000 -10.128 -19.754) 22.199 4.472 ( 0.000 -10.128 19.754) 22.199 5.644 ( 0.000 6.933 -5.524) 8.864 5.644 ( 0.000 6.933 5.524) 8.864 5.823 ( 0.000 -8.749 -6.995) 11.202 5.823 ( 0.000 -8.749 6.995) 11.202 6.890 ( 0.000 8.920 -18.855) 20.859 6.890 ( 0.000 8.920 18.855) 20.859 7.086 ( 0.000 -8.416 -22.048) 23.600 7.086 ( 0.000 -8.416 22.048) 23.600 8.126 ( 0.000 1.815 -36.348) 36.393 8.126 ( 0.000 1.815 36.348) 36.393 8.168 ( 0.000 -2.010 -24.213) 24.296 8.168 ( 0.000 -2.010 24.213) 24.296 8.826 ( 0.000 3.650 -9.727) 10.389 8.826 ( 0.000 3.650 9.727) 10.389 8.890 ( 0.000 -2.011 -1.469) 2.490 8.890 ( 0.000 -2.011 1.469) 2.490 12.373 ( 0.000 18.362 -42.585) 46.375 12.373 ( 0.000 18.362 42.585) 46.375 12.776 ( 0.000 -17.491 -38.826) 42.584 12.776 ( 0.000 -17.491 38.826) 42.584 19.386 ( 0.000 6.842 -16.749) 18.093 19.386 ( 0.000 6.842 16.749) 18.093 19.563 ( 0.000 -9.238 -15.962) 18.443 19.563 ( 0.000 -9.238 15.962) 18.443 21.006 ( 0.000 11.063 -1.983) 11.240 21.006 ( 0.000 11.063 1.983) 11.240 21.221 ( 0.000 -8.294 -1.493) 8.428 21.221 ( 0.000 -8.294 1.493) 8.428 23.155 ( 0.000 3.218 -11.268) 11.719 23.155 ( 0.000 3.218 11.268) 11.719 23.200 ( 0.000 -0.950 -11.915) 11.953 23.200 ( 0.000 -0.950 11.915) 11.953 26.291 ( 0.000 -0.651 -21.915) 21.925 26.291 ( 0.000 -0.651 21.915) 21.925 26.331 ( 0.000 -4.273 -25.359) 25.717 26.331 ( 0.000 -4.273 25.359) 25.717 27.527 ( 0.000 8.338 -13.971) 16.270 27.527 ( 0.000 8.338 13.971) 16.270 27.573 ( 0.000 4.121 -18.816) 19.262 27.573 ( 0.000 4.121 18.816) 19.262 30.645 ( 0.000 11.378 -13.821) 17.902 30.645 ( 0.000 11.378 13.821) 17.902 31.006 ( 0.000 -20.887 -16.816) 26.816 31.006 ( 0.000 -20.887 16.816) 26.816 32.925 ( 0.000 5.479 -33.819) 34.260 32.925 ( 0.000 5.479 33.819) 34.260 33.003 ( 0.000 -1.885 -54.091) 54.123 33.003 ( 0.000 -1.885 54.091) 54.123 33.649 ( 0.000 0.541 -17.845) 17.854 33.649 ( 0.000 0.541 17.845) 17.854 33.687 ( 0.000 -2.716 -11.675) 11.987 33.687 ( 0.000 -2.716 11.675) 11.987 38.658 ( 0.000 15.624 -9.740) 18.412 38.658 ( 0.000 15.624 9.740) 18.412 39.076 ( 0.000 -22.453 -8.646) 24.060 39.076 ( 0.000 -22.453 8.646) 24.060 40.706 ( 0.000 1.879 -6.921) 7.172 40.706 ( 0.000 1.879 6.921) 7.172 40.730 ( 0.000 -0.548 -11.043) 11.057 40.730 ( 0.000 -0.548 11.043) 11.057 41.358 ( 0.000 11.750 -9.109) 14.868 41.358 ( 0.000 11.750 9.109) 14.868 41.564 ( 0.000 -7.173 -9.508) 11.910 41.564 ( 0.000 -7.173 9.508) 11.910 ======================= Grid point 321 (104/108) ======================= q-point: ( 0.09 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.978 ( 0.865 5.255 -5.985) 8.011 3.978 ( 0.865 5.255 5.985) 8.011 4.081 ( 0.061 -3.666 -9.411) 10.100 4.081 ( 0.061 -3.666 9.411) 10.100 4.343 ( 6.589 5.746 -9.925) 13.227 4.343 ( 6.589 5.746 9.925) 13.227 4.497 ( 2.684 -8.074 -16.839) 18.866 4.497 ( 2.684 -8.074 16.839) 18.866 5.621 ( -2.562 8.084 -4.059) 9.402 5.621 ( -2.562 8.084 4.059) 9.402 5.820 ( -1.024 -9.342 -4.131) 10.266 5.820 ( -1.024 -9.342 4.131) 10.266 6.752 ( -12.546 11.382 -15.495) 22.957 6.752 ( -12.546 11.382 15.495) 22.957 7.001 ( -8.023 -10.772 -16.734) 21.457 7.001 ( -8.023 -10.772 16.734) 21.457 8.142 ( 1.902 3.994 -34.064) 34.350 8.142 ( 1.902 3.994 34.064) 34.350 8.239 ( 6.178 -4.374 -23.484) 24.674 8.239 ( 6.178 -4.374 23.484) 24.674 8.818 ( -0.418 5.556 -7.231) 9.128 8.818 ( -0.418 5.556 7.231) 9.128 8.922 ( 2.849 -3.785 -1.381) 4.935 8.922 ( 2.849 -3.785 1.381) 4.935 12.782 ( 39.538 13.550 -37.277) 56.004 12.782 ( 39.538 13.550 37.277) 56.004 13.081 ( 30.401 -13.034 -34.569) 47.845 13.081 ( 30.401 -13.034 34.569) 47.845 19.383 ( -2.299 7.225 -14.963) 16.774 19.383 ( -2.299 7.225 14.963) 16.774 19.563 ( -2.248 -8.945 -14.749) 17.396 19.563 ( -2.248 -8.945 14.749) 17.396 21.446 ( 45.191 9.650 -1.937) 46.251 21.446 ( 45.191 9.650 1.937) 46.251 21.641 ( 43.154 -7.809 -1.319) 43.875 21.641 ( 43.154 -7.809 1.319) 43.875 23.208 ( 5.575 3.707 -10.890) 12.784 23.208 ( 5.575 3.707 10.890) 12.784 23.260 ( 6.358 -1.175 -11.124) 12.867 23.260 ( 6.358 -1.175 11.124) 12.867 26.255 ( -1.557 2.734 -18.494) 18.759 26.255 ( -1.557 2.734 18.494) 18.759 26.376 ( 3.068 -8.081 -19.882) 21.680 26.376 ( 3.068 -8.081 19.882) 21.680 27.549 ( 3.588 10.823 -6.063) 12.914 27.549 ( 3.588 10.823 6.063) 12.914 27.656 ( 7.359 1.815 -10.563) 13.001 27.656 ( 7.359 1.815 10.563) 13.001 30.650 ( 0.401 10.888 -14.461) 18.106 30.650 ( 0.401 10.888 14.461) 18.106 30.997 ( -1.067 -20.120 -17.199) 26.490 30.997 ( -1.067 -20.120 17.199) 26.490 32.877 ( -5.237 6.323 -20.308) 21.904 32.877 ( -5.237 6.323 20.308) 21.904 32.985 ( -2.709 -3.690 -35.311) 35.607 32.985 ( -2.709 -3.690 35.311) 35.607 33.655 ( 2.414 3.794 -18.507) 19.045 33.655 ( 2.414 3.794 18.507) 19.045 33.758 ( 7.072 -5.258 -28.965) 30.276 33.758 ( 7.072 -5.258 28.965) 30.276 38.593 ( -6.801 15.944 -8.931) 19.500 38.593 ( -6.801 15.944 8.931) 19.500 39.018 ( -6.067 -22.839 -7.675) 24.846 39.018 ( -6.067 -22.839 7.675) 24.846 40.685 ( -2.049 2.391 -7.467) 8.104 40.685 ( -2.049 2.391 7.467) 8.104 40.718 ( -1.305 -0.723 -9.880) 9.992 40.718 ( -1.305 -0.723 9.880) 9.992 41.299 ( -5.807 11.960 -8.543) 15.803 41.299 ( -5.807 11.960 8.543) 15.803 41.511 ( -5.287 -7.456 -9.252) 13.005 41.511 ( -5.287 -7.456 9.252) 13.005 ======================= Grid point 323 (105/108) ======================= q-point: ( 0.18 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 2.205 3.693 -4.449) 6.188 4.008 ( 2.205 3.693 4.449) 6.188 4.098 ( 1.601 -4.043 -6.869) 8.129 4.098 ( 1.601 -4.043 6.869) 8.129 4.472 ( 6.047 3.926 -7.440) 10.360 4.472 ( 6.047 3.926 7.440) 10.360 4.585 ( 6.580 -6.118 -15.897) 18.260 4.585 ( 6.580 -6.118 15.897) 18.260 5.536 ( -6.428 9.306 -2.381) 11.558 5.536 ( -6.428 9.306 2.381) 11.558 5.748 ( -7.057 -9.207 -3.150) 12.020 5.748 ( -7.057 -9.207 3.150) 12.020 6.472 ( -15.079 15.115 -11.884) 24.435 6.472 ( -15.079 15.115 11.884) 24.435 6.814 ( -10.584 -15.580 -10.255) 21.446 6.814 ( -10.584 -15.580 10.255) 21.446 8.197 ( 3.767 8.109 -31.164) 32.422 8.197 ( 3.767 8.109 31.164) 32.422 8.373 ( 7.178 -6.498 -19.944) 22.170 8.373 ( 7.178 -6.498 19.944) 22.170 8.819 ( 0.677 7.576 -3.956) 8.573 8.819 ( 0.677 7.576 3.956) 8.573 8.985 ( 3.370 -6.813 -1.431) 7.734 8.985 ( 3.370 -6.813 1.431) 7.734 13.741 ( 54.743 7.112 -26.220) 61.113 13.741 ( 54.743 7.112 26.220) 61.113 13.899 ( 52.849 -6.897 -24.910) 58.831 13.899 ( 52.849 -6.897 24.910) 58.831 19.240 ( -12.764 7.689 -8.496) 17.153 19.240 ( -12.764 7.689 8.496) 17.153 19.425 ( -12.056 -8.856 -8.757) 17.334 19.425 ( -12.056 -8.856 8.757) 17.334 22.609 ( 65.254 6.943 -5.379) 65.843 22.609 ( 65.254 6.943 5.379) 65.843 22.758 ( 62.763 -6.260 -5.033) 63.275 22.758 ( 62.763 -6.260 5.033) 63.275 23.399 ( 16.853 5.496 -7.860) 19.391 23.399 ( 16.853 5.496 7.860) 19.391 23.483 ( 20.824 -2.086 -6.774) 21.998 23.483 ( 20.824 -2.086 6.774) 21.998 26.283 ( 6.289 4.867 -20.495) 21.983 26.283 ( 6.289 4.867 20.495) 21.983 26.456 ( 6.319 -10.834 -21.172) 24.608 26.456 ( 6.319 -10.834 21.172) 24.608 27.686 ( 10.817 12.872 -3.094) 17.095 27.686 ( 10.817 12.872 3.094) 17.095 27.844 ( 12.102 -0.382 -6.684) 13.830 27.844 ( 12.102 -0.382 6.684) 13.830 30.654 ( -0.162 9.135 -15.117) 17.664 30.654 ( -0.162 9.135 15.117) 17.664 30.955 ( -3.499 -17.750 -17.238) 24.989 30.955 ( -3.499 -17.750 17.238) 24.989 32.708 ( -12.560 7.219 -14.644) 20.599 32.708 ( -12.560 7.219 14.644) 20.599 32.855 ( -11.456 -6.300 -15.105) 19.977 32.855 ( -11.456 -6.300 15.105) 19.977 33.800 ( 13.504 8.124 -41.961) 44.823 33.800 ( 13.504 8.124 41.961) 44.823 33.986 ( 17.214 -8.547 -45.531) 49.421 33.986 ( 17.214 -8.547 45.531) 49.421 38.389 ( -14.513 16.743 -6.281) 23.031 38.389 ( -14.513 16.743 6.281) 23.031 38.831 ( -13.572 -23.633 -4.515) 27.625 38.831 ( -13.572 -23.633 4.515) 27.625 40.631 ( -3.388 3.347 -8.253) 9.528 40.631 ( -3.388 3.347 8.253) 9.528 40.675 ( -3.159 -0.352 -8.066) 8.670 40.675 ( -3.159 -0.352 8.066) 8.670 41.152 ( -8.682 11.600 -6.968) 16.078 41.152 ( -8.682 11.600 6.968) 16.078 41.370 ( -8.910 -7.935 -8.689) 14.760 41.370 ( -8.910 -7.935 8.689) 14.760 ======================= Grid point 325 (106/108) ======================= q-point: ( 0.27 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.060 ( 3.205 2.910 -5.336) 6.871 4.060 ( 3.205 2.910 5.336) 6.871 4.139 ( 2.621 -4.039 -8.845) 10.071 4.139 ( 2.621 -4.039 8.845) 10.071 4.579 ( 5.109 5.755 -11.978) 14.237 4.579 ( 5.109 5.755 11.978) 14.237 4.734 ( 7.451 -8.178 -18.020) 21.146 4.734 ( 7.451 -8.178 18.020) 21.146 5.375 ( -9.474 8.832 -6.092) 14.313 5.375 ( -9.474 8.832 6.092) 14.313 5.564 ( -10.081 -7.537 -8.981) 15.463 5.564 ( -10.081 -7.537 8.981) 15.463 6.191 ( -13.913 16.671 -11.776) 24.702 6.191 ( -13.913 16.671 11.776) 24.702 6.599 ( -11.806 -20.051 -11.043) 25.756 6.599 ( -11.806 -20.051 11.043) 25.756 8.288 ( 5.561 12.479 -25.541) 28.966 8.288 ( 5.561 12.479 25.541) 28.966 8.504 ( 5.870 -3.475 -12.695) 14.412 8.504 ( 5.870 -3.475 12.695) 14.412 8.846 ( 2.179 5.425 -4.940) 7.653 8.846 ( 2.179 5.425 4.940) 7.653 9.042 ( 2.280 -9.486 -1.667) 9.897 9.042 ( 2.280 -9.486 1.667) 9.897 14.811 ( 55.532 10.017 -15.342) 58.477 14.811 ( 55.532 10.017 15.342) 58.477 15.030 ( 60.360 -9.485 -14.830) 62.875 15.030 ( 60.360 -9.485 14.830) 62.875 18.897 ( -22.334 8.411 -1.717) 23.927 18.897 ( -22.334 8.411 1.717) 23.927 19.104 ( -20.833 -10.043 -2.360) 23.248 19.104 ( -20.833 -10.043 2.360) 23.248 23.377 ( 17.908 6.116 -14.930) 24.104 23.377 ( 17.908 6.116 14.930) 24.104 23.490 ( 17.346 -3.860 -17.341) 24.830 23.490 ( 17.346 -3.860 17.341) 24.830 24.128 ( 46.690 9.719 -5.941) 48.059 24.128 ( 46.690 9.719 5.941) 48.059 24.322 ( 50.257 -7.274 -6.722) 51.224 24.322 ( 50.257 -7.274 6.722) 51.224 26.606 ( 28.796 2.000 -13.002) 31.659 26.606 ( 28.796 2.000 13.002) 31.659 26.703 ( 22.178 -7.242 -12.634) 26.532 26.703 ( 22.178 -7.242 12.634) 26.532 27.984 ( 20.590 13.090 -7.788) 25.611 27.984 ( 20.590 13.090 7.788) 25.611 28.159 ( 22.555 -2.185 -6.572) 23.594 28.159 ( 22.555 -2.185 6.572) 23.594 30.645 ( -0.511 5.611 -14.325) 15.393 30.645 ( -0.511 5.611 14.325) 15.393 30.860 ( -6.014 -13.639 -15.778) 21.706 30.860 ( -6.014 -13.639 15.778) 21.706 32.384 ( -20.952 7.151 -21.730) 31.021 32.384 ( -20.952 7.151 21.730) 31.021 32.539 ( -20.963 -6.974 -20.109) 29.874 32.539 ( -20.963 -6.974 20.109) 29.874 34.191 ( 26.741 10.918 -49.394) 57.219 34.191 ( 26.741 10.918 49.394) 57.219 34.441 ( 29.804 -11.466 -49.813) 59.170 34.441 ( 29.804 -11.466 49.813) 59.170 38.021 ( -23.755 17.540 -2.044) 29.600 38.021 ( -23.755 17.540 2.044) 29.600 38.476 ( -23.531 -23.893 -1.699) 33.578 38.476 ( -23.532 -23.893 1.699) 33.578 40.558 ( -4.030 4.254 -8.234) 10.107 40.558 ( -4.030 4.254 8.234) 10.107 40.597 ( -4.812 1.680 -4.180) 6.591 40.597 ( -4.812 1.680 4.180) 6.591 40.990 ( -7.379 8.615 -3.928) 12.004 40.990 ( -7.379 8.615 3.928) 12.004 41.184 ( -9.786 -7.827 -8.187) 14.969 41.184 ( -9.786 -7.827 8.187) 14.969 ======================= Grid point 327 (107/108) ======================= q-point: ( 0.36 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.142 ( 5.539 2.390 -5.159) 7.938 4.142 ( 5.539 2.390 5.159) 7.938 4.207 ( 4.554 -3.315 -7.762) 9.591 4.207 ( 4.554 -3.315 7.762) 9.591 4.640 ( -0.272 6.217 -10.528) 12.230 4.640 ( -0.272 6.217 10.528) 12.230 4.780 ( -5.048 -6.139 -11.794) 14.223 4.780 ( -5.048 -6.139 11.794) 14.223 5.241 ( -1.723 9.121 -9.378) 13.195 5.241 ( -1.723 9.121 9.378) 13.195 5.456 ( 0.742 -9.509 -12.506) 15.728 5.456 ( 0.742 -9.509 12.506) 15.728 5.936 ( -11.818 14.899 -11.779) 22.369 5.936 ( -11.818 14.899 11.779) 22.369 6.348 ( -14.162 -21.609 -15.785) 30.277 6.348 ( -14.162 -21.609 15.785) 30.277 8.404 ( 6.129 15.289 -18.293) 24.616 8.404 ( 6.129 15.289 18.293) 24.616 8.584 ( 2.081 5.308 -5.134) 7.672 8.584 ( 2.081 5.308 5.134) 7.672 8.905 ( 3.845 -2.179 -7.325) 8.555 8.905 ( 3.845 -2.179 7.325) 8.555 9.067 ( 0.152 -10.965 -2.216) 11.187 9.067 ( 0.152 -10.965 2.216) 11.187 15.870 ( 53.038 13.536 -8.067) 55.329 15.870 ( 53.038 13.536 8.067) 55.329 16.156 ( 54.865 -11.712 -7.977) 56.665 16.156 ( 54.865 -11.712 7.977) 56.665 18.383 ( -30.617 9.031 -2.586) 32.026 18.383 ( -30.617 9.031 2.586) 32.026 18.623 ( -28.874 -12.095 -1.904) 31.363 18.623 ( -28.874 -12.095 1.904) 31.363 23.652 ( 12.224 7.342 -11.322) 18.207 23.652 ( 12.224 7.342 11.322) 18.207 23.759 ( 11.259 -1.752 -13.420) 17.605 23.759 ( 11.259 -1.752 13.420) 17.605 24.698 ( 14.270 8.328 -1.741) 16.614 24.698 ( 14.270 8.328 1.741) 16.614 24.920 ( 12.169 -10.676 -3.734) 16.614 24.920 ( 12.169 -10.676 3.734) 16.614 27.176 ( 25.566 5.888 -6.606) 27.054 27.176 ( 25.566 5.888 6.606) 27.054 27.309 ( 28.539 -5.317 -2.795) 29.164 27.309 ( 28.539 -5.317 2.795) 29.164 28.561 ( 41.198 13.459 -16.640) 46.425 28.561 ( 41.198 13.459 16.640) 46.425 28.806 ( 43.247 -7.846 -16.485) 46.943 28.806 ( 43.247 -7.846 16.485) 46.943 30.644 ( 0.105 1.733 -13.734) 13.843 30.644 ( 0.105 1.733 13.734) 13.843 30.759 ( -1.875 -8.425 -14.049) 16.489 30.759 ( -1.875 -8.425 14.049) 16.489 31.894 ( -29.605 6.946 -21.203) 37.071 31.894 ( -29.605 6.946 21.203) 37.071 32.051 ( -29.127 -7.228 -19.413) 35.742 32.051 ( -29.127 -7.228 19.413) 35.742 34.822 ( 37.719 13.201 -42.156) 58.087 34.822 ( 37.719 13.201 42.156) 58.087 35.127 ( 39.979 -14.014 -42.666) 60.125 35.127 ( 39.979 -14.014 42.666) 60.125 37.467 ( -32.917 17.355 -6.462) 37.769 37.467 ( -32.917 17.355 6.462) 37.769 37.910 ( -34.791 -22.633 -9.139) 42.499 37.910 ( -34.791 -22.633 9.139) 42.499 40.483 ( -3.492 5.084 -6.958) 9.298 40.483 ( -3.492 5.084 6.958) 9.298 40.503 ( -4.435 4.007 -4.830) 7.685 40.503 ( -4.435 4.007 4.830) 7.685 40.881 ( -3.708 3.536 -2.203) 5.577 40.881 ( -3.708 3.536 2.203) 5.577 41.009 ( -7.859 -6.539 -7.691) 12.793 41.009 ( -7.859 -6.539 7.691) 12.793 ======================= Grid point 329 (108/108) ======================= q-point: ( 0.45 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.274 ( 7.368 1.117 -3.131) 8.083 4.274 ( 7.368 1.117 3.131) 8.083 4.310 ( 4.888 -2.108 -3.976) 6.644 4.310 ( 4.888 -2.108 3.976) 6.644 4.560 ( -5.606 2.983 -4.876) 8.006 4.560 ( -5.606 2.983 4.876) 8.006 4.599 ( -9.706 -0.452 -4.162) 10.571 4.599 ( -9.706 -0.452 4.162) 10.571 5.324 ( 8.559 10.586 -13.387) 19.092 5.324 ( 8.559 10.586 13.387) 19.092 5.483 ( -4.224 2.865 -5.324) 7.376 5.483 ( -4.224 2.865 5.324) 7.376 5.830 ( 5.090 -4.953 -7.965) 10.672 5.830 ( 5.090 -4.953 7.965) 10.672 6.060 ( -14.950 -19.128 -17.975) 30.207 6.060 ( -14.950 -19.128 17.975) 30.207 8.514 ( 4.857 15.559 -11.399) 19.889 8.514 ( 4.857 15.559 11.399) 19.889 8.583 ( -2.036 12.701 -5.837) 14.126 8.583 ( -2.036 12.701 5.837) 14.126 8.984 ( 3.957 -8.566 -6.393) 11.398 8.984 ( 3.957 -8.566 6.393) 11.398 9.046 ( -2.230 -10.909 -3.906) 11.800 9.046 ( -2.230 -10.909 3.906) 11.800 16.836 ( 45.781 15.642 -5.177) 48.655 16.836 ( 45.781 15.642 5.177) 48.655 17.119 ( 41.555 -6.489 -5.031) 42.358 17.119 ( 41.555 -6.489 5.031) 42.358 17.729 ( -34.194 4.827 -4.559) 34.832 17.729 ( -34.194 4.827 4.559) 34.832 17.988 ( -36.258 -15.270 -3.946) 39.540 17.988 ( -36.258 -15.270 3.946) 39.540 23.848 ( 7.270 6.974 -5.683) 11.567 23.848 ( 7.270 6.974 5.683) 11.567 23.901 ( 2.475 2.814 -5.248) 6.449 23.901 ( 2.475 2.814 5.248) 6.449 24.861 ( 5.814 0.444 -1.055) 5.925 24.861 ( 5.814 0.444 1.055) 5.925 24.963 ( -3.836 -8.047 -5.504) 10.477 24.963 ( -3.836 -8.047 5.504) 10.477 27.529 ( 10.856 6.870 -7.698) 14.977 27.529 ( 10.856 6.870 7.698) 14.977 27.602 ( 3.884 1.095 -5.219) 6.598 27.602 ( 3.884 1.095 5.219) 6.598 29.387 ( 33.892 4.111 -0.966) 34.154 29.387 ( 33.892 4.111 0.966) 34.154 29.550 ( 21.468 -9.870 -8.067) 24.967 29.550 ( 21.468 -9.870 8.067) 24.967 30.709 ( 13.752 8.050 -8.725) 18.167 30.709 ( 13.752 8.050 8.725) 18.167 30.908 ( 17.931 -9.061 -6.365) 21.074 30.908 ( 17.931 -9.061 6.365) 21.074 31.253 ( -34.923 7.523 -10.031) 37.106 31.253 ( -34.923 7.523 10.031) 37.106 31.436 ( -32.656 -8.566 -8.330) 34.773 31.436 ( -32.656 -8.566 8.330) 34.773 35.595 ( 38.816 13.398 -25.975) 48.589 35.595 ( 38.816 13.398 25.975) 48.589 35.866 ( 26.193 -9.590 -21.436) 35.179 35.866 ( 26.193 -9.590 21.436) 35.179 36.847 ( -21.541 9.201 -7.213) 24.509 36.847 ( -21.541 9.201 7.213) 24.509 37.167 ( -39.108 -18.261 -15.663) 45.915 37.167 ( -39.108 -18.261 15.663) 45.915 40.434 ( -1.262 5.445 -6.727) 8.746 40.434 ( -1.262 5.445 6.727) 8.746 40.440 ( -1.859 4.893 -7.814) 9.405 40.440 ( -1.859 4.893 7.814) 9.405 40.847 ( 0.223 -0.832 -4.978) 5.052 40.847 ( 0.223 -0.832 4.978) 5.052 40.891 ( -4.238 -4.113 -6.760) 8.976 40.891 ( -4.238 -4.113 6.760) 8.976 =================== 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 3/39600 10.0 953.403 256.455 482.856 0.000 0.000 -0.000 3/39600 20.0 728.570 495.953 625.193 0.000 0.000 -0.000 3/39600 30.0 270.160 238.921 285.878 0.000 0.000 -0.000 3/39600 40.0 128.115 114.877 153.582 0.000 0.000 -0.000 3/39600 50.0 76.173 67.187 95.006 0.000 0.000 -0.000 3/39600 60.0 52.268 45.566 65.450 0.000 0.000 -0.000 3/39600 70.0 39.329 34.097 48.927 0.000 0.000 -0.000 3/39600 80.0 31.501 27.248 38.819 0.000 0.000 -0.000 3/39600 90.0 26.349 22.767 32.151 0.000 0.000 -0.000 3/39600 100.0 22.728 19.612 27.469 0.000 0.000 -0.000 3/39600 110.0 20.042 17.257 24.008 0.000 0.000 -0.000 3/39600 120.0 17.962 15.417 21.339 0.000 0.000 -0.000 3/39600 130.0 16.294 13.928 19.210 0.000 0.000 -0.000 3/39600 140.0 14.919 12.688 17.465 0.000 0.000 -0.000 3/39600 150.0 13.759 11.635 16.001 0.000 0.000 -0.000 3/39600 160.0 12.763 10.726 14.753 0.000 0.000 -0.000 3/39600 170.0 11.897 9.931 13.672 0.000 0.000 -0.000 3/39600 180.0 11.135 9.231 12.727 0.000 0.000 -0.000 3/39600 190.0 10.459 8.609 11.892 0.000 0.000 -0.000 3/39600 200.0 9.854 8.053 11.149 0.000 0.000 -0.000 3/39600 210.0 9.312 7.554 10.484 0.000 0.000 -0.000 3/39600 220.0 8.822 7.105 9.886 0.000 0.000 -0.000 3/39600 230.0 8.378 6.699 9.346 0.000 0.000 -0.000 3/39600 240.0 7.974 6.330 8.856 0.000 0.000 -0.000 3/39600 250.0 7.605 5.995 8.410 0.000 0.000 -0.000 3/39600 260.0 7.268 5.690 8.003 0.000 0.000 -0.000 3/39600 270.0 6.959 5.411 7.630 0.000 0.000 -0.000 3/39600 280.0 6.674 5.155 7.288 0.000 0.000 -0.000 3/39600 290.0 6.411 4.920 6.974 0.000 0.000 -0.000 3/39600 300.0 6.169 4.703 6.684 0.000 0.000 -0.000 3/39600 310.0 5.944 4.504 6.415 0.000 0.000 -0.000 3/39600 320.0 5.735 4.319 6.167 0.000 0.000 -0.000 3/39600 330.0 5.540 4.148 5.936 0.000 0.000 -0.000 3/39600 340.0 5.359 3.990 5.722 0.000 0.000 -0.000 3/39600 350.0 5.189 3.842 5.522 0.000 0.000 -0.000 3/39600 360.0 5.030 3.705 5.335 0.000 0.000 -0.000 3/39600 370.0 4.881 3.577 5.160 0.000 0.000 -0.000 3/39600 380.0 4.741 3.457 4.996 0.000 0.000 -0.000 3/39600 390.0 4.609 3.345 4.843 0.000 0.000 -0.000 3/39600 400.0 4.484 3.239 4.698 0.000 0.000 -0.000 3/39600 410.0 4.366 3.140 4.562 0.000 0.000 -0.000 3/39600 420.0 4.255 3.047 4.434 0.000 0.000 -0.000 3/39600 430.0 4.150 2.959 4.312 0.000 0.000 -0.000 3/39600 440.0 4.049 2.876 4.197 0.000 0.000 -0.000 3/39600 450.0 3.954 2.798 4.089 0.000 0.000 -0.000 3/39600 460.0 3.864 2.724 3.986 0.000 0.000 -0.000 3/39600 470.0 3.777 2.654 3.888 0.000 0.000 -0.000 3/39600 480.0 3.695 2.587 3.795 0.000 0.000 -0.000 3/39600 490.0 3.616 2.524 3.706 0.000 0.000 -0.000 3/39600 500.0 3.541 2.463 3.621 0.000 0.000 -0.000 3/39600 510.0 3.469 2.406 3.541 0.000 0.000 -0.000 3/39600 520.0 3.400 2.351 3.464 0.000 0.000 -0.000 3/39600 530.0 3.334 2.299 3.390 0.000 0.000 -0.000 3/39600 540.0 3.270 2.249 3.320 0.000 0.000 -0.000 3/39600 550.0 3.209 2.201 3.252 0.000 0.000 -0.000 3/39600 560.0 3.150 2.156 3.187 0.000 0.000 -0.000 3/39600 570.0 3.094 2.112 3.125 0.000 0.000 -0.000 3/39600 580.0 3.039 2.070 3.065 0.000 0.000 -0.000 3/39600 590.0 2.987 2.029 3.008 0.000 0.000 -0.000 3/39600 600.0 2.936 1.991 2.953 0.000 0.000 -0.000 3/39600 610.0 2.887 1.954 2.900 0.000 0.000 -0.000 3/39600 620.0 2.840 1.918 2.848 0.000 0.000 -0.000 3/39600 630.0 2.794 1.883 2.799 0.000 0.000 -0.000 3/39600 640.0 2.750 1.850 2.751 0.000 0.000 -0.000 3/39600 650.0 2.707 1.818 2.705 0.000 0.000 -0.000 3/39600 660.0 2.666 1.787 2.661 0.000 0.000 -0.000 3/39600 670.0 2.626 1.757 2.618 0.000 0.000 -0.000 3/39600 680.0 2.587 1.729 2.576 0.000 0.000 -0.000 3/39600 690.0 2.549 1.701 2.536 0.000 0.000 -0.000 3/39600 700.0 2.513 1.674 2.497 0.000 0.000 -0.000 3/39600 710.0 2.477 1.648 2.460 0.000 0.000 -0.000 3/39600 720.0 2.442 1.622 2.423 0.000 0.000 -0.000 3/39600 730.0 2.409 1.598 2.388 0.000 0.000 -0.000 3/39600 740.0 2.376 1.574 2.353 0.000 0.000 -0.000 3/39600 750.0 2.345 1.551 2.320 0.000 0.000 -0.000 3/39600 760.0 2.314 1.529 2.287 0.000 0.000 -0.000 3/39600 770.0 2.284 1.507 2.256 0.000 0.000 -0.000 3/39600 780.0 2.254 1.486 2.225 0.000 0.000 -0.000 3/39600 790.0 2.226 1.466 2.195 0.000 0.000 -0.000 3/39600 800.0 2.198 1.446 2.166 0.000 0.000 -0.000 3/39600 810.0 2.171 1.427 2.138 0.000 0.000 -0.000 3/39600 820.0 2.144 1.408 2.111 0.000 0.000 -0.000 3/39600 830.0 2.119 1.390 2.084 0.000 0.000 -0.000 3/39600 840.0 2.093 1.372 2.058 0.000 0.000 -0.000 3/39600 850.0 2.069 1.354 2.032 0.000 0.000 -0.000 3/39600 860.0 2.045 1.338 2.008 0.000 0.000 -0.000 3/39600 870.0 2.021 1.321 1.984 0.000 0.000 -0.000 3/39600 880.0 1.999 1.305 1.960 0.000 0.000 -0.000 3/39600 890.0 1.976 1.289 1.937 0.000 0.000 -0.000 3/39600 900.0 1.954 1.274 1.914 0.000 0.000 -0.000 3/39600 910.0 1.933 1.259 1.893 0.000 0.000 -0.000 3/39600 920.0 1.912 1.245 1.871 0.000 0.000 -0.000 3/39600 930.0 1.892 1.230 1.850 0.000 0.000 -0.000 3/39600 940.0 1.872 1.217 1.830 0.000 0.000 -0.000 3/39600 950.0 1.852 1.203 1.810 0.000 0.000 -0.000 3/39600 960.0 1.833 1.190 1.790 0.000 0.000 -0.000 3/39600 970.0 1.814 1.177 1.771 0.000 0.000 -0.000 3/39600 980.0 1.796 1.164 1.752 0.000 0.000 -0.000 3/39600 990.0 1.777 1.152 1.734 0.000 0.000 -0.000 3/39600 1000.0 1.760 1.140 1.716 0.000 0.000 -0.000 3/39600 Thermal conductivity related properties were written into "kappa-m11510.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:04:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|