----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:22:03]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.094842325000000 4.094842325000000 4.134982320000000 b 4.094842325000000 -4.094842325000000 4.134982320000000 c 4.094842325000000 4.094842325000000 -4.134982320000000 Atomic positions (fractional): *1 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 *2 S 0.77475019829922 0.38343335797583 0.25178894689555 32.065 *3 S 0.26142295840703 0.36704757107046 0.25949329821242 32.065 4 S 0.63295242892954 0.89244572714196 0.89437538733657 32.065 5 S 0.47703874859633 0.22524980170078 0.60868315967660 32.065 6 S 0.61656664202417 0.86835558891973 0.39131684032340 32.065 7 S 0.10755427285804 0.00192966019462 0.74050670178758 32.065 8 S 0.99807033980538 0.73857704159296 0.10562461266343 32.065 9 S 0.13164441108027 0.52296125140367 0.74821105310445 32.065 *10 Tb 0.88124007762099 0.26367883336485 0.87990528458219 158.925 11 Tb 0.99866520696120 0.11875992237901 0.38243875574386 158.925 12 Tb 0.38377354878266 0.00133479303880 0.12009471541781 158.925 *13 Tb 0.25000000000000 0.75000000000000 0.50000000000000 158.925 14 Tb 0.73632116663515 0.61622645121734 0.61756124425614 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.189684650000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.189684650000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.269964640000000 Atomic positions (fractional): *1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 2 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 > 1 *3 S 0.93023605328608 0.32155289360948 0.45319730468975 32.065 > 2 *4 S 0.18255895543792 0.07693434277449 0.18448861563254 32.065 > 3 5 S 0.57693434277449 0.31744104456208 0.31551138436746 32.065 > 4 6 S 0.17844710639052 0.43023605328608 0.04680269531025 32.065 > 5 7 S 0.32155289360948 0.06976394671392 0.54680269531025 32.065 > 6 8 S 0.31744104456208 0.42306565722550 0.68448861563254 32.065 > 7 9 S 0.92306565722551 0.18255895543792 0.81551138436746 32.065 > 8 10 S 0.56976394671392 0.17844710639052 0.95319730468975 32.065 > 9 11 S 0.43023605328608 0.82155289360948 0.95319730468975 32.065 > 2 12 S 0.68255895543792 0.57693434277449 0.68448861563254 32.065 > 3 13 S 0.07693434277449 0.81744104456208 0.81551138436746 32.065 > 4 14 S 0.67844710639052 0.93023605328608 0.54680269531025 32.065 > 5 15 S 0.82155289360948 0.56976394671392 0.04680269531025 32.065 > 6 16 S 0.81744104456208 0.92306565722551 0.18448861563254 32.065 > 7 17 S 0.42306565722550 0.68255895543792 0.31551138436746 32.065 > 8 18 S 0.06976394671392 0.67844710639052 0.45319730468975 32.065 > 9 *19 Tb 0.63117202016302 0.24873326441917 0.63250681320183 158.925 > 10 20 Tb 0.25126673558083 0.13117202016302 0.86749318679817 158.925 > 11 21 Tb 0.36882797983698 0.75126673558083 0.63250681320183 158.925 > 12 *22 Tb 0.00000000000000 0.50000000000000 0.75000000000000 158.925 > 13 23 Tb 0.74873326441917 0.86882797983698 0.86749318679817 158.925 > 14 24 Tb 0.13117202016302 0.74873326441917 0.13250681320183 158.925 > 10 25 Tb 0.75126673558083 0.63117202016302 0.36749318679817 158.925 > 11 26 Tb 0.86882797983698 0.25126673558083 0.13250681320183 158.925 > 12 27 Tb 0.50000000000000 0.00000000000000 0.25000000000000 158.925 > 13 28 Tb 0.24873326441917 0.36882797983698 0.36749318679817 158.925 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.379369300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.379369300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.269964640000000 Atomic positions (fractional): *1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 2 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 1 3 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 1 4 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 1 5 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 > 1 6 Ag 0.75000000000000 0.25000000000000 0.00000000000000 107.868 > 1 7 Ag 0.25000000000000 0.75000000000000 0.00000000000000 107.868 > 1 8 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 > 1 *9 S 0.46511802664304 0.16077644680474 0.45319730468975 32.065 > 2 10 S 0.96511802664304 0.16077644680474 0.45319730468975 32.065 > 2 11 S 0.46511802664304 0.66077644680474 0.45319730468975 32.065 > 2 12 S 0.96511802664304 0.66077644680474 0.45319730468975 32.065 > 2 *13 S 0.09127947771896 0.03846717138725 0.18448861563254 32.065 > 3 14 S 0.59127947771896 0.03846717138725 0.18448861563254 32.065 > 3 15 S 0.09127947771896 0.53846717138725 0.18448861563254 32.065 > 3 16 S 0.59127947771896 0.53846717138725 0.18448861563254 32.065 > 3 17 S 0.28846717138725 0.15872052228104 0.31551138436746 32.065 > 4 18 S 0.78846717138725 0.15872052228104 0.31551138436746 32.065 > 4 19 S 0.28846717138725 0.65872052228104 0.31551138436746 32.065 > 4 20 S 0.78846717138725 0.65872052228104 0.31551138436746 32.065 > 4 21 S 0.08922355319526 0.21511802664304 0.04680269531025 32.065 > 5 22 S 0.58922355319526 0.21511802664304 0.04680269531025 32.065 > 5 23 S 0.08922355319526 0.71511802664304 0.04680269531025 32.065 > 5 24 S 0.58922355319526 0.71511802664304 0.04680269531025 32.065 > 5 25 S 0.16077644680474 0.03488197335696 0.54680269531025 32.065 > 6 26 S 0.66077644680474 0.03488197335696 0.54680269531025 32.065 > 6 27 S 0.16077644680474 0.53488197335696 0.54680269531025 32.065 > 6 28 S 0.66077644680474 0.53488197335696 0.54680269531025 32.065 > 6 29 S 0.15872052228104 0.21153282861275 0.68448861563254 32.065 > 7 30 S 0.65872052228104 0.21153282861275 0.68448861563254 32.065 > 7 31 S 0.15872052228104 0.71153282861275 0.68448861563254 32.065 > 7 32 S 0.65872052228104 0.71153282861275 0.68448861563254 32.065 > 7 33 S 0.46153282861275 0.09127947771896 0.81551138436746 32.065 > 8 34 S 0.96153282861275 0.09127947771896 0.81551138436746 32.065 > 8 35 S 0.46153282861275 0.59127947771896 0.81551138436746 32.065 > 8 36 S 0.96153282861275 0.59127947771896 0.81551138436746 32.065 > 8 37 S 0.28488197335696 0.08922355319526 0.95319730468975 32.065 > 9 38 S 0.78488197335696 0.08922355319526 0.95319730468975 32.065 > 9 39 S 0.28488197335696 0.58922355319526 0.95319730468975 32.065 > 9 40 S 0.78488197335696 0.58922355319526 0.95319730468975 32.065 > 9 41 S 0.21511802664304 0.41077644680474 0.95319730468975 32.065 > 2 42 S 0.71511802664304 0.41077644680474 0.95319730468975 32.065 > 2 43 S 0.21511802664304 0.91077644680474 0.95319730468975 32.065 > 2 44 S 0.71511802664304 0.91077644680474 0.95319730468975 32.065 > 2 45 S 0.34127947771896 0.28846717138725 0.68448861563254 32.065 > 3 46 S 0.84127947771896 0.28846717138725 0.68448861563254 32.065 > 3 47 S 0.34127947771896 0.78846717138725 0.68448861563254 32.065 > 3 48 S 0.84127947771896 0.78846717138725 0.68448861563254 32.065 > 3 49 S 0.03846717138725 0.40872052228104 0.81551138436746 32.065 > 4 50 S 0.53846717138725 0.40872052228104 0.81551138436746 32.065 > 4 51 S 0.03846717138725 0.90872052228104 0.81551138436746 32.065 > 4 52 S 0.53846717138725 0.90872052228104 0.81551138436746 32.065 > 4 53 S 0.33922355319526 0.46511802664304 0.54680269531025 32.065 > 5 54 S 0.83922355319526 0.46511802664304 0.54680269531025 32.065 > 5 55 S 0.33922355319526 0.96511802664304 0.54680269531025 32.065 > 5 56 S 0.83922355319526 0.96511802664304 0.54680269531025 32.065 > 5 57 S 0.41077644680474 0.28488197335696 0.04680269531025 32.065 > 6 58 S 0.91077644680474 0.28488197335696 0.04680269531025 32.065 > 6 59 S 0.41077644680474 0.78488197335696 0.04680269531025 32.065 > 6 60 S 0.91077644680474 0.78488197335696 0.04680269531025 32.065 > 6 61 S 0.40872052228104 0.46153282861275 0.18448861563254 32.065 > 7 62 S 0.90872052228104 0.46153282861275 0.18448861563254 32.065 > 7 63 S 0.40872052228104 0.96153282861275 0.18448861563254 32.065 > 7 64 S 0.90872052228104 0.96153282861275 0.18448861563254 32.065 > 7 65 S 0.21153282861275 0.34127947771896 0.31551138436746 32.065 > 8 66 S 0.71153282861275 0.34127947771896 0.31551138436746 32.065 > 8 67 S 0.21153282861275 0.84127947771896 0.31551138436746 32.065 > 8 68 S 0.71153282861275 0.84127947771896 0.31551138436746 32.065 > 8 69 S 0.03488197335696 0.33922355319526 0.45319730468975 32.065 > 9 70 S 0.53488197335696 0.33922355319526 0.45319730468975 32.065 > 9 71 S 0.03488197335696 0.83922355319526 0.45319730468975 32.065 > 9 72 S 0.53488197335696 0.83922355319526 0.45319730468975 32.065 > 9 *73 Tb 0.31558601008151 0.12436663220958 0.63250681320183 158.925 > 10 74 Tb 0.81558601008151 0.12436663220958 0.63250681320183 158.925 > 10 75 Tb 0.31558601008151 0.62436663220958 0.63250681320183 158.925 > 10 76 Tb 0.81558601008151 0.62436663220958 0.63250681320183 158.925 > 10 77 Tb 0.12563336779042 0.06558601008151 0.86749318679817 158.925 > 11 78 Tb 0.62563336779042 0.06558601008151 0.86749318679817 158.925 > 11 79 Tb 0.12563336779042 0.56558601008151 0.86749318679817 158.925 > 11 80 Tb 0.62563336779042 0.56558601008151 0.86749318679817 158.925 > 11 81 Tb 0.18441398991849 0.37563336779042 0.63250681320183 158.925 > 12 82 Tb 0.68441398991849 0.37563336779042 0.63250681320183 158.925 > 12 83 Tb 0.18441398991849 0.87563336779042 0.63250681320183 158.925 > 12 84 Tb 0.68441398991849 0.87563336779042 0.63250681320183 158.925 > 12 *85 Tb 0.00000000000000 0.25000000000000 0.75000000000000 158.925 > 13 86 Tb 0.50000000000000 0.25000000000000 0.75000000000000 158.925 > 13 87 Tb 0.00000000000000 0.75000000000000 0.75000000000000 158.925 > 13 88 Tb 0.50000000000000 0.75000000000000 0.75000000000000 158.925 > 13 89 Tb 0.37436663220958 0.43441398991849 0.86749318679817 158.925 > 14 90 Tb 0.87436663220958 0.43441398991849 0.86749318679817 158.925 > 14 91 Tb 0.37436663220958 0.93441398991849 0.86749318679817 158.925 > 14 92 Tb 0.87436663220958 0.93441398991849 0.86749318679817 158.925 > 14 93 Tb 0.06558601008151 0.37436663220958 0.13250681320183 158.925 > 10 94 Tb 0.56558601008151 0.37436663220958 0.13250681320183 158.925 > 10 95 Tb 0.06558601008151 0.87436663220958 0.13250681320183 158.925 > 10 96 Tb 0.56558601008151 0.87436663220958 0.13250681320183 158.925 > 10 97 Tb 0.37563336779042 0.31558601008151 0.36749318679817 158.925 > 11 98 Tb 0.87563336779042 0.31558601008151 0.36749318679817 158.925 > 11 99 Tb 0.37563336779042 0.81558601008151 0.36749318679817 158.925 > 11 100 Tb 0.87563336779042 0.81558601008151 0.36749318679817 158.925 > 11 101 Tb 0.43441398991849 0.12563336779042 0.13250681320183 158.925 > 12 102 Tb 0.93441398991849 0.12563336779042 0.13250681320183 158.925 > 12 103 Tb 0.43441398991849 0.62563336779042 0.13250681320183 158.925 > 12 104 Tb 0.93441398991849 0.62563336779042 0.13250681320183 158.925 > 12 105 Tb 0.25000000000000 0.00000000000000 0.25000000000000 158.925 > 13 106 Tb 0.75000000000000 0.00000000000000 0.25000000000000 158.925 > 13 107 Tb 0.25000000000000 0.50000000000000 0.25000000000000 158.925 > 13 108 Tb 0.75000000000000 0.50000000000000 0.25000000000000 158.925 > 13 109 Tb 0.12436663220958 0.18441398991849 0.36749318679817 158.925 > 14 110 Tb 0.62436663220958 0.18441398991849 0.36749318679817 158.925 > 14 111 Tb 0.12436663220958 0.68441398991849 0.36749318679817 158.925 > 14 112 Tb 0.62436663220958 0.68441398991849 0.36749318679817 158.925 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5431802 0.0000011 0.0000000 -0.0000011 9.5431802 0.0000000 0.0000000 0.0000000 9.2839837 -------------------------- Born effective charges -------------------------- 1 Ag 1.4386791 0.1415782 0.0000000 -0.1415782 1.4386791 0.0000000 -0.0000000 0.0000000 1.2504638 2 S -2.9585833 -0.0016840 0.2345405 0.1087543 -2.0765737 -0.3119200 0.2662016 -0.2749136 -2.9153820 3 S -2.7702233 0.2532960 -0.0860680 0.2905187 -2.8431855 -0.2087900 -0.0769299 -0.4172271 -2.4371256 4 S -2.8431855 -0.2905187 0.2087900 -0.2532960 -2.7702233 -0.0860680 0.4172271 -0.0769299 -2.4371256 5 S -2.0765737 -0.1087543 -0.3119200 0.0016840 -2.9585833 -0.2345405 -0.2749136 -0.2662016 -2.9153820 6 S -2.0765737 -0.1087543 0.3119200 0.0016840 -2.9585833 0.2345405 0.2749136 0.2662016 -2.9153820 7 S -2.7702233 0.2532960 0.0860680 0.2905187 -2.8431855 0.2087900 0.0769299 0.4172271 -2.4371256 8 S -2.8431855 -0.2905187 -0.2087900 -0.2532960 -2.7702233 0.0860680 -0.4172271 0.0769299 -2.4371256 9 S -2.9585833 -0.0016840 -0.2345405 0.1087543 -2.0765737 0.3119200 -0.2662016 0.2749136 -2.9153820 10 Tb 3.9767303 0.1328339 0.0109621 0.0952555 4.0432868 -0.0105696 -0.0226824 -0.0581025 4.0039706 11 Tb 4.0432868 -0.0952555 -0.0105696 -0.1328339 3.9767303 -0.0109621 -0.0581025 0.0226824 4.0039706 12 Tb 3.9767303 0.1328339 -0.0109621 0.0952555 4.0432868 0.0105696 0.0226824 0.0581025 4.0039706 13 Tb 3.8184180 0.0785868 0.0000000 -0.0785868 3.8184180 0.0000000 -0.0000000 0.0000000 4.1436842 14 Tb 4.0432868 -0.0952555 0.0105696 -0.1328339 3.9767303 0.0109621 0.0581025 -0.0226824 4.0039706 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 8844/8844 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1828 Number of blocks in projector: 1828 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 780 Use submatrix version of eigh solver. (1) Block: 500 / 780 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 780 / 780 (1) 268 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 8 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1828, 1796), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (220, 215), data: True |-- (388, 381), data: True |-- (436, 428), data: True |-- (780, 768), data: False |-- (780, 12), data: (780, 24) @ (24, 12) |-- (280, 268), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.051 Solver_block: 200 / 480 - Time: 2.987 Solver_block: 300 / 480 - Time: 3.032 Solver_block: 400 / 480 - Time: 3.064 Solver_block: 480 / 480 - Time: 2.474 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.856 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 8844/8844 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1828 Number of blocks in projector: 1828 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 8 --- Eigsh_solver_block: 1 / 8 --- Block_size: 780 Use submatrix version of eigh solver. (1) Block: 500 / 780 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 780 / 780 (1) 268 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 8 --- Block_size: 436 Use standard eigh solver. --- Eigsh_solver_block: 3 / 8 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 4 / 8 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 8 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 8 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1828, 1796), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (220, 215), data: True |-- (388, 381), data: True |-- (436, 428), data: True |-- (780, 768), data: False |-- (780, 12), data: (780, 24) @ (24, 12) |-- (280, 268), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 09:22:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:22:45]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.094842325000000 4.094842325000000 4.134982320000000 b 4.094842325000000 -4.094842325000000 4.134982320000000 c 4.094842325000000 4.094842325000000 -4.134982320000000 Atomic positions (fractional): 1 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 2 S 0.77475019829922 0.38343335797583 0.25178894689555 32.065 3 S 0.26142295840703 0.36704757107046 0.25949329821242 32.065 4 S 0.63295242892954 0.89244572714196 0.89437538733657 32.065 5 S 0.47703874859633 0.22524980170078 0.60868315967660 32.065 6 S 0.61656664202417 0.86835558891973 0.39131684032340 32.065 7 S 0.10755427285804 0.00192966019462 0.74050670178758 32.065 8 S 0.99807033980538 0.73857704159296 0.10562461266343 32.065 9 S 0.13164441108027 0.52296125140367 0.74821105310445 32.065 10 Tb 0.88124007762099 0.26367883336485 0.87990528458219 158.925 11 Tb 0.99866520696120 0.11875992237901 0.38243875574386 158.925 12 Tb 0.38377354878266 0.00133479303880 0.12009471541781 158.925 13 Tb 0.25000000000000 0.75000000000000 0.50000000000000 158.925 14 Tb 0.73632116663515 0.61622645121734 0.61756124425614 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.379369300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.379369300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.269964640000000 Atomic positions (fractional): 1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 2 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 1 3 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 1 4 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 1 5 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 > 1 6 Ag 0.75000000000000 0.25000000000000 0.00000000000000 107.868 > 1 7 Ag 0.25000000000000 0.75000000000000 0.00000000000000 107.868 > 1 8 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 > 1 9 S 0.46511802664304 0.16077644680474 0.45319730468975 32.065 > 9 10 S 0.96511802664304 0.16077644680474 0.45319730468975 32.065 > 9 11 S 0.46511802664304 0.66077644680474 0.45319730468975 32.065 > 9 12 S 0.96511802664304 0.66077644680474 0.45319730468975 32.065 > 9 13 S 0.09127947771896 0.03846717138725 0.18448861563254 32.065 > 13 14 S 0.59127947771896 0.03846717138725 0.18448861563254 32.065 > 13 15 S 0.09127947771896 0.53846717138725 0.18448861563254 32.065 > 13 16 S 0.59127947771896 0.53846717138725 0.18448861563254 32.065 > 13 17 S 0.28846717138725 0.15872052228104 0.31551138436746 32.065 > 17 18 S 0.78846717138725 0.15872052228104 0.31551138436746 32.065 > 17 19 S 0.28846717138725 0.65872052228104 0.31551138436746 32.065 > 17 20 S 0.78846717138725 0.65872052228104 0.31551138436746 32.065 > 17 21 S 0.08922355319526 0.21511802664304 0.04680269531025 32.065 > 21 22 S 0.58922355319526 0.21511802664304 0.04680269531025 32.065 > 21 23 S 0.08922355319526 0.71511802664304 0.04680269531025 32.065 > 21 24 S 0.58922355319526 0.71511802664304 0.04680269531025 32.065 > 21 25 S 0.16077644680474 0.03488197335696 0.54680269531025 32.065 > 25 26 S 0.66077644680474 0.03488197335696 0.54680269531025 32.065 > 25 27 S 0.16077644680474 0.53488197335696 0.54680269531025 32.065 > 25 28 S 0.66077644680474 0.53488197335696 0.54680269531025 32.065 > 25 29 S 0.15872052228104 0.21153282861275 0.68448861563254 32.065 > 29 30 S 0.65872052228104 0.21153282861275 0.68448861563254 32.065 > 29 31 S 0.15872052228104 0.71153282861275 0.68448861563254 32.065 > 29 32 S 0.65872052228104 0.71153282861275 0.68448861563254 32.065 > 29 33 S 0.46153282861275 0.09127947771896 0.81551138436746 32.065 > 33 34 S 0.96153282861275 0.09127947771896 0.81551138436746 32.065 > 33 35 S 0.46153282861275 0.59127947771896 0.81551138436746 32.065 > 33 36 S 0.96153282861275 0.59127947771896 0.81551138436746 32.065 > 33 37 S 0.28488197335696 0.08922355319526 0.95319730468975 32.065 > 37 38 S 0.78488197335696 0.08922355319526 0.95319730468975 32.065 > 37 39 S 0.28488197335696 0.58922355319526 0.95319730468975 32.065 > 37 40 S 0.78488197335696 0.58922355319526 0.95319730468975 32.065 > 37 41 S 0.21511802664304 0.41077644680474 0.95319730468975 32.065 > 9 42 S 0.71511802664304 0.41077644680474 0.95319730468975 32.065 > 9 43 S 0.21511802664304 0.91077644680474 0.95319730468975 32.065 > 9 44 S 0.71511802664304 0.91077644680474 0.95319730468975 32.065 > 9 45 S 0.34127947771896 0.28846717138725 0.68448861563254 32.065 > 13 46 S 0.84127947771896 0.28846717138725 0.68448861563254 32.065 > 13 47 S 0.34127947771896 0.78846717138725 0.68448861563254 32.065 > 13 48 S 0.84127947771896 0.78846717138725 0.68448861563254 32.065 > 13 49 S 0.03846717138725 0.40872052228104 0.81551138436746 32.065 > 17 50 S 0.53846717138725 0.40872052228104 0.81551138436746 32.065 > 17 51 S 0.03846717138725 0.90872052228104 0.81551138436746 32.065 > 17 52 S 0.53846717138725 0.90872052228104 0.81551138436746 32.065 > 17 53 S 0.33922355319526 0.46511802664304 0.54680269531025 32.065 > 21 54 S 0.83922355319526 0.46511802664304 0.54680269531025 32.065 > 21 55 S 0.33922355319526 0.96511802664304 0.54680269531025 32.065 > 21 56 S 0.83922355319526 0.96511802664304 0.54680269531025 32.065 > 21 57 S 0.41077644680474 0.28488197335696 0.04680269531025 32.065 > 25 58 S 0.91077644680474 0.28488197335696 0.04680269531025 32.065 > 25 59 S 0.41077644680474 0.78488197335696 0.04680269531025 32.065 > 25 60 S 0.91077644680474 0.78488197335696 0.04680269531025 32.065 > 25 61 S 0.40872052228104 0.46153282861275 0.18448861563254 32.065 > 29 62 S 0.90872052228104 0.46153282861275 0.18448861563254 32.065 > 29 63 S 0.40872052228104 0.96153282861275 0.18448861563254 32.065 > 29 64 S 0.90872052228104 0.96153282861275 0.18448861563254 32.065 > 29 65 S 0.21153282861275 0.34127947771896 0.31551138436746 32.065 > 33 66 S 0.71153282861275 0.34127947771896 0.31551138436746 32.065 > 33 67 S 0.21153282861275 0.84127947771896 0.31551138436746 32.065 > 33 68 S 0.71153282861275 0.84127947771896 0.31551138436746 32.065 > 33 69 S 0.03488197335696 0.33922355319526 0.45319730468975 32.065 > 37 70 S 0.53488197335696 0.33922355319526 0.45319730468975 32.065 > 37 71 S 0.03488197335696 0.83922355319526 0.45319730468975 32.065 > 37 72 S 0.53488197335696 0.83922355319526 0.45319730468975 32.065 > 37 73 Tb 0.31558601008151 0.12436663220958 0.63250681320183 158.925 > 73 74 Tb 0.81558601008151 0.12436663220958 0.63250681320183 158.925 > 73 75 Tb 0.31558601008151 0.62436663220958 0.63250681320183 158.925 > 73 76 Tb 0.81558601008151 0.62436663220958 0.63250681320183 158.925 > 73 77 Tb 0.12563336779042 0.06558601008151 0.86749318679817 158.925 > 77 78 Tb 0.62563336779042 0.06558601008151 0.86749318679817 158.925 > 77 79 Tb 0.12563336779042 0.56558601008151 0.86749318679817 158.925 > 77 80 Tb 0.62563336779042 0.56558601008151 0.86749318679817 158.925 > 77 81 Tb 0.18441398991849 0.37563336779042 0.63250681320183 158.925 > 81 82 Tb 0.68441398991849 0.37563336779042 0.63250681320183 158.925 > 81 83 Tb 0.18441398991849 0.87563336779042 0.63250681320183 158.925 > 81 84 Tb 0.68441398991849 0.87563336779042 0.63250681320183 158.925 > 81 85 Tb 0.00000000000000 0.25000000000000 0.75000000000000 158.925 > 85 86 Tb 0.50000000000000 0.25000000000000 0.75000000000000 158.925 > 85 87 Tb 0.00000000000000 0.75000000000000 0.75000000000000 158.925 > 85 88 Tb 0.50000000000000 0.75000000000000 0.75000000000000 158.925 > 85 89 Tb 0.37436663220958 0.43441398991849 0.86749318679817 158.925 > 89 90 Tb 0.87436663220958 0.43441398991849 0.86749318679817 158.925 > 89 91 Tb 0.37436663220958 0.93441398991849 0.86749318679817 158.925 > 89 92 Tb 0.87436663220958 0.93441398991849 0.86749318679817 158.925 > 89 93 Tb 0.06558601008151 0.37436663220958 0.13250681320183 158.925 > 73 94 Tb 0.56558601008151 0.37436663220958 0.13250681320183 158.925 > 73 95 Tb 0.06558601008151 0.87436663220958 0.13250681320183 158.925 > 73 96 Tb 0.56558601008151 0.87436663220958 0.13250681320183 158.925 > 73 97 Tb 0.37563336779042 0.31558601008151 0.36749318679817 158.925 > 77 98 Tb 0.87563336779042 0.31558601008151 0.36749318679817 158.925 > 77 99 Tb 0.37563336779042 0.81558601008151 0.36749318679817 158.925 > 77 100 Tb 0.87563336779042 0.81558601008151 0.36749318679817 158.925 > 77 101 Tb 0.43441398991849 0.12563336779042 0.13250681320183 158.925 > 81 102 Tb 0.93441398991849 0.12563336779042 0.13250681320183 158.925 > 81 103 Tb 0.43441398991849 0.62563336779042 0.13250681320183 158.925 > 81 104 Tb 0.93441398991849 0.62563336779042 0.13250681320183 158.925 > 81 105 Tb 0.25000000000000 0.00000000000000 0.25000000000000 158.925 > 85 106 Tb 0.75000000000000 0.00000000000000 0.25000000000000 158.925 > 85 107 Tb 0.25000000000000 0.50000000000000 0.25000000000000 158.925 > 85 108 Tb 0.75000000000000 0.50000000000000 0.25000000000000 158.925 > 85 109 Tb 0.12436663220958 0.18441398991849 0.36749318679817 158.925 > 89 110 Tb 0.62436663220958 0.18441398991849 0.36749318679817 158.925 > 89 111 Tb 0.12436663220958 0.68441398991849 0.36749318679817 158.925 > 89 112 Tb 0.62436663220958 0.68441398991849 0.36749318679817 158.925 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.5431802 0.0000011 0.0000000 -0.0000011 9.5431802 0.0000000 0.0000000 0.0000000 9.2839837 -------------------------- Born effective charges -------------------------- 1 Ag 1.4386791 0.1415782 0.0000000 -0.1415782 1.4386791 0.0000000 -0.0000000 0.0000000 1.2504638 2 S -2.9585833 -0.0016840 0.2345405 0.1087543 -2.0765737 -0.3119200 0.2662016 -0.2749136 -2.9153820 3 S -2.7702233 0.2532960 -0.0860680 0.2905187 -2.8431855 -0.2087900 -0.0769299 -0.4172271 -2.4371256 4 S -2.8431855 -0.2905187 0.2087900 -0.2532960 -2.7702233 -0.0860680 0.4172271 -0.0769299 -2.4371256 5 S -2.0765737 -0.1087543 -0.3119200 0.0016840 -2.9585833 -0.2345405 -0.2749136 -0.2662016 -2.9153820 6 S -2.0765737 -0.1087543 0.3119200 0.0016840 -2.9585833 0.2345405 0.2749136 0.2662016 -2.9153820 7 S -2.7702233 0.2532960 0.0860680 0.2905187 -2.8431855 0.2087900 0.0769299 0.4172271 -2.4371256 8 S -2.8431855 -0.2905187 -0.2087900 -0.2532960 -2.7702233 0.0860680 -0.4172271 0.0769299 -2.4371256 9 S -2.9585833 -0.0016840 -0.2345405 0.1087543 -2.0765737 0.3119200 -0.2662016 0.2749136 -2.9153820 10 Tb 3.9767303 0.1328339 0.0109621 0.0952555 4.0432868 -0.0105696 -0.0226824 -0.0581025 4.0039706 11 Tb 4.0432868 -0.0952555 -0.0105696 -0.1328339 3.9767303 -0.0109621 -0.0581025 0.0226824 4.0039706 12 Tb 3.9767303 0.1328339 -0.0109621 0.0952555 4.0432868 0.0105696 0.0226824 0.0581025 4.0039706 13 Tb 3.8184180 0.0785868 0.0000000 -0.0785868 3.8184180 0.0000000 -0.0000000 0.0000000 4.1436842 14 Tb 4.0432868 -0.0952555 0.0105696 -0.1328339 3.9767303 0.0109621 0.0581025 -0.0226824 4.0039706 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) 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 09:23:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:23:04]------------------------- 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 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I-4 (82) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.094842325000000 4.094842325000000 4.134982320000000 b 4.094842325000000 -4.094842325000000 4.134982320000000 c 4.094842325000000 4.094842325000000 -4.134982320000000 Atomic positions (fractional): 1 Ag 0.50000000000000 0.50000000000000 0.00000000000000 107.868 2 S 0.77475019829922 0.38343335797583 0.25178894689555 32.065 3 S 0.26142295840703 0.36704757107046 0.25949329821242 32.065 4 S 0.63295242892954 0.89244572714196 0.89437538733657 32.065 5 S 0.47703874859633 0.22524980170078 0.60868315967660 32.065 6 S 0.61656664202417 0.86835558891973 0.39131684032340 32.065 7 S 0.10755427285804 0.00192966019462 0.74050670178758 32.065 8 S 0.99807033980538 0.73857704159296 0.10562461266343 32.065 9 S 0.13164441108027 0.52296125140367 0.74821105310445 32.065 10 Tb 0.88124007762099 0.26367883336485 0.87990528458219 158.925 11 Tb 0.99866520696120 0.11875992237901 0.38243875574386 158.925 12 Tb 0.38377354878266 0.00133479303880 0.12009471541781 158.925 13 Tb 0.25000000000000 0.75000000000000 0.50000000000000 158.925 14 Tb 0.73632116663515 0.61622645121734 0.61756124425614 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.379369300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.379369300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.269964640000000 Atomic positions (fractional): 1 Ag 0.00000000000000 0.00000000000000 0.50000000000000 107.868 > 1 2 Ag 0.50000000000000 0.00000000000000 0.50000000000000 107.868 > 1 3 Ag 0.00000000000000 0.50000000000000 0.50000000000000 107.868 > 1 4 Ag 0.50000000000000 0.50000000000000 0.50000000000000 107.868 > 1 5 Ag 0.25000000000000 0.25000000000000 0.00000000000000 107.868 > 1 6 Ag 0.75000000000000 0.25000000000000 0.00000000000000 107.868 > 1 7 Ag 0.25000000000000 0.75000000000000 0.00000000000000 107.868 > 1 8 Ag 0.75000000000000 0.75000000000000 0.00000000000000 107.868 > 1 9 S 0.46511802664304 0.16077644680474 0.45319730468975 32.065 > 9 10 S 0.96511802664304 0.16077644680474 0.45319730468975 32.065 > 9 11 S 0.46511802664304 0.66077644680474 0.45319730468975 32.065 > 9 12 S 0.96511802664304 0.66077644680474 0.45319730468975 32.065 > 9 13 S 0.09127947771896 0.03846717138725 0.18448861563254 32.065 > 13 14 S 0.59127947771896 0.03846717138725 0.18448861563254 32.065 > 13 15 S 0.09127947771896 0.53846717138725 0.18448861563254 32.065 > 13 16 S 0.59127947771896 0.53846717138725 0.18448861563254 32.065 > 13 17 S 0.28846717138725 0.15872052228104 0.31551138436746 32.065 > 17 18 S 0.78846717138725 0.15872052228104 0.31551138436746 32.065 > 17 19 S 0.28846717138725 0.65872052228104 0.31551138436746 32.065 > 17 20 S 0.78846717138725 0.65872052228104 0.31551138436746 32.065 > 17 21 S 0.08922355319526 0.21511802664304 0.04680269531025 32.065 > 21 22 S 0.58922355319526 0.21511802664304 0.04680269531025 32.065 > 21 23 S 0.08922355319526 0.71511802664304 0.04680269531025 32.065 > 21 24 S 0.58922355319526 0.71511802664304 0.04680269531025 32.065 > 21 25 S 0.16077644680474 0.03488197335696 0.54680269531025 32.065 > 25 26 S 0.66077644680474 0.03488197335696 0.54680269531025 32.065 > 25 27 S 0.16077644680474 0.53488197335696 0.54680269531025 32.065 > 25 28 S 0.66077644680474 0.53488197335696 0.54680269531025 32.065 > 25 29 S 0.15872052228104 0.21153282861275 0.68448861563254 32.065 > 29 30 S 0.65872052228104 0.21153282861275 0.68448861563254 32.065 > 29 31 S 0.15872052228104 0.71153282861275 0.68448861563254 32.065 > 29 32 S 0.65872052228104 0.71153282861275 0.68448861563254 32.065 > 29 33 S 0.46153282861275 0.09127947771896 0.81551138436746 32.065 > 33 34 S 0.96153282861275 0.09127947771896 0.81551138436746 32.065 > 33 35 S 0.46153282861275 0.59127947771896 0.81551138436746 32.065 > 33 36 S 0.96153282861275 0.59127947771896 0.81551138436746 32.065 > 33 37 S 0.28488197335696 0.08922355319526 0.95319730468975 32.065 > 37 38 S 0.78488197335696 0.08922355319526 0.95319730468975 32.065 > 37 39 S 0.28488197335696 0.58922355319526 0.95319730468975 32.065 > 37 40 S 0.78488197335696 0.58922355319526 0.95319730468975 32.065 > 37 41 S 0.21511802664304 0.41077644680474 0.95319730468975 32.065 > 9 42 S 0.71511802664304 0.41077644680474 0.95319730468975 32.065 > 9 43 S 0.21511802664304 0.91077644680474 0.95319730468975 32.065 > 9 44 S 0.71511802664304 0.91077644680474 0.95319730468975 32.065 > 9 45 S 0.34127947771896 0.28846717138725 0.68448861563254 32.065 > 13 46 S 0.84127947771896 0.28846717138725 0.68448861563254 32.065 > 13 47 S 0.34127947771896 0.78846717138725 0.68448861563254 32.065 > 13 48 S 0.84127947771896 0.78846717138725 0.68448861563254 32.065 > 13 49 S 0.03846717138725 0.40872052228104 0.81551138436746 32.065 > 17 50 S 0.53846717138725 0.40872052228104 0.81551138436746 32.065 > 17 51 S 0.03846717138725 0.90872052228104 0.81551138436746 32.065 > 17 52 S 0.53846717138725 0.90872052228104 0.81551138436746 32.065 > 17 53 S 0.33922355319526 0.46511802664304 0.54680269531025 32.065 > 21 54 S 0.83922355319526 0.46511802664304 0.54680269531025 32.065 > 21 55 S 0.33922355319526 0.96511802664304 0.54680269531025 32.065 > 21 56 S 0.83922355319526 0.96511802664304 0.54680269531025 32.065 > 21 57 S 0.41077644680474 0.28488197335696 0.04680269531025 32.065 > 25 58 S 0.91077644680474 0.28488197335696 0.04680269531025 32.065 > 25 59 S 0.41077644680474 0.78488197335696 0.04680269531025 32.065 > 25 60 S 0.91077644680474 0.78488197335696 0.04680269531025 32.065 > 25 61 S 0.40872052228104 0.46153282861275 0.18448861563254 32.065 > 29 62 S 0.90872052228104 0.46153282861275 0.18448861563254 32.065 > 29 63 S 0.40872052228104 0.96153282861275 0.18448861563254 32.065 > 29 64 S 0.90872052228104 0.96153282861275 0.18448861563254 32.065 > 29 65 S 0.21153282861275 0.34127947771896 0.31551138436746 32.065 > 33 66 S 0.71153282861275 0.34127947771896 0.31551138436746 32.065 > 33 67 S 0.21153282861275 0.84127947771896 0.31551138436746 32.065 > 33 68 S 0.71153282861275 0.84127947771896 0.31551138436746 32.065 > 33 69 S 0.03488197335696 0.33922355319526 0.45319730468975 32.065 > 37 70 S 0.53488197335696 0.33922355319526 0.45319730468975 32.065 > 37 71 S 0.03488197335696 0.83922355319526 0.45319730468975 32.065 > 37 72 S 0.53488197335696 0.83922355319526 0.45319730468975 32.065 > 37 73 Tb 0.31558601008151 0.12436663220958 0.63250681320183 158.925 > 73 74 Tb 0.81558601008151 0.12436663220958 0.63250681320183 158.925 > 73 75 Tb 0.31558601008151 0.62436663220958 0.63250681320183 158.925 > 73 76 Tb 0.81558601008151 0.62436663220958 0.63250681320183 158.925 > 73 77 Tb 0.12563336779042 0.06558601008151 0.86749318679817 158.925 > 77 78 Tb 0.62563336779042 0.06558601008151 0.86749318679817 158.925 > 77 79 Tb 0.12563336779042 0.56558601008151 0.86749318679817 158.925 > 77 80 Tb 0.62563336779042 0.56558601008151 0.86749318679817 158.925 > 77 81 Tb 0.18441398991849 0.37563336779042 0.63250681320183 158.925 > 81 82 Tb 0.68441398991849 0.37563336779042 0.63250681320183 158.925 > 81 83 Tb 0.18441398991849 0.87563336779042 0.63250681320183 158.925 > 81 84 Tb 0.68441398991849 0.87563336779042 0.63250681320183 158.925 > 81 85 Tb 0.00000000000000 0.25000000000000 0.75000000000000 158.925 > 85 86 Tb 0.50000000000000 0.25000000000000 0.75000000000000 158.925 > 85 87 Tb 0.00000000000000 0.75000000000000 0.75000000000000 158.925 > 85 88 Tb 0.50000000000000 0.75000000000000 0.75000000000000 158.925 > 85 89 Tb 0.37436663220958 0.43441398991849 0.86749318679817 158.925 > 89 90 Tb 0.87436663220958 0.43441398991849 0.86749318679817 158.925 > 89 91 Tb 0.37436663220958 0.93441398991849 0.86749318679817 158.925 > 89 92 Tb 0.87436663220958 0.93441398991849 0.86749318679817 158.925 > 89 93 Tb 0.06558601008151 0.37436663220958 0.13250681320183 158.925 > 73 94 Tb 0.56558601008151 0.37436663220958 0.13250681320183 158.925 > 73 95 Tb 0.06558601008151 0.87436663220958 0.13250681320183 158.925 > 73 96 Tb 0.56558601008151 0.87436663220958 0.13250681320183 158.925 > 73 97 Tb 0.37563336779042 0.31558601008151 0.36749318679817 158.925 > 77 98 Tb 0.87563336779042 0.31558601008151 0.36749318679817 158.925 > 77 99 Tb 0.37563336779042 0.81558601008151 0.36749318679817 158.925 > 77 100 Tb 0.87563336779042 0.81558601008151 0.36749318679817 158.925 > 77 101 Tb 0.43441398991849 0.12563336779042 0.13250681320183 158.925 > 81 102 Tb 0.93441398991849 0.12563336779042 0.13250681320183 158.925 > 81 103 Tb 0.43441398991849 0.62563336779042 0.13250681320183 158.925 > 81 104 Tb 0.93441398991849 0.62563336779042 0.13250681320183 158.925 > 81 105 Tb 0.25000000000000 0.00000000000000 0.25000000000000 158.925 > 85 106 Tb 0.75000000000000 0.00000000000000 0.25000000000000 158.925 > 85 107 Tb 0.25000000000000 0.50000000000000 0.25000000000000 158.925 > 85 108 Tb 0.75000000000000 0.50000000000000 0.25000000000000 158.925 > 85 109 Tb 0.12436663220958 0.18441398991849 0.36749318679817 158.925 > 89 110 Tb 0.62436663220958 0.18441398991849 0.36749318679817 158.925 > 89 111 Tb 0.12436663220958 0.68441398991849 0.36749318679817 158.925 > 89 112 Tb 0.62436663220958 0.68441398991849 0.36749318679817 158.925 > 89 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.5431802 0.0000011 0.0000000 -0.0000011 9.5431802 0.0000000 0.0000000 0.0000000 9.2839837 -------------------------- Born effective charges -------------------------- 1 Ag 1.4386791 0.1415782 0.0000000 -0.1415782 1.4386791 0.0000000 -0.0000000 0.0000000 1.2504638 2 S -2.9585833 -0.0016840 0.2345405 0.1087543 -2.0765737 -0.3119200 0.2662016 -0.2749136 -2.9153820 3 S -2.7702233 0.2532960 -0.0860680 0.2905187 -2.8431855 -0.2087900 -0.0769299 -0.4172271 -2.4371256 4 S -2.8431855 -0.2905187 0.2087900 -0.2532960 -2.7702233 -0.0860680 0.4172271 -0.0769299 -2.4371256 5 S -2.0765737 -0.1087543 -0.3119200 0.0016840 -2.9585833 -0.2345405 -0.2749136 -0.2662016 -2.9153820 6 S -2.0765737 -0.1087543 0.3119200 0.0016840 -2.9585833 0.2345405 0.2749136 0.2662016 -2.9153820 7 S -2.7702233 0.2532960 0.0860680 0.2905187 -2.8431855 0.2087900 0.0769299 0.4172271 -2.4371256 8 S -2.8431855 -0.2905187 -0.2087900 -0.2532960 -2.7702233 0.0860680 -0.4172271 0.0769299 -2.4371256 9 S -2.9585833 -0.0016840 -0.2345405 0.1087543 -2.0765737 0.3119200 -0.2662016 0.2749136 -2.9153820 10 Tb 3.9767303 0.1328339 0.0109621 0.0952555 4.0432868 -0.0105696 -0.0226824 -0.0581025 4.0039706 11 Tb 4.0432868 -0.0952555 -0.0105696 -0.1328339 3.9767303 -0.0109621 -0.0581025 0.0226824 4.0039706 12 Tb 3.9767303 0.1328339 -0.0109621 0.0952555 4.0432868 0.0105696 0.0226824 0.0581025 4.0039706 13 Tb 3.8184180 0.0785868 0.0000000 -0.0785868 3.8184180 0.0000000 -0.0000000 0.0000000 4.1436842 14 Tb 4.0432868 -0.0952555 0.0105696 -0.1328339 3.9767303 0.0109621 0.0581025 -0.0226824 4.0039706 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 321, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.028 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.717 ( -0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.560 ( -0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.324 ( -0.000 0.000 0.000) 0.000 3.538 ( -0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.873 ( -0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.790 ( -0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.153 ( -0.000 0.000 0.000) 0.000 6.207 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 -0.000 0.000) 0.000 6.410 ( 0.000 -0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 7.035 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.344 ( 0.000 0.000 0.000) 0.000 7.687 ( 0.000 -0.000 0.000) 0.000 7.687 ( 0.000 -0.000 0.000) 0.000 7.810 ( -0.000 0.000 0.000) 0.000 8.220 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 9.214 ( 0.000 0.000 0.000) 0.000 9.237 ( 0.000 0.000 0.000) 0.000 9.237 ( 0.000 -0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( -0.476 13.689 16.139) 21.168 0.475 ( 2.575 17.582 15.993) 23.907 0.846 ( -1.043 29.822 25.643) 39.345 1.071 ( -0.181 1.268 5.968) 6.103 1.717 ( -0.231 0.066 -0.135) 0.275 1.726 ( 0.221 1.418 0.068) 1.437 2.090 ( -0.025 0.128 -2.879) 2.882 2.457 ( 0.115 -1.092 1.136) 1.580 2.556 ( 0.253 -0.987 0.426) 1.105 2.572 ( -0.628 0.612 -0.247) 0.911 2.627 ( 0.346 0.917 3.182) 3.330 2.864 ( 0.098 -3.867 -0.758) 3.941 3.278 ( 0.570 -5.200 -1.420) 5.421 3.332 ( -0.840 1.439 -1.514) 2.251 3.584 ( -0.186 0.030 0.612) 0.640 3.692 ( -0.046 -6.094 3.469) 7.012 3.916 ( -1.877 2.864 -1.586) 3.774 3.984 ( 1.475 6.125 -5.060) 8.081 4.627 ( -4.153 -11.672 -1.129) 12.440 4.754 ( 7.641 1.050 -0.243) 7.717 5.043 ( -3.535 19.513 -5.163) 20.492 5.584 ( 0.030 1.240 2.658) 2.933 6.124 ( -2.271 -2.468 -3.349) 4.740 6.168 ( 3.146 2.667 -3.179) 5.207 6.220 ( -0.836 1.236 0.080) 1.494 6.374 ( 2.255 0.226 -4.402) 4.951 6.392 ( -2.312 2.357 -4.594) 5.657 7.043 ( -0.577 -6.356 2.909) 7.013 7.087 ( 4.882 -0.074 3.266) 5.874 7.154 ( -3.275 -1.747 -0.783) 3.794 7.308 ( 0.340 -0.889 -2.452) 2.630 7.698 ( -0.801 -0.819 5.016) 5.145 7.771 ( 1.184 5.586 4.947) 7.555 7.823 ( -0.576 6.676 0.133) 6.702 8.202 ( -0.039 0.167 -2.480) 2.486 8.386 ( -0.020 -0.858 2.789) 2.918 8.592 ( -0.193 -5.827 -0.398) 5.844 8.782 ( -0.063 -5.482 6.713) 8.668 9.193 ( -0.309 -4.275 1.467) 4.530 9.218 ( -1.033 -2.318 -0.696) 2.632 9.279 ( 1.187 3.613 -2.985) 4.835 9.479 ( -0.058 -1.577 -0.526) 1.664 ======================= Grid point 2 (3/105) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -1.332 11.511 13.708) 17.949 0.874 ( 3.523 10.580 11.270) 15.854 1.086 ( 0.080 7.265 3.625) 8.119 1.591 ( -0.338 13.057 14.891) 19.807 1.718 ( -1.116 0.607 -0.392) 1.330 1.824 ( -0.055 14.163 11.787) 18.426 2.059 ( -0.079 2.075 -2.914) 3.578 2.431 ( -0.171 -3.003 -1.156) 3.222 2.538 ( 0.899 -2.648 0.902) 2.938 2.600 ( -0.900 1.733 1.876) 2.708 2.671 ( 0.526 -0.565 1.488) 1.676 2.822 ( 0.123 -2.997 3.177) 4.369 3.171 ( 0.720 -6.259 -2.313) 6.711 3.293 ( -1.116 -2.367 -3.298) 4.210 3.582 ( -2.880 -1.722 1.756) 3.787 3.698 ( 2.345 0.757 1.523) 2.897 3.863 ( 1.248 -3.614 -3.384) 5.106 4.033 ( -2.139 4.005 -0.476) 4.566 4.469 ( -0.579 -10.015 -0.137) 10.033 4.766 ( 2.959 0.984 -0.311) 3.134 5.228 ( -1.994 14.514 -2.328) 14.834 5.638 ( 0.186 0.542 2.780) 2.839 6.011 ( -0.636 -4.371 -5.679) 7.195 6.169 ( 1.970 4.068 -3.336) 5.618 6.237 ( -0.238 0.409 0.092) 0.482 6.331 ( 0.036 2.528 -3.445) 4.274 6.372 ( -1.687 3.699 -3.278) 5.222 6.947 ( 3.016 -8.801 -0.076) 9.304 7.084 ( -3.152 -2.974 -2.163) 4.843 7.171 ( 2.710 2.207 1.097) 3.663 7.299 ( 0.408 3.332 0.203) 3.363 7.774 ( -1.575 -0.117 6.580) 6.767 7.864 ( -0.115 4.366 -1.306) 4.559 7.994 ( 1.205 10.070 6.422) 12.004 8.173 ( -0.175 1.021 -2.133) 2.371 8.401 ( -0.147 -3.902 2.620) 4.703 8.510 ( -0.559 -5.245 1.366) 5.448 8.794 ( 0.350 0.066 0.667) 0.756 9.135 ( -3.495 -6.180 0.135) 7.101 9.167 ( 1.234 -3.074 -0.865) 3.424 9.282 ( 2.101 0.617 -1.157) 2.477 9.437 ( -0.462 -1.435 -2.441) 2.869 ======================= Grid point 3 (4/105) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( -0.704 0.868 1.849) 2.161 1.128 ( 2.156 9.262 10.938) 14.494 1.351 ( 0.342 12.516 8.635) 15.209 1.687 ( 0.715 -0.050 1.092) 1.306 1.721 ( -0.297 1.382 -0.711) 1.582 2.043 ( -1.082 1.999 -1.092) 2.522 2.307 ( -0.456 5.130 1.764) 5.444 2.382 ( -0.571 5.678 4.599) 7.329 2.528 ( 2.121 -2.300 5.901) 6.679 2.650 ( -0.901 0.368 -0.329) 1.027 2.692 ( -0.761 4.650 5.571) 7.297 2.860 ( -0.117 -2.176 6.419) 6.779 3.068 ( 0.306 -3.863 -1.654) 4.213 3.206 ( -0.726 -3.386 -2.601) 4.331 3.589 ( -4.074 -2.008 2.481) 5.175 3.698 ( 6.959 -1.261 -5.148) 8.747 3.776 ( -1.041 -1.967 0.138) 2.230 4.060 ( -3.027 1.005 -0.366) 3.211 4.352 ( 0.585 -6.196 -1.165) 6.332 4.769 ( 1.122 0.545 -0.636) 1.400 5.356 ( -0.873 8.579 -2.281) 8.920 5.660 ( 0.300 -0.681 0.772) 1.072 5.881 ( -0.148 -3.364 -4.837) 5.893 6.188 ( 3.404 4.454 -2.912) 6.317 6.232 ( 0.933 0.327 -0.506) 1.110 6.336 ( -5.039 3.465 -2.338) 6.547 6.440 ( -0.681 4.870 3.856) 6.249 6.822 ( 3.378 -7.751 -1.327) 8.558 7.015 ( -3.427 -2.467 -1.919) 4.639 7.161 ( 3.514 -1.078 -2.591) 4.497 7.399 ( 0.982 5.463 3.337) 6.477 7.844 ( -1.852 -0.843 2.895) 3.539 7.882 ( -1.749 3.468 -2.014) 4.375 8.155 ( 2.432 2.016 0.528) 3.202 8.230 ( 1.340 7.729 2.701) 8.296 8.361 ( -1.818 -1.932 1.989) 3.316 8.502 ( -0.274 -3.296 4.421) 5.521 8.805 ( 0.617 2.015 -0.999) 2.332 9.035 ( -4.028 -8.450 0.171) 9.363 9.116 ( 1.407 -2.292 -1.207) 2.948 9.259 ( 2.634 -1.112 -1.667) 3.309 9.384 ( -1.033 -1.142 -2.326) 2.790 ======================= Grid point 4 (5/105) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.121 0.097 0.260) 0.303 1.353 ( 1.501 4.989 6.619) 8.424 1.510 ( -1.494 1.826 -0.935) 2.538 1.696 ( -0.059 0.167 0.107) 0.207 1.793 ( 2.177 5.071 5.549) 7.826 2.017 ( -1.773 -1.853 -4.488) 5.169 2.265 ( 0.195 -0.735 0.357) 0.840 2.394 ( 0.343 -1.953 -2.804) 3.434 2.612 ( 1.038 0.594 2.003) 2.333 2.656 ( -0.533 0.814 0.108) 0.979 2.831 ( -0.843 -0.945 3.349) 3.580 2.930 ( -0.533 0.364 0.897) 1.105 3.118 ( -1.318 2.777 4.434) 5.395 3.182 ( 0.240 5.123 6.923) 8.616 3.488 ( 2.056 -7.798 -8.863) 11.983 3.639 ( -0.552 -0.008 0.729) 0.914 3.786 ( 0.517 0.625 0.238) 0.846 4.060 ( -1.420 -0.128 -0.107) 1.429 4.272 ( 0.402 -2.407 -1.283) 2.757 4.767 ( 0.240 0.155 -0.320) 0.429 5.403 ( -0.222 2.455 -1.276) 2.776 5.651 ( 0.195 -0.572 -0.370) 0.708 5.809 ( -0.107 -0.900 -1.428) 1.692 6.199 ( 1.661 0.983 -0.825) 2.100 6.241 ( 0.849 1.159 -0.415) 1.496 6.367 ( -2.876 2.966 -0.264) 4.140 6.541 ( -0.925 0.836 2.745) 3.015 6.732 ( 1.694 -2.335 -0.418) 2.915 6.972 ( -1.257 -1.085 -0.710) 1.805 7.103 ( 1.729 -1.212 -2.324) 3.140 7.493 ( 0.801 2.144 1.938) 2.999 7.836 ( -1.023 1.304 -2.277) 2.816 7.911 ( -1.444 -0.538 1.957) 2.490 8.152 ( 1.009 -0.545 -0.984) 1.511 8.298 ( 1.549 1.367 1.485) 2.544 8.420 ( -0.919 1.169 0.327) 1.522 8.550 ( -0.231 2.709 3.613) 4.522 8.821 ( 0.516 1.491 -0.482) 1.650 8.925 ( -1.952 -6.411 -0.211) 6.705 9.078 ( 0.371 -1.066 -0.602) 1.280 9.221 ( 1.273 -0.629 -1.368) 1.972 9.353 ( -0.533 -0.472 -0.676) 0.982 ======================= Grid point 10 (6/105) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 8.994 6.116 15.382) 18.839 0.787 ( 9.235 14.073 15.870) 23.134 1.037 ( 2.374 2.241 1.316) 3.520 1.453 ( 12.543 11.600 29.411) 34.013 1.725 ( 2.174 -0.118 0.650) 2.272 1.740 ( 1.509 3.514 2.160) 4.393 2.047 ( 0.809 0.749 -3.535) 3.703 2.454 ( -1.399 -1.450 -0.529) 2.083 2.546 ( -1.721 -1.116 0.930) 2.252 2.593 ( 1.984 1.294 0.476) 2.416 2.678 ( -0.797 -0.449 3.161) 3.291 2.847 ( -2.241 -2.190 2.354) 3.919 3.206 ( -5.722 -5.061 -1.969) 7.889 3.322 ( 1.570 0.685 -3.647) 4.029 3.575 ( -0.611 -2.112 0.059) 2.199 3.700 ( -3.390 -2.515 3.060) 5.214 3.912 ( 0.480 2.575 -4.134) 4.894 3.975 ( 4.595 2.179 0.030) 5.086 4.505 ( -10.624 -11.462 1.207) 15.675 4.853 ( 4.006 8.880 -3.663) 10.408 5.061 ( 9.419 5.560 2.137) 11.145 5.635 ( 0.366 0.468 3.748) 3.795 6.052 ( -2.647 -3.850 -4.067) 6.195 6.126 ( 0.073 2.217 -4.472) 4.992 6.243 ( 2.275 1.774 -0.079) 2.885 6.298 ( -0.716 -0.560 -2.789) 2.933 6.360 ( 3.840 2.925 -4.149) 6.365 6.999 ( -7.916 -6.496 -0.001) 10.240 7.094 ( -0.738 -0.899 -0.227) 1.186 7.189 ( 2.409 2.685 0.929) 3.725 7.267 ( 0.705 1.388 -2.613) 3.042 7.785 ( 2.532 2.186 1.864) 3.830 7.835 ( 2.903 -0.423 6.970) 7.562 7.907 ( 2.476 5.682 4.378) 7.588 8.163 ( 1.365 1.145 -3.329) 3.776 8.430 ( -0.803 -0.888 3.828) 4.011 8.557 ( -2.891 -3.472 -0.393) 4.535 8.786 ( -0.806 -0.217 -1.773) 1.960 9.155 ( -3.027 -4.138 -0.770) 5.184 9.230 ( 1.835 -1.303 -2.361) 3.262 9.265 ( -3.208 0.806 2.618) 4.218 9.448 ( -1.353 -1.657 -2.329) 3.162 ======================= Grid point 11 (7/105) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.465 1.848 5.537) 5.856 1.110 ( 9.799 6.541 9.998) 15.452 1.202 ( 3.323 13.444 10.508) 17.384 1.674 ( -1.043 0.784 0.406) 1.366 1.738 ( 3.612 0.618 1.230) 3.866 2.006 ( 0.134 2.457 0.006) 2.461 2.130 ( 5.969 14.840 15.541) 22.302 2.406 ( 0.018 -2.694 -1.145) 2.927 2.559 ( -2.216 -0.402 1.973) 2.994 2.623 ( 2.333 1.714 2.766) 4.004 2.681 ( -0.809 -1.393 0.968) 1.880 2.887 ( -1.279 -2.742 7.091) 7.709 3.100 ( -4.818 -5.289 -2.489) 7.575 3.257 ( 1.493 -2.340 -3.592) 4.539 3.545 ( -4.755 -2.571 1.303) 5.561 3.731 ( 0.209 1.873 0.977) 2.123 3.852 ( 3.476 -2.415 -5.170) 6.681 4.002 ( -1.172 1.333 0.045) 1.776 4.375 ( -10.002 -9.075 0.231) 13.507 4.866 ( 9.980 1.371 -2.405) 10.357 5.214 ( 1.023 10.026 1.849) 10.246 5.674 ( -0.279 -0.929 2.067) 2.283 5.933 ( -1.122 -5.397 -3.739) 6.661 6.121 ( -2.710 5.109 -2.468) 6.288 6.241 ( -0.569 0.424 -1.331) 1.508 6.280 ( 2.848 0.570 -1.581) 3.307 6.399 ( 3.389 4.307 2.707) 6.112 6.897 ( -5.641 -5.693 -2.598) 8.425 7.038 ( -0.310 -3.911 -1.142) 4.086 7.208 ( 0.542 0.149 -2.443) 2.507 7.336 ( 3.968 7.471 2.910) 8.945 7.813 ( 2.278 4.745 -6.016) 7.993 7.876 ( 2.359 -3.428 5.344) 6.773 8.088 ( -1.986 9.239 5.165) 10.770 8.164 ( 2.149 1.714 0.659) 2.827 8.424 ( 1.110 -4.346 0.498) 4.513 8.540 ( -0.729 -2.586 4.607) 5.333 8.766 ( -1.064 2.584 -3.226) 4.268 9.078 ( -3.489 -5.952 -0.227) 6.903 9.173 ( 1.333 -2.371 -2.123) 3.450 9.294 ( -0.370 -0.513 0.874) 1.079 9.379 ( -2.303 -2.156 -3.434) 4.663 ======================= Grid point 12 (8/105) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.560 0.039 0.858) 1.025 1.336 ( 7.201 6.171 8.468) 12.714 1.461 ( 2.288 6.192 4.919) 8.233 1.680 ( -0.372 1.341 -0.441) 1.459 1.794 ( 5.336 3.127 4.642) 7.733 2.008 ( -0.247 0.824 -2.219) 2.380 2.275 ( -1.394 -0.033 -2.387) 2.764 2.400 ( -0.041 -0.028 -2.341) 2.341 2.547 ( -2.993 0.856 -2.334) 3.891 2.686 ( 0.379 -0.732 1.996) 2.159 2.825 ( 1.575 2.870 12.216) 12.647 2.927 ( -1.770 -3.273 3.708) 5.253 3.046 ( -1.827 1.423 3.567) 4.253 3.193 ( 2.302 -0.754 -0.867) 2.573 3.549 ( -4.963 -1.643 2.122) 5.643 3.684 ( 4.580 -3.327 -8.452) 10.173 3.780 ( 0.612 0.363 -0.502) 0.871 4.017 ( -3.927 0.012 1.074) 4.072 4.266 ( -8.163 -5.786 -1.139) 10.070 4.852 ( 9.913 0.010 -0.642) 9.934 5.345 ( 0.279 6.059 1.121) 6.168 5.671 ( -0.202 -2.051 0.972) 2.279 5.832 ( -0.913 -3.809 -1.080) 4.064 6.185 ( -2.885 4.113 0.284) 5.032 6.237 ( 0.803 -0.180 0.380) 0.907 6.277 ( -0.052 2.711 -0.395) 2.740 6.510 ( 1.405 2.682 4.637) 5.538 6.787 ( -2.308 -4.055 -2.877) 5.481 6.988 ( -0.232 -2.370 0.249) 2.394 7.150 ( 0.674 -2.041 -3.605) 4.197 7.476 ( 5.164 6.164 2.161) 8.326 7.775 ( 0.466 5.025 -6.848) 8.507 7.906 ( -0.433 -1.677 3.426) 3.839 8.179 ( 0.502 1.011 0.299) 1.168 8.264 ( -0.474 6.136 0.269) 6.160 8.391 ( 2.419 -1.390 2.724) 3.900 8.569 ( 1.141 -1.973 4.069) 4.664 8.777 ( -0.899 4.521 -2.273) 5.140 8.991 ( -3.270 -7.706 0.995) 8.431 9.113 ( 1.052 -2.075 -2.129) 3.154 9.253 ( 0.606 -2.518 -2.999) 3.962 9.335 ( -2.903 -0.185 -0.417) 2.938 ======================= Grid point 13 (9/105) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -0.404 -0.119 0.167) 0.453 1.418 ( 3.677 -1.710 -2.721) 4.884 1.554 ( 5.138 1.921 4.411) 7.039 1.692 ( 0.041 0.592 -0.385) 0.708 1.860 ( 1.670 -4.180 -3.242) 5.547 2.009 ( 3.135 3.545 5.015) 6.895 2.268 ( 0.669 0.686 -1.384) 1.684 2.342 ( -2.597 1.253 -2.199) 3.627 2.531 ( -5.309 1.856 -3.202) 6.472 2.695 ( -1.286 -1.764 1.484) 2.640 2.850 ( -0.122 -3.117 -1.028) 3.284 2.940 ( -0.039 -0.682 2.836) 2.917 3.108 ( -1.239 1.286 -1.702) 2.467 3.286 ( 1.972 0.418 -0.340) 2.045 3.437 ( 4.017 -3.763 -1.311) 5.658 3.629 ( -1.283 0.854 0.289) 1.568 3.776 ( -0.502 0.996 -1.265) 1.687 4.029 ( -6.069 -0.485 1.418) 6.252 4.210 ( -5.656 -1.213 0.499) 5.806 4.851 ( 9.993 -0.336 0.737) 10.026 5.418 ( 0.476 1.207 2.867) 3.147 5.656 ( -0.157 -1.918 1.284) 2.313 5.807 ( -0.989 -1.465 2.265) 2.873 6.193 ( -3.603 -1.802 0.212) 4.034 6.242 ( 0.393 -0.948 1.276) 1.638 6.367 ( -0.394 5.746 2.692) 6.358 6.540 ( -0.368 -1.713 -0.742) 1.903 6.739 ( 0.948 -1.510 -0.229) 1.798 6.977 ( -0.290 0.015 0.850) 0.898 7.090 ( -0.076 -1.358 -0.280) 1.388 7.517 ( 4.275 1.447 -3.581) 5.761 7.809 ( -0.086 5.649 0.438) 5.666 7.915 ( 0.772 0.549 -0.833) 1.262 8.175 ( 0.833 -2.118 0.846) 2.428 8.282 ( -1.511 1.130 -2.806) 3.381 8.414 ( 0.997 -0.060 -0.309) 1.046 8.610 ( 3.109 0.973 0.630) 3.318 8.809 ( -1.173 1.438 -0.567) 1.940 8.910 ( -0.023 -3.044 0.648) 3.113 9.071 ( -0.066 -0.550 -0.904) 1.060 9.198 ( -2.148 -0.760 -0.995) 2.487 9.341 ( -1.334 0.424 0.892) 1.660 ======================= Grid point 14 (10/105) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.348 -0.544 -0.463) 0.794 1.280 ( 6.193 -7.251 -7.391) 12.065 1.532 ( 3.663 -10.214 -4.452) 11.729 1.681 ( 0.034 -0.053 -0.830) 0.833 1.756 ( 2.214 -1.144 -0.204) 2.501 2.091 ( 1.674 -1.929 1.376) 2.901 2.276 ( 1.135 4.146 1.977) 4.731 2.395 ( -3.391 4.625 0.170) 5.737 2.505 ( -2.993 -0.566 -3.804) 4.874 2.673 ( -1.384 -2.428 -0.375) 2.820 2.795 ( 1.567 -0.339 -4.896) 5.152 2.895 ( 3.951 -8.920 -8.718) 13.083 3.027 ( -2.466 -2.382 -2.002) 3.970 3.176 ( 0.666 2.199 0.138) 2.302 3.533 ( -4.022 3.615 2.394) 5.914 3.642 ( 1.360 1.980 0.266) 2.417 3.775 ( 0.104 0.383 -0.400) 0.564 4.060 ( -4.472 1.926 1.523) 5.101 4.228 ( -6.015 0.951 1.355) 6.238 4.860 ( 10.730 -0.584 1.292) 10.824 5.453 ( 0.296 -4.279 4.720) 6.378 5.653 ( -0.410 -0.638 0.350) 0.835 5.848 ( -1.073 0.305 5.340) 5.455 6.176 ( -5.683 -3.280 3.142) 7.275 6.240 ( 0.688 -1.330 0.879) 1.736 6.445 ( 3.490 -1.641 3.219) 5.024 6.503 ( -0.077 -0.703 -1.930) 2.056 6.699 ( -0.374 0.999 -2.256) 2.495 7.019 ( -0.284 2.062 2.443) 3.210 7.113 ( -0.593 0.848 3.145) 3.311 7.452 ( 2.241 -1.586 -5.087) 5.781 7.865 ( 1.725 0.602 -1.060) 2.112 7.920 ( 2.705 2.665 -0.815) 3.883 8.155 ( -1.562 -1.320 -0.633) 2.141 8.249 ( -1.419 -1.657 -0.512) 2.241 8.389 ( -0.743 -0.555 -3.043) 3.181 8.537 ( 4.406 -4.979 -4.563) 8.064 8.802 ( -1.112 0.774 -1.802) 2.254 8.969 ( 2.185 6.321 2.111) 7.013 9.075 ( -1.031 1.734 -0.022) 2.018 9.205 ( -3.311 0.701 1.523) 3.711 9.372 ( -0.796 0.837 2.403) 2.666 ======================= Grid point 15 (11/105) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.239 -3.623 -3.021) 4.723 1.045 ( 10.735 -10.231 -8.876) 17.283 1.254 ( 3.443 -13.864 -7.770) 16.262 1.668 ( 0.124 -1.650 -0.432) 1.710 1.760 ( 2.760 -0.743 0.612) 2.923 2.048 ( 1.398 -4.620 -3.627) 6.038 2.207 ( 4.396 -19.015 -10.587) 22.204 2.395 ( 1.542 2.735 1.298) 3.397 2.459 ( -3.116 4.105 -0.152) 5.156 2.627 ( -0.049 -0.425 -3.018) 3.048 2.672 ( 0.631 -2.112 -1.561) 2.701 2.779 ( -0.880 2.036 -4.321) 4.857 3.060 ( -3.972 3.397 2.005) 5.597 3.257 ( -0.079 5.578 2.583) 6.148 3.563 ( -3.369 1.252 -1.195) 3.788 3.671 ( -1.942 -0.500 -0.086) 2.007 3.808 ( 1.843 5.262 1.092) 5.681 4.092 ( -0.053 -0.797 0.938) 1.233 4.268 ( -9.937 4.462 -0.181) 10.894 4.868 ( 12.280 -0.504 1.076) 12.337 5.409 ( -1.095 -11.123 4.159) 11.925 5.642 ( -0.112 -0.063 -1.404) 1.410 5.957 ( -1.499 2.344 7.475) 7.976 6.188 ( -3.057 -3.612 4.382) 6.449 6.242 ( 0.376 0.145 1.538) 1.590 6.396 ( 2.007 -5.390 -1.212) 5.878 6.484 ( 4.923 -4.319 4.773) 8.103 6.750 ( -5.050 8.640 -1.695) 10.150 7.076 ( -1.289 1.568 1.806) 2.717 7.167 ( 1.517 1.242 2.042) 2.831 7.355 ( 1.795 -3.269 -3.694) 5.249 7.825 ( 5.019 0.249 -4.897) 7.017 7.909 ( -0.627 -2.943 -1.159) 3.225 8.114 ( -0.174 -4.936 -2.331) 5.462 8.193 ( -1.907 -4.891 0.626) 5.287 8.358 ( 1.724 3.099 -2.005) 4.074 8.456 ( 0.740 2.334 -4.064) 4.745 8.780 ( -0.633 1.051 -3.325) 3.544 9.076 ( -0.624 3.998 1.587) 4.346 9.114 ( -0.054 5.208 -0.754) 5.263 9.247 ( -2.108 0.631 3.253) 3.928 9.421 ( -0.821 0.777 2.814) 3.033 ======================= Grid point 16 (12/105) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 9.383 -14.229 -7.579) 18.654 0.773 ( 14.299 -13.270 -8.993) 21.481 1.067 ( 1.907 -4.182 -1.415) 4.809 1.439 ( 10.959 -28.843 -13.988) 33.877 1.740 ( 2.510 -2.230 -1.202) 3.566 1.759 ( 0.487 -4.273 -1.183) 4.461 2.100 ( 0.538 -1.147 2.031) 2.394 2.436 ( -0.125 1.546 0.055) 1.552 2.506 ( -2.679 2.541 -0.463) 3.721 2.601 ( 1.800 0.202 -0.761) 1.965 2.631 ( -0.623 -0.532 -2.613) 2.738 2.789 ( -1.688 3.825 -0.371) 4.198 3.147 ( -5.310 5.598 1.308) 7.826 3.370 ( 2.029 3.513 3.453) 5.327 3.553 ( -5.122 0.631 -1.351) 5.334 3.635 ( -0.906 -0.981 -2.441) 2.782 3.924 ( 1.730 6.477 2.876) 7.295 4.051 ( -0.018 -5.561 -0.067) 5.562 4.356 ( -11.975 8.990 -0.637) 14.988 4.886 ( 15.965 1.773 1.173) 16.106 5.278 ( -3.457 -15.602 3.820) 16.431 5.610 ( 0.757 -1.399 -1.625) 2.274 6.087 ( -2.981 2.161 6.340) 7.332 6.182 ( 1.086 -2.077 1.348) 2.704 6.270 ( 3.683 -0.523 0.279) 3.730 6.347 ( -1.924 -2.086 3.444) 4.462 6.491 ( 3.862 -4.914 4.882) 7.931 6.847 ( -5.321 9.676 -3.371) 11.546 7.096 ( -1.385 -0.522 0.005) 1.480 7.191 ( 2.701 0.300 -0.211) 2.726 7.298 ( 1.126 -0.710 0.183) 1.344 7.754 ( 6.202 -0.764 -4.311) 7.592 7.823 ( -1.365 -5.959 -2.520) 6.612 7.968 ( 2.424 -8.721 -0.842) 9.091 8.190 ( -0.500 1.075 0.115) 1.191 8.361 ( 0.005 2.032 -2.874) 3.520 8.491 ( -2.145 5.933 -0.572) 6.335 8.739 ( -0.557 1.101 -5.208) 5.352 9.123 ( -3.038 2.315 0.336) 3.834 9.177 ( -1.309 4.386 -0.792) 4.646 9.303 ( 0.969 -0.216 4.168) 4.285 9.460 ( -0.871 0.556 1.407) 1.746 ======================= Grid point 17 (13/105) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 15.767 -15.521 0.000) 22.124 0.521 ( 22.235 -14.421 0.000) 26.502 0.836 ( 27.368 -32.160 0.000) 42.229 1.038 ( 0.767 -1.058 0.000) 1.307 1.719 ( 0.082 -0.439 0.000) 0.447 1.733 ( 1.310 -0.962 0.000) 1.625 2.111 ( -0.039 -0.047 -0.000) 0.061 2.444 ( 0.042 0.297 0.000) 0.300 2.530 ( -1.894 1.984 -0.000) 2.743 2.586 ( -0.902 -1.146 -0.000) 1.459 2.615 ( 1.854 0.055 0.000) 1.854 2.844 ( -3.111 3.595 -0.000) 4.754 3.234 ( -5.294 5.423 -0.000) 7.579 3.389 ( 2.889 -3.807 0.000) 4.779 3.570 ( -4.215 0.809 -0.000) 4.292 3.618 ( -1.500 3.855 -0.000) 4.136 3.957 ( 1.003 -6.219 0.000) 6.299 4.034 ( -0.496 3.988 -0.000) 4.018 4.480 ( -11.622 9.908 -0.000) 15.272 4.972 ( 19.985 8.041 0.000) 21.542 5.079 ( -8.001 -18.606 -0.000) 20.253 5.575 ( 1.313 -1.424 0.000) 1.937 6.140 ( -4.091 -0.842 -0.000) 4.177 6.196 ( 0.762 1.609 0.000) 1.780 6.258 ( 4.125 -1.148 0.000) 4.282 6.382 ( -0.615 2.181 -0.000) 2.266 6.464 ( 2.267 -4.601 0.000) 5.129 6.921 ( -0.988 7.075 -0.000) 7.144 7.088 ( 2.703 0.162 0.000) 2.708 7.175 ( -1.061 -2.467 -0.000) 2.686 7.314 ( -1.461 1.253 -0.000) 1.924 7.699 ( 1.191 -5.088 0.000) 5.226 7.730 ( 6.379 -0.309 0.000) 6.387 7.880 ( 2.850 -4.956 0.000) 5.717 8.203 ( -1.070 1.055 -0.000) 1.503 8.360 ( -1.136 1.107 -0.000) 1.586 8.555 ( -3.896 3.684 -0.000) 5.362 8.681 ( -0.179 -1.451 -0.000) 1.462 9.160 ( -3.225 2.644 -0.000) 4.170 9.209 ( -2.680 1.446 -0.000) 3.045 9.333 ( 2.480 -0.732 0.000) 2.586 9.473 ( -0.594 0.385 -0.000) 0.707 ======================= Grid point 19 (14/105) ======================= q-point: ( 0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 1.826 -0.745 4.399) 4.821 1.085 ( 5.940 11.103 12.950) 18.063 1.195 ( 12.308 3.173 9.923) 16.125 1.667 ( 0.390 -0.679 1.227) 1.456 1.743 ( 0.620 3.024 -0.318) 3.103 2.020 ( 2.970 0.016 -0.996) 3.133 2.133 ( 15.952 6.277 15.953) 23.417 2.411 ( -2.012 0.344 -1.031) 2.287 2.531 ( -2.433 -1.820 2.136) 3.714 2.646 ( 3.207 1.809 1.471) 3.966 2.677 ( -1.664 -0.936 2.795) 3.384 2.890 ( -2.478 -1.247 7.431) 7.932 3.096 ( -5.431 -4.556 -2.361) 7.472 3.262 ( -1.970 1.198 -4.100) 4.704 3.574 ( 0.014 -5.944 -0.379) 5.957 3.691 ( -2.284 1.771 0.461) 2.927 3.842 ( -2.460 2.596 -2.373) 4.292 4.035 ( 4.360 -0.350 -1.660) 4.678 4.374 ( -10.021 -10.753 0.581) 14.710 4.847 ( 0.730 10.388 -1.040) 10.465 5.227 ( 10.609 1.118 0.275) 10.672 5.672 ( -1.157 -0.301 2.075) 2.395 5.945 ( -5.478 -0.933 -2.622) 6.145 6.083 ( 2.781 -2.470 -3.948) 5.424 6.231 ( -0.370 0.117 -0.752) 0.847 6.330 ( 4.569 1.405 -1.443) 4.994 6.400 ( 4.920 3.819 2.755) 6.811 6.873 ( -8.505 -5.535 -1.188) 10.217 7.068 ( -1.359 -1.449 -2.124) 2.908 7.158 ( -2.301 2.107 -2.763) 4.168 7.335 ( 6.012 3.219 3.229) 7.546 7.827 ( 5.647 2.003 -4.487) 7.486 7.927 ( -1.865 4.674 4.598) 6.817 8.027 ( 6.751 -3.106 3.642) 8.276 8.174 ( 2.442 1.195 1.471) 3.091 8.436 ( -3.554 0.807 1.434) 3.917 8.543 ( -2.187 -0.461 3.711) 4.332 8.754 ( 2.008 -0.857 -3.431) 4.067 9.101 ( -3.039 -3.596 -1.338) 4.895 9.194 ( -1.430 2.385 -2.222) 3.560 9.247 ( -4.725 -1.828 1.487) 5.280 9.393 ( -0.877 -1.854 -2.942) 3.586 ======================= Grid point 20 (15/105) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.171 -0.395 1.047) 1.132 1.359 ( 6.387 6.788 8.129) 12.368 1.418 ( 7.622 7.573 9.948) 14.643 1.667 ( 0.583 0.161 0.050) 0.607 1.801 ( 1.884 4.820 1.723) 5.454 2.011 ( 3.011 0.677 -0.604) 3.145 2.238 ( -0.534 0.917 -3.278) 3.445 2.416 ( 0.053 -0.835 -1.376) 1.610 2.528 ( -1.495 -2.308 -1.016) 2.932 2.672 ( -0.886 1.287 -0.004) 1.563 2.827 ( 4.233 2.578 13.178) 14.079 2.955 ( -3.307 -4.501 4.937) 7.454 3.027 ( -0.344 -0.885 3.116) 3.258 3.225 ( 0.645 0.556 -2.642) 2.775 3.500 ( -4.642 -3.417 1.310) 5.911 3.704 ( -1.559 2.196 -4.440) 5.193 3.835 ( 2.979 -0.549 -2.139) 3.708 3.986 ( -1.459 -2.529 -0.882) 3.050 4.243 ( -8.592 -8.353 -0.277) 11.987 4.942 ( 5.152 5.386 -0.975) 7.517 5.282 ( 3.993 4.603 1.844) 6.366 5.681 ( -1.877 -1.218 1.409) 2.645 5.892 ( -1.634 -5.763 0.424) 6.005 6.064 ( -2.878 3.315 1.134) 4.534 6.233 ( 0.075 0.598 0.615) 0.861 6.317 ( 4.888 -0.080 -1.378) 5.079 6.507 ( 3.167 2.533 5.065) 6.488 6.783 ( -5.231 -3.642 -2.287) 6.772 7.012 ( -1.376 -2.442 -1.455) 3.158 7.141 ( -2.542 1.295 -3.520) 4.531 7.464 ( 6.056 6.901 4.715) 10.321 7.764 ( 6.379 3.170 -9.480) 11.858 7.950 ( 0.560 -2.915 0.724) 3.055 8.109 ( -0.693 4.348 3.280) 5.490 8.226 ( 2.173 1.897 2.523) 3.832 8.451 ( 0.308 -0.954 1.504) 1.808 8.599 ( -0.463 -0.570 4.412) 4.473 8.709 ( 1.317 2.706 -3.955) 4.970 9.035 ( -3.004 -4.518 0.072) 5.427 9.146 ( -0.445 -2.612 -2.479) 3.629 9.264 ( -5.023 1.314 -1.450) 5.390 9.315 ( -0.021 -3.691 -1.600) 4.023 ======================= Grid point 21 (16/105) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.373 -0.203 0.413) 0.593 1.483 ( 5.377 1.576 0.903) 5.676 1.593 ( 6.016 4.274 4.887) 8.851 1.688 ( 1.862 1.186 1.342) 2.584 1.906 ( 1.940 3.320 0.600) 3.892 2.021 ( 3.469 0.946 2.594) 4.434 2.213 ( -1.803 3.737 -2.813) 5.012 2.342 ( -0.794 -2.887 -4.599) 5.488 2.466 ( -3.739 -2.493 -1.882) 4.872 2.673 ( -3.748 -0.988 -0.139) 3.878 2.889 ( -4.032 -6.009 -0.137) 7.238 2.936 ( -0.151 1.497 2.459) 2.883 3.096 ( 1.041 -0.665 -1.650) 2.061 3.281 ( 4.547 3.606 6.071) 8.398 3.525 ( -4.029 -1.060 2.828) 5.036 3.628 ( 2.904 0.064 -5.509) 6.228 3.769 ( 1.757 -1.497 -3.141) 3.897 3.957 ( -7.617 -4.355 1.287) 8.868 4.161 ( -5.129 -2.097 -0.015) 5.541 4.985 ( 8.653 1.469 1.061) 8.841 5.379 ( 0.337 4.568 2.629) 5.281 5.686 ( -1.323 -2.473 2.768) 3.941 5.834 ( -0.642 -5.003 3.226) 5.987 6.128 ( -5.618 0.867 0.925) 5.760 6.279 ( 0.160 1.040 3.903) 4.042 6.303 ( 3.388 0.710 0.518) 3.500 6.567 ( 0.376 -0.876 1.478) 1.759 6.745 ( -0.932 0.252 0.967) 1.366 6.965 ( -2.225 -1.194 -2.256) 3.386 7.109 ( -0.646 -0.825 -0.653) 1.235 7.582 ( 8.953 3.010 -2.570) 9.789 7.722 ( 2.026 7.295 -2.110) 7.860 7.926 ( 0.161 -0.759 -0.564) 0.960 8.161 ( -3.209 0.339 -0.548) 3.274 8.265 ( 2.317 1.981 -1.038) 3.220 8.471 ( 4.465 -0.108 1.043) 4.586 8.608 ( -0.520 -0.240 0.113) 0.584 8.748 ( 0.539 5.964 -0.892) 6.055 8.980 ( -1.210 -6.125 1.791) 6.495 9.078 ( -2.347 -1.948 -2.449) 3.912 9.197 ( -1.377 -2.898 -2.961) 4.366 9.308 ( -2.229 0.385 1.402) 2.661 ======================= Grid point 22 (17/105) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.354 -0.376 0.035) 0.518 1.452 ( 8.031 -2.820 -3.163) 9.081 1.674 ( 2.389 1.600 0.475) 2.914 1.707 ( 4.966 -3.518 1.295) 6.222 1.827 ( 3.114 -4.316 -4.364) 6.883 2.116 ( 0.243 1.714 2.079) 2.705 2.259 ( -1.019 3.974 -1.171) 4.266 2.268 ( -0.775 2.634 -1.655) 3.206 2.444 ( -3.743 0.727 1.258) 4.015 2.650 ( -5.063 -1.289 -0.731) 5.275 2.799 ( -1.500 -2.517 -4.178) 5.103 2.989 ( 1.283 1.656 0.758) 2.228 3.036 ( -2.861 -1.503 -3.274) 4.601 3.259 ( 4.004 -7.340 -7.056) 10.941 3.483 ( -0.739 -2.458 1.657) 3.055 3.631 ( 1.077 1.492 -0.912) 2.054 3.758 ( -0.896 1.828 -0.834) 2.200 3.926 ( -9.366 -0.564 2.486) 9.706 4.174 ( -2.614 0.836 1.183) 2.989 5.019 ( 10.773 0.196 2.314) 11.021 5.467 ( -0.952 1.607 3.859) 4.287 5.678 ( -0.622 -3.900 2.283) 4.562 5.850 ( -0.823 -2.646 6.249) 6.835 6.121 ( -7.509 -2.114 1.657) 7.975 6.290 ( 2.981 -1.882 1.707) 3.917 6.392 ( -1.807 3.991 2.751) 5.173 6.562 ( 3.287 -1.792 2.310) 4.400 6.753 ( 2.136 -2.232 -1.166) 3.302 6.946 ( -4.514 2.250 0.478) 5.066 7.118 ( 0.989 0.019 2.614) 2.795 7.518 ( 6.453 0.275 -6.659) 9.277 7.847 ( 1.716 5.466 2.238) 6.150 7.914 ( 2.046 2.534 -2.118) 3.886 8.121 ( -4.777 -1.126 -3.179) 5.848 8.264 ( 1.796 0.573 -1.643) 2.501 8.431 ( 4.511 -2.920 -2.524) 5.937 8.624 ( 1.197 1.782 -2.583) 3.359 8.782 ( -1.273 -1.144 -0.652) 1.831 8.933 ( 2.180 2.057 -1.536) 3.368 9.041 ( -4.120 -0.861 -0.281) 4.218 9.164 ( -1.634 -0.764 2.171) 2.823 9.343 ( -1.814 0.773 2.525) 3.204 ======================= Grid point 23 (18/105) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.019 -1.042 -0.495) 1.154 1.332 ( 12.797 -6.797 -4.702) 15.234 1.514 ( 5.873 -13.517 -6.446) 16.085 1.688 ( 0.706 -0.904 0.579) 1.285 1.806 ( 4.032 0.624 0.467) 4.107 2.092 ( -0.303 -1.994 -1.557) 2.548 2.295 ( -4.327 3.585 -1.666) 5.861 2.344 ( 0.064 4.762 1.573) 5.015 2.482 ( 1.371 -1.325 0.688) 2.027 2.615 ( -2.889 -0.636 -2.167) 3.668 2.719 ( -1.279 0.762 -6.027) 6.208 2.851 ( 5.787 -11.395 -7.585) 14.861 3.011 ( -0.439 -2.675 1.773) 3.239 3.146 ( -4.530 3.458 -1.013) 5.788 3.489 ( -5.018 0.038 1.432) 5.219 3.641 ( -1.676 1.645 -1.519) 2.797 3.762 ( -1.108 2.920 -1.294) 3.380 4.001 ( -5.487 4.286 2.722) 7.475 4.182 ( -2.480 -0.780 -0.430) 2.635 5.050 ( 12.742 -0.059 2.151) 12.923 5.501 ( -3.002 -5.977 3.974) 7.780 5.641 ( -0.614 -1.433 -1.246) 1.996 5.924 ( -1.353 -0.903 8.202) 8.361 6.154 ( -6.045 -0.634 5.873) 8.452 6.279 ( 2.352 -2.352 0.871) 3.438 6.454 ( -0.252 1.551 0.697) 1.719 6.589 ( 3.991 -2.398 5.290) 7.047 6.679 ( 3.016 -1.841 -3.118) 4.713 7.009 ( -3.942 2.471 2.143) 5.122 7.167 ( 1.196 1.836 2.085) 3.025 7.434 ( 5.141 -1.373 -4.510) 6.976 7.861 ( 0.605 0.904 -2.866) 3.065 7.943 ( 3.269 0.678 -1.948) 3.865 8.090 ( -2.138 3.466 -2.576) 4.819 8.232 ( -1.985 -3.484 -0.612) 4.056 8.365 ( 3.000 -0.348 -2.618) 3.997 8.536 ( 4.188 -7.078 -3.199) 8.824 8.747 ( -0.985 1.602 -3.809) 4.249 8.989 ( -1.784 7.625 -2.499) 8.220 9.041 ( -4.156 0.362 0.809) 4.250 9.221 ( 0.457 1.214 5.133) 5.294 9.393 ( -1.728 0.760 3.026) 3.566 ======================= Grid point 24 (19/105) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 2.439 -3.755 -1.351) 4.677 1.154 ( 16.857 -9.772 -4.624) 20.026 1.248 ( 7.769 -12.615 -4.032) 15.354 1.678 ( 1.261 -2.014 0.373) 2.406 1.804 ( 2.831 -1.509 0.049) 3.208 2.015 ( 4.238 -9.517 -4.803) 11.472 2.196 ( 6.273 -11.251 -3.259) 13.287 2.399 ( -2.305 2.562 -0.322) 3.461 2.436 ( -1.364 0.944 0.869) 1.872 2.600 ( -1.771 -0.031 -1.439) 2.282 2.646 ( 3.058 -0.508 -2.446) 3.949 2.738 ( 0.341 1.733 -1.270) 2.175 3.021 ( -4.481 1.729 0.904) 4.887 3.235 ( -7.484 7.765 1.205) 10.852 3.514 ( -3.906 -0.878 2.131) 4.535 3.614 ( -3.334 0.360 -3.642) 4.951 3.831 ( -0.168 7.414 0.400) 7.427 4.084 ( -3.577 0.685 2.371) 4.346 4.152 ( -3.786 1.545 -2.288) 4.686 5.079 ( 14.992 1.252 1.418) 15.111 5.404 ( -5.291 -12.471 1.616) 13.643 5.624 ( -0.140 0.217 -0.987) 1.020 6.026 ( -2.721 0.365 6.453) 7.013 6.219 ( -1.005 -1.558 2.825) 3.379 6.269 ( 0.008 0.951 1.634) 1.891 6.449 ( 5.984 -5.092 2.494) 8.243 6.612 ( 3.076 -5.412 4.498) 7.680 6.673 ( -0.886 8.223 -3.026) 8.807 7.053 ( -3.492 1.015 0.835) 3.731 7.202 ( 1.011 1.478 -0.540) 1.870 7.368 ( 4.874 -2.346 -1.279) 5.558 7.835 ( 0.943 -0.473 -1.190) 1.590 7.888 ( 5.159 -1.085 -3.561) 6.362 8.078 ( 0.714 -2.905 -2.943) 4.196 8.174 ( -3.476 -2.427 0.571) 4.278 8.367 ( 1.944 1.571 -0.502) 2.549 8.417 ( 1.571 -1.981 -2.641) 3.656 8.714 ( -1.388 0.866 -3.770) 4.109 9.034 ( -6.403 2.894 -0.822) 7.075 9.084 ( -2.043 4.572 -0.152) 5.010 9.311 ( 2.178 2.040 4.055) 5.035 9.435 ( -1.792 0.427 1.856) 2.615 ======================= Grid point 25 (20/105) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 10.518 -10.189 0.000) 14.644 0.972 ( 17.571 -11.219 0.000) 20.848 1.106 ( 6.256 -5.441 0.000) 8.291 1.555 ( 16.769 -20.294 0.000) 26.325 1.754 ( 1.587 -5.808 0.000) 6.021 1.791 ( 6.491 -3.480 0.000) 7.366 2.123 ( 1.205 -1.554 0.000) 1.966 2.434 ( -0.709 1.504 -0.000) 1.663 2.461 ( -3.411 2.328 -0.000) 4.130 2.574 ( -2.970 -0.916 -0.000) 3.108 2.643 ( 3.729 0.963 0.000) 3.851 2.770 ( -0.700 2.881 -0.000) 2.965 3.078 ( -5.754 5.341 -0.000) 7.850 3.358 ( -10.168 7.884 -0.000) 12.867 3.481 ( -0.520 -5.443 -0.000) 5.468 3.611 ( -0.906 3.188 -0.000) 3.314 3.941 ( -1.642 7.161 -0.000) 7.347 4.037 ( -1.709 -6.315 -0.000) 6.542 4.225 ( -5.782 8.682 -0.000) 10.431 5.131 ( 16.709 4.821 0.000) 17.391 5.223 ( -5.920 -15.746 -0.000) 16.822 5.610 ( 0.582 -1.008 0.000) 1.164 6.078 ( -4.027 0.353 -0.000) 4.043 6.207 ( 1.448 -0.570 0.000) 1.556 6.328 ( 0.921 3.972 0.000) 4.077 6.391 ( 5.495 -6.203 0.000) 8.287 6.568 ( 2.220 -5.675 0.000) 6.094 6.787 ( -0.527 10.470 -0.000) 10.483 7.066 ( -3.958 0.425 -0.000) 3.981 7.205 ( 1.252 0.044 0.000) 1.253 7.328 ( 2.725 -2.599 0.000) 3.766 7.806 ( 2.030 -5.122 0.000) 5.510 7.847 ( 10.071 0.845 0.000) 10.107 7.980 ( 0.526 -6.206 0.000) 6.228 8.172 ( -1.559 0.887 -0.000) 1.794 8.343 ( 0.843 -0.847 0.000) 1.195 8.445 ( -3.673 4.179 -0.000) 5.564 8.678 ( -2.977 -1.489 -0.000) 3.328 9.066 ( -5.762 2.649 -0.000) 6.342 9.138 ( -2.403 3.421 -0.000) 4.180 9.364 ( 2.344 1.054 0.000) 2.570 9.452 ( -1.592 0.468 -0.000) 1.659 ======================= Grid point 26 (21/105) ======================= q-point: (-0.11 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 14.935 -8.962 6.278) 18.515 0.843 ( 15.891 -14.035 8.500) 22.842 1.068 ( 4.110 -2.019 1.458) 4.805 1.404 ( 28.177 -11.275 15.450) 34.055 1.722 ( 0.403 -1.033 0.033) 1.109 1.773 ( 5.005 -1.608 1.707) 5.528 2.097 ( 0.894 -0.521 -2.003) 2.254 2.436 ( -1.945 0.306 -0.470) 2.024 2.508 ( -2.305 2.886 0.838) 3.788 2.580 ( -1.446 -1.333 2.358) 3.070 2.655 ( 2.339 -0.242 1.177) 2.630 2.800 ( -2.601 1.509 -0.090) 3.009 3.152 ( -5.650 5.906 -1.125) 8.250 3.355 ( -4.825 -2.783 -3.708) 6.692 3.496 ( -4.351 4.617 2.446) 6.800 3.668 ( 2.671 2.047 2.262) 4.054 3.947 ( -2.552 -5.295 -1.204) 6.000 4.007 ( -0.119 3.481 -1.082) 3.648 4.363 ( -6.956 10.400 0.577) 12.525 4.961 ( -2.709 -17.331 -3.161) 17.824 5.206 ( 16.199 5.782 -1.853) 17.300 5.611 ( 1.449 -0.681 1.988) 2.552 6.055 ( -3.523 1.620 -4.052) 5.609 6.211 ( 2.357 1.334 -1.023) 2.895 6.281 ( 3.228 -5.596 -2.761) 7.026 6.361 ( 1.794 4.188 -3.852) 5.966 6.459 ( 2.310 -5.109 -4.446) 7.156 6.921 ( -3.356 6.377 0.981) 7.272 7.070 ( -4.816 1.479 -1.061) 5.149 7.200 ( 3.139 -3.157 1.601) 4.731 7.304 ( 0.930 -1.385 0.831) 1.864 7.732 ( 1.567 -4.483 1.790) 5.075 7.880 ( 9.130 -0.824 1.598) 9.305 7.934 ( 5.543 -2.234 3.287) 6.821 8.188 ( -1.327 0.533 -0.062) 1.431 8.361 ( -1.938 -0.063 2.911) 3.498 8.487 ( -5.968 1.871 0.002) 6.254 8.719 ( -3.478 0.999 6.865) 7.760 9.097 ( -5.038 2.949 -1.160) 5.952 9.175 ( -2.893 0.882 0.770) 3.121 9.335 ( 2.290 -0.764 -3.611) 4.344 9.453 ( -1.268 1.001 -1.484) 2.194 ======================= Grid point 28 (22/105) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.008 -0.536 0.519) 0.746 1.321 ( 4.645 6.398 10.256) 12.950 1.476 ( 8.611 3.399 6.389) 11.249 1.692 ( 1.072 -1.063 1.330) 2.012 1.742 ( 1.021 3.586 0.794) 3.812 2.040 ( 2.190 1.668 -1.755) 3.265 2.253 ( 0.403 -1.838 -4.477) 4.857 2.410 ( -1.029 -0.025 -1.564) 1.873 2.566 ( 0.287 -3.809 2.225) 4.421 2.650 ( 0.185 0.863 -0.232) 0.912 2.849 ( 2.495 1.826 7.961) 8.540 2.943 ( -3.441 -1.429 3.129) 4.865 3.066 ( 3.978 -0.539 8.915) 9.777 3.188 ( -1.381 2.457 -1.862) 3.378 3.526 ( -3.536 -5.842 -5.267) 8.624 3.640 ( -1.572 2.049 -2.554) 3.632 3.818 ( -1.099 2.774 2.198) 3.706 4.039 ( 1.162 -3.009 -2.987) 4.396 4.262 ( -6.563 -8.914 0.070) 11.069 4.846 ( 0.138 10.145 0.067) 10.146 5.339 ( 6.261 -0.039 -0.561) 6.286 5.664 ( -1.982 -0.565 0.564) 2.137 5.862 ( -4.996 0.781 1.274) 5.215 6.106 ( 4.011 -4.879 0.301) 6.324 6.227 ( -0.035 0.173 0.390) 0.428 6.367 ( 4.285 2.702 -1.440) 5.266 6.526 ( 2.896 0.949 4.944) 5.808 6.753 ( -5.388 -2.931 -1.547) 6.326 7.009 ( -1.826 0.236 -2.963) 3.489 7.096 ( -1.629 -0.714 -1.714) 2.470 7.464 ( 4.988 3.845 3.790) 7.350 7.819 ( 5.380 2.329 -6.631) 8.851 7.938 ( -1.485 1.398 -0.288) 2.060 8.130 ( 2.734 -1.577 2.725) 4.170 8.251 ( 2.849 -0.483 2.401) 3.757 8.418 ( -1.469 1.333 1.720) 2.626 8.567 ( -0.611 2.649 2.693) 3.827 8.760 ( 4.386 -1.560 -2.178) 5.140 9.020 ( -6.180 -2.262 -2.224) 6.946 9.145 ( -4.535 3.381 0.836) 5.718 9.191 ( -0.899 -3.402 -1.759) 3.934 9.353 ( -0.435 -1.774 -1.693) 2.490 ======================= Grid point 29 (23/105) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.227 -0.377 0.308) 0.537 1.504 ( 3.224 4.663 4.259) 7.091 1.596 ( 3.962 4.591 2.028) 6.394 1.712 ( 1.925 1.771 2.282) 3.471 1.840 ( 1.683 5.283 3.720) 6.677 2.037 ( -0.453 1.839 -2.974) 3.526 2.188 ( 3.185 0.458 -2.290) 3.950 2.363 ( -1.443 -2.063 -3.030) 3.939 2.501 ( -0.560 -6.199 -0.596) 6.253 2.642 ( -2.795 -1.472 -0.748) 3.247 2.894 ( -4.236 -2.202 -0.926) 4.863 2.911 ( -1.428 -0.841 0.511) 1.734 3.129 ( 0.637 -1.083 -1.798) 2.193 3.327 ( 8.126 2.955 8.312) 11.994 3.438 ( -6.921 1.049 0.242) 7.004 3.605 ( -0.694 2.604 -5.027) 5.704 3.847 ( -0.628 -4.126 -1.400) 4.402 3.957 ( -0.670 -3.357 1.738) 3.839 4.146 ( -4.487 -6.592 -0.986) 8.035 4.990 ( 1.708 8.648 1.300) 8.910 5.354 ( 3.047 1.348 1.760) 3.768 5.674 ( -2.540 -0.641 2.597) 3.689 5.889 ( -3.528 -3.470 3.991) 6.357 6.086 ( 1.049 -2.247 3.038) 3.922 6.253 ( -0.241 1.314 2.696) 3.009 6.370 ( 3.638 -0.666 0.213) 3.705 6.564 ( -2.567 -1.193 1.849) 3.382 6.727 ( 0.100 1.197 -0.295) 1.237 6.954 ( -1.932 -1.441 -3.549) 4.290 7.096 ( -0.469 0.600 1.261) 1.473 7.596 ( 4.048 7.596 2.864) 9.071 7.742 ( 8.119 1.270 -7.361) 11.033 7.913 ( -2.547 0.313 -2.788) 3.789 8.162 ( 1.433 -2.351 2.781) 3.913 8.273 ( 2.440 1.526 -0.575) 2.935 8.454 ( -2.527 2.696 0.988) 3.825 8.629 ( 2.711 3.300 -1.509) 4.530 8.720 ( 3.680 -0.305 -0.936) 3.809 8.967 ( -7.765 -1.601 -1.239) 8.024 9.108 ( -0.500 -4.885 -1.088) 5.029 9.196 ( -1.312 1.338 -0.025) 1.875 9.303 ( -0.618 -2.851 0.094) 2.919 ======================= Grid point 30 (24/105) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -0.317 -0.288 0.223) 0.483 1.563 ( 6.137 1.071 -0.454) 6.246 1.652 ( 0.797 3.305 -0.089) 3.401 1.791 ( 3.516 2.834 2.469) 5.147 1.911 ( 2.179 -0.885 -1.400) 2.737 2.032 ( -2.713 4.620 -1.526) 5.571 2.182 ( -1.851 0.858 -3.672) 4.201 2.307 ( 4.293 -0.803 0.236) 4.374 2.427 ( -1.203 -3.780 2.065) 4.472 2.601 ( -4.944 -2.451 -0.557) 5.546 2.819 ( -3.417 -4.554 -2.484) 6.212 2.928 ( -0.977 4.224 -2.689) 5.101 3.055 ( 0.172 -2.418 -3.765) 4.477 3.342 ( -0.568 -3.506 -1.226) 3.758 3.478 ( -4.615 3.377 -2.171) 6.117 3.652 ( 1.514 1.867 2.455) 3.436 3.726 ( -0.811 -4.213 -4.653) 6.329 3.916 ( -0.017 -7.740 3.161) 8.361 4.113 ( -3.299 1.912 0.652) 3.868 5.106 ( 5.204 4.543 2.653) 7.400 5.417 ( -0.328 2.455 3.175) 4.027 5.705 ( -2.431 -2.103 3.380) 4.665 5.896 ( -1.208 -4.747 6.838) 8.412 6.069 ( -3.529 -3.426 0.456) 4.939 6.322 ( -1.047 0.597 2.806) 3.054 6.379 ( 3.423 -0.602 3.708) 5.082 6.592 ( -0.692 0.533 3.782) 3.882 6.766 ( 0.419 2.559 1.471) 2.981 6.883 ( -1.951 -0.418 -4.046) 4.512 7.129 ( 0.586 -0.347 2.916) 2.995 7.606 ( 6.323 0.996 -7.543) 9.893 7.792 ( 4.225 7.495 2.525) 8.966 7.888 ( -1.690 1.411 -2.179) 3.098 8.117 ( -0.229 -4.488 -1.516) 4.743 8.274 ( 2.502 2.196 -3.094) 4.545 8.515 ( 0.684 4.174 -0.913) 4.327 8.589 ( 3.085 -1.345 -3.296) 4.710 8.745 ( 0.366 4.478 -1.449) 4.721 8.943 ( -9.497 -0.473 -0.849) 9.546 9.013 ( 2.169 -5.388 -2.780) 6.439 9.194 ( 1.581 -2.363 2.925) 4.079 9.308 ( -1.990 0.040 2.896) 3.514 ======================= Grid point 31 (25/105) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.122 -0.437 0.023) 0.454 1.544 ( 9.656 -1.273 -1.849) 9.913 1.679 ( 0.887 0.067 -1.064) 1.386 1.766 ( 3.817 -6.645 -3.835) 8.569 1.863 ( 5.392 -0.441 0.490) 5.432 2.083 ( -2.551 2.016 -1.270) 3.490 2.136 ( -6.815 3.631 -2.332) 8.067 2.321 ( 1.084 0.750 0.818) 1.552 2.479 ( 1.807 2.395 4.152) 5.122 2.576 ( -3.839 -1.071 0.756) 4.056 2.708 ( -0.789 -2.242 -6.352) 6.782 2.904 ( -3.338 0.742 -6.369) 7.228 3.023 ( -2.133 0.454 1.134) 2.458 3.239 ( 4.371 -7.134 -3.365) 9.018 3.460 ( -3.445 -4.756 -0.675) 5.911 3.617 ( -1.061 -3.034 -1.309) 3.471 3.661 ( -6.831 3.036 -3.029) 8.066 3.929 ( 1.930 2.184 2.638) 3.931 4.148 ( -2.630 0.957 0.365) 2.822 5.187 ( 8.394 2.102 2.717) 9.069 5.486 ( -3.104 0.337 3.423) 4.633 5.673 ( -2.046 -4.658 -1.085) 5.202 5.951 ( 0.191 -3.482 8.615) 9.294 6.067 ( -5.743 -0.223 4.568) 7.342 6.334 ( 0.361 -1.331 0.514) 1.472 6.435 ( 2.757 0.740 3.863) 4.804 6.657 ( 1.078 -1.093 5.036) 5.265 6.762 ( 2.960 -1.812 -2.685) 4.388 6.914 ( -2.689 4.613 3.407) 6.333 7.159 ( 0.441 0.133 1.802) 1.860 7.524 ( 6.055 -0.172 -5.102) 7.920 7.827 ( -3.095 1.354 -4.007) 5.241 7.953 ( 3.270 4.595 1.706) 5.892 8.036 ( -0.154 -0.496 -3.657) 3.694 8.247 ( 1.302 0.372 -3.459) 3.715 8.461 ( 5.827 -3.477 -3.918) 7.835 8.603 ( -0.492 3.441 -0.606) 3.528 8.762 ( -0.399 -1.994 -0.675) 2.143 8.879 ( -2.484 -0.130 -5.688) 6.208 8.957 ( -5.097 2.000 -1.329) 5.635 9.237 ( 2.179 -0.757 6.040) 6.465 9.358 ( -1.802 0.632 3.282) 3.798 ======================= Grid point 32 (26/105) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.523 -0.700 -0.119) 0.882 1.474 ( 13.813 -5.475 -1.930) 14.983 1.527 ( 6.613 -11.608 -4.438) 14.077 1.710 ( 1.429 -1.066 0.462) 1.842 1.859 ( 2.530 -0.921 -0.159) 2.697 2.064 ( -1.274 -0.831 -0.657) 1.657 2.216 ( -5.318 6.037 0.620) 8.069 2.352 ( -0.992 2.807 0.222) 2.986 2.495 ( 1.221 -3.637 -1.516) 4.125 2.574 ( -0.600 -0.099 -2.593) 2.663 2.662 ( 1.447 3.876 0.156) 4.140 2.813 ( -1.401 -4.228 -3.410) 5.609 3.048 ( -5.519 -1.165 -1.358) 5.802 3.068 ( 7.016 -7.002 0.045) 9.912 3.424 ( -7.364 0.610 1.126) 7.475 3.567 ( -4.143 -1.243 -2.141) 4.826 3.719 ( -2.421 8.004 -1.027) 8.425 3.999 ( -0.246 3.989 1.294) 4.201 4.140 ( -2.125 -1.656 -0.733) 2.792 5.240 ( 10.891 1.646 1.741) 11.151 5.475 ( -5.550 -8.401 1.656) 10.204 5.609 ( -0.619 0.420 -1.885) 2.028 6.016 ( -0.412 -2.214 6.380) 6.766 6.159 ( -4.223 2.782 4.630) 6.856 6.306 ( 1.143 -2.848 -0.017) 3.069 6.515 ( 3.179 3.813 3.736) 6.213 6.673 ( 3.752 -2.498 -0.195) 4.512 6.706 ( 1.565 -3.571 1.047) 4.037 7.001 ( -1.601 0.712 2.635) 3.165 7.185 ( 0.320 2.055 -0.225) 2.092 7.466 ( 4.989 -1.477 -2.116) 5.617 7.799 ( -4.332 0.658 -0.944) 4.482 7.945 ( 3.357 2.056 -5.097) 6.440 8.066 ( 0.313 4.465 -0.058) 4.476 8.191 ( 0.477 -3.600 -1.970) 4.131 8.382 ( 3.908 -1.568 -1.731) 4.553 8.583 ( 4.760 -8.342 0.614) 9.625 8.684 ( -0.961 -0.638 -3.202) 3.403 8.874 ( -7.322 5.730 -2.983) 9.764 8.990 ( -4.314 4.028 -0.254) 5.907 9.315 ( 2.374 1.525 4.123) 4.996 9.403 ( -1.925 0.401 2.079) 2.862 ======================= Grid point 33 (27/105) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 1.982 -1.342 0.000) 2.394 1.314 ( 11.427 -12.219 0.000) 16.730 1.377 ( 13.732 -8.248 0.000) 16.019 1.704 ( 1.843 -0.552 0.000) 1.924 1.832 ( 1.309 -2.994 0.000) 3.268 2.030 ( 0.919 -4.099 0.000) 4.201 2.261 ( 3.137 -2.219 0.000) 3.843 2.378 ( 1.850 -0.176 0.000) 1.859 2.418 ( -0.673 -1.668 -0.000) 1.799 2.545 ( -2.481 -0.613 -0.000) 2.556 2.707 ( 5.572 -0.355 0.000) 5.583 2.743 ( 1.196 0.744 0.000) 1.409 2.975 ( -2.541 -0.830 -0.000) 2.673 3.115 ( -8.603 5.912 -0.000) 10.439 3.482 ( -7.341 3.528 -0.000) 8.144 3.525 ( -0.905 -0.183 -0.000) 0.924 3.824 ( -0.982 7.643 -0.000) 7.706 4.074 ( -1.724 4.959 -0.000) 5.250 4.091 ( -2.120 -3.422 -0.000) 4.025 5.280 ( 10.120 0.934 0.000) 10.163 5.345 ( -1.512 -9.677 -0.000) 9.794 5.609 ( -0.991 0.543 -0.000) 1.130 6.041 ( -1.620 -0.959 -0.000) 1.882 6.229 ( -0.141 1.827 -0.000) 1.833 6.281 ( 0.313 0.519 0.000) 0.607 6.582 ( 7.574 -6.481 0.000) 9.968 6.644 ( 0.746 4.604 0.000) 4.664 6.672 ( 0.737 -0.930 0.000) 1.187 7.008 ( -4.132 -1.331 -0.000) 4.341 7.207 ( 0.898 1.560 0.000) 1.800 7.420 ( 3.899 -3.036 0.000) 4.942 7.820 ( -3.024 1.409 -0.000) 3.336 7.937 ( 5.322 3.142 0.000) 6.181 8.098 ( 4.685 -6.500 0.000) 8.013 8.116 ( -3.402 2.319 -0.000) 4.118 8.374 ( 0.327 1.296 0.000) 1.336 8.458 ( 5.917 -8.150 0.000) 10.071 8.651 ( -3.909 -1.895 -0.000) 4.344 8.924 ( -7.978 4.238 -0.000) 9.034 9.051 ( -2.526 4.991 -0.000) 5.594 9.371 ( 2.021 2.019 0.000) 2.856 9.421 ( -2.168 0.250 -0.000) 2.182 ======================= Grid point 34 (28/105) ======================= q-point: (-0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 4.199 -2.317 0.878) 4.875 1.199 ( 12.338 -10.619 4.725) 16.950 1.271 ( 13.093 -9.655 3.640) 16.670 1.692 ( 3.432 -0.779 -0.257) 3.528 1.779 ( 1.116 -4.978 0.858) 5.174 1.980 ( 6.901 -5.434 4.430) 9.837 2.198 ( 12.296 -6.806 3.177) 14.409 2.381 ( -3.954 1.118 -2.089) 4.610 2.437 ( -1.694 2.628 1.635) 3.528 2.565 ( -2.252 -0.699 3.683) 4.373 2.704 ( 4.672 -0.284 0.295) 4.690 2.766 ( -0.010 1.564 -0.222) 1.580 3.003 ( -3.987 4.591 -0.522) 6.103 3.201 ( -10.060 5.524 -0.062) 11.477 3.454 ( -1.979 -0.085 -1.841) 2.704 3.625 ( -1.043 5.553 3.981) 6.912 3.906 ( -2.552 4.665 -0.758) 5.371 4.010 ( -0.905 -5.308 -0.846) 5.451 4.180 ( -2.692 7.934 0.662) 8.404 5.133 ( -2.732 -13.670 -2.581) 14.177 5.344 ( 13.268 3.776 -1.069) 13.836 5.626 ( 0.152 0.285 1.804) 1.833 6.000 ( -1.907 0.614 -4.790) 5.193 6.232 ( 2.648 1.108 -1.354) 3.173 6.298 ( 0.018 4.009 -3.641) 5.415 6.457 ( 6.513 -7.170 -3.052) 10.156 6.559 ( 1.254 -5.598 -3.965) 6.973 6.785 ( -0.778 8.548 0.148) 8.584 6.986 ( -6.777 -1.108 -0.282) 6.872 7.228 ( 0.349 0.503 0.724) 0.948 7.392 ( 4.504 -3.718 2.738) 6.450 7.801 ( -0.029 -1.298 -1.909) 2.309 7.995 ( -0.605 -5.753 2.344) 6.242 8.042 ( 10.324 1.792 4.101) 11.253 8.157 ( -0.279 2.030 1.087) 2.320 8.379 ( 0.130 -2.440 0.561) 2.507 8.406 ( -0.115 -0.690 1.906) 2.031 8.655 ( -5.518 -1.134 5.114) 7.608 8.975 ( -6.964 3.092 -0.295) 7.626 9.117 ( -1.642 3.496 0.770) 3.939 9.360 ( 0.752 0.028 -3.379) 3.462 9.417 ( -1.432 1.460 -2.247) 3.038 ======================= Grid point 35 (29/105) ======================= q-point: (-0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 4.642 -1.177 2.752) 5.523 1.113 ( 10.769 -11.467 6.778) 17.129 1.265 ( 13.462 -4.150 8.249) 16.325 1.685 ( 1.950 -0.670 0.650) 2.162 1.737 ( 1.407 -2.418 0.459) 2.835 2.016 ( 4.576 -0.066 4.560) 6.460 2.196 ( 17.922 -3.990 9.095) 20.490 2.370 ( -4.578 0.605 -1.082) 4.742 2.495 ( -2.608 1.159 2.113) 3.551 2.606 ( -0.897 0.220 2.890) 3.034 2.693 ( 3.115 -1.166 -0.473) 3.360 2.792 ( -0.925 0.371 2.926) 3.091 3.060 ( -4.288 4.879 -1.704) 6.715 3.229 ( -6.755 0.358 -1.392) 6.906 3.488 ( -1.765 4.825 1.820) 5.451 3.730 ( 1.103 2.462 2.512) 3.686 3.865 ( -3.804 -6.107 -3.584) 8.038 3.999 ( -0.753 4.253 0.343) 4.333 4.297 ( -3.466 8.247 -0.453) 8.957 4.905 ( -0.534 -13.272 -2.482) 13.513 5.365 ( 10.892 2.971 -2.651) 11.597 5.652 ( 0.913 -0.208 1.386) 1.672 5.947 ( -2.250 1.641 -5.736) 6.376 6.227 ( 4.173 2.335 -2.852) 5.568 6.278 ( 1.874 -0.774 -2.822) 3.475 6.343 ( 2.701 -1.148 -3.897) 4.879 6.444 ( 3.111 -3.880 -1.624) 5.232 6.856 ( -5.114 2.281 -1.492) 5.795 6.985 ( -4.963 2.127 -0.382) 5.413 7.225 ( -0.424 -1.387 -0.999) 1.761 7.387 ( 5.172 -3.854 3.907) 7.542 7.779 ( 0.269 -1.561 3.095) 3.477 7.928 ( 1.822 -1.971 -2.691) 3.801 8.135 ( 6.274 -0.206 5.326) 8.233 8.197 ( 6.009 1.430 1.591) 6.379 8.355 ( -3.473 -2.214 0.376) 4.135 8.440 ( -2.968 0.007 3.975) 4.961 8.756 ( -3.813 2.407 6.089) 7.577 8.996 ( -6.351 2.879 -2.030) 7.263 9.148 ( -2.055 -0.429 0.058) 2.100 9.308 ( -0.070 -0.910 -2.602) 2.758 9.400 ( -1.291 1.981 -3.405) 4.146 ======================= Grid point 37 (30/105) ======================= q-point: ( 0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -0.205 -0.420 -0.023) 0.468 1.455 ( -0.758 5.137 2.959) 5.977 1.542 ( -0.925 4.937 0.049) 5.023 1.694 ( 0.233 0.105 -0.614) 0.665 1.858 ( 2.550 1.738 3.543) 4.698 1.986 ( -0.607 1.489 -2.668) 3.115 2.241 ( 2.376 -0.854 -2.641) 3.654 2.371 ( 0.488 -0.755 0.630) 1.098 2.590 ( 1.256 -4.778 0.374) 4.954 2.636 ( -0.976 -1.469 -1.535) 2.338 2.849 ( -3.181 0.382 -1.717) 3.635 2.919 ( -0.753 -1.993 -0.094) 2.132 3.131 ( -0.783 0.150 -0.899) 1.202 3.301 ( -7.375 2.641 -5.781) 9.736 3.413 ( 7.194 1.989 6.403) 9.835 3.600 ( 1.309 -1.500 -2.589) 3.266 3.836 ( -2.694 1.275 3.018) 4.241 4.009 ( -0.011 -4.773 -1.746) 5.083 4.212 ( -1.396 -7.326 0.944) 7.518 4.853 ( -0.229 10.274 1.092) 10.335 5.395 ( 2.000 -0.802 1.079) 2.410 5.654 ( -1.148 -0.282 1.605) 1.994 5.838 ( -3.805 0.795 3.745) 5.398 6.181 ( 2.852 -3.868 3.010) 5.670 6.237 ( -0.422 0.044 1.483) 1.542 6.392 ( -0.416 0.983 -0.250) 1.096 6.542 ( -2.459 -1.322 -0.845) 2.917 6.724 ( 1.140 0.589 0.063) 1.284 6.953 ( -0.298 -0.803 -2.551) 2.691 7.097 ( 0.992 0.039 2.994) 3.155 7.542 ( 1.499 5.577 0.150) 5.777 7.822 ( 4.038 0.431 -1.785) 4.436 7.886 ( -0.852 -1.041 -4.104) 4.319 8.180 ( -0.788 1.745 2.844) 3.428 8.301 ( 1.813 -0.850 0.497) 2.063 8.412 ( -0.445 -0.204 -1.249) 1.341 8.597 ( 1.140 3.934 -1.079) 4.236 8.799 ( 3.421 -1.721 -0.714) 3.896 8.883 ( -5.741 -2.028 -3.631) 7.089 9.108 ( -2.125 1.663 1.292) 2.992 9.200 ( 1.668 -1.529 1.597) 2.769 9.334 ( -0.168 -1.973 -0.407) 2.021 ======================= Grid point 38 (31/105) ======================= q-point: ( 0.22 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.449 -0.262 0.113) 0.532 1.541 ( -1.970 6.240 -0.998) 6.620 1.639 ( -1.320 5.746 0.702) 5.937 1.687 ( -2.449 1.943 -1.362) 3.410 1.907 ( -2.483 5.336 -3.437) 6.816 2.000 ( 3.522 -0.579 2.927) 4.616 2.181 ( 1.678 -1.041 -3.828) 4.307 2.386 ( 4.431 -1.024 2.576) 5.227 2.503 ( 2.259 -5.242 -1.180) 5.829 2.589 ( -3.352 -3.570 0.040) 4.897 2.814 ( -3.775 -1.904 -1.970) 4.664 2.884 ( -0.029 0.816 -3.188) 3.291 3.094 ( 1.390 -1.187 -4.635) 4.982 3.255 ( -12.144 4.802 -5.103) 14.020 3.422 ( 0.671 -3.720 -2.147) 4.348 3.653 ( 4.683 3.025 3.041) 6.351 3.796 ( -1.780 -7.046 -0.122) 7.269 4.007 ( -0.276 2.348 2.931) 3.766 4.103 ( 0.814 -8.825 -0.509) 8.877 5.028 ( 0.258 10.722 2.591) 11.034 5.415 ( 0.743 -0.668 3.294) 3.442 5.685 ( -2.141 -0.438 3.093) 3.788 5.894 ( -4.312 -1.379 4.606) 6.458 6.142 ( 1.107 -7.491 2.740) 8.053 6.294 ( -1.324 1.101 3.649) 4.035 6.406 ( -1.086 0.576 3.144) 3.375 6.547 ( -1.622 2.402 1.399) 3.219 6.740 ( 0.856 1.182 0.719) 1.627 6.892 ( 1.063 -1.260 -3.837) 4.176 7.150 ( 1.750 -0.311 3.970) 4.349 7.606 ( 0.582 6.196 -4.907) 7.925 7.791 ( 3.693 0.698 -2.753) 4.658 7.862 ( 1.219 1.363 1.513) 2.373 8.201 ( 0.846 -3.542 -0.371) 3.660 8.276 ( 1.744 0.345 -2.199) 2.828 8.418 ( -1.994 4.591 -1.870) 5.343 8.628 ( 1.292 5.445 -4.007) 6.883 8.733 ( -0.969 -2.773 -3.806) 4.807 8.831 ( -3.229 -0.894 -0.915) 3.474 9.106 ( 1.058 -3.230 -0.659) 3.462 9.231 ( 2.023 0.442 3.510) 4.075 9.308 ( -0.768 -2.927 2.512) 3.933 ======================= Grid point 39 (32/105) ======================= q-point: ( 0.33 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -0.377 -0.211 0.196) 0.474 1.602 ( 0.085 5.134 -2.042) 5.526 1.661 ( 0.365 1.921 -1.199) 2.293 1.745 ( -5.591 5.880 -1.861) 8.325 1.929 ( -0.408 2.754 -2.117) 3.498 1.999 ( -0.680 -0.834 -0.984) 1.459 2.128 ( 4.066 -2.572 -0.350) 4.824 2.361 ( 2.420 -3.016 -1.179) 4.043 2.488 ( 2.302 0.440 2.510) 3.434 2.560 ( -1.970 -2.484 2.731) 4.184 2.740 ( -1.538 -3.532 -3.248) 5.038 2.855 ( -1.040 1.484 -5.263) 5.566 3.002 ( 0.119 -0.143 -4.791) 4.795 3.268 ( -8.271 2.595 -1.851) 8.864 3.376 ( -4.097 0.696 -0.509) 4.187 3.603 ( -3.574 -6.255 -2.675) 7.685 3.748 ( 5.322 -5.049 -0.447) 7.349 3.987 ( 4.308 -4.595 0.467) 6.316 4.086 ( -2.328 2.964 1.391) 4.017 5.193 ( 2.510 7.896 2.737) 8.726 5.457 ( -1.501 -0.984 4.079) 4.457 5.686 ( -3.425 -2.692 -1.164) 4.510 5.947 ( -3.399 0.012 5.976) 6.875 6.092 ( 0.681 -7.236 5.773) 9.282 6.324 ( -2.027 0.092 0.844) 2.197 6.487 ( 3.018 0.097 5.346) 6.140 6.635 ( -3.633 1.488 5.569) 6.814 6.775 ( -1.307 2.288 -0.665) 2.718 6.851 ( 3.787 2.910 -0.574) 4.811 7.183 ( 1.374 -1.231 2.371) 3.004 7.577 ( 1.750 1.790 -5.742) 6.264 7.766 ( -1.726 0.622 -2.873) 3.409 7.944 ( 4.714 4.105 2.960) 6.916 8.095 ( 2.192 -4.675 -4.841) 7.077 8.254 ( 0.970 1.029 -3.122) 3.428 8.474 ( -3.246 6.242 -1.444) 7.182 8.598 ( 4.307 -1.121 -4.279) 6.174 8.697 ( -5.097 4.393 -2.883) 7.321 8.813 ( -2.723 0.147 -1.192) 2.976 9.010 ( 2.756 -6.669 -2.774) 7.731 9.286 ( 2.757 -0.714 4.706) 5.501 9.333 ( -1.538 -0.771 4.230) 4.566 ======================= Grid point 40 (33/105) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.055 -0.232 0.080) 0.251 1.614 ( 2.295 1.616 -2.703) 3.897 1.685 ( 1.075 0.703 -0.119) 1.290 1.752 ( 2.610 0.349 -2.342) 3.524 1.882 ( -3.728 -3.031 -1.816) 5.137 2.031 ( -0.523 3.839 -0.260) 3.883 2.107 ( 0.751 -1.280 2.986) 3.334 2.320 ( 0.622 -0.120 -1.483) 1.612 2.513 ( -0.743 -0.369 1.112) 1.387 2.604 ( -0.576 1.814 2.681) 3.288 2.640 ( 2.772 -3.121 -4.065) 5.826 2.777 ( -2.347 -0.371 -4.813) 5.368 2.988 ( -2.622 0.983 -0.428) 2.833 3.279 ( 1.604 -0.516 1.775) 2.447 3.399 ( -2.726 1.603 -2.606) 4.097 3.478 ( -7.336 -5.001 -2.475) 9.217 3.643 ( 2.548 -4.149 -0.700) 4.919 3.982 ( 2.632 1.430 0.015) 2.995 4.122 ( -1.536 0.647 0.294) 1.692 5.310 ( 5.486 5.047 1.708) 7.648 5.480 ( -5.097 -4.066 3.345) 7.329 5.608 ( -1.241 -1.546 -3.645) 4.149 6.043 ( -1.889 0.955 5.371) 5.773 6.096 ( 0.014 -3.259 5.279) 6.204 6.333 ( -0.691 0.040 0.176) 0.714 6.537 ( 3.133 -1.085 3.842) 5.074 6.688 ( -2.346 -0.090 1.560) 2.819 6.765 ( 1.263 0.019 -1.355) 1.852 6.967 ( 0.994 5.121 4.556) 6.926 7.182 ( 0.714 -1.337 0.513) 1.601 7.526 ( 1.809 0.219 -3.449) 3.901 7.739 ( -2.328 -0.119 -1.026) 2.547 7.965 ( 1.606 -1.144 -4.828) 5.215 8.027 ( 1.849 2.375 -0.289) 3.023 8.229 ( 1.344 0.426 -1.735) 2.236 8.488 ( 3.595 -1.361 -2.290) 4.475 8.585 ( -2.895 2.778 1.172) 4.180 8.719 ( -1.690 4.637 -3.555) 6.083 8.797 ( -2.299 -3.009 -0.749) 3.860 8.890 ( 0.427 -2.373 -2.288) 3.324 9.338 ( 2.238 -0.137 3.662) 4.294 9.377 ( -1.405 -0.002 2.498) 2.866 ======================= Grid point 42 (34/105) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.373 -0.130 0.000) 0.395 1.569 ( 4.028 -5.766 0.000) 7.034 1.630 ( 9.310 -5.744 0.000) 10.939 1.743 ( 3.279 -0.747 0.000) 3.363 1.851 ( -2.793 0.296 -0.000) 2.809 2.042 ( -1.396 -1.131 -0.000) 1.796 2.166 ( -3.506 4.475 -0.000) 5.685 2.326 ( -2.125 2.442 -0.000) 3.237 2.518 ( 0.494 -0.472 0.000) 0.683 2.551 ( 4.275 -2.962 0.000) 5.201 2.680 ( -3.306 5.310 -0.000) 6.255 2.748 ( -1.554 0.404 -0.000) 1.605 2.976 ( -2.378 -2.364 -0.000) 3.353 3.217 ( 13.264 -11.868 0.000) 17.798 3.347 ( -3.813 2.615 -0.000) 4.624 3.484 ( -5.685 2.549 -0.000) 6.230 3.675 ( -2.836 8.389 -0.000) 8.855 4.003 ( -0.666 1.622 -0.000) 1.753 4.117 ( -0.507 -1.534 -0.000) 1.616 5.368 ( 2.595 -1.011 0.000) 2.785 5.430 ( 0.991 -2.576 0.000) 2.760 5.583 ( -0.907 0.634 -0.000) 1.106 6.062 ( 0.636 -2.647 0.000) 2.723 6.152 ( -1.982 4.268 -0.000) 4.706 6.321 ( 1.123 -1.799 0.000) 2.120 6.581 ( 1.579 3.778 0.000) 4.094 6.689 ( -1.748 -1.540 -0.000) 2.330 6.741 ( 3.579 -2.476 0.000) 4.352 7.015 ( -0.637 -3.512 -0.000) 3.569 7.188 ( 0.323 2.188 0.000) 2.212 7.494 ( 1.933 -1.378 0.000) 2.373 7.745 ( -2.815 1.587 -0.000) 3.231 7.930 ( 0.809 2.254 0.000) 2.395 8.048 ( -2.031 0.949 -0.000) 2.242 8.214 ( 2.600 -1.189 0.000) 2.859 8.439 ( 6.234 -3.016 0.000) 6.925 8.608 ( -3.624 -1.897 -0.000) 4.091 8.678 ( 3.156 -7.902 0.000) 8.509 8.766 ( -2.687 4.403 -0.000) 5.158 8.922 ( -4.789 6.220 -0.000) 7.850 9.372 ( 1.724 1.352 0.000) 2.191 9.392 ( -1.858 -0.292 -0.000) 1.881 ======================= Grid point 43 (35/105) ======================= q-point: (-0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.844 -0.146 -0.089) 0.861 1.489 ( 8.842 -9.138 4.525) 13.497 1.553 ( 9.556 -7.514 1.491) 12.248 1.724 ( 1.315 -0.985 -0.760) 1.811 1.855 ( 2.055 -2.428 1.545) 3.536 2.018 ( -2.580 -1.403 0.314) 2.954 2.220 ( -5.523 4.660 -1.327) 7.347 2.369 ( -2.580 2.268 1.520) 3.757 2.495 ( 4.558 -1.236 -0.679) 4.771 2.558 ( 0.738 -1.300 3.078) 3.421 2.730 ( -1.126 2.833 -1.439) 3.371 2.776 ( 1.613 -0.146 3.264) 3.644 2.956 ( -2.603 -1.712 3.077) 4.379 3.110 ( 8.630 -3.300 0.466) 9.251 3.385 ( -2.837 3.860 -2.098) 5.230 3.544 ( -0.577 4.173 3.301) 5.352 3.801 ( -3.110 7.118 0.426) 7.779 4.032 ( -2.512 2.865 -0.354) 3.827 4.087 ( -0.373 -1.904 0.050) 1.941 5.258 ( -2.566 -9.788 -2.036) 10.322 5.447 ( 8.465 3.480 -2.466) 9.479 5.614 ( 0.191 1.156 2.950) 3.174 5.996 ( 0.762 -1.230 -5.073) 5.275 6.187 ( -1.027 6.195 -5.142) 8.116 6.299 ( 2.222 -1.075 -0.056) 2.469 6.588 ( -0.208 -0.236 -5.295) 5.304 6.642 ( 3.060 -2.654 -3.404) 5.291 6.722 ( 2.894 -0.287 2.362) 3.746 6.933 ( -5.269 -4.165 -1.489) 6.879 7.215 ( -0.397 1.421 -0.255) 1.498 7.493 ( 3.347 -2.544 3.629) 5.554 7.764 ( -2.539 2.055 -1.016) 3.421 8.009 ( -1.562 0.914 3.323) 3.784 8.058 ( -3.563 0.539 2.567) 4.425 8.204 ( 4.933 -0.537 1.348) 5.142 8.403 ( 3.983 -3.369 0.607) 5.252 8.554 ( 6.129 -5.521 1.641) 8.411 8.617 ( -3.545 -4.053 3.103) 6.215 8.834 ( -6.248 3.229 1.407) 7.172 9.021 ( -2.729 6.573 1.071) 7.197 9.363 ( -0.285 -0.355 -2.771) 2.808 9.377 ( -0.830 1.894 -3.179) 3.792 ======================= Grid point 44 (36/105) ======================= q-point: (-0.22 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 1.147 -0.158 0.059) 1.159 1.422 ( 9.600 -11.164 4.492) 15.393 1.498 ( 10.441 -5.343 4.856) 12.695 1.702 ( -0.381 -0.469 -0.863) 1.054 1.820 ( 2.623 -5.750 2.180) 6.685 2.029 ( -0.212 0.975 1.081) 1.471 2.243 ( -6.672 2.027 -1.839) 7.212 2.435 ( -0.858 3.015 2.026) 3.733 2.478 ( 4.904 -2.584 3.719) 6.675 2.576 ( -0.980 1.013 0.164) 1.420 2.762 ( 0.964 1.774 0.318) 2.044 2.803 ( 3.882 -2.399 5.498) 7.145 3.000 ( 3.870 0.575 2.623) 4.710 3.124 ( -2.284 1.570 1.921) 3.373 3.413 ( -0.850 4.148 -0.389) 4.252 3.670 ( -0.183 5.851 3.172) 6.658 3.843 ( -4.248 0.773 -1.667) 4.628 4.004 ( 1.926 -3.328 -1.067) 3.990 4.145 ( -3.263 8.324 -0.330) 8.947 5.072 ( -0.825 -12.139 -2.982) 12.527 5.441 ( 5.267 2.220 -3.678) 6.796 5.668 ( 2.308 0.979 1.282) 2.816 5.919 ( 1.110 1.006 -5.478) 5.679 6.200 ( 0.804 7.254 -5.632) 9.218 6.290 ( 2.714 0.462 -1.005) 2.931 6.456 ( 1.998 -6.023 -6.088) 8.793 6.540 ( 3.032 -4.204 -2.292) 5.668 6.768 ( -0.811 3.291 -1.059) 3.551 6.900 ( -5.885 -0.619 1.574) 6.123 7.215 ( -1.402 0.442 -1.731) 2.270 7.510 ( 3.842 -4.394 5.237) 7.841 7.779 ( -1.518 0.626 1.092) 1.972 7.956 ( -3.825 -3.826 -3.070) 6.220 8.159 ( 0.307 0.944 5.014) 5.112 8.257 ( 4.286 4.484 2.452) 6.670 8.360 ( -0.006 -4.671 1.532) 4.916 8.515 ( 7.799 -5.352 3.468) 10.075 8.664 ( -4.713 0.956 6.743) 8.282 8.878 ( -6.031 2.259 -0.599) 6.468 9.110 ( -1.476 3.301 1.229) 3.819 9.307 ( -1.504 -1.050 -3.389) 3.853 9.355 ( -0.325 2.886 -4.616) 5.453 ======================= Grid point 45 (37/105) ======================= q-point: (-0.11 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.773 0.357 0.494) 0.984 1.343 ( 8.803 -9.360 5.983) 14.174 1.506 ( 7.554 -1.820 2.440) 8.145 1.692 ( -0.261 -0.251 0.258) 0.444 1.781 ( 3.163 -4.716 3.285) 6.560 2.043 ( 0.032 1.340 -2.002) 2.410 2.249 ( -5.221 1.195 0.047) 5.357 2.439 ( -1.553 0.245 -2.923) 3.319 2.562 ( 1.902 -0.762 7.752) 8.018 2.612 ( -0.172 4.721 -0.284) 4.733 2.776 ( 3.106 -1.503 3.572) 4.966 2.873 ( 3.822 0.038 5.709) 6.870 3.039 ( 5.180 1.014 2.499) 5.840 3.159 ( -3.124 -0.470 1.598) 3.540 3.499 ( -1.306 5.087 2.451) 5.796 3.691 ( -6.876 -3.397 -3.796) 8.558 3.819 ( 3.316 -0.670 -1.573) 3.730 3.997 ( -0.471 4.009 0.731) 4.102 4.243 ( -2.026 7.367 -1.938) 7.882 4.872 ( 0.079 -11.073 -2.036) 11.259 5.420 ( 3.161 1.485 -2.978) 4.589 5.666 ( 0.842 -0.243 -1.256) 1.531 5.861 ( 1.232 0.409 -5.276) 5.434 6.234 ( 1.077 3.431 -2.349) 4.296 6.262 ( 1.157 -0.151 -3.499) 3.688 6.345 ( 4.857 -0.292 -1.450) 5.077 6.496 ( 2.100 -1.710 2.269) 3.533 6.765 ( -4.044 -0.516 -1.545) 4.360 6.941 ( -2.381 2.359 1.300) 3.595 7.174 ( -1.906 -1.074 -3.819) 4.401 7.502 ( 2.911 -5.451 3.895) 7.304 7.825 ( -0.317 0.795 4.122) 4.210 7.879 ( -1.830 0.027 -3.425) 3.883 8.188 ( 0.967 -1.453 0.293) 1.770 8.313 ( -0.978 -2.073 0.259) 2.307 8.367 ( 3.954 2.962 3.126) 5.847 8.510 ( 4.372 -3.804 5.342) 7.882 8.785 ( -2.789 2.767 5.219) 6.533 8.886 ( -5.284 2.249 -1.627) 5.969 9.120 ( -0.522 -1.368 -1.461) 2.068 9.260 ( -2.194 -0.457 -2.412) 3.292 9.345 ( -0.367 2.673 -2.221) 3.495 ======================= Grid point 93 (38/105) ======================= q-point: ( 0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 4.436 3.819 4.293) 7.259 1.127 ( 9.774 14.890 10.039) 20.446 1.166 ( 8.273 8.368 4.845) 12.726 1.657 ( 1.669 2.503 1.828) 3.520 1.774 ( 3.277 1.586 0.585) 3.687 1.972 ( 10.889 8.395 11.722) 18.068 2.112 ( 7.363 7.249 3.460) 10.897 2.412 ( -0.747 -2.394 -0.954) 2.683 2.483 ( -4.074 -1.754 1.727) 4.760 2.622 ( 0.420 -0.487 1.163) 1.329 2.672 ( 0.383 1.507 1.657) 2.272 2.793 ( -1.942 -1.420 3.421) 4.182 3.054 ( -5.144 -5.213 -1.534) 7.483 3.295 ( -3.712 -4.706 -2.904) 6.661 3.485 ( -0.784 -5.269 0.237) 5.332 3.687 ( -1.637 0.900 3.626) 4.079 3.902 ( -4.736 0.417 -2.377) 5.315 4.026 ( 4.084 -3.113 -1.069) 5.245 4.244 ( -7.994 -6.084 0.661) 10.068 5.036 ( 3.817 9.266 -5.351) 11.361 5.237 ( 8.352 2.625 1.531) 8.888 5.646 ( 0.008 0.409 1.944) 1.987 5.962 ( -2.592 -3.396 -5.344) 6.842 6.152 ( -0.839 1.577 -5.744) 6.015 6.257 ( -1.105 0.188 -2.255) 2.518 6.357 ( 5.761 3.645 -0.230) 6.822 6.470 ( 5.328 3.081 -4.098) 7.394 6.814 ( -8.561 -3.276 0.242) 9.170 7.049 ( -0.529 -4.043 -1.240) 4.262 7.221 ( -1.445 1.288 -0.874) 2.124 7.354 ( 3.712 5.713 2.571) 7.282 7.827 ( 3.138 -1.565 3.121) 4.695 7.934 ( 3.124 6.453 2.336) 7.540 8.024 ( 4.435 4.733 2.627) 6.997 8.171 ( -0.877 -0.623 -0.357) 1.133 8.407 ( -0.727 -0.259 2.755) 2.861 8.469 ( -1.766 -3.101 3.093) 4.723 8.766 ( -0.557 -1.521 1.852) 2.461 9.053 ( -1.623 -5.701 -1.009) 6.013 9.171 ( -3.235 -3.384 2.441) 5.279 9.274 ( -2.041 2.945 -3.926) 5.316 9.407 ( -0.771 -2.225 -3.249) 4.013 ======================= Grid point 94 (39/105) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 0.315 0.773 0.993) 1.297 1.368 ( 11.464 9.044 6.737) 16.081 1.432 ( 5.236 10.446 6.687) 13.463 1.683 ( -0.135 1.442 -0.334) 1.486 1.821 ( 5.363 2.770 2.756) 6.636 2.029 ( 0.452 0.316 -0.804) 0.975 2.281 ( -0.687 -0.671 -1.512) 1.791 2.405 ( -0.772 0.695 0.683) 1.243 2.535 ( -1.444 1.499 2.424) 3.195 2.610 ( -1.785 -3.457 2.445) 4.595 2.766 ( 4.827 4.197 5.391) 8.365 2.838 ( 0.549 1.523 7.073) 7.256 2.991 ( -2.373 -0.841 0.663) 2.603 3.214 ( -1.025 -4.310 0.736) 4.491 3.438 ( -5.002 -2.131 1.259) 5.580 3.729 ( -4.056 -1.290 2.210) 4.796 3.855 ( 1.820 -2.659 -3.667) 4.882 3.968 ( -0.694 -0.640 -1.735) 1.975 4.183 ( -6.359 -3.487 -0.883) 7.305 5.025 ( 10.157 1.321 -3.882) 10.953 5.337 ( 0.475 6.237 0.629) 6.287 5.663 ( -0.301 -0.121 0.176) 0.369 5.856 ( -1.493 -2.466 -4.092) 5.006 6.118 ( -5.944 2.808 -2.544) 7.049 6.248 ( 0.461 1.330 -0.911) 1.677 6.359 ( 5.786 1.265 -4.068) 7.185 6.497 ( 2.726 2.685 1.519) 4.117 6.770 ( -4.162 -1.867 -1.339) 4.754 6.978 ( -0.473 -4.013 -0.074) 4.042 7.195 ( -1.471 -0.776 -3.480) 3.857 7.499 ( 4.520 7.117 4.670) 9.638 7.849 ( 0.989 -1.826 3.806) 4.336 7.916 ( 5.355 -0.791 -6.181) 8.216 8.163 ( -2.826 4.275 0.323) 5.135 8.220 ( -0.151 5.586 4.577) 7.224 8.408 ( 3.243 -1.557 2.158) 4.195 8.520 ( 1.891 0.468 5.307) 5.654 8.773 ( -1.251 0.132 1.186) 1.729 8.952 ( -1.331 -7.124 -0.653) 7.277 9.142 ( -1.295 -2.182 -0.859) 2.679 9.273 ( -2.947 0.576 -0.382) 3.027 9.316 ( -1.705 -2.723 -4.741) 5.727 ======================= Grid point 95 (40/105) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.263 0.196 0.283) 0.433 1.514 ( 6.850 3.034 0.017) 7.492 1.592 ( 8.170 5.238 3.649) 10.369 1.695 ( 0.168 0.289 0.143) 0.364 1.920 ( 5.863 1.647 2.369) 6.535 2.006 ( 0.870 -0.508 -0.165) 1.021 2.244 ( -1.721 -0.911 1.687) 2.577 2.373 ( -1.483 -1.078 -4.258) 4.636 2.495 ( -6.309 -0.448 -4.033) 7.502 2.617 ( -4.558 -2.649 3.287) 6.213 2.803 ( -3.940 -0.876 2.014) 4.511 2.933 ( 3.226 0.014 2.171) 3.888 3.113 ( 1.523 3.138 1.308) 3.726 3.243 ( 3.030 4.568 8.040) 9.731 3.467 ( -4.079 -0.469 3.379) 5.317 3.669 ( 2.222 -5.304 -5.257) 7.792 3.777 ( -2.454 -0.182 -0.857) 2.606 3.954 ( -2.317 1.102 -2.818) 3.812 4.135 ( -5.641 -1.944 0.515) 5.988 5.000 ( 10.683 0.401 -1.356) 10.776 5.393 ( -0.458 1.264 0.615) 1.478 5.649 ( -0.337 -0.764 -0.769) 1.135 5.802 ( -0.764 1.006 -2.360) 2.677 6.130 ( -6.625 -0.273 -0.751) 6.673 6.257 ( 1.488 0.033 -0.187) 1.500 6.340 ( 1.277 3.543 -1.022) 3.902 6.537 ( -0.174 -0.367 0.974) 1.055 6.742 ( 0.569 -0.114 -0.084) 0.586 6.951 ( -1.082 -1.663 1.445) 2.455 7.120 ( -0.585 -1.893 -3.692) 4.190 7.629 ( 7.446 2.974 1.593) 8.175 7.827 ( 1.030 1.064 -3.862) 4.136 7.888 ( 0.326 -0.964 4.560) 4.672 8.176 ( -3.424 0.005 -2.092) 4.013 8.296 ( 0.506 1.143 0.054) 1.252 8.448 ( 5.605 -0.377 2.189) 6.029 8.619 ( 2.709 5.700 3.190) 7.071 8.805 ( -0.318 0.508 1.153) 1.300 8.857 ( -1.976 -6.161 2.110) 6.805 9.101 ( -1.078 -0.146 -2.416) 2.650 9.206 ( -1.184 -2.482 -4.090) 4.928 9.291 ( -3.987 0.163 1.001) 4.114 ======================= Grid point 96 (41/105) ======================= q-point: (-0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.352 -0.136 -0.123) 0.396 1.475 ( 8.279 -2.427 -5.069) 10.006 1.636 ( 6.318 -4.344 -0.449) 7.680 1.700 ( 1.077 -0.075 -1.346) 1.726 1.827 ( 4.538 -3.435 -3.599) 6.734 2.080 ( 1.712 -0.030 3.582) 3.970 2.261 ( 0.252 -2.233 1.734) 2.839 2.346 ( -2.829 4.325 0.168) 5.171 2.474 ( -6.208 2.667 -1.421) 6.905 2.627 ( -4.569 -0.245 1.175) 4.724 2.818 ( -4.196 2.062 -1.329) 4.860 2.953 ( 3.367 -1.695 2.190) 4.359 3.111 ( -0.836 0.732 -4.087) 4.235 3.287 ( 5.790 -6.753 -11.315) 14.393 3.424 ( -3.575 -0.077 3.830) 5.240 3.636 ( 0.511 1.678 2.328) 2.915 3.812 ( 0.670 3.571 -0.177) 3.638 3.935 ( -7.009 2.248 -0.333) 7.369 4.148 ( -3.910 -0.173 2.455) 4.620 4.998 ( 10.894 -0.190 0.775) 10.923 5.400 ( -0.406 -3.162 2.386) 3.982 5.643 ( -0.280 0.381 0.473) 0.669 5.809 ( -0.768 2.408 -0.407) 2.560 6.082 ( -5.377 -2.722 -1.277) 6.160 6.249 ( 1.929 -1.179 0.687) 2.363 6.409 ( -1.593 1.993 2.801) 3.789 6.520 ( -0.427 -0.924 -0.941) 1.386 6.742 ( 2.510 -1.312 -0.332) 2.852 6.963 ( -2.784 1.463 0.988) 3.296 7.090 ( 1.049 0.477 1.574) 1.950 7.585 ( 6.590 -2.594 -5.404) 8.908 7.863 ( 1.123 1.565 2.683) 3.303 7.946 ( 1.322 0.862 3.811) 4.125 8.128 ( -4.591 -1.225 -2.742) 5.487 8.280 ( 2.337 -1.216 -2.311) 3.504 8.434 ( 3.423 -1.253 -1.363) 3.892 8.650 ( 4.224 -3.142 -3.267) 6.196 8.787 ( -1.356 -0.581 0.559) 1.578 8.916 ( -1.187 3.329 5.136) 6.234 9.090 ( -2.238 2.933 -1.471) 3.972 9.158 ( -1.067 1.035 -1.253) 1.944 9.314 ( -3.414 0.069 2.183) 4.053 ======================= Grid point 97 (42/105) ======================= q-point: (-0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -0.055 -0.794 -0.988) 1.269 1.331 ( 12.481 -5.669 -7.477) 15.615 1.436 ( 6.616 -12.507 -8.450) 16.481 1.674 ( 0.251 -0.792 -0.208) 0.857 1.805 ( 4.872 -0.509 -0.190) 4.902 2.061 ( -0.284 -3.245 0.289) 3.270 2.292 ( -0.731 -1.564 2.562) 3.089 2.410 ( -2.634 3.012 0.434) 4.025 2.486 ( 1.221 0.936 -3.883) 4.177 2.633 ( -2.589 0.695 -1.190) 2.933 2.791 ( 3.459 -5.748 -6.682) 9.469 2.844 ( 1.811 -3.495 -9.427) 10.216 2.990 ( -2.715 1.454 0.121) 3.082 3.214 ( -1.728 4.238 -0.080) 4.577 3.468 ( -6.777 0.529 1.445) 6.950 3.688 ( 0.126 3.151 -0.529) 3.197 3.832 ( 2.255 3.218 -1.056) 4.069 4.009 ( -6.199 2.029 3.520) 7.412 4.178 ( -4.055 1.907 0.630) 4.525 5.012 ( 11.091 -1.188 2.657) 11.467 5.356 ( -0.318 -7.661 1.391) 7.792 5.656 ( -0.042 0.784 -0.423) 0.892 5.861 ( -1.834 3.179 2.912) 4.685 6.072 ( -2.958 -0.623 3.942) 4.967 6.243 ( 1.361 -1.068 0.810) 1.910 6.422 ( 1.081 -5.087 2.409) 5.731 6.498 ( 1.662 -1.981 -0.299) 2.603 6.731 ( -0.351 3.605 -0.968) 3.749 7.011 ( -3.507 1.859 1.832) 4.372 7.155 ( 1.792 2.516 3.697) 4.818 7.465 ( 5.626 -3.991 -5.214) 8.647 7.882 ( -0.137 -1.260 -0.348) 1.314 7.984 ( 3.687 -0.275 -0.277) 3.707 8.090 ( -1.200 -3.402 1.570) 3.934 8.204 ( 0.802 -2.248 -4.445) 5.045 8.407 ( 1.535 1.687 -2.112) 3.108 8.542 ( 1.725 -2.062 -5.681) 6.285 8.778 ( -0.532 -1.761 0.799) 2.006 9.010 ( -3.942 2.195 2.283) 5.056 9.138 ( -2.745 5.771 -1.516) 6.568 9.192 ( 1.307 3.037 1.898) 3.813 9.353 ( -2.908 0.196 3.480) 4.539 ======================= Grid point 100 (43/105) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 20.826 -4.861 0.000) 21.386 0.618 ( 20.218 -0.172 0.000) 20.219 1.045 ( 2.968 0.041 0.000) 2.968 1.232 ( 39.204 2.359 0.000) 39.275 1.721 ( 0.493 0.348 0.000) 0.604 1.753 ( 2.980 -0.336 0.000) 2.999 2.111 ( 0.279 0.145 0.000) 0.314 2.434 ( -1.130 -0.190 -0.000) 1.146 2.530 ( -1.762 -0.966 -0.000) 2.009 2.559 ( -2.485 2.380 -0.000) 3.441 2.633 ( 2.534 -1.471 0.000) 2.930 2.809 ( -4.368 -0.713 -0.000) 4.426 3.209 ( -6.083 -0.555 -0.000) 6.108 3.348 ( -2.255 1.210 -0.000) 2.559 3.544 ( -5.009 3.657 -0.000) 6.202 3.661 ( 4.793 -2.247 0.000) 5.294 3.920 ( -4.945 0.896 -0.000) 5.025 4.047 ( 1.533 0.830 0.000) 1.743 4.475 ( -10.377 1.438 -0.000) 10.476 4.771 ( 1.343 -5.877 0.000) 6.028 5.324 ( 13.746 4.148 0.000) 14.359 5.591 ( 2.015 0.159 0.000) 2.021 6.122 ( -2.628 4.143 -0.000) 4.906 6.216 ( 1.149 -1.705 0.000) 2.056 6.245 ( 2.511 -2.738 0.000) 3.715 6.420 ( 1.333 -3.042 0.000) 3.321 6.472 ( 3.280 4.052 0.000) 5.213 6.903 ( -6.886 -6.563 -0.000) 9.513 7.112 ( 0.749 -1.025 0.000) 1.269 7.151 ( 2.431 2.348 0.000) 3.380 7.288 ( -2.903 0.457 -0.000) 2.939 7.682 ( 2.495 -0.493 0.000) 2.543 7.831 ( 7.183 -2.704 0.000) 7.675 7.930 ( 9.068 2.733 0.000) 9.471 8.187 ( -2.026 0.073 -0.000) 2.027 8.341 ( -2.424 0.020 -0.000) 2.424 8.499 ( -6.553 0.117 -0.000) 6.554 8.672 ( -1.211 1.823 -0.000) 2.189 9.141 ( -3.227 1.044 -0.000) 3.392 9.179 ( -3.856 0.492 -0.000) 3.887 9.343 ( 0.769 -1.739 0.000) 1.901 9.472 ( -0.349 0.323 -0.000) 0.475 ======================= Grid point 103 (44/105) ======================= q-point: ( 0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.056 -0.034 0.354) 0.360 1.537 ( 5.331 6.891 2.713) 9.125 1.624 ( 8.047 6.051 4.241) 10.925 1.693 ( 2.121 1.535 2.188) 3.412 1.907 ( 0.642 7.346 1.857) 7.605 2.048 ( 3.314 -1.643 0.337) 3.715 2.242 ( 0.105 -0.168 -2.480) 2.488 2.357 ( -3.081 -2.901 -1.324) 4.434 2.459 ( -3.848 -2.846 -4.508) 6.575 2.596 ( -4.683 -4.348 1.285) 6.518 2.791 ( -4.356 -5.624 2.291) 7.474 2.964 ( 3.460 2.852 -0.158) 4.487 3.104 ( 2.996 2.582 5.275) 6.593 3.260 ( 4.333 1.297 7.402) 8.674 3.405 ( -3.062 -0.244 3.187) 4.426 3.667 ( -4.789 -2.216 -0.887) 5.351 3.854 ( 2.271 -2.567 -3.448) 4.862 3.899 ( -3.017 0.189 -2.179) 3.727 4.109 ( -2.949 -3.470 -1.218) 4.713 5.086 ( 5.259 5.081 -1.875) 7.549 5.365 ( 1.542 1.839 0.538) 2.460 5.651 ( -1.112 -0.535 -0.079) 1.237 5.807 ( -1.167 -3.176 -0.596) 3.436 6.045 ( -3.341 0.292 1.608) 3.719 6.256 ( 1.183 1.571 0.119) 1.970 6.375 ( 3.678 -0.901 -3.281) 5.011 6.520 ( -2.401 -0.704 1.727) 3.040 6.752 ( 2.155 1.812 0.143) 2.819 6.956 ( -2.141 -2.117 -0.604) 3.071 7.116 ( -1.968 -0.282 -3.037) 3.630 7.632 ( 4.293 7.124 5.720) 10.095 7.863 ( 3.756 0.969 -6.345) 7.437 7.933 ( 2.458 -2.655 -0.409) 3.641 8.102 ( -5.295 -0.655 0.460) 5.355 8.292 ( 2.759 3.032 2.469) 4.786 8.481 ( 1.819 5.217 2.826) 6.206 8.620 ( 4.405 -0.403 2.968) 5.327 8.780 ( 1.406 3.075 -0.578) 3.430 8.926 ( -2.708 -5.739 0.100) 6.347 9.078 ( -3.291 -2.261 -3.015) 5.003 9.216 ( -4.278 0.741 0.103) 4.343 9.257 ( -0.504 -4.396 -1.955) 4.838 ======================= Grid point 104 (45/105) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.170 -0.091 0.119) 0.226 1.592 ( 7.380 1.149 -1.301) 7.582 1.689 ( 0.525 1.646 -0.069) 1.729 1.774 ( 8.439 1.368 2.662) 8.955 1.938 ( 3.305 -2.425 -4.200) 5.869 2.079 ( 0.089 2.652 2.849) 3.894 2.227 ( -3.101 1.046 -1.104) 3.454 2.328 ( 1.784 -0.983 -3.056) 3.673 2.361 ( -5.480 0.127 1.184) 5.608 2.563 ( -6.597 -2.501 1.030) 7.130 2.755 ( -5.335 -3.009 1.263) 6.254 3.007 ( 3.269 2.631 0.427) 4.217 3.090 ( 0.443 -0.707 -4.530) 4.606 3.316 ( -3.166 -0.654 1.080) 3.408 3.497 ( 2.527 -2.065 -0.373) 3.285 3.620 ( -2.806 -2.219 -0.583) 3.624 3.800 ( 4.940 1.877 2.008) 5.653 3.847 ( -2.445 0.741 -6.122) 6.634 4.098 ( -4.603 -0.582 3.033) 5.543 5.123 ( 8.009 1.793 0.871) 8.253 5.403 ( -1.793 0.381 2.311) 2.950 5.646 ( -0.611 -1.379 1.313) 2.000 5.785 ( -0.796 -0.927 2.172) 2.492 6.043 ( -4.271 -1.882 -1.369) 4.864 6.295 ( 1.283 -0.240 2.442) 2.769 6.352 ( 1.208 1.931 0.652) 2.369 6.530 ( -2.812 -1.863 2.661) 4.296 6.784 ( 3.609 1.681 0.825) 4.066 6.920 ( -2.337 -0.525 -2.169) 3.232 7.093 ( -0.515 -0.412 1.166) 1.340 7.708 ( 7.050 -0.674 -6.174) 9.396 7.838 ( 2.821 5.074 2.962) 6.517 7.939 ( 0.146 1.781 0.437) 1.840 8.066 ( -6.375 -3.176 -0.849) 7.172 8.326 ( 3.227 0.892 -1.297) 3.590 8.547 ( 7.717 -1.669 -1.052) 7.965 8.652 ( 0.275 6.343 -1.107) 6.445 8.792 ( 0.071 -2.166 -1.947) 2.913 8.895 ( -3.509 -1.910 4.454) 5.983 9.031 ( -1.538 1.413 -2.031) 2.914 9.147 ( -0.310 -2.425 -2.641) 3.599 9.263 ( -4.135 -0.402 3.333) 5.326 ======================= Grid point 105 (46/105) ======================= q-point: (-0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.010 -0.332 -0.129) 0.356 1.551 ( 10.433 -2.954 -3.106) 11.279 1.686 ( 2.585 -4.204 -3.898) 6.289 1.697 ( 5.425 -6.709 -1.504) 8.758 1.881 ( 6.038 0.732 -1.514) 6.268 2.089 ( -2.071 -2.810 -0.674) 3.555 2.232 ( -6.759 3.907 -1.592) 7.968 2.325 ( -0.377 2.900 1.357) 3.224 2.460 ( 0.948 3.734 4.283) 5.760 2.563 ( -5.658 0.626 0.949) 5.771 2.735 ( -4.617 0.087 -1.403) 4.827 2.979 ( -1.082 -2.345 -5.587) 6.155 3.060 ( 3.970 1.810 -1.958) 4.782 3.203 ( 3.699 -8.256 -9.555) 13.158 3.399 ( -3.661 -2.939 0.411) 4.712 3.613 ( -3.714 1.640 -0.647) 4.112 3.800 ( -1.346 5.258 -5.256) 7.555 3.921 ( 1.998 3.628 5.193) 6.642 4.129 ( -4.175 -0.827 2.191) 4.787 5.161 ( 8.793 -0.312 3.192) 9.360 5.417 ( -2.697 -3.743 2.316) 5.162 5.650 ( 0.066 -0.122 0.292) 0.323 5.828 ( 0.012 -0.187 4.809) 4.812 6.020 ( -4.011 0.623 2.053) 4.549 6.293 ( 1.794 -2.473 1.169) 3.271 6.426 ( -0.386 3.414 2.716) 4.379 6.543 ( 0.074 -3.787 4.889) 6.185 6.770 ( 3.755 -2.433 -2.248) 5.007 6.931 ( -3.018 2.978 1.338) 4.446 7.135 ( -0.234 1.639 3.335) 3.723 7.592 ( 6.675 -2.196 -6.532) 9.594 7.881 ( -1.677 -0.494 -2.874) 3.364 8.007 ( 2.651 4.368 1.188) 5.246 8.039 ( -4.566 0.238 2.166) 5.060 8.280 ( 3.028 -2.478 -3.975) 5.577 8.471 ( 6.452 -2.797 -3.737) 7.963 8.631 ( 2.212 -4.652 -4.075) 6.568 8.759 ( -1.773 1.537 -1.953) 3.052 8.931 ( -6.613 0.557 1.375) 6.777 9.042 ( -0.083 4.253 -3.099) 5.263 9.159 ( 0.504 2.484 4.482) 5.149 9.311 ( -3.180 -0.118 4.138) 5.221 ======================= Grid point 106 (47/105) ======================= q-point: (-0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.899 -0.821 -0.425) 1.289 1.433 ( 12.933 -6.854 -4.902) 15.436 1.443 ( 9.694 -11.946 -6.453) 16.683 1.689 ( 1.480 -0.387 0.638) 1.658 1.849 ( 3.017 -2.662 -1.517) 4.300 2.049 ( -1.417 -1.951 -0.250) 2.424 2.279 ( -3.629 2.649 0.096) 4.494 2.382 ( -0.166 2.404 0.266) 2.424 2.476 ( 2.648 -3.483 -4.245) 6.096 2.599 ( -1.543 1.064 0.270) 1.893 2.723 ( -0.458 2.242 -2.706) 3.543 2.796 ( 5.036 -6.680 -6.765) 10.758 2.982 ( 1.534 -2.842 -0.313) 3.245 3.133 ( -6.088 5.777 -2.433) 8.739 3.412 ( -5.147 1.089 2.090) 5.661 3.624 ( -3.338 3.594 -3.640) 6.108 3.834 ( -0.240 5.439 -0.960) 5.528 4.014 ( -0.476 1.471 3.101) 3.465 4.132 ( -3.517 0.482 -0.558) 3.594 5.195 ( 6.388 -3.670 5.042) 8.927 5.359 ( 1.240 -5.405 -0.484) 5.566 5.643 ( 0.176 0.743 -1.715) 1.877 5.910 ( -0.742 0.491 6.692) 6.751 6.121 ( -1.519 3.805 6.697) 7.851 6.272 ( 1.433 -1.688 0.417) 2.254 6.484 ( 3.840 -2.197 3.309) 5.525 6.561 ( 0.617 -4.019 5.575) 6.901 6.720 ( 1.878 1.694 -2.195) 3.349 6.981 ( -4.329 0.644 1.465) 4.616 7.205 ( 0.004 2.236 1.834) 2.892 7.483 ( 6.216 -2.796 -4.497) 8.166 7.820 ( -3.649 -1.086 -2.712) 4.674 8.031 ( 2.773 0.308 -0.089) 2.791 8.110 ( -0.855 2.189 0.820) 2.489 8.165 ( 4.214 -3.304 -5.360) 7.577 8.400 ( 1.400 -0.702 -2.483) 2.936 8.503 ( 4.002 -5.481 -3.656) 7.708 8.729 ( -3.553 -0.251 -3.766) 5.183 8.947 ( -7.398 1.353 -0.326) 7.528 9.074 ( -1.932 5.509 -2.320) 6.281 9.274 ( 2.362 2.893 5.617) 6.746 9.366 ( -2.784 0.203 3.788) 4.706 ======================= Grid point 108 (48/105) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 10.599 -3.177 0.000) 11.065 0.999 ( 15.808 -15.298 0.000) 21.999 1.132 ( 9.489 -3.985 0.000) 10.292 1.652 ( 12.785 -3.177 0.000) 13.174 1.733 ( 1.364 -0.570 0.000) 1.478 1.871 ( 13.934 -3.332 0.000) 14.326 2.139 ( 5.502 -1.385 0.000) 5.674 2.414 ( -2.540 -0.237 -0.000) 2.551 2.465 ( -3.258 4.060 -0.000) 5.206 2.522 ( -2.407 -1.251 -0.000) 2.713 2.696 ( 3.891 -0.906 0.000) 3.995 2.776 ( -1.060 -0.456 -0.000) 1.154 3.089 ( -4.425 6.101 -0.000) 7.536 3.256 ( -10.713 1.633 -0.000) 10.836 3.462 ( -0.047 1.479 -0.000) 1.480 3.684 ( 1.540 5.881 0.000) 6.079 3.908 ( -3.955 -6.791 -0.000) 7.859 3.995 ( -1.286 4.533 -0.000) 4.712 4.297 ( -2.733 8.980 -0.000) 9.386 4.943 ( -1.458 -15.255 -0.000) 15.324 5.435 ( 14.162 6.295 0.000) 15.498 5.612 ( 0.515 -0.035 0.000) 0.517 6.047 ( -2.220 1.865 -0.000) 2.899 6.246 ( 3.264 0.841 0.000) 3.370 6.362 ( 3.936 -5.366 0.000) 6.655 6.419 ( 2.570 3.852 0.000) 4.630 6.519 ( 1.548 -4.602 0.000) 4.855 6.864 ( -5.085 -0.168 -0.000) 5.088 7.001 ( -5.602 5.091 -0.000) 7.570 7.225 ( 0.649 0.607 0.000) 0.889 7.304 ( 2.636 -6.270 0.000) 6.802 7.781 ( 4.048 -5.247 0.000) 6.627 7.916 ( 0.751 -1.031 0.000) 1.275 8.043 ( 9.156 1.555 0.000) 9.287 8.168 ( 1.832 1.395 0.000) 2.303 8.327 ( 0.489 -2.280 0.000) 2.331 8.409 ( -5.574 0.208 -0.000) 5.578 8.606 ( -4.987 1.068 -0.000) 5.100 9.030 ( -6.408 4.029 -0.000) 7.569 9.143 ( -1.315 0.957 -0.000) 1.627 9.367 ( -1.296 -1.859 -0.000) 2.266 9.455 ( -0.173 1.414 -0.000) 1.424 ======================= Grid point 109 (49/105) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 14.551 -0.930 3.852) 15.081 0.907 ( 11.597 -3.589 6.007) 13.544 1.145 ( 10.981 0.293 4.589) 11.905 1.653 ( 8.065 0.101 1.756) 8.254 1.738 ( 1.824 1.219 -0.098) 2.196 1.903 ( 17.113 0.965 7.997) 18.914 2.130 ( 6.588 0.174 0.039) 6.590 2.403 ( -3.325 0.565 -1.363) 3.638 2.488 ( -3.492 -0.613 -0.240) 3.553 2.559 ( -0.879 1.521 4.145) 4.502 2.680 ( 3.075 -1.781 0.373) 3.574 2.762 ( -2.535 -1.430 0.613) 2.974 3.124 ( -4.308 -0.314 -1.742) 4.658 3.263 ( -7.078 2.137 -1.333) 7.512 3.517 ( -1.998 3.609 1.945) 4.561 3.734 ( 4.914 -1.558 0.349) 5.167 3.816 ( -7.538 -2.855 -1.403) 8.182 4.060 ( 0.026 4.277 0.102) 4.278 4.372 ( -4.631 -0.929 -0.257) 4.731 4.789 ( 1.525 -2.917 -0.509) 3.330 5.465 ( 11.787 2.604 -4.521) 12.890 5.626 ( 1.429 -0.250 1.575) 2.142 6.051 ( -1.737 2.718 -5.377) 6.270 6.242 ( 2.350 -3.417 -0.208) 4.152 6.275 ( 4.212 -0.462 -1.957) 4.668 6.416 ( 2.710 -2.367 -3.524) 5.036 6.480 ( 3.057 5.044 -4.409) 7.363 6.811 ( -9.022 -6.957 1.765) 11.529 7.073 ( -2.864 5.340 -1.951) 6.366 7.198 ( 1.921 -3.692 -0.593) 4.204 7.293 ( 0.728 -0.060 4.371) 4.432 7.734 ( 2.747 -0.423 1.738) 3.278 7.916 ( 3.075 -1.454 0.984) 3.541 8.075 ( 6.366 0.267 2.664) 6.907 8.198 ( 5.697 1.260 0.743) 5.881 8.322 ( -2.416 -0.319 1.563) 2.896 8.414 ( -6.118 0.235 1.188) 6.236 8.690 ( -4.200 2.418 6.752) 8.311 9.069 ( -6.021 3.151 -1.561) 6.973 9.138 ( -1.661 -1.438 -0.301) 2.218 9.319 ( -0.937 -2.312 -2.549) 3.567 9.454 ( -0.581 0.536 -1.924) 2.080 ======================= Grid point 112 (50/105) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.119 -0.143 0.069) 0.199 1.612 ( 1.327 5.959 1.130) 6.208 1.680 ( 2.437 1.079 -0.412) 2.697 1.782 ( -1.673 7.776 0.282) 7.959 1.940 ( 3.734 3.373 2.579) 5.655 2.051 ( -0.777 2.108 -3.674) 4.306 2.216 ( -0.899 -2.050 -3.791) 4.403 2.344 ( 1.826 0.063 1.886) 2.626 2.386 ( -0.367 -7.322 1.811) 7.552 2.545 ( -2.696 -4.936 -0.405) 5.639 2.755 ( -3.555 -5.565 0.787) 6.650 2.980 ( 1.453 4.704 -3.056) 5.795 3.121 ( 0.944 -0.740 -0.968) 1.541 3.309 ( -3.557 -3.941 -1.362) 5.481 3.476 ( -0.471 4.759 -1.572) 5.034 3.624 ( -0.674 -2.714 1.250) 3.063 3.768 ( 0.166 2.615 -2.254) 3.456 3.935 ( 3.223 -3.406 3.021) 5.578 4.058 ( -2.393 -2.861 -0.884) 3.833 5.127 ( 1.703 7.778 1.106) 8.039 5.385 ( 0.272 -0.355 0.726) 0.853 5.645 ( -0.933 -0.430 1.634) 1.930 5.806 ( -1.747 -2.892 3.182) 4.642 6.045 ( -0.282 -4.006 0.312) 4.028 6.279 ( 0.188 2.017 1.423) 2.475 6.378 ( 0.187 -0.215 1.097) 1.133 6.515 ( -1.534 -2.159 2.085) 3.370 6.779 ( 0.992 3.955 -0.517) 4.111 6.918 ( -0.016 -1.676 -2.009) 2.616 7.096 ( 0.187 -0.680 2.105) 2.220 7.734 ( 1.918 6.065 -0.672) 6.397 7.838 ( 3.175 2.108 -0.997) 3.939 7.896 ( -1.742 1.233 -4.391) 4.882 8.093 ( -0.479 -6.855 3.429) 7.680 8.332 ( 0.934 2.772 -0.870) 3.052 8.521 ( 1.335 7.773 -0.503) 7.903 8.715 ( 6.467 -0.461 -0.646) 6.515 8.759 ( -3.189 1.815 -2.356) 4.361 8.842 ( -5.345 -1.016 -2.500) 5.988 9.052 ( 1.605 -3.457 1.022) 3.946 9.191 ( -0.015 -0.702 1.326) 1.501 9.235 ( -1.877 -4.208 1.210) 4.764 ======================= Grid point 113 (51/105) ======================= q-point: (-0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.110 -0.100 0.079) 0.168 1.669 ( 4.770 1.569 -0.825) 5.088 1.690 ( -0.078 1.540 -0.205) 1.555 1.851 ( 0.148 2.049 -3.022) 3.654 1.940 ( 3.457 -1.808 -1.650) 4.236 2.057 ( -2.187 4.447 -2.348) 5.484 2.120 ( -2.197 -3.292 -4.103) 5.701 2.308 ( -0.449 -2.336 1.670) 2.907 2.449 ( 3.541 2.382 5.877) 7.264 2.501 ( -3.363 -1.997 1.477) 4.181 2.705 ( -3.474 -3.269 0.502) 4.796 2.965 ( -1.062 1.469 -6.628) 6.871 3.073 ( 3.556 0.969 -4.726) 5.993 3.257 ( -3.738 -2.747 0.030) 4.639 3.470 ( -1.598 1.421 -4.372) 4.867 3.575 ( -3.065 -2.422 -1.415) 4.155 3.721 ( 1.742 -1.862 -6.804) 7.266 3.949 ( 5.906 1.512 3.370) 6.966 4.077 ( -4.270 -0.071 3.312) 5.404 5.236 ( 4.475 3.990 2.944) 6.679 5.398 ( -3.090 -1.345 2.358) 4.113 5.660 ( -0.618 -1.095 1.174) 1.720 5.844 ( -0.431 -1.233 7.006) 7.126 5.984 ( -1.590 -2.457 -0.290) 2.940 6.321 ( -0.584 0.781 0.905) 1.330 6.411 ( 2.129 -0.556 4.027) 4.589 6.559 ( -2.336 -0.486 6.664) 7.078 6.829 ( 1.207 2.369 -1.541) 3.074 6.871 ( 0.370 0.085 -0.077) 0.387 7.123 ( -0.028 -0.759 3.309) 3.395 7.686 ( 3.806 0.418 -7.583) 8.495 7.838 ( -3.559 0.779 -5.266) 6.404 7.954 ( 2.867 4.831 4.333) 7.095 8.048 ( -0.496 -4.366 1.693) 4.708 8.323 ( 1.301 0.781 -3.950) 4.231 8.597 ( 0.723 5.126 -4.001) 6.543 8.625 ( 4.406 -2.075 -4.634) 6.723 8.773 ( -0.753 -0.092 -0.552) 0.938 8.813 ( -6.645 -0.409 -0.144) 6.660 9.016 ( 1.984 0.549 -5.233) 5.624 9.174 ( 1.040 -2.940 6.391) 7.111 9.274 ( -2.044 0.035 4.597) 5.031 ======================= Grid point 115 (52/105) ======================= q-point: (-0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.205 -0.141 0.063) 0.257 1.648 ( 6.887 -2.669 -1.680) 7.575 1.664 ( 1.778 -4.637 -3.493) 6.071 1.754 ( 5.712 -5.043 -1.788) 7.827 1.900 ( 1.035 0.462 -3.438) 3.620 2.044 ( -2.194 -2.548 -0.435) 3.391 2.128 ( -5.371 6.860 0.123) 8.713 2.333 ( -0.793 2.424 0.933) 2.716 2.496 ( -0.775 -0.214 0.695) 1.062 2.567 ( -0.861 0.913 4.373) 4.550 2.680 ( -0.064 1.396 -1.173) 1.825 2.861 ( -1.186 -0.611 -7.789) 7.903 3.025 ( -1.609 0.636 -4.767) 5.072 3.220 ( 7.021 -5.984 -0.400) 9.234 3.360 ( 1.378 -4.885 -1.955) 5.439 3.544 ( -3.537 2.288 -2.983) 5.162 3.705 ( -3.472 8.360 -2.775) 9.468 3.998 ( 1.302 1.508 0.783) 2.141 4.104 ( -2.159 -1.424 1.759) 3.128 5.303 ( 3.152 -2.140 4.078) 5.581 5.403 ( -1.028 -1.125 1.510) 2.145 5.641 ( 0.532 0.210 -2.403) 2.470 5.928 ( 1.543 -1.798 7.493) 7.859 6.032 ( -2.529 3.792 6.006) 7.540 6.318 ( 0.919 -1.745 0.327) 2.000 6.486 ( 0.700 2.603 4.948) 5.635 6.625 ( 0.444 -2.741 5.466) 6.130 6.780 ( 2.584 -2.112 -2.573) 4.214 6.928 ( -2.235 0.104 3.629) 4.263 7.168 ( -0.466 1.803 2.374) 3.017 7.586 ( 3.958 -1.349 -6.028) 7.336 7.773 ( -3.433 -0.154 -3.815) 5.134 8.023 ( -0.766 0.100 -1.028) 1.286 8.050 ( -0.232 3.481 0.672) 3.553 8.259 ( 2.183 -1.557 -3.985) 4.803 8.491 ( 5.611 -4.295 -4.314) 8.279 8.619 ( -1.069 0.234 -2.118) 2.384 8.714 ( 1.802 -5.024 -1.661) 5.590 8.827 ( -5.474 2.325 -1.897) 6.243 8.969 ( -2.382 4.667 -4.322) 6.792 9.270 ( 1.657 1.685 6.865) 7.260 9.333 ( -1.802 -0.230 3.991) 4.385 ======================= Grid point 117 (53/105) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 1.811 -0.359 0.000) 1.846 1.341 ( 12.363 -8.048 0.000) 14.752 1.415 ( 11.784 -10.582 0.000) 15.838 1.721 ( -0.346 -0.528 -0.000) 0.632 1.795 ( 2.777 -4.274 0.000) 5.097 1.995 ( -0.485 -0.977 -0.000) 1.091 2.271 ( -1.787 1.128 -0.000) 2.113 2.368 ( -4.154 0.281 -0.000) 4.163 2.475 ( 12.870 -2.590 0.000) 13.128 2.510 ( -0.371 -0.304 -0.000) 0.480 2.741 ( 1.206 -0.225 0.000) 1.227 2.779 ( -0.225 0.428 -0.000) 0.484 2.959 ( -3.783 5.168 -0.000) 6.404 3.112 ( 0.863 2.129 0.000) 2.297 3.441 ( -2.266 1.250 -0.000) 2.588 3.601 ( 2.345 7.929 0.000) 8.268 3.862 ( -4.377 2.422 -0.000) 5.003 4.015 ( 0.597 -4.355 0.000) 4.396 4.144 ( -2.112 9.054 -0.000) 9.297 5.116 ( -1.485 -12.729 -0.000) 12.815 5.539 ( 12.556 5.552 0.000) 13.729 5.598 ( -1.829 0.651 -0.000) 1.942 6.019 ( -0.164 -0.312 -0.000) 0.352 6.283 ( 3.848 1.439 0.000) 4.108 6.327 ( 0.010 6.199 -0.000) 6.199 6.569 ( 4.235 -7.781 0.000) 8.859 6.597 ( 1.903 -5.219 0.000) 5.556 6.782 ( 0.144 6.934 0.000) 6.935 6.881 ( -8.534 -3.012 -0.000) 9.050 7.216 ( -1.198 -0.493 -0.000) 1.295 7.426 ( 3.854 -3.982 0.000) 5.542 7.826 ( -1.654 3.035 -0.000) 3.457 7.939 ( -1.841 -5.016 -0.000) 5.343 8.053 ( -3.084 1.317 -0.000) 3.354 8.208 ( 4.965 2.507 0.000) 5.562 8.371 ( 1.313 -2.299 0.000) 2.647 8.464 ( 9.267 -4.807 0.000) 10.440 8.538 ( -5.299 -2.795 -0.000) 5.991 8.879 ( -7.080 4.205 -0.000) 8.235 9.092 ( -1.481 4.429 -0.000) 4.670 9.362 ( -2.519 -1.746 -0.000) 3.065 9.431 ( -0.022 1.997 -0.000) 1.997 ======================= Grid point 118 (54/105) ======================= q-point: (-0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 2.573 -0.402 0.145) 2.608 1.217 ( 12.845 -11.822 2.530) 17.639 1.355 ( 14.799 -3.354 5.739) 16.223 1.704 ( -0.174 -1.155 -0.704) 1.364 1.756 ( 1.611 -1.455 -0.118) 2.174 2.010 ( 1.509 0.612 2.760) 3.205 2.285 ( 0.124 0.269 1.434) 1.464 2.353 ( 2.155 -1.518 0.234) 2.646 2.465 ( 1.778 -0.069 0.620) 1.884 2.552 ( 4.633 1.576 4.143) 6.412 2.735 ( 1.235 -2.014 0.642) 2.448 2.771 ( 0.072 -0.779 0.371) 0.866 3.046 ( -0.784 6.105 -0.561) 6.180 3.137 ( -4.747 1.326 0.017) 4.929 3.457 ( -0.969 2.230 0.378) 2.461 3.702 ( -1.485 3.307 1.053) 3.775 3.861 ( -0.409 -2.641 -0.868) 2.810 3.987 ( -0.292 2.236 0.171) 2.261 4.272 ( -1.229 8.739 -0.252) 8.829 4.927 ( 0.171 -12.708 -1.375) 12.783 5.542 ( 4.962 2.923 -5.188) 7.751 5.658 ( 4.890 1.583 2.534) 5.730 6.003 ( 0.132 2.099 -3.737) 4.288 6.297 ( 4.091 0.875 -0.466) 4.209 6.374 ( 2.696 2.639 -4.715) 6.038 6.437 ( 3.521 -3.654 -3.352) 6.081 6.513 ( 1.809 -3.787 -2.974) 5.144 6.779 ( -7.257 -4.869 0.505) 8.754 6.933 ( -3.313 7.683 -0.572) 8.386 7.218 ( -1.570 -0.217 0.496) 1.660 7.377 ( 2.873 -6.320 3.696) 7.865 7.794 ( 1.044 -1.647 -2.200) 2.940 7.927 ( -2.597 -0.869 1.103) 2.953 8.092 ( -2.252 -0.523 4.468) 5.031 8.268 ( 4.435 3.112 1.833) 5.720 8.338 ( -1.864 -0.445 0.079) 1.918 8.409 ( 9.121 -4.400 0.840) 10.162 8.587 ( -4.226 2.230 6.907) 8.399 8.931 ( -6.871 3.743 -0.824) 7.868 9.131 ( -0.618 0.975 0.071) 1.156 9.322 ( -2.626 -1.947 -1.926) 3.795 9.433 ( -0.578 1.282 -2.602) 2.957 ======================= Grid point 119 (55/105) ======================= q-point: (-0.11 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 1.617 0.225 0.769) 1.804 1.162 ( 12.213 -3.640 6.124) 14.139 1.427 ( 14.066 0.281 6.865) 15.654 1.682 ( -0.051 -0.569 -0.466) 0.738 1.745 ( 0.395 0.423 -0.620) 0.848 2.065 ( 1.827 1.628 1.973) 3.144 2.287 ( -6.295 1.580 -2.537) 6.968 2.399 ( 2.557 -2.098 7.791) 8.464 2.467 ( 2.905 -0.176 0.945) 3.060 2.646 ( 5.537 3.208 4.085) 7.592 2.709 ( 2.085 -1.805 1.369) 3.079 2.790 ( 2.684 -1.250 4.758) 5.604 3.066 ( 0.983 -0.063 -2.288) 2.491 3.163 ( -5.333 2.193 -0.106) 5.768 3.520 ( -2.222 3.046 2.644) 4.605 3.688 ( -7.313 -3.225 -2.370) 8.337 3.802 ( 4.917 -2.793 -0.817) 5.713 4.054 ( -0.971 4.492 0.383) 4.612 4.325 ( -1.246 -1.279 -1.497) 2.330 4.794 ( 1.155 -1.171 -1.350) 2.128 5.505 ( 3.847 2.029 -5.286) 6.846 5.671 ( 3.385 -0.889 -0.451) 3.529 5.953 ( 0.879 0.504 -7.437) 7.506 6.256 ( 1.278 -2.102 -1.990) 3.164 6.300 ( 4.966 -3.601 -3.440) 7.033 6.418 ( 2.739 4.973 -3.237) 6.535 6.472 ( 2.701 1.728 -0.531) 3.250 6.719 ( -6.595 -5.316 1.460) 8.596 7.009 ( -2.283 5.383 -1.812) 6.121 7.186 ( -0.512 -3.075 -2.200) 3.816 7.382 ( 0.961 -2.167 5.512) 6.000 7.792 ( 1.113 1.141 2.968) 3.369 7.917 ( -2.658 0.416 -1.602) 3.131 8.138 ( -0.497 -1.513 4.201) 4.493 8.281 ( 0.053 -0.838 -1.173) 1.443 8.370 ( 2.345 -2.247 2.652) 4.193 8.418 ( 6.354 3.410 4.449) 8.473 8.730 ( -3.726 2.314 7.562) 8.742 8.953 ( -6.623 2.989 -2.192) 7.590 9.116 ( -0.155 -1.773 -1.284) 2.194 9.267 ( -1.795 -2.239 -2.025) 3.513 9.407 ( -1.057 0.746 -3.034) 3.299 ======================= Grid point 122 (56/105) ======================= q-point: ( 0.22 -0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.336 0.074 -0.069) 0.351 1.594 ( -4.383 6.442 -1.424) 7.921 1.655 ( -7.949 8.372 -5.290) 12.699 1.701 ( -1.224 1.726 0.378) 2.150 1.945 ( -4.609 3.956 -4.861) 7.780 2.018 ( 2.595 0.294 0.785) 2.727 2.203 ( 5.202 -2.791 -0.627) 5.937 2.369 ( -0.285 -4.761 1.746) 5.079 2.496 ( 3.207 -2.592 3.465) 5.386 2.532 ( 2.096 -2.526 0.785) 3.375 2.725 ( -0.299 -4.111 -0.696) 4.180 2.932 ( 0.597 3.262 -5.730) 6.620 3.106 ( -0.899 1.642 -4.641) 5.005 3.179 ( -7.251 4.028 -6.448) 10.506 3.368 ( -0.798 -1.822 -2.642) 3.307 3.623 ( 1.562 -5.441 -1.576) 5.876 3.819 ( 4.042 -1.167 -0.161) 4.210 3.994 ( -3.221 -0.881 3.422) 4.782 4.064 ( 4.733 -2.127 1.130) 5.311 5.167 ( -0.494 8.479 3.657) 9.247 5.390 ( -2.030 -0.839 1.199) 2.502 5.659 ( -0.657 -0.661 0.973) 1.348 5.838 ( -1.413 -0.677 4.806) 5.055 6.046 ( 0.194 -6.352 1.750) 6.592 6.284 ( -1.605 1.533 1.044) 2.453 6.435 ( 0.451 2.615 5.762) 6.344 6.526 ( -1.789 -0.855 2.646) 3.306 6.766 ( -1.422 3.056 -0.879) 3.483 6.918 ( 3.336 -0.933 -0.779) 3.551 7.154 ( 1.148 -2.094 3.888) 4.563 7.640 ( -5.180 3.431 -6.254) 8.816 7.827 ( 2.811 0.899 -5.133) 5.921 7.946 ( 3.521 3.889 5.730) 7.769 8.125 ( -0.678 -6.822 1.247) 6.968 8.289 ( -2.655 2.220 -3.835) 5.166 8.484 ( -1.947 6.053 -4.653) 7.879 8.620 ( -7.545 3.571 -2.762) 8.793 8.738 ( 3.740 -0.179 -5.381) 6.555 8.850 ( 5.563 -0.750 1.128) 5.726 9.079 ( 1.898 -3.841 -1.493) 4.537 9.235 ( -1.307 -5.042 3.797) 6.446 9.267 ( 2.254 0.454 4.807) 5.329 ======================= Grid point 126 (57/105) ======================= q-point: (-0.44 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.387 0.368 0.000) 0.534 1.548 ( 3.351 -4.646 0.000) 5.729 1.640 ( 3.746 -4.723 0.000) 6.028 1.719 ( -1.021 -1.973 -0.000) 2.221 1.906 ( 6.629 0.104 0.000) 6.630 1.972 ( -3.419 -3.262 -0.000) 4.726 2.169 ( -4.261 3.378 -0.000) 5.437 2.304 ( -3.636 0.398 -0.000) 3.658 2.510 ( -0.312 -1.312 -0.000) 1.349 2.613 ( 4.371 1.483 0.000) 4.616 2.696 ( -5.216 6.673 -0.000) 8.470 2.740 ( 0.259 -0.606 0.000) 0.659 2.953 ( 5.031 -3.647 0.000) 6.214 3.253 ( 8.996 -3.719 0.000) 9.734 3.381 ( 0.827 2.486 0.000) 2.620 3.556 ( 6.116 6.984 0.000) 9.283 3.743 ( -4.921 7.480 -0.000) 8.954 3.983 ( -3.151 3.169 -0.000) 4.469 4.102 ( 1.276 -2.314 0.000) 2.642 5.234 ( -2.784 -7.951 -0.000) 8.424 5.558 ( -2.210 0.194 -0.000) 2.218 5.612 ( 9.503 6.189 0.000) 11.341 6.053 ( 2.685 -2.064 0.000) 3.386 6.213 ( -0.836 7.067 -0.000) 7.116 6.332 ( 2.315 0.094 0.000) 2.317 6.584 ( -4.575 0.084 -0.000) 4.575 6.711 ( 1.759 3.330 0.000) 3.766 6.741 ( 2.268 -2.405 0.000) 3.306 6.889 ( -2.401 -9.823 -0.000) 10.112 7.199 ( -2.239 0.040 -0.000) 2.240 7.498 ( 1.136 -0.761 0.000) 1.367 7.752 ( -0.930 2.098 -0.000) 2.295 7.943 ( -3.185 -0.215 -0.000) 3.192 7.994 ( -3.057 -0.948 -0.000) 3.200 8.205 ( -2.241 -0.834 -0.000) 2.391 8.469 ( 0.264 -1.730 0.000) 1.750 8.542 ( 3.593 -5.880 0.000) 6.891 8.639 ( 2.121 -1.543 0.000) 2.623 8.785 ( 2.792 -0.693 0.000) 2.877 8.974 ( -2.963 8.327 -0.000) 8.838 9.352 ( -2.293 -1.348 -0.000) 2.660 9.405 ( -0.069 1.241 -0.000) 1.243 ======================= Grid point 127 (58/105) ======================= q-point: (-0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.748 0.248 -0.241) 0.824 1.487 ( 5.972 -7.358 1.866) 9.659 1.586 ( 8.886 -4.211 2.564) 10.163 1.692 ( -1.374 -1.624 -0.496) 2.184 1.846 ( 3.432 -5.757 0.022) 6.702 1.995 ( -0.648 1.635 2.811) 3.316 2.185 ( -6.359 2.360 -3.128) 7.469 2.340 ( -3.771 0.481 4.124) 5.609 2.492 ( -1.337 -1.704 -0.249) 2.180 2.632 ( 5.005 3.044 -1.316) 6.004 2.737 ( -1.857 1.775 1.271) 2.866 2.794 ( 1.290 -0.238 3.035) 3.306 2.947 ( 1.089 1.629 3.736) 4.218 3.215 ( 12.158 -1.811 -0.685) 12.311 3.411 ( -0.858 2.633 -0.586) 2.831 3.654 ( 1.472 3.525 1.267) 4.025 3.804 ( -2.486 4.845 -0.367) 5.458 4.031 ( 1.756 -2.950 0.460) 3.464 4.116 ( -1.447 9.940 -0.687) 10.068 5.094 ( -0.402 -10.997 -1.560) 11.115 5.530 ( -1.740 1.042 -3.959) 4.448 5.712 ( 8.145 4.321 1.461) 9.335 6.008 ( 2.617 -0.214 -3.318) 4.232 6.280 ( -0.397 8.171 -5.159) 9.672 6.341 ( 3.339 1.377 -0.235) 3.619 6.532 ( -1.854 -2.498 -4.212) 5.236 6.642 ( 4.549 -8.002 -4.072) 10.065 6.765 ( -4.001 -5.192 -0.067) 6.555 6.804 ( -1.051 5.695 1.720) 6.041 7.196 ( -2.582 -0.689 0.674) 2.756 7.486 ( 1.387 -4.132 2.369) 4.961 7.769 ( -2.215 1.961 -1.780) 3.452 7.910 ( -4.772 -3.990 0.104) 6.221 8.048 ( -3.116 1.376 6.159) 7.038 8.224 ( -3.176 1.309 2.527) 4.265 8.410 ( 4.491 -3.767 -2.049) 6.210 8.509 ( -1.968 -3.517 4.242) 5.851 8.639 ( 10.090 -0.430 2.202) 10.337 8.806 ( -2.688 2.133 0.949) 3.560 9.075 ( -1.633 5.396 0.748) 5.688 9.313 ( -2.500 -2.113 -1.939) 3.805 9.403 ( -0.984 1.429 -2.771) 3.269 ======================= Grid point 128 (59/105) ======================= q-point: (-0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.839 0.194 -0.161) 0.876 1.401 ( 8.093 -8.510 2.981) 12.116 1.593 ( 8.625 -1.226 1.590) 8.855 1.671 ( -2.182 -0.032 -0.199) 2.191 1.790 ( 3.395 -4.125 2.094) 5.738 2.056 ( 0.062 2.231 0.856) 2.391 2.167 ( -6.861 1.150 -1.562) 7.130 2.398 ( -4.646 -1.323 2.356) 5.375 2.478 ( -1.106 -0.151 2.901) 3.108 2.664 ( 3.229 3.829 -1.104) 5.129 2.764 ( 0.144 -2.056 2.763) 3.447 2.849 ( 4.708 1.547 5.527) 7.423 3.056 ( -1.098 3.691 4.567) 5.974 3.174 ( 11.369 -2.320 -1.177) 11.663 3.454 ( -1.173 3.237 1.368) 3.705 3.636 ( -6.526 -3.806 -1.876) 7.784 3.892 ( 4.568 3.598 -0.830) 5.874 3.985 ( -0.624 0.095 0.225) 0.670 4.255 ( 1.074 10.124 -1.453) 10.284 4.908 ( 0.817 -11.221 -2.381) 11.500 5.488 ( -1.783 1.511 -4.614) 5.172 5.734 ( 5.262 0.789 -2.906) 6.063 5.971 ( 3.711 1.390 -4.554) 6.037 6.296 ( 0.302 3.112 -5.723) 6.521 6.338 ( 1.477 2.129 -4.063) 4.819 6.439 ( 3.770 -2.111 -3.618) 5.636 6.501 ( 0.451 -3.801 -0.299) 3.840 6.716 ( -2.866 -3.768 1.294) 4.908 6.905 ( -0.806 5.996 0.619) 6.082 7.190 ( -1.887 -0.245 -1.588) 2.478 7.451 ( -0.723 -6.904 4.541) 8.295 7.775 ( -2.915 1.108 0.518) 3.161 7.866 ( -3.514 -0.996 -1.329) 3.886 8.143 ( -2.007 -1.151 6.486) 6.886 8.276 ( -3.702 -0.182 1.755) 4.101 8.371 ( 3.420 0.327 0.951) 3.565 8.518 ( 0.985 -2.188 3.138) 3.950 8.706 ( 6.885 2.143 5.485) 9.060 8.844 ( -3.128 2.074 -0.039) 3.754 9.127 ( -0.092 0.878 0.060) 0.884 9.257 ( -2.625 -1.395 -2.225) 3.713 9.378 ( -1.163 1.259 -3.270) 3.692 ======================= Grid point 129 (60/105) ======================= q-point: (-0.11 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 0.445 0.118 0.064) 0.465 1.366 ( 7.093 -3.222 4.000) 8.758 1.569 ( 1.434 1.505 -4.060) 4.561 1.683 ( -0.422 0.006 0.981) 1.068 1.801 ( 5.817 -1.355 4.736) 7.623 2.047 ( -4.055 2.875 -5.970) 7.769 2.207 ( -2.378 1.266 3.943) 4.775 2.372 ( -4.256 -2.468 -0.364) 4.933 2.535 ( -1.812 -2.001 4.448) 5.203 2.697 ( 1.186 2.408 -0.711) 2.777 2.799 ( 2.144 -0.143 4.797) 5.256 2.942 ( 3.823 2.125 2.541) 5.058 3.113 ( 0.709 -1.430 -0.013) 1.596 3.176 ( 9.859 0.887 6.585) 11.889 3.485 ( -5.976 -0.497 -4.561) 7.535 3.586 ( -3.064 1.240 2.338) 4.049 3.832 ( 2.445 -4.221 -2.678) 5.565 4.050 ( -0.651 3.453 0.476) 3.546 4.300 ( 2.517 -1.006 -2.538) 3.713 4.786 ( 0.791 -0.233 -1.660) 1.853 5.451 ( -1.820 1.578 -4.083) 4.740 5.690 ( 3.456 -0.132 -3.321) 4.795 5.891 ( 3.744 -1.409 -6.512) 7.643 6.231 ( 0.275 -0.651 -2.848) 2.934 6.300 ( 2.189 -1.133 -4.456) 5.092 6.386 ( -2.569 1.063 -1.992) 3.420 6.524 ( 2.389 0.051 2.857) 3.724 6.707 ( 0.638 -0.170 1.972) 2.080 6.970 ( -0.763 3.375 -0.703) 3.531 7.133 ( -0.656 -1.956 -3.633) 4.178 7.448 ( -1.915 -2.524 4.925) 5.856 7.811 ( -7.693 1.179 0.388) 7.793 7.861 ( 1.370 1.105 2.095) 2.737 8.181 ( 0.635 -0.739 1.197) 1.544 8.274 ( -1.656 -1.914 1.632) 3.011 8.401 ( 0.246 -0.248 1.625) 1.662 8.556 ( 1.901 1.855 2.695) 3.784 8.802 ( 0.279 1.265 2.735) 3.026 8.869 ( 0.131 1.800 1.513) 2.355 9.101 ( 1.249 -1.935 -1.725) 2.877 9.222 ( -1.602 -1.001 -1.000) 2.138 9.359 ( -0.995 0.602 -1.545) 1.934 ======================= Grid point 134 (61/105) ======================= q-point: ( 0.44 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.067 0.649 -0.000) 0.652 1.516 ( -9.541 2.419 -0.000) 9.843 1.633 ( -3.161 7.137 -0.000) 7.806 1.715 ( -1.029 -0.235 -0.000) 1.056 1.882 ( -2.990 2.510 -0.000) 3.904 2.051 ( 1.960 -1.985 0.000) 2.790 2.155 ( 3.450 -4.001 0.000) 5.283 2.301 ( 0.619 -3.528 0.000) 3.582 2.531 ( -0.885 0.343 -0.000) 0.949 2.554 ( -1.735 2.747 -0.000) 3.249 2.627 ( -0.985 -1.513 -0.000) 1.805 2.806 ( 6.369 -0.682 0.000) 6.405 3.053 ( 5.681 0.589 0.000) 5.712 3.197 ( -8.711 8.425 -0.000) 12.119 3.441 ( 6.398 2.152 0.000) 6.751 3.594 ( 1.434 4.834 0.000) 5.042 3.637 ( 8.366 -1.779 0.000) 8.553 3.958 ( -0.265 -2.621 -0.000) 2.634 4.143 ( 1.493 -0.639 0.000) 1.624 5.226 ( -8.656 -2.125 -0.000) 8.913 5.558 ( 0.486 -2.074 0.000) 2.130 5.624 ( 6.956 8.456 0.000) 10.950 6.108 ( 1.202 3.498 0.000) 3.699 6.158 ( 4.418 -1.309 0.000) 4.608 6.339 ( -0.182 1.549 -0.000) 1.559 6.504 ( -4.765 -0.558 -0.000) 4.798 6.690 ( -5.207 0.819 -0.000) 5.271 6.752 ( 2.026 1.474 0.000) 2.505 6.995 ( 0.372 -4.678 0.000) 4.693 7.162 ( -2.118 -0.428 -0.000) 2.161 7.469 ( -3.940 1.136 -0.000) 4.101 7.774 ( 2.606 -1.960 0.000) 3.261 7.898 ( -1.207 0.937 -0.000) 1.528 8.007 ( -1.448 -4.433 -0.000) 4.664 8.188 ( -1.630 -1.043 -0.000) 1.935 8.403 ( -5.042 2.832 -0.000) 5.783 8.625 ( -0.610 -2.250 -0.000) 2.332 8.750 ( 5.190 -5.653 0.000) 7.674 8.758 ( -2.679 9.031 -0.000) 9.420 8.944 ( 7.216 -2.472 0.000) 7.628 9.330 ( -2.481 -0.544 -0.000) 2.540 9.408 ( 0.842 -0.826 0.000) 1.179 ======================= Grid point 135 (62/105) ======================= q-point: ( 0.56 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.285 0.597 -0.122) 0.673 1.541 ( -5.226 0.634 0.681) 5.309 1.647 ( -0.337 -3.440 0.165) 3.460 1.764 ( 2.084 1.633 3.085) 4.065 1.898 ( -3.957 0.188 -1.371) 4.192 2.027 ( 5.042 -2.584 1.897) 5.975 2.100 ( -0.952 -0.701 -1.887) 2.227 2.296 ( -2.111 -0.989 3.003) 3.801 2.493 ( -1.829 -1.892 -1.898) 3.244 2.614 ( -0.076 1.937 -0.489) 1.999 2.659 ( -2.228 4.308 4.438) 6.574 2.814 ( 3.820 -1.732 3.671) 5.574 3.042 ( 7.304 -0.828 -0.597) 7.375 3.288 ( -2.001 4.985 0.946) 5.454 3.458 ( 7.133 -1.662 0.560) 7.346 3.647 ( 1.619 4.276 -0.347) 4.585 3.689 ( 0.319 4.377 0.637) 4.435 3.972 ( 2.685 7.313 -0.563) 7.811 4.118 ( 1.421 -3.308 0.128) 3.603 5.174 ( -5.000 -4.486 -1.569) 6.899 5.506 ( -1.365 -2.157 -2.574) 3.625 5.743 ( 7.208 6.888 0.522) 9.983 6.075 ( 4.659 -1.243 -4.384) 6.517 6.167 ( 0.352 6.269 -4.995) 8.023 6.354 ( 1.042 1.457 -0.232) 1.806 6.490 ( -5.111 0.654 -3.259) 6.097 6.688 ( -4.154 -1.632 -0.661) 4.512 6.769 ( 1.888 2.440 0.062) 3.086 6.875 ( 3.313 -8.170 -2.873) 9.273 7.165 ( -2.981 -0.474 0.799) 3.123 7.490 ( -3.945 0.810 0.706) 4.088 7.757 ( 0.476 -2.430 1.701) 3.004 7.909 ( -3.493 -4.433 -0.144) 5.646 7.988 ( -1.240 1.790 4.533) 5.029 8.186 ( -2.566 -1.658 2.821) 4.158 8.440 ( -3.987 -0.339 2.245) 4.588 8.585 ( 2.054 -1.374 -2.325) 3.393 8.680 ( 1.944 -4.553 3.449) 6.034 8.883 ( 5.629 1.290 2.238) 6.193 8.956 ( 1.013 6.340 0.768) 6.466 9.302 ( -2.424 -0.600 -2.814) 3.763 9.384 ( -0.347 -0.593 -2.026) 2.139 ======================= Grid point 137 (63/105) ======================= q-point: (-0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.483 0.411 -0.332) 0.716 1.543 ( -0.607 -2.408 0.432) 2.521 1.607 ( -2.642 -1.831 0.343) 3.233 1.755 ( 4.389 -4.292 -1.088) 6.235 1.893 ( 2.250 -2.147 3.375) 4.589 2.002 ( -2.589 0.063 -4.195) 4.930 2.113 ( -0.232 -0.474 4.211) 4.244 2.326 ( -5.074 0.876 1.063) 5.258 2.467 ( -0.516 0.503 0.809) 1.084 2.634 ( 0.287 2.407 -0.690) 2.520 2.781 ( 0.489 0.761 5.782) 5.852 2.856 ( 0.385 0.683 4.817) 4.881 3.054 ( 5.976 1.758 2.005) 6.544 3.368 ( 4.924 3.011 2.220) 6.184 3.412 ( 4.890 -2.429 -1.395) 5.636 3.622 ( -4.080 -5.224 -1.606) 6.820 3.803 ( -0.519 9.687 1.113) 9.764 4.043 ( -0.235 -3.567 -2.421) 4.318 4.131 ( 6.802 12.449 -0.025) 14.186 5.056 ( -1.284 -8.525 -2.702) 9.035 5.441 ( -3.243 -0.877 -3.806) 5.077 5.787 ( 5.526 2.528 -4.002) 7.276 6.015 ( 4.662 0.972 -3.716) 6.041 6.186 ( -1.011 7.511 -5.992) 9.661 6.366 ( 2.140 0.985 -2.477) 3.419 6.434 ( -3.874 -0.299 -4.077) 5.632 6.599 ( -0.248 -4.819 -3.124) 5.748 6.755 ( 2.180 -3.905 -1.173) 4.624 6.845 ( 1.795 3.464 3.184) 5.035 7.161 ( -2.337 -0.247 -0.907) 2.519 7.503 ( -4.200 -3.333 3.405) 6.351 7.721 ( -5.400 -4.461 -0.578) 7.028 7.857 ( -0.227 -1.137 0.453) 1.245 8.104 ( -2.968 1.520 7.159) 7.897 8.214 ( -3.185 -0.096 2.678) 4.162 8.441 ( 0.615 -3.256 1.817) 3.779 8.551 ( 1.215 -2.536 1.776) 3.326 8.702 ( -1.389 2.023 1.151) 2.710 8.909 ( 10.057 -0.711 2.949) 10.504 9.071 ( -1.187 5.947 1.530) 6.254 9.247 ( -2.002 -1.268 -3.088) 3.892 9.347 ( -1.139 0.359 -2.741) 2.990 ======================= Grid point 138 (64/105) ======================= q-point: (-0.22 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 0.436 0.334 -0.251) 0.604 1.495 ( 1.715 -4.044 -0.371) 4.408 1.571 ( -2.188 -2.306 -3.660) 4.848 1.689 ( 1.536 -1.948 -0.260) 2.494 1.882 ( -0.991 -1.165 -3.247) 3.589 1.961 ( -0.782 -0.428 0.506) 1.025 2.164 ( -2.486 0.903 3.065) 4.048 2.349 ( -1.810 0.141 1.531) 2.374 2.522 ( -0.909 0.493 4.236) 4.361 2.659 ( -1.148 2.387 -0.583) 2.713 2.837 ( 2.777 -0.565 4.928) 5.685 2.953 ( 2.683 2.858 3.559) 5.295 3.115 ( 2.530 1.976 1.365) 3.488 3.359 ( 8.658 -3.463 2.416) 9.633 3.412 ( -3.595 -0.697 -5.013) 6.208 3.544 ( -1.795 -0.260 1.731) 2.507 3.902 ( -0.548 -0.109 -3.111) 3.160 3.975 ( -1.596 1.603 1.241) 2.580 4.292 ( 8.023 11.530 -1.838) 14.167 4.885 ( 0.727 -10.114 -2.580) 10.463 5.386 ( -4.686 0.488 -3.650) 5.960 5.739 ( 4.617 1.001 -5.114) 6.962 5.970 ( 5.203 -0.328 -5.105) 7.296 6.194 ( -3.389 4.155 -5.390) 7.602 6.293 ( 1.228 -0.165 -4.729) 4.889 6.379 ( -3.988 -2.454 -2.515) 5.315 6.578 ( 5.472 0.845 2.083) 5.916 6.713 ( 0.066 -0.951 0.283) 0.995 6.930 ( 1.335 2.742 2.389) 3.874 7.130 ( -1.052 0.177 -3.265) 3.435 7.479 ( -3.815 -7.357 4.137) 9.263 7.679 ( -10.320 -0.333 0.523) 10.339 7.880 ( 2.841 0.678 2.582) 3.899 8.180 ( -2.881 -0.775 2.762) 4.066 8.247 ( -3.521 0.137 1.737) 3.928 8.425 ( 2.326 -1.546 1.036) 2.979 8.555 ( 0.086 -1.090 2.316) 2.561 8.743 ( -2.837 2.332 -0.008) 3.672 8.951 ( 9.565 0.677 3.225) 10.117 9.137 ( 1.360 0.927 0.758) 1.812 9.196 ( -1.971 -0.478 -1.861) 2.753 9.333 ( -1.160 1.096 -0.688) 1.737 ======================= Grid point 139 (65/105) ======================= q-point: (-0.11 -0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.270 0.005 -0.206) 0.339 1.406 ( -1.420 -0.909 -7.180) 7.376 1.498 ( -1.871 -0.521 -2.752) 3.369 1.682 ( -0.760 -0.725 0.652) 1.237 1.815 ( -4.588 3.066 -7.023) 8.932 1.980 ( 0.393 -1.071 3.042) 3.249 2.230 ( -1.863 1.852 3.406) 4.301 2.371 ( 0.835 -1.298 2.997) 3.371 2.556 ( -1.927 -2.566 2.891) 4.319 2.680 ( -1.609 2.444 -1.153) 3.145 2.901 ( 4.150 0.825 1.898) 4.637 2.986 ( 5.305 0.407 -3.038) 6.126 3.122 ( -0.116 -2.436 0.808) 2.569 3.220 ( -6.879 -1.205 -11.178) 13.180 3.469 ( 7.450 3.422 8.702) 11.956 3.612 ( -0.674 1.267 2.562) 2.936 3.805 ( -0.554 -4.096 -2.193) 4.679 4.037 ( -2.562 1.609 0.840) 3.140 4.351 ( 8.992 -0.812 -1.680) 9.184 4.774 ( 0.423 0.185 -1.278) 1.359 5.358 ( -5.581 0.994 -2.263) 6.104 5.695 ( 3.934 0.594 -2.974) 4.968 5.876 ( 4.886 -2.295 -4.282) 6.890 6.181 ( -3.121 2.749 -2.255) 4.731 6.258 ( 0.451 1.084 -3.242) 3.448 6.315 ( -3.963 -3.584 -0.461) 5.363 6.570 ( -0.297 -1.510 -2.793) 3.189 6.752 ( 3.802 1.809 2.690) 4.996 6.977 ( 1.302 1.031 1.099) 1.991 7.107 ( 1.383 0.963 -0.151) 1.693 7.449 ( -4.801 -1.261 1.192) 5.106 7.708 ( -9.651 -0.865 4.280) 10.592 7.924 ( 2.522 0.347 1.601) 3.007 8.179 ( -0.390 0.967 -1.774) 2.057 8.259 ( -4.306 -1.100 1.583) 4.718 8.413 ( 0.443 -0.853 -0.868) 1.295 8.579 ( 1.667 1.668 -0.230) 2.369 8.761 ( -4.404 0.374 0.412) 4.440 9.005 ( 7.971 0.371 2.833) 8.467 9.110 ( 2.461 -2.557 -0.796) 3.637 9.208 ( 0.121 1.633 1.216) 2.039 9.346 ( -0.390 -0.187 0.924) 1.021 ======================= Grid point 143 (66/105) ======================= q-point: ( 0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.607 1.844 -0.000) 1.941 1.261 ( -14.376 9.581 -0.000) 17.275 1.409 ( -6.057 14.656 -0.000) 15.858 1.701 ( -0.676 0.711 -0.000) 0.981 1.818 ( -3.268 0.544 -0.000) 3.313 2.055 ( -1.351 1.351 -0.000) 1.911 2.260 ( 0.693 -0.825 0.000) 1.077 2.370 ( 1.639 -2.684 0.000) 3.145 2.451 ( -1.595 3.001 -0.000) 3.398 2.595 ( 3.694 -0.821 0.000) 3.784 2.638 ( -1.233 -0.170 -0.000) 1.245 2.757 ( -5.005 9.208 -0.000) 10.481 3.031 ( 2.506 2.232 0.000) 3.356 3.148 ( 5.872 -5.119 0.000) 7.790 3.520 ( 3.341 -1.577 0.000) 3.694 3.600 ( 3.752 0.170 0.000) 3.756 3.752 ( 3.287 -2.756 0.000) 4.289 4.045 ( 4.879 -4.950 0.000) 6.951 4.157 ( 2.227 1.983 0.000) 2.982 5.080 ( -13.613 0.161 -0.000) 13.614 5.575 ( 6.254 10.695 0.000) 12.390 5.605 ( 0.563 -1.696 0.000) 1.787 6.087 ( 2.489 1.776 0.000) 3.058 6.255 ( 5.244 -0.409 0.000) 5.260 6.286 ( -1.931 3.095 -0.000) 3.648 6.520 ( -0.982 -7.352 -0.000) 7.417 6.557 ( -6.514 4.727 -0.000) 8.048 6.712 ( -2.829 4.276 -0.000) 5.127 7.043 ( 2.726 -1.370 0.000) 3.051 7.170 ( -1.010 -2.539 -0.000) 2.733 7.385 ( -5.395 1.370 -0.000) 5.567 7.803 ( -4.215 -1.933 -0.000) 4.637 7.897 ( 3.583 2.101 0.000) 4.153 8.041 ( -1.921 -3.545 -0.000) 4.032 8.211 ( 4.559 0.893 0.000) 4.646 8.330 ( -2.457 -1.304 -0.000) 2.782 8.513 ( -5.991 12.270 -0.000) 13.654 8.656 ( -1.027 -3.342 -0.000) 3.496 8.948 ( 5.441 -7.694 0.000) 9.423 9.051 ( 4.494 -1.286 0.000) 4.674 9.313 ( -2.057 -1.659 -0.000) 2.643 9.439 ( 1.407 -1.033 0.000) 1.745 ======================= Grid point 144 (67/105) ======================= q-point: ( 0.44 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.185 0.946 0.117) 0.971 1.386 ( -9.692 6.680 1.337) 11.847 1.617 ( -3.015 10.163 3.186) 11.069 1.703 ( -1.440 0.666 0.451) 1.650 1.815 ( -4.176 0.577 -1.686) 4.540 2.073 ( -0.270 -0.402 2.210) 2.263 2.208 ( 4.874 -5.553 0.295) 7.395 2.316 ( -0.402 -3.553 -0.757) 3.655 2.485 ( -3.173 -1.300 -0.043) 3.429 2.591 ( 2.103 0.870 3.234) 3.955 2.647 ( 2.361 -0.523 2.288) 3.329 2.889 ( 1.675 2.215 2.500) 3.736 3.097 ( -0.315 6.245 -1.388) 6.405 3.131 ( 0.398 4.633 1.605) 4.920 3.500 ( 1.294 0.024 0.172) 1.306 3.594 ( -0.375 -1.312 0.480) 1.447 3.759 ( 7.032 1.886 -0.253) 7.285 3.991 ( 6.753 -0.191 -1.415) 6.903 4.173 ( 2.523 -0.808 0.764) 2.757 5.078 ( -11.507 0.501 -1.370) 11.599 5.550 ( 0.794 -3.503 -1.900) 4.063 5.716 ( 4.986 9.091 -0.313) 10.373 6.071 ( 1.504 3.872 -7.320) 8.417 6.221 ( 7.648 -0.936 -3.397) 8.421 6.322 ( -2.122 2.208 -0.547) 3.111 6.435 ( -1.903 -2.101 -1.396) 3.159 6.622 ( -5.717 1.380 1.141) 5.991 6.737 ( -2.153 3.363 -2.492) 4.707 7.000 ( 3.604 -3.394 -2.102) 5.378 7.147 ( -1.690 -2.030 1.422) 3.000 7.405 ( -5.575 0.786 0.856) 5.694 7.795 ( -1.575 -2.456 2.740) 4.003 7.923 ( -0.372 -1.163 0.254) 1.247 7.999 ( 1.114 -3.057 2.881) 4.346 8.204 ( 0.737 -3.119 2.429) 4.022 8.360 ( -3.075 2.962 1.950) 4.694 8.593 ( -2.181 -0.398 -1.063) 2.458 8.729 ( -2.865 9.883 3.551) 10.886 8.843 ( 3.456 -8.531 1.884) 9.395 9.041 ( 6.198 -0.494 0.242) 6.223 9.273 ( -1.993 -0.428 -3.380) 3.947 9.407 ( 0.813 -1.818 -1.636) 2.578 ======================= Grid point 145 (68/105) ======================= q-point: ( 0.56 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.399 0.558 -0.168) 0.707 1.469 ( -5.519 3.479 0.867) 6.582 1.643 ( -0.670 -3.335 -0.137) 3.404 1.769 ( -4.162 0.317 -2.493) 4.861 1.847 ( -2.384 6.658 2.739) 7.584 2.069 ( 2.737 -4.888 0.417) 5.617 2.163 ( 2.487 -4.219 3.284) 5.897 2.262 ( -3.509 -0.408 -1.541) 3.854 2.457 ( 0.435 0.061 -0.122) 0.456 2.640 ( 2.442 -0.237 1.390) 2.819 2.737 ( -0.905 2.577 8.869) 9.281 2.907 ( 2.438 -3.295 3.683) 5.511 3.111 ( 6.312 3.785 -3.288) 8.061 3.280 ( -3.306 6.432 3.643) 8.098 3.510 ( -0.405 -1.698 -0.342) 1.779 3.610 ( -3.602 3.808 0.975) 5.332 3.741 ( 4.538 -2.276 -1.163) 5.208 4.026 ( 6.589 6.883 -2.581) 9.872 4.164 ( 5.853 0.404 0.190) 5.870 5.049 ( -8.774 -0.814 -2.749) 9.230 5.460 ( -0.296 -4.951 -2.829) 5.710 5.796 ( 3.556 6.004 -3.773) 7.933 6.016 ( 0.952 4.778 -8.868) 10.118 6.167 ( 6.866 0.039 -2.728) 7.389 6.337 ( -3.092 2.010 -1.549) 4.000 6.402 ( -0.070 -0.073 -2.734) 2.736 6.600 ( -4.401 -1.339 -2.684) 5.326 6.779 ( -0.993 3.245 0.507) 3.432 6.914 ( 5.949 -4.083 -0.963) 7.279 7.140 ( -1.557 -0.605 -0.236) 1.687 7.434 ( -6.842 -0.412 3.193) 7.562 7.763 ( -3.236 -8.266 0.010) 8.877 7.875 ( -0.404 -1.118 0.701) 1.379 8.065 ( 1.147 0.791 6.222) 6.376 8.205 ( -1.517 -2.720 3.316) 4.549 8.429 ( -3.592 0.796 3.416) 5.020 8.583 ( 0.623 0.550 -0.021) 0.831 8.738 ( 2.060 -6.044 0.678) 6.421 8.933 ( -2.181 8.317 4.243) 9.589 9.046 ( 7.041 0.488 0.739) 7.096 9.222 ( -1.596 0.620 -3.865) 4.228 9.354 ( 0.113 -2.082 -1.994) 2.884 ======================= Grid point 146 (69/105) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.435 0.399 -0.368) 0.696 1.498 ( -3.061 0.689 -1.741) 3.588 1.582 ( -2.013 -3.834 -1.736) 4.665 1.716 ( -3.110 -0.571 -3.737) 4.895 1.877 ( -0.648 -3.515 -3.692) 5.139 2.014 ( 0.217 -2.863 1.094) 3.073 2.131 ( -1.207 -1.943 1.843) 2.937 2.316 ( 0.003 2.644 4.411) 5.143 2.494 ( 0.706 3.138 1.632) 3.606 2.644 ( 0.007 -2.153 1.591) 2.677 2.877 ( 1.816 1.439 5.573) 6.036 2.944 ( 1.611 0.704 5.910) 6.166 3.130 ( 5.108 4.238 -2.257) 7.011 3.326 ( -5.528 -0.873 -5.191) 7.633 3.512 ( 2.107 0.874 4.869) 5.377 3.579 ( 3.221 -5.320 -2.770) 6.808 3.784 ( -4.099 6.329 1.141) 7.626 4.009 ( 0.669 -3.064 -1.992) 3.715 4.256 ( 11.551 12.182 -1.195) 16.830 4.978 ( -4.738 -4.258 -2.921) 7.008 5.351 ( -2.826 -4.503 -3.214) 6.213 5.781 ( 4.194 2.515 -5.890) 7.656 5.986 ( 0.706 5.627 -5.975) 8.238 6.137 ( 2.561 -0.346 -2.824) 3.828 6.321 ( -1.548 -1.173 -5.138) 5.493 6.333 ( -2.051 0.120 -3.016) 3.649 6.593 ( 0.081 2.118 0.381) 2.154 6.761 ( 2.746 -1.315 -2.268) 3.797 6.932 ( 3.013 1.138 4.217) 5.306 7.120 ( -0.424 -0.420 -1.484) 1.600 7.482 ( -8.556 -2.357 6.164) 10.806 7.609 ( -5.412 -8.962 -2.496) 10.762 7.909 ( 2.198 0.929 3.009) 3.840 8.140 ( -1.439 0.011 2.713) 3.071 8.216 ( -2.208 -1.391 2.662) 3.728 8.458 ( -2.888 -1.991 2.346) 4.220 8.599 ( 3.425 -0.579 1.305) 3.711 8.692 ( -0.651 -0.072 -0.743) 0.990 9.044 ( 3.722 1.720 0.958) 4.210 9.094 ( 1.856 4.823 1.566) 5.400 9.201 ( 0.299 0.442 -0.059) 0.537 9.311 ( -0.680 -0.930 -0.600) 1.299 ======================= Grid point 147 (70/105) ======================= q-point: (-0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.439 0.462 -0.310) 0.709 1.410 ( -2.555 -3.296 -9.275) 10.170 1.472 ( -5.606 -3.103 -7.411) 9.797 1.686 ( -1.018 0.993 -0.897) 1.682 1.761 ( -0.649 -3.514 -3.384) 4.921 1.984 ( -3.779 -2.281 0.692) 4.468 2.190 ( 0.967 1.947 4.619) 5.105 2.389 ( 0.245 -0.034 2.911) 2.922 2.554 ( -0.307 1.305 1.490) 2.004 2.631 ( -2.468 -1.290 0.595) 2.848 2.944 ( 4.526 1.416 -0.358) 4.756 3.023 ( 2.974 2.773 0.424) 4.088 3.142 ( 0.677 2.002 -5.074) 5.497 3.172 ( -4.747 -4.079 -6.272) 8.860 3.523 ( 4.516 0.154 2.642) 5.235 3.613 ( 2.676 0.876 5.536) 6.210 3.823 ( -4.258 -1.327 -1.277) 4.639 3.978 ( -1.649 0.096 1.784) 2.431 4.405 ( 11.624 11.871 -1.989) 16.734 4.857 ( -0.533 -8.109 -1.949) 8.357 5.267 ( -6.759 -1.749 -2.622) 7.458 5.738 ( 4.335 1.654 -4.140) 6.218 5.974 ( 4.528 0.181 -3.889) 5.971 6.081 ( -3.266 1.690 -3.667) 5.193 6.254 ( 0.515 0.511 -2.812) 2.904 6.307 ( -3.093 -1.334 -0.680) 3.437 6.560 ( -3.297 -1.392 -6.475) 7.398 6.797 ( 6.845 3.702 4.185) 8.836 6.994 ( 2.174 0.135 3.188) 3.861 7.106 ( 1.024 0.614 -0.009) 1.194 7.431 ( -5.929 -6.239 -2.409) 8.938 7.587 ( -10.227 -2.465 8.745) 13.680 7.962 ( 3.526 1.034 1.889) 4.132 8.135 ( -2.622 0.471 -2.469) 3.632 8.222 ( -3.176 -1.404 0.130) 3.475 8.450 ( -0.627 -2.475 0.905) 2.709 8.598 ( 2.712 -0.697 0.688) 2.884 8.705 ( -1.039 2.532 -0.993) 2.911 9.070 ( 4.075 1.593 0.699) 4.431 9.157 ( -1.336 1.392 0.252) 1.946 9.215 ( 5.275 -0.970 2.886) 6.091 9.328 ( -0.992 1.444 2.001) 2.659 ======================= Grid point 148 (71/105) ======================= q-point: (-0.11 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.569 -0.223 -0.837) 1.036 1.205 ( -4.789 0.033 -14.257) 15.040 1.327 ( -10.129 0.420 -11.104) 15.036 1.691 ( 0.212 -1.745 0.899) 1.974 1.714 ( -0.562 2.291 -1.954) 3.063 1.985 ( -3.507 -0.655 2.120) 4.150 2.246 ( -5.565 0.709 -2.376) 6.092 2.392 ( 0.642 -0.690 0.029) 0.943 2.570 ( -0.159 -0.307 1.036) 1.092 2.630 ( -3.432 0.870 -0.852) 3.641 2.800 ( -0.115 -0.645 -14.707) 14.722 3.005 ( 4.254 -0.533 -7.985) 9.063 3.098 ( 4.113 0.242 2.880) 5.027 3.183 ( 0.663 -0.134 4.782) 4.830 3.597 ( -1.905 0.131 1.512) 2.436 3.675 ( 5.259 2.114 4.089) 6.989 3.787 ( -0.071 -1.778 1.258) 2.180 4.008 ( -4.191 -0.273 1.370) 4.418 4.478 ( 12.017 -0.549 -1.223) 12.092 4.764 ( -0.066 0.627 -0.609) 0.877 5.230 ( -9.685 0.166 -1.718) 9.837 5.709 ( 3.105 0.296 -2.739) 4.151 5.917 ( 5.764 -1.631 -0.196) 5.994 6.103 ( -4.976 3.001 0.097) 5.812 6.239 ( 0.658 0.696 -1.043) 1.416 6.277 ( -1.923 -2.923 0.473) 3.530 6.444 ( -5.236 -0.380 -6.836) 8.619 6.890 ( 7.946 0.326 3.927) 8.870 7.024 ( 2.566 -0.507 1.955) 3.266 7.147 ( 1.081 2.808 2.147) 3.696 7.347 ( -7.313 -0.513 -2.851) 7.866 7.688 ( -8.231 -1.326 9.930) 12.966 7.950 ( 3.185 -1.290 -3.694) 5.045 8.131 ( -3.198 3.850 -2.226) 5.478 8.180 ( -5.359 -1.974 -2.772) 6.348 8.424 ( 3.017 -1.251 -0.055) 3.267 8.592 ( 1.963 0.962 -2.837) 3.581 8.730 ( -1.995 0.319 2.194) 2.982 9.110 ( 3.514 0.512 1.795) 3.979 9.138 ( 1.941 -2.435 0.544) 3.161 9.265 ( 3.355 2.088 2.105) 4.478 9.369 ( 0.568 -0.651 2.371) 2.523 ======================= Grid point 151 (72/105) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -4.202 10.884 -0.000) 11.667 0.907 ( -11.412 14.087 -0.000) 18.130 1.143 ( -3.717 10.752 -0.000) 11.376 1.659 ( -1.894 7.466 -0.000) 7.703 1.765 ( -2.818 1.938 -0.000) 3.420 1.884 ( -4.740 18.843 -0.000) 19.430 2.142 ( -1.341 4.948 -0.000) 5.127 2.414 ( 0.156 -1.844 0.000) 1.851 2.470 ( 2.219 -2.715 0.000) 3.507 2.570 ( -3.769 -1.448 -0.000) 4.038 2.638 ( 3.337 2.377 0.000) 4.097 2.736 ( 1.323 -3.403 0.000) 3.652 3.095 ( 4.681 -3.108 0.000) 5.619 3.300 ( -0.102 -8.553 0.000) 8.554 3.538 ( -1.101 -0.529 -0.000) 1.222 3.660 ( 6.363 3.293 0.000) 7.165 3.832 ( -1.186 -7.861 -0.000) 7.950 4.103 ( -2.046 1.423 -0.000) 2.492 4.258 ( 12.316 -4.191 0.000) 13.010 4.883 ( -13.487 0.548 -0.000) 13.498 5.490 ( 3.901 12.032 0.000) 12.649 5.618 ( -0.312 0.557 -0.000) 0.639 6.120 ( 1.901 -1.111 0.000) 2.202 6.222 ( -1.354 2.476 -0.000) 2.822 6.282 ( -0.264 1.932 -0.000) 1.950 6.420 ( -0.371 4.252 -0.000) 4.268 6.591 ( -5.198 4.191 -0.000) 6.677 6.688 ( 6.122 -9.332 0.000) 11.161 7.100 ( 2.710 -0.318 0.000) 2.729 7.181 ( -1.205 -1.229 -0.000) 1.721 7.301 ( -4.104 0.697 -0.000) 4.163 7.738 ( -4.243 1.339 -0.000) 4.449 7.888 ( 1.744 4.979 0.000) 5.276 8.057 ( 0.308 2.108 0.000) 2.131 8.204 ( 0.420 6.504 0.000) 6.518 8.325 ( -2.460 0.210 -0.000) 2.469 8.400 ( 0.703 -6.298 0.000) 6.337 8.676 ( -2.069 -2.555 -0.000) 3.288 9.091 ( 1.985 -4.919 0.000) 5.305 9.114 ( 2.170 -2.593 0.000) 3.381 9.321 ( -0.082 -1.623 -0.000) 1.625 9.465 ( 0.767 -0.437 0.000) 0.883 ======================= Grid point 152 (73/105) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.048 2.487 0.748) 2.597 1.123 ( -7.938 12.830 3.474) 15.482 1.371 ( -3.824 15.915 4.665) 17.020 1.690 ( -0.284 0.612 -0.604) 0.906 1.775 ( -2.190 0.067 -0.752) 2.316 2.050 ( -1.837 1.928 2.791) 3.858 2.280 ( -0.116 3.748 3.653) 5.235 2.369 ( -0.561 -4.037 -2.331) 4.696 2.448 ( -0.292 1.602 1.482) 2.202 2.615 ( -0.296 4.015 1.958) 4.477 2.681 ( 2.177 2.519 1.822) 3.796 2.725 ( -1.290 2.915 2.732) 4.198 3.069 ( 3.332 0.906 -1.542) 3.781 3.188 ( 0.290 -6.270 -0.306) 6.284 3.525 ( -1.284 -2.075 0.562) 2.503 3.657 ( 3.902 -4.528 -0.249) 5.982 3.785 ( 1.571 2.253 -0.412) 2.778 4.086 ( 0.452 -2.273 -0.505) 2.372 4.241 ( 9.282 0.145 0.249) 9.287 4.894 ( -11.707 1.545 -0.834) 11.838 5.582 ( 0.441 2.201 -3.605) 4.247 5.650 ( 2.413 6.396 0.551) 6.858 6.060 ( 1.031 1.055 -7.502) 7.646 6.252 ( -1.091 1.974 -0.013) 2.256 6.301 ( 4.111 3.095 -3.523) 6.236 6.460 ( -0.821 3.274 -1.518) 3.701 6.570 ( -1.597 -4.064 -0.642) 4.413 6.642 ( -1.159 1.134 -0.149) 1.628 7.074 ( 1.229 -2.000 -1.536) 2.805 7.163 ( 0.179 -1.786 0.589) 1.889 7.332 ( -3.481 0.867 2.547) 4.400 7.775 ( -2.608 0.422 2.941) 3.953 7.932 ( 0.972 1.116 -0.844) 1.704 8.059 ( 0.906 -3.201 3.994) 5.198 8.279 ( 3.936 -0.454 -0.094) 3.964 8.312 ( -0.930 -0.867 1.331) 1.841 8.440 ( -5.180 10.540 1.392) 11.826 8.669 ( -2.403 -3.442 5.478) 6.902 8.992 ( 0.573 -8.236 -0.240) 8.260 9.100 ( 2.810 0.058 -0.494) 2.854 9.276 ( 0.530 -1.595 -2.785) 3.253 9.441 ( 0.678 -1.251 -1.855) 2.337 ======================= Grid point 153 (74/105) ======================= q-point: ( 0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.293 0.774 0.137) 0.839 1.318 ( -4.164 8.507 3.330) 10.040 1.624 ( -2.897 8.925 2.446) 9.697 1.680 ( -1.212 0.584 -0.709) 1.521 1.760 ( -1.473 0.807 0.690) 1.815 2.106 ( -0.940 0.615 2.786) 3.004 2.231 ( -3.480 -5.976 -3.248) 7.641 2.305 ( 4.479 -4.674 1.747) 6.705 2.479 ( 0.568 -1.273 1.289) 1.899 2.675 ( 2.792 0.998 3.044) 4.250 2.726 ( 0.802 -0.425 5.059) 5.139 2.918 ( -3.349 6.463 4.983) 8.821 3.092 ( 2.174 5.717 -1.164) 6.226 3.155 ( -0.757 3.068 1.268) 3.404 3.507 ( -0.264 -1.795 0.374) 1.853 3.585 ( -1.187 -4.346 0.189) 4.509 3.812 ( 3.715 2.026 -1.962) 4.664 4.061 ( 3.240 0.275 -0.718) 3.331 4.244 ( 8.017 1.162 -1.018) 8.165 4.896 ( -10.723 1.452 -1.986) 11.001 5.520 ( -0.382 -3.231 -3.441) 4.736 5.731 ( 1.252 7.046 -3.341) 7.898 5.976 ( 1.584 3.535 -8.993) 9.791 6.260 ( 2.426 1.357 -3.007) 4.095 6.285 ( 3.374 2.166 -2.757) 4.866 6.442 ( 2.259 -3.923 -0.503) 4.555 6.530 ( -5.442 1.262 -2.515) 6.126 6.690 ( -2.726 4.228 2.126) 5.461 7.017 ( 0.915 -2.523 -1.923) 3.302 7.141 ( 1.106 -0.746 -1.400) 1.934 7.378 ( -2.807 -1.410 4.568) 5.544 7.812 ( -2.179 -2.928 3.451) 5.023 7.880 ( -1.572 -3.305 -2.219) 4.280 8.103 ( 2.388 -0.977 6.060) 6.586 8.243 ( 0.798 -3.419 1.294) 3.742 8.368 ( -0.326 2.824 2.296) 3.654 8.560 ( -3.015 2.310 1.790) 4.199 8.761 ( -1.215 5.796 4.766) 7.602 8.881 ( -0.484 -6.931 0.647) 6.978 9.098 ( 2.458 1.092 -1.058) 2.890 9.219 ( 1.290 -0.925 -2.576) 3.026 9.388 ( 0.399 -1.925 -2.386) 3.092 ======================= Grid point 154 (75/105) ======================= q-point: (-0.44 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.323 0.377 -0.227) 0.546 1.433 ( -1.589 3.758 0.918) 4.182 1.592 ( -3.450 -2.763 -4.749) 6.488 1.684 ( -1.226 -0.323 -1.322) 1.832 1.873 ( -0.515 3.828 2.826) 4.786 2.026 ( -4.251 -5.196 -5.937) 8.962 2.193 ( 0.158 -3.885 3.516) 5.242 2.297 ( 2.484 0.674 3.822) 4.608 2.487 ( 2.142 0.128 1.700) 2.737 2.691 ( 0.966 -2.352 1.303) 2.857 2.840 ( -0.526 3.269 7.201) 7.925 2.981 ( 1.264 -0.363 3.122) 3.388 3.119 ( 2.860 4.965 -4.424) 7.239 3.287 ( -1.075 1.407 0.786) 1.937 3.466 ( -4.596 1.491 0.486) 4.856 3.594 ( -1.837 0.655 2.475) 3.151 3.775 ( 4.478 -1.547 -2.479) 5.347 4.051 ( 0.883 -1.329 -1.138) 1.960 4.278 ( 10.914 7.793 -1.757) 13.525 4.882 ( -9.620 0.898 -2.427) 9.962 5.412 ( -0.810 -5.825 -3.299) 6.743 5.755 ( 0.448 5.571 -5.203) 7.636 5.922 ( 1.989 4.810 -7.225) 8.904 6.222 ( 3.803 -1.801 -2.356) 4.822 6.273 ( -0.424 0.351 -1.609) 1.701 6.354 ( -0.554 -2.314 -5.517) 6.008 6.555 ( -0.222 2.656 1.473) 3.045 6.762 ( -1.865 2.058 0.063) 2.778 6.974 ( 1.912 -0.762 0.349) 2.087 7.118 ( 0.332 0.742 -1.394) 1.614 7.415 ( -4.363 -3.387 5.648) 7.900 7.703 ( -2.147 -10.534 -1.400) 10.841 7.899 ( -0.406 1.972 2.681) 3.352 8.167 ( 1.915 -1.388 4.664) 5.230 8.218 ( -0.821 -2.836 1.267) 3.213 8.423 ( -1.815 1.139 0.992) 2.361 8.595 ( -1.492 1.074 1.742) 2.533 8.757 ( 1.276 -5.290 -0.814) 5.503 8.965 ( -0.709 8.223 3.567) 8.991 9.101 ( 1.759 1.825 -1.387) 2.890 9.196 ( 1.211 0.390 0.302) 1.308 9.337 ( 0.448 -1.999 -0.777) 2.191 ======================= Grid point 155 (76/105) ======================= q-point: (-0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 0.463 0.446 -0.401) 0.758 1.400 ( -3.290 -2.030 -8.576) 9.407 1.470 ( -2.949 -4.716 -7.206) 9.103 1.665 ( 0.262 0.136 -0.305) 0.424 1.807 ( -3.092 -4.308 -4.613) 7.029 1.967 ( -2.051 -2.376 0.623) 3.200 2.211 ( 1.980 -0.968 4.542) 5.048 2.376 ( -0.270 1.282 3.216) 3.472 2.526 ( 1.196 1.899 1.796) 2.874 2.656 ( -1.082 -4.371 0.631) 4.547 2.956 ( 1.096 3.420 -0.719) 3.663 3.032 ( 3.957 2.441 0.241) 4.656 3.097 ( -0.564 2.714 -8.024) 8.490 3.173 ( -2.177 -2.899 -2.683) 4.510 3.581 ( -0.698 -1.253 1.825) 2.321 3.613 ( 1.583 3.966 4.456) 6.172 3.761 ( -1.159 0.071 1.637) 2.007 4.002 ( -0.052 -3.471 -0.204) 3.477 4.397 ( 11.588 12.177 -1.809) 16.907 4.857 ( -7.786 -0.479 -1.714) 7.987 5.278 ( -1.924 -7.771 -2.855) 8.499 5.750 ( 1.719 3.607 -4.608) 6.099 5.924 ( 0.709 6.170 -3.496) 7.127 6.136 ( 1.390 -5.634 -2.596) 6.357 6.253 ( -0.051 -0.223 -1.885) 1.899 6.280 ( -0.684 0.640 -2.488) 2.658 6.546 ( -1.506 -2.022 -5.731) 6.261 6.807 ( 3.211 4.931 3.089) 6.646 7.005 ( 0.666 1.685 1.898) 2.624 7.128 ( 0.912 -0.102 1.785) 2.007 7.412 ( -6.742 -5.032 -0.040) 8.413 7.578 ( -2.373 -9.256 6.275) 11.432 7.960 ( 0.850 3.167 0.672) 3.348 8.154 ( 1.739 -3.343 -0.805) 3.853 8.208 ( -2.546 -2.339 0.555) 3.502 8.433 ( -2.426 0.401 0.155) 2.464 8.641 ( -2.268 1.582 0.053) 2.766 8.687 ( 3.988 -1.941 -0.389) 4.452 9.078 ( 2.200 4.208 0.041) 4.748 9.118 ( -0.043 1.769 0.899) 1.985 9.249 ( -0.158 2.919 3.340) 4.439 9.319 ( 1.483 -1.209 1.468) 2.412 ======================= Grid point 156 (77/105) ======================= q-point: (-0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.810 1.026 -1.254) 1.811 1.204 ( -5.243 -3.823 -13.615) 15.082 1.225 ( -5.112 -6.943 -15.052) 17.346 1.680 ( 1.139 1.571 -0.002) 1.940 1.735 ( -1.130 -1.909 -0.771) 2.348 1.948 ( -3.115 -2.628 2.423) 4.741 2.189 ( -3.200 -3.508 -9.067) 10.235 2.411 ( 0.393 0.838 1.773) 2.000 2.562 ( 0.771 0.177 0.269) 0.836 2.607 ( -2.777 -2.555 0.213) 3.779 2.806 ( 0.724 1.012 -13.050) 13.109 3.036 ( 2.122 2.489 -9.368) 9.923 3.119 ( 4.277 3.943 4.736) 7.502 3.202 ( -1.090 -0.880 5.669) 5.839 3.570 ( 0.489 0.207 0.185) 0.562 3.717 ( 3.069 1.521 2.946) 4.518 3.798 ( -2.102 -0.472 4.232) 4.749 3.965 ( -2.623 -2.571 0.595) 3.721 4.540 ( 11.367 11.858 -1.695) 16.514 4.816 ( -3.393 -3.951 -0.492) 5.231 5.135 ( -6.452 -6.514 -3.027) 9.656 5.733 ( 2.111 1.863 -3.676) 4.630 5.982 ( 0.424 4.659 0.176) 4.682 6.040 ( 1.231 -3.849 -0.111) 4.043 6.236 ( 0.800 0.692 -0.882) 1.377 6.274 ( -1.377 0.271 -0.056) 1.404 6.404 ( -4.118 -4.008 -6.863) 8.951 6.944 ( 6.479 6.730 3.553) 9.995 7.059 ( 1.276 1.987 2.172) 3.208 7.146 ( 1.259 -2.071 2.981) 3.842 7.297 ( -5.837 -4.956 -3.801) 8.549 7.619 ( -5.890 -4.888 11.480) 13.798 7.993 ( 0.723 3.238 -2.656) 4.250 8.071 ( 1.501 -2.519 -5.271) 6.032 8.156 ( -3.844 -2.633 -2.431) 5.255 8.453 ( -0.792 0.250 1.879) 2.054 8.602 ( 0.025 -1.046 -2.620) 2.821 8.718 ( 2.137 2.089 1.060) 3.171 9.120 ( 2.411 2.175 1.149) 3.444 9.159 ( -0.930 0.472 2.031) 2.283 9.301 ( 1.607 -0.053 1.304) 2.070 9.365 ( 1.343 2.150 3.568) 4.377 ======================= Grid point 157 (78/105) ======================= q-point: (-0.11 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -3.396 -2.534 -17.537) 18.042 0.933 ( -5.998 2.975 -15.215) 16.623 1.044 ( -5.544 -0.220 -3.575) 6.601 1.684 ( 0.960 0.500 -5.181) 5.293 1.711 ( 0.265 -0.569 0.236) 0.671 1.856 ( -13.312 -0.141 -22.289) 25.962 1.998 ( -1.167 0.035 1.000) 1.537 2.450 ( 2.575 -0.072 1.954) 3.233 2.566 ( -0.062 1.199 -0.525) 1.310 2.583 ( -2.290 -1.115 -0.354) 2.571 2.723 ( 2.424 0.010 -2.961) 3.827 2.929 ( 1.716 -0.030 -7.731) 7.919 3.216 ( 5.087 0.247 3.497) 6.178 3.256 ( 0.100 -0.232 4.231) 4.238 3.574 ( -2.319 -0.254 0.441) 2.374 3.762 ( 5.585 0.294 -0.484) 5.614 3.837 ( 0.437 0.324 3.626) 3.667 3.949 ( -6.564 -0.479 0.405) 6.594 4.632 ( 12.355 -0.743 -0.976) 12.416 4.755 ( -0.409 1.162 -0.275) 1.262 5.048 ( -12.397 -0.376 -2.654) 12.683 5.691 ( 0.997 0.016 -4.330) 4.444 6.016 ( 4.610 -0.697 3.604) 5.893 6.072 ( -2.927 1.106 3.542) 4.726 6.236 ( -0.208 0.168 -0.932) 0.969 6.275 ( -0.117 -1.218 1.456) 1.902 6.311 ( -4.028 0.513 -1.505) 4.331 7.044 ( 7.886 0.110 2.237) 8.198 7.094 ( 2.996 -0.914 2.211) 3.834 7.163 ( -1.838 1.917 -0.694) 2.745 7.230 ( -4.892 -0.592 0.898) 5.009 7.718 ( -5.545 -0.247 7.677) 9.473 7.924 ( 4.020 -1.478 -7.425) 8.571 7.994 ( -4.609 1.856 -8.157) 9.551 8.110 ( -3.603 -0.379 1.276) 3.841 8.470 ( 2.053 -0.197 -0.446) 2.110 8.570 ( 0.861 0.018 -0.890) 1.239 8.754 ( 0.188 0.216 2.280) 2.298 9.169 ( 1.716 0.223 2.062) 2.692 9.178 ( 0.771 -0.656 2.201) 2.423 9.309 ( 1.811 0.425 -0.879) 2.057 9.426 ( 1.935 -0.122 2.956) 3.535 ======================= Grid point 166 (79/105) ======================= q-point: (-0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -0.000 -0.000 -21.588) 21.588 0.597 ( -0.000 -0.000 -21.588) 21.588 0.996 ( -0.000 -0.000 -6.629) 6.629 1.270 ( -0.000 -0.000 -34.034) 34.034 1.715 ( 0.000 0.000 0.130) 0.130 1.715 ( 0.000 0.000 0.130) 0.130 2.038 ( 0.000 0.000 4.230) 4.230 2.478 ( -0.000 -0.000 -0.355) 0.355 2.563 ( -0.000 -0.000 -0.146) 0.146 2.563 ( -0.000 -0.000 -0.146) 0.146 2.688 ( -0.000 -0.000 -5.157) 5.157 2.886 ( -0.000 -0.000 -0.752) 0.752 3.296 ( 0.000 0.000 2.247) 2.247 3.296 ( 0.000 0.000 2.247) 2.247 3.572 ( 0.000 0.000 2.157) 2.157 3.817 ( -0.000 -0.000 -3.838) 3.838 3.866 ( 0.000 0.000 1.060) 1.060 3.866 ( 0.000 0.000 1.060) 1.060 4.747 ( -0.000 -0.000 -0.371) 0.371 4.747 ( -0.000 -0.000 -0.371) 0.371 4.874 ( -0.000 -0.000 -3.549) 3.549 5.629 ( -0.000 -0.000 -4.878) 4.878 6.107 ( 0.000 0.000 3.807) 3.807 6.107 ( 0.000 0.000 3.807) 3.807 6.206 ( -0.000 -0.000 -0.827) 0.827 6.313 ( 0.000 0.000 4.075) 4.075 6.313 ( 0.000 0.000 4.075) 4.075 7.079 ( -0.000 -0.000 -3.177) 3.177 7.154 ( 0.000 0.000 1.508) 1.508 7.154 ( 0.000 0.000 1.508) 1.508 7.247 ( 0.000 0.000 5.301) 5.301 7.742 ( 0.000 0.000 1.696) 1.696 7.836 ( -0.000 -0.000 -9.154) 9.154 7.836 ( -0.000 -0.000 -9.154) 9.154 8.131 ( 0.000 0.000 5.200) 5.200 8.441 ( -0.000 -0.000 -4.218) 4.218 8.607 ( 0.000 0.000 2.742) 2.742 8.795 ( 0.000 0.000 4.201) 4.201 9.210 ( 0.000 0.000 1.902) 1.902 9.210 ( 0.000 0.000 1.902) 1.902 9.298 ( -0.000 -0.000 -2.992) 2.992 9.478 ( 0.000 0.000 2.166) 2.166 ======================= Grid point 187 (80/105) ======================= q-point: ( 0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.017 0.001 0.022) 0.028 1.672 ( 3.002 3.484 0.434) 4.619 1.695 ( 0.372 0.564 -0.117) 0.686 1.846 ( 6.876 5.512 2.857) 9.264 1.971 ( -2.111 1.508 0.419) 2.628 2.079 ( 3.467 0.594 1.301) 3.751 2.187 ( -2.730 -3.673 3.167) 5.566 2.287 ( -3.261 -2.189 -1.583) 4.235 2.396 ( -0.566 0.310 -5.039) 5.080 2.485 ( -2.554 -3.033 -0.290) 3.976 2.686 ( -2.000 -2.333 0.147) 3.076 3.029 ( 1.783 0.323 2.602) 3.171 3.131 ( -0.103 2.683 0.699) 2.774 3.245 ( -1.792 -3.969 1.041) 4.477 3.501 ( 5.131 4.780 6.192) 9.354 3.579 ( -2.150 -1.722 0.200) 2.762 3.835 ( 0.227 -1.882 4.343) 4.739 3.915 ( -1.669 4.666 -5.124) 7.128 4.019 ( -1.224 -4.885 -2.367) 5.565 5.211 ( 3.395 3.524 -1.617) 5.153 5.370 ( -0.747 -1.341 -0.451) 1.600 5.636 ( -0.239 -0.097 -0.940) 0.974 5.773 ( -0.688 -0.485 -2.489) 2.627 6.002 ( -1.479 -0.743 1.884) 2.507 6.300 ( 1.739 1.158 -0.565) 2.164 6.385 ( -0.706 -0.087 -2.350) 2.455 6.479 ( -0.658 -1.240 -2.028) 2.466 6.829 ( 3.281 2.438 0.312) 4.099 6.901 ( -2.267 -1.634 0.715) 2.885 7.088 ( -0.897 -0.622 -2.021) 2.297 7.770 ( 2.854 5.511 6.461) 8.959 7.898 ( 0.605 0.228 -1.184) 1.349 7.926 ( 2.603 -4.747 -0.703) 5.459 8.000 ( -5.486 -0.234 -2.870) 6.196 8.359 ( 1.516 1.698 1.700) 2.841 8.621 ( 4.885 6.401 3.031) 8.604 8.694 ( 3.859 2.170 1.367) 4.634 8.773 ( -4.599 -1.672 3.018) 5.750 8.815 ( -1.240 -5.890 -2.015) 6.347 9.056 ( 1.651 1.651 -2.474) 3.402 9.145 ( -5.377 -1.361 3.247) 6.427 9.207 ( 0.413 -2.128 -4.675) 5.153 ======================= Grid point 192 (81/105) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 3.500 -0.408 0.000) 3.524 1.071 ( 15.846 -4.614 0.000) 16.504 1.300 ( 16.511 1.202 0.000) 16.554 1.695 ( 0.469 -0.506 0.000) 0.690 1.760 ( 0.892 0.930 0.000) 1.288 2.000 ( 3.292 1.568 0.000) 3.646 2.251 ( 7.557 -0.472 0.000) 7.572 2.380 ( -3.002 1.031 -0.000) 3.174 2.446 ( -2.536 -1.103 -0.000) 2.765 2.554 ( 8.967 3.490 0.000) 9.622 2.707 ( -0.374 -1.724 -0.000) 1.764 2.735 ( 0.109 -3.559 0.000) 3.560 3.116 ( 1.859 -0.246 0.000) 1.875 3.155 ( -8.474 3.575 -0.000) 9.197 3.484 ( -1.528 2.806 -0.000) 3.196 3.714 ( -7.567 -1.882 -0.000) 7.797 3.812 ( 5.996 -3.169 0.000) 6.782 4.047 ( -1.294 4.956 -0.000) 5.122 4.341 ( -0.602 -1.327 -0.000) 1.457 4.817 ( 1.871 -1.892 0.000) 2.661 5.609 ( -1.371 0.311 -0.000) 1.406 5.659 ( 10.734 1.180 0.000) 10.798 6.077 ( -0.011 4.603 -0.000) 4.603 6.287 ( 3.850 -3.901 0.000) 5.481 6.351 ( 4.793 -2.602 0.000) 5.454 6.482 ( 2.810 -1.004 0.000) 2.984 6.546 ( 1.531 5.601 0.000) 5.807 6.676 ( -7.968 -7.703 -0.000) 11.083 7.047 ( -3.162 6.551 -0.000) 7.274 7.200 ( -2.735 -3.987 -0.000) 4.835 7.277 ( 3.196 -0.772 0.000) 3.288 7.762 ( 1.719 -3.046 0.000) 3.497 7.939 ( 0.777 1.924 0.000) 2.075 8.041 ( -4.004 -1.706 -0.000) 4.352 8.304 ( 1.267 -0.324 0.000) 1.307 8.310 ( -6.327 0.670 -0.000) 6.362 8.380 ( 16.237 0.364 0.000) 16.241 8.578 ( -4.678 3.932 -0.000) 6.111 8.984 ( -7.748 2.512 -0.000) 8.145 9.130 ( -0.175 -1.141 -0.000) 1.155 9.310 ( -2.534 -1.714 -0.000) 3.059 9.459 ( -1.081 0.056 -0.000) 1.083 ======================= Grid point 201 (82/105) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 1.131 -0.021 0.000) 1.131 1.359 ( 9.747 -9.158 0.000) 13.375 1.522 ( 14.322 -1.399 0.000) 14.390 1.683 ( -2.915 -0.469 -0.000) 2.953 1.790 ( 2.762 -2.768 0.000) 3.911 1.988 ( -0.990 1.205 -0.000) 1.559 2.242 ( -4.907 1.662 -0.000) 5.180 2.313 ( -4.425 0.746 -0.000) 4.487 2.458 ( -1.041 -2.890 -0.000) 3.072 2.675 ( 6.199 2.543 0.000) 6.700 2.733 ( -2.235 -3.187 -0.000) 3.892 2.760 ( 5.461 0.715 0.000) 5.508 2.984 ( -4.160 6.249 -0.000) 7.507 3.211 ( 11.528 -0.694 0.000) 11.549 3.442 ( -0.943 1.573 -0.000) 1.834 3.650 ( -5.386 -2.105 -0.000) 5.783 3.899 ( 4.389 5.996 0.000) 7.430 3.981 ( -0.378 -1.897 -0.000) 1.934 4.273 ( 1.666 10.778 0.000) 10.906 4.946 ( 1.052 -11.546 0.000) 11.594 5.568 ( -3.880 0.481 -0.000) 3.910 5.765 ( 10.296 3.866 0.000) 10.998 6.039 ( 1.678 2.125 0.000) 2.708 6.359 ( 4.094 0.997 0.000) 4.214 6.427 ( -0.566 6.873 -0.000) 6.896 6.517 ( 3.584 -6.841 0.000) 7.723 6.564 ( 2.644 -3.848 0.000) 4.669 6.670 ( -6.531 -6.207 -0.000) 9.010 6.905 ( -1.436 8.168 -0.000) 8.293 7.176 ( -3.186 -0.561 -0.000) 3.235 7.391 ( 2.219 -7.140 0.000) 7.477 7.801 ( -4.125 -2.500 -0.000) 4.824 7.878 ( -2.337 2.248 -0.000) 3.243 8.006 ( -3.856 -0.751 -0.000) 3.928 8.220 ( -5.222 0.812 -0.000) 5.284 8.372 ( 3.816 -4.051 0.000) 5.566 8.478 ( -2.092 2.802 -0.000) 3.497 8.609 ( 15.315 -0.823 0.000) 15.337 8.843 ( -5.982 3.405 -0.000) 6.883 9.123 ( -0.603 2.077 -0.000) 2.162 9.296 ( -2.887 -2.092 -0.000) 3.565 9.435 ( -2.017 0.475 -0.000) 2.072 ======================= Grid point 202 (83/105) ======================= q-point: (-0.22 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 1.192 -0.192 -0.018) 1.207 1.276 ( 11.612 -3.726 1.906) 12.343 1.550 ( 14.326 1.173 3.584) 14.814 1.679 ( -2.112 0.233 -0.346) 2.153 1.760 ( 0.878 -0.244 -1.336) 1.617 2.036 ( 0.028 1.718 3.684) 4.065 2.241 ( -5.923 1.920 -2.864) 6.854 2.329 ( -3.022 -1.541 1.358) 3.654 2.443 ( -1.579 -0.613 2.460) 2.986 2.685 ( -0.484 -3.515 1.396) 3.813 2.704 ( 0.142 -0.397 1.013) 1.097 2.809 ( 10.585 3.253 3.247) 11.540 3.068 ( -3.787 3.148 1.870) 5.268 3.185 ( 9.498 -0.948 -2.152) 9.785 3.470 ( -1.356 1.918 1.012) 2.558 3.611 ( -6.710 -2.422 -0.874) 7.187 3.885 ( 4.454 -3.805 -0.935) 5.932 4.035 ( -0.909 5.022 0.537) 5.132 4.351 ( 3.162 -0.976 -0.892) 3.428 4.834 ( 1.780 -0.833 -1.270) 2.340 5.554 ( -3.636 0.490 -2.514) 4.448 5.781 ( 8.501 0.351 -2.246) 8.799 6.063 ( 2.429 3.541 -4.037) 5.894 6.319 ( 3.067 -4.705 -2.897) 6.319 6.405 ( 4.237 -3.739 -2.115) 6.033 6.472 ( -3.506 0.515 -1.504) 3.849 6.513 ( 1.050 1.375 -4.122) 4.470 6.642 ( 0.363 -0.278 2.202) 2.249 6.998 ( -2.139 5.958 -1.106) 6.427 7.176 ( -2.647 -2.740 1.738) 4.187 7.326 ( 0.662 -2.721 2.087) 3.493 7.768 ( -2.041 -1.132 1.019) 2.547 7.895 ( -3.606 1.795 -2.601) 4.795 8.041 ( -2.608 -1.046 5.962) 6.592 8.235 ( -5.629 -1.116 2.013) 6.082 8.347 ( 2.472 -1.066 1.584) 3.124 8.513 ( 1.979 2.899 -0.741) 3.587 8.655 ( 10.997 2.012 5.467) 12.445 8.877 ( -6.830 1.449 -0.363) 6.991 9.129 ( 0.279 -0.824 -0.209) 0.895 9.263 ( -2.372 -1.113 -1.592) 3.066 9.422 ( -2.267 -0.107 -1.956) 2.996 ======================= Grid point 210 (84/105) ======================= q-point: (-0.44 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 0.472 0.560 0.000) 0.732 1.530 ( 1.520 -2.626 0.000) 3.034 1.601 ( -2.452 -1.771 -0.000) 3.024 1.750 ( 8.119 -0.929 0.000) 8.172 1.874 ( -1.705 -4.517 -0.000) 4.828 1.981 ( 4.032 -0.594 0.000) 4.075 2.140 ( -5.007 1.943 -0.000) 5.371 2.253 ( -3.252 -0.301 -0.000) 3.265 2.478 ( -1.199 -2.014 -0.000) 2.344 2.625 ( -4.933 1.110 -0.000) 5.057 2.718 ( -3.287 4.988 -0.000) 5.974 2.769 ( 2.898 -0.542 0.000) 2.948 3.020 ( 10.461 -1.066 0.000) 10.515 3.354 ( 3.249 5.002 0.000) 5.965 3.437 ( 6.808 -1.514 0.000) 6.974 3.638 ( -2.233 -4.868 -0.000) 5.355 3.786 ( -1.896 9.912 -0.000) 10.091 4.061 ( 1.756 -4.646 0.000) 4.967 4.141 ( 6.389 14.814 0.000) 16.133 5.097 ( -1.109 -8.526 -0.000) 8.598 5.503 ( -4.753 -0.827 -0.000) 4.824 5.833 ( 9.362 6.052 0.000) 11.148 6.074 ( 3.913 -1.735 0.000) 4.281 6.305 ( -1.469 7.593 -0.000) 7.733 6.380 ( 1.741 1.994 0.000) 2.647 6.524 ( -3.091 0.814 -0.000) 3.196 6.654 ( -5.883 -4.001 -0.000) 7.115 6.765 ( 6.024 -9.667 0.000) 11.391 6.821 ( 2.231 4.773 0.000) 5.268 7.140 ( -4.054 -1.322 -0.000) 4.264 7.484 ( -0.517 -2.820 -0.000) 2.867 7.726 ( -6.070 -1.179 -0.000) 6.184 7.856 ( -2.086 -2.265 -0.000) 3.079 7.969 ( -1.698 0.135 -0.000) 1.704 8.149 ( -4.247 -0.309 -0.000) 4.258 8.412 ( -3.910 -1.749 -0.000) 4.283 8.535 ( 6.973 -5.114 0.000) 8.647 8.679 ( -1.375 4.894 -0.000) 5.084 8.856 ( 9.577 -1.581 0.000) 9.707 9.050 ( -1.032 6.567 -0.000) 6.648 9.296 ( -1.953 -2.508 -0.000) 3.179 9.396 ( -2.682 0.065 -0.000) 2.683 ======================= Grid point 211 (85/105) ======================= q-point: (-0.33 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.647 0.225 -0.282) 0.741 1.469 ( 5.311 -5.763 0.826) 7.880 1.608 ( -3.578 1.581 0.132) 3.914 1.727 ( 8.707 -1.851 -0.461) 8.914 1.819 ( 3.184 -3.004 0.583) 4.416 2.015 ( 0.325 0.839 3.857) 3.960 2.130 ( -5.390 2.214 -4.342) 7.267 2.289 ( -3.900 -0.037 3.720) 5.390 2.447 ( -1.133 -2.182 0.471) 2.503 2.648 ( -5.243 0.533 1.410) 5.456 2.734 ( 0.891 -1.803 1.590) 2.564 2.827 ( -1.988 3.790 2.825) 5.129 3.050 ( 9.738 3.228 2.352) 10.526 3.376 ( 13.481 -1.711 -2.014) 13.738 3.433 ( -0.488 2.539 0.135) 2.589 3.565 ( -5.849 -4.426 -0.425) 7.347 3.921 ( -2.147 8.481 0.666) 8.774 3.986 ( 0.775 -5.438 -0.860) 5.559 4.335 ( 8.787 13.288 -0.962) 15.960 4.951 ( 1.190 -10.435 -1.596) 10.623 5.482 ( -5.885 0.161 -2.408) 6.361 5.873 ( 8.062 2.351 -3.282) 9.017 6.061 ( 3.411 1.836 -1.552) 4.173 6.358 ( -4.480 3.969 -3.936) 7.164 6.396 ( 2.201 0.321 -1.792) 2.856 6.493 ( -2.407 -0.786 -5.301) 5.875 6.563 ( 4.115 -4.217 -2.100) 6.255 6.679 ( 2.467 -4.165 2.407) 5.406 6.900 ( 0.539 6.127 0.144) 6.153 7.145 ( -3.731 -0.284 2.202) 4.342 7.408 ( -0.591 -7.233 0.011) 7.258 7.705 ( -8.281 -0.636 -1.017) 8.368 7.846 ( -0.913 0.411 -0.312) 1.048 8.011 ( -2.464 -0.359 6.209) 6.690 8.174 ( -4.939 -0.232 3.250) 5.917 8.383 ( -1.999 -2.652 1.079) 3.492 8.514 ( 5.067 0.619 0.694) 5.152 8.741 ( -0.522 3.625 -0.060) 3.663 8.858 ( 9.632 -0.686 2.761) 10.043 9.118 ( -0.295 2.832 0.472) 2.887 9.250 ( -2.073 -2.110 -1.524) 3.328 9.383 ( -3.365 0.054 -1.801) 3.817 ======================= Grid point 212 (86/105) ======================= q-point: (-0.22 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 0.592 -0.011 -0.252) 0.643 1.423 ( 6.370 -2.922 1.611) 7.191 1.615 ( -3.044 0.964 -2.158) 3.854 1.696 ( 2.569 0.551 -2.433) 3.581 1.825 ( 7.100 -1.051 4.077) 8.254 2.053 ( -5.836 2.742 -3.826) 7.497 2.132 ( -1.344 1.865 2.112) 3.121 2.305 ( -3.336 -3.140 1.958) 4.982 2.464 ( -0.748 0.037 3.426) 3.507 2.674 ( -3.967 0.098 1.800) 4.357 2.750 ( 1.742 -1.707 5.398) 5.924 2.919 ( -1.123 1.944 4.469) 5.002 3.142 ( 7.173 4.139 1.795) 8.474 3.299 ( 10.253 -4.460 -1.573) 11.291 3.458 ( -3.230 0.843 -1.410) 3.624 3.534 ( -0.727 1.214 0.661) 1.561 3.887 ( -0.384 -5.641 -2.577) 6.214 4.022 ( -2.830 4.878 0.415) 5.655 4.416 ( 9.784 -0.871 -2.318) 10.092 4.831 ( 1.487 -0.130 -2.385) 2.814 5.447 ( -6.080 0.676 -3.434) 7.015 5.827 ( 6.787 0.736 -5.639) 8.855 6.041 ( 4.296 0.441 -6.027) 7.415 6.282 ( -1.665 -2.222 -4.964) 5.688 6.342 ( -3.698 -2.859 -2.218) 5.173 6.418 ( 0.585 1.504 -6.606) 6.800 6.538 ( 5.311 -1.367 2.050) 5.855 6.702 ( 2.634 2.575 2.107) 4.243 6.969 ( -0.546 3.637 -0.499) 3.712 7.157 ( -1.860 -1.633 -0.373) 2.503 7.342 ( -3.056 -3.113 3.022) 5.307 7.694 ( -9.663 1.181 -0.994) 9.786 7.860 ( 1.407 0.663 1.453) 2.128 8.098 ( -2.251 -0.506 6.881) 7.257 8.205 ( -4.397 -1.626 2.866) 5.494 8.390 ( -0.574 -0.238 2.392) 2.471 8.546 ( 3.033 2.231 0.947) 3.882 8.771 ( -2.704 1.098 -0.454) 2.954 8.903 ( 9.797 0.023 4.273) 10.688 9.134 ( 1.109 -0.678 -0.343) 1.344 9.212 ( -1.796 -0.343 -1.401) 2.303 9.357 ( -3.029 -0.059 -1.806) 3.527 ======================= Grid point 218 (87/105) ======================= q-point: ( 0.44 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.367 0.859 0.000) 0.934 1.459 ( -5.711 4.827 -0.000) 7.478 1.644 ( -0.026 -3.175 0.000) 3.175 1.743 ( -1.195 6.571 -0.000) 6.679 1.856 ( -3.743 2.178 -0.000) 4.331 2.045 ( -0.066 -0.879 -0.000) 0.881 2.142 ( 3.098 -4.846 0.000) 5.751 2.259 ( 0.797 -3.583 0.000) 3.670 2.468 ( -4.580 -1.646 -0.000) 4.867 2.570 ( 0.096 0.745 0.000) 0.752 2.642 ( 0.674 1.374 0.000) 1.530 2.854 ( 3.866 -3.366 0.000) 5.126 3.157 ( 8.044 1.126 0.000) 8.123 3.230 ( -4.448 9.581 -0.000) 10.563 3.499 ( -0.478 0.418 -0.000) 0.635 3.624 ( -3.306 5.619 -0.000) 6.520 3.749 ( 6.569 -4.224 0.000) 7.810 4.060 ( 4.832 6.562 0.000) 8.149 4.156 ( 7.922 1.538 0.000) 8.070 5.091 ( -8.826 -0.477 -0.000) 8.838 5.503 ( -0.877 -4.854 -0.000) 4.932 5.843 ( 6.516 8.599 0.000) 10.789 6.174 ( 3.766 0.162 0.000) 3.770 6.220 ( 3.190 1.153 0.000) 3.392 6.351 ( -1.486 1.972 -0.000) 2.469 6.455 ( -2.350 2.570 -0.000) 3.483 6.621 ( -4.272 -0.714 -0.000) 4.332 6.791 ( -0.840 2.556 -0.000) 2.690 6.951 ( 4.808 -6.427 0.000) 8.027 7.104 ( -3.718 -1.539 -0.000) 4.024 7.428 ( -5.552 2.244 -0.000) 5.988 7.728 ( -2.178 -4.888 -0.000) 5.352 7.881 ( -0.145 -3.878 -0.000) 3.881 7.961 ( 0.585 0.010 0.000) 0.585 8.132 ( -1.697 -3.639 -0.000) 4.016 8.372 ( -3.176 0.431 -0.000) 3.205 8.601 ( -1.582 2.068 -0.000) 2.604 8.715 ( 5.201 -7.722 0.000) 9.310 8.863 ( -2.440 10.273 -0.000) 10.559 9.034 ( 7.037 0.269 0.000) 7.042 9.289 ( -2.470 -0.652 -0.000) 2.555 9.387 ( -0.580 -2.583 -0.000) 2.648 ======================= Grid point 219 (88/105) ======================= q-point: ( 0.56 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 0.446 0.621 -0.230) 0.798 1.511 ( -2.997 2.985 -0.097) 4.231 1.589 ( 0.050 -4.332 0.228) 4.338 1.797 ( -1.625 0.344 -1.943) 2.556 1.884 ( 2.683 1.618 2.572) 4.054 2.044 ( -0.672 -0.314 -3.058) 3.147 2.070 ( 1.739 -3.487 1.932) 4.349 2.251 ( -1.667 -0.569 2.302) 2.899 2.447 ( -2.163 -0.689 0.301) 2.290 2.594 ( -2.547 -1.889 3.165) 4.480 2.698 ( -1.562 4.378 3.160) 5.620 2.820 ( 1.725 -3.498 2.384) 4.571 3.166 ( 10.068 1.467 -0.150) 10.176 3.352 ( -1.997 7.288 0.280) 7.562 3.489 ( -0.741 -1.287 -0.534) 1.578 3.643 ( 4.341 -4.754 -2.657) 6.964 3.757 ( -2.181 7.605 1.839) 8.123 4.051 ( -1.630 -4.551 -0.732) 4.889 4.290 ( 14.075 14.801 -0.890) 20.444 5.051 ( -4.455 -4.188 -1.711) 6.350 5.428 ( -3.739 -3.996 -1.860) 5.781 5.925 ( 6.467 5.601 -3.289) 9.165 6.115 ( 4.097 -2.235 -2.429) 5.261 6.246 ( -2.143 4.252 -3.983) 6.208 6.380 ( -1.845 2.296 -0.702) 3.028 6.467 ( 1.076 2.624 -4.422) 5.253 6.599 ( -2.620 -1.836 -0.254) 3.209 6.815 ( 1.267 -0.808 -1.112) 1.869 6.863 ( 5.158 -1.854 0.338) 5.491 7.104 ( -3.587 -1.350 2.400) 4.522 7.434 ( -5.088 -0.224 -1.818) 5.408 7.648 ( -5.162 -7.363 0.234) 8.995 7.848 ( 0.265 -0.996 0.864) 1.345 7.995 ( -0.059 0.178 4.802) 4.806 8.122 ( -3.338 -1.646 3.550) 5.143 8.374 ( -3.523 -2.247 2.146) 4.698 8.606 ( 3.279 -1.522 -0.935) 3.735 8.681 ( 1.705 2.367 1.089) 3.114 8.970 ( 3.051 2.668 2.488) 4.756 9.066 ( 3.737 4.281 0.524) 5.707 9.258 ( -1.680 -1.600 -2.021) 3.077 9.346 ( -2.644 -1.933 -1.256) 3.508 ======================= Grid point 221 (89/105) ======================= q-point: (-0.33 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.466 0.298 -0.419) 0.694 1.518 ( 1.026 -1.938 -0.384) 2.226 1.558 ( -2.552 0.126 -0.460) 2.596 1.743 ( 1.091 -1.825 -3.099) 3.758 1.916 ( 1.517 -0.720 -1.327) 2.140 1.961 ( -1.216 -1.186 -2.967) 3.419 2.099 ( -1.703 0.588 2.429) 3.025 2.293 ( -0.624 0.839 3.175) 3.343 2.470 ( 0.620 -0.440 3.798) 3.873 2.606 ( -4.669 -0.661 1.871) 5.073 2.801 ( 1.830 -0.744 5.748) 6.078 2.856 ( -2.516 1.370 7.023) 7.585 3.201 ( 8.523 3.325 -0.188) 9.151 3.387 ( -3.355 0.432 -3.471) 4.847 3.504 ( 4.107 3.965 0.754) 5.758 3.525 ( 4.579 -6.654 -1.755) 8.266 3.879 ( -5.005 6.681 -0.437) 8.359 3.958 ( -1.339 -5.825 -1.119) 6.081 4.469 ( 12.967 13.514 -2.248) 18.863 4.931 ( 0.073 -8.217 -2.834) 8.693 5.354 ( -6.894 -1.574 -3.231) 7.775 5.900 ( 6.553 2.010 -6.725) 9.603 6.079 ( 2.685 0.933 -2.654) 3.889 6.222 ( -4.974 1.276 -5.451) 7.489 6.366 ( -0.524 -0.711 -3.896) 3.995 6.390 ( -0.536 -0.392 -6.106) 6.142 6.625 ( 4.261 4.096 1.235) 6.038 6.738 ( 4.261 -4.613 -0.395) 6.293 6.922 ( 1.078 3.769 1.650) 4.253 7.123 ( -3.229 0.056 1.348) 3.500 7.373 ( -4.322 -6.317 0.467) 7.669 7.560 ( -9.239 -2.650 -2.079) 9.834 7.879 ( 2.654 0.939 3.159) 4.231 8.075 ( -1.518 -0.299 6.235) 6.424 8.162 ( -3.889 -0.681 3.720) 5.425 8.375 ( -3.573 -2.629 3.399) 5.589 8.588 ( 4.549 0.143 -0.091) 4.552 8.731 ( 0.727 3.022 -0.442) 3.140 9.025 ( 6.808 0.411 3.279) 7.567 9.135 ( 1.364 3.197 1.205) 3.679 9.204 ( -0.915 -1.988 -1.996) 2.962 9.311 ( -3.731 -0.488 -1.039) 3.903 ======================= Grid point 222 (90/105) ======================= q-point: (-0.22 -0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.401 0.020 -0.287) 0.494 1.476 ( 1.015 -1.460 -2.860) 3.368 1.527 ( -2.669 0.569 -4.983) 5.681 1.686 ( 1.620 -1.100 -1.691) 2.587 1.850 ( -4.159 2.449 -7.349) 8.793 1.945 ( -2.008 -0.389 0.740) 2.175 2.154 ( -0.937 0.843 4.248) 4.431 2.339 ( 1.459 -1.057 3.630) 4.053 2.510 ( 0.736 -0.970 2.977) 3.216 2.632 ( -4.952 0.938 1.197) 5.181 2.884 ( 3.683 -0.000 8.037) 8.840 2.979 ( -1.385 0.379 7.654) 7.787 3.204 ( 3.630 1.539 -5.761) 6.981 3.291 ( -1.185 -3.255 -8.578) 9.251 3.472 ( 5.775 0.894 3.566) 6.845 3.588 ( 2.708 2.999 2.620) 4.816 3.815 ( -3.594 -5.045 -3.694) 7.212 3.977 ( -3.995 2.742 0.978) 4.944 4.542 ( 13.343 -0.689 -3.070) 13.709 4.812 ( 0.944 0.130 -2.746) 2.906 5.302 ( -8.328 0.537 -3.382) 9.005 5.830 ( 5.913 0.996 -6.450) 8.807 6.017 ( 4.178 -2.204 -5.857) 7.524 6.163 ( -5.635 1.285 -3.539) 6.777 6.297 ( 0.166 -1.892 -2.227) 2.927 6.328 ( -0.380 1.284 -5.643) 5.800 6.616 ( 1.529 -2.110 -3.304) 4.208 6.768 ( 5.182 2.349 3.688) 6.780 6.976 ( 1.017 1.440 1.390) 2.245 7.127 ( -0.866 0.016 -0.648) 1.081 7.336 ( -5.049 -2.396 4.431) 7.132 7.529 ( -11.385 0.797 -0.647) 11.431 7.937 ( 3.856 0.355 3.251) 5.056 8.146 ( -2.030 1.009 3.620) 4.271 8.182 ( -3.374 -1.888 1.680) 4.215 8.399 ( -2.700 -0.155 2.608) 3.757 8.604 ( 3.044 1.685 0.553) 3.523 8.737 ( 0.332 -0.482 -1.381) 1.500 9.066 ( 5.912 0.199 2.093) 6.275 9.149 ( 1.246 -2.460 -1.027) 2.942 9.195 ( 1.002 2.275 1.789) 3.063 9.309 ( -2.888 -0.349 1.244) 3.164 ======================= Grid point 227 (91/105) ======================= q-point: ( 0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.383 1.345 0.000) 1.398 1.271 ( -4.823 11.275 -0.000) 12.264 1.552 ( -2.773 14.508 -0.000) 14.770 1.687 ( -0.757 -1.688 -0.000) 1.850 1.786 ( -2.046 0.815 -0.000) 2.202 2.036 ( -2.000 -0.450 -0.000) 2.050 2.244 ( 1.572 -4.010 0.000) 4.307 2.338 ( 0.924 -4.413 0.000) 4.509 2.425 ( -2.759 -1.089 -0.000) 2.966 2.615 ( 4.039 -1.412 0.000) 4.278 2.673 ( 2.844 -0.973 0.000) 3.006 2.848 ( -4.386 11.404 -0.000) 12.219 3.074 ( -0.086 -0.415 -0.000) 0.424 3.180 ( 2.373 5.523 0.000) 6.011 3.489 ( -1.778 -2.257 -0.000) 2.873 3.595 ( 0.738 -3.704 0.000) 3.777 3.838 ( 4.319 2.918 0.000) 5.213 4.067 ( 0.620 -0.331 0.000) 0.703 4.254 ( 10.503 2.266 0.000) 10.745 4.927 ( -10.977 2.152 -0.000) 11.186 5.569 ( 0.348 -4.144 0.000) 4.158 5.781 ( 2.931 9.658 0.000) 10.093 6.141 ( -1.138 2.609 -0.000) 2.846 6.282 ( 1.356 2.191 0.000) 2.576 6.375 ( 6.364 3.061 0.000) 7.062 6.436 ( 1.864 -6.440 0.000) 6.705 6.550 ( -2.763 3.372 -0.000) 4.359 6.701 ( -6.028 3.309 -0.000) 6.877 7.064 ( 1.283 -1.589 0.000) 2.042 7.103 ( 0.246 -4.417 0.000) 4.424 7.334 ( -4.113 1.429 -0.000) 4.355 7.750 ( -0.779 -1.497 -0.000) 1.687 7.953 ( 0.857 -5.386 0.000) 5.453 7.966 ( -0.208 0.350 -0.000) 0.407 8.203 ( 1.371 -6.422 0.000) 6.566 8.325 ( -0.139 2.602 -0.000) 2.606 8.572 ( -3.063 -1.800 -0.000) 3.553 8.644 ( -3.410 14.556 -0.000) 14.950 8.877 ( 1.825 -8.560 0.000) 8.752 9.104 ( 3.270 0.142 0.000) 3.273 9.274 ( -0.888 -1.436 -0.000) 1.689 9.429 ( 0.681 -2.512 0.000) 2.603 ======================= Grid point 228 (92/105) ======================= q-point: ( 0.44 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 0.376 0.806 -0.101) 0.895 1.403 ( -2.343 7.164 0.602) 7.561 1.639 ( -0.474 -3.150 -0.380) 3.208 1.738 ( -1.973 5.576 1.283) 6.053 1.800 ( -1.984 5.752 -1.005) 6.167 2.052 ( -1.127 -1.096 2.965) 3.356 2.175 ( 0.976 -6.029 -0.472) 6.126 2.264 ( 0.531 -2.687 -1.693) 3.220 2.429 ( -1.631 -1.356 2.671) 3.411 2.623 ( 1.843 -2.004 3.699) 4.593 2.667 ( 1.761 0.000 1.992) 2.658 2.894 ( 0.285 -3.376 1.665) 3.776 3.176 ( -4.955 10.156 1.996) 11.475 3.250 ( 6.951 5.359 -1.952) 8.991 3.482 ( -2.021 -0.887 0.567) 2.279 3.567 ( -3.231 2.119 -0.913) 3.970 3.834 ( 5.956 -2.138 -0.877) 6.388 4.066 ( -1.810 -1.348 -0.067) 2.258 4.321 ( 13.462 9.128 -0.980) 16.295 4.945 ( -10.127 1.796 -1.556) 10.402 5.487 ( -0.118 -6.241 -1.707) 6.471 5.884 ( 1.978 8.125 -3.038) 8.897 6.139 ( -0.785 3.558 -6.106) 7.111 6.274 ( 4.246 -4.368 -0.998) 6.173 6.336 ( 1.910 0.886 -2.277) 3.102 6.447 ( 2.929 4.116 -1.373) 5.235 6.569 ( -3.488 0.194 -1.412) 3.768 6.738 ( -4.712 3.881 -0.235) 6.109 7.004 ( 2.693 -3.486 -1.917) 4.804 7.095 ( -0.072 -2.721 3.933) 4.783 7.347 ( -4.231 0.808 -0.789) 4.379 7.713 ( -1.735 -6.764 1.195) 7.085 7.870 ( -0.685 -2.448 -1.169) 2.798 8.004 ( 0.843 -0.841 4.969) 5.110 8.147 ( 0.146 -4.922 3.237) 5.893 8.360 ( -0.954 -0.231 2.189) 2.399 8.573 ( -2.064 2.686 -0.193) 3.393 8.771 ( 2.323 -5.550 -0.159) 6.019 8.855 ( -1.347 11.004 3.226) 11.546 9.110 ( 3.452 0.564 0.370) 3.517 9.243 ( -1.487 -0.798 -2.086) 2.684 9.376 ( 0.204 -3.638 -1.306) 3.871 ======================= Grid point 229 (93/105) ======================= q-point: (-0.44 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.306 0.487 -0.360) 0.679 1.481 ( -0.886 3.652 -0.021) 3.758 1.583 ( -0.820 -3.576 -1.003) 3.803 1.732 ( -1.771 1.034 -3.558) 4.106 1.904 ( -0.327 3.163 -0.671) 3.250 2.013 ( -2.082 -5.069 -2.631) 6.079 2.102 ( 0.640 -3.426 1.723) 3.887 2.271 ( 1.144 2.375 3.027) 4.014 2.466 ( -0.261 0.790 3.382) 3.483 2.611 ( -0.687 -4.842 2.587) 5.533 2.769 ( -0.168 2.939 8.218) 8.730 2.886 ( 0.754 -3.541 5.145) 6.290 3.272 ( 7.453 3.960 -3.112) 8.995 3.304 ( -3.434 4.053 -1.178) 5.441 3.466 ( -1.694 1.178 0.792) 2.210 3.618 ( -2.648 2.902 -0.855) 4.020 3.789 ( 4.467 -0.243 -1.719) 4.792 4.012 ( -2.370 -5.306 -0.621) 5.844 4.461 ( 13.377 13.631 -2.333) 19.240 4.930 ( -7.995 0.284 -2.892) 8.507 5.360 ( -1.692 -7.506 -2.836) 8.200 5.916 ( 2.127 5.867 -6.372) 8.919 6.084 ( 1.199 2.426 -6.969) 7.476 6.196 ( 0.459 -3.718 -1.532) 4.047 6.325 ( -0.440 2.109 -3.495) 4.106 6.423 ( 0.694 -1.056 -6.283) 6.409 6.587 ( 1.365 5.103 0.919) 5.362 6.792 ( -2.712 2.196 -0.204) 3.496 6.948 ( 4.540 -1.955 0.775) 5.004 7.105 ( -0.777 -2.377 2.493) 3.531 7.336 ( -5.593 -1.082 -0.184) 5.699 7.580 ( -3.248 -10.578 -1.836) 11.217 7.887 ( 0.800 1.883 3.230) 3.824 8.073 ( 0.517 -0.483 5.838) 5.881 8.144 ( -1.407 -3.042 3.919) 5.157 8.374 ( -2.276 -3.129 3.440) 5.178 8.614 ( -0.419 2.272 0.123) 2.313 8.726 ( 3.171 0.225 -0.682) 3.251 9.023 ( 0.129 6.420 3.478) 7.302 9.133 ( 2.965 1.816 0.274) 3.488 9.207 ( -1.196 -0.066 -1.469) 1.896 9.307 ( -0.718 -3.898 -0.832) 4.050 ======================= Grid point 230 (94/105) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.308 0.296 -0.305) 0.524 1.482 ( -0.822 0.150 -4.769) 4.842 1.508 ( -1.959 -2.467 -4.712) 5.668 1.710 ( 0.617 2.528 -2.935) 3.922 1.817 ( -0.269 -3.519 -6.071) 7.023 1.923 ( -4.997 -4.132 -1.239) 6.602 2.149 ( 1.879 1.330 5.068) 5.566 2.352 ( 1.082 1.718 3.166) 3.762 2.527 ( -0.087 1.221 2.720) 2.983 2.580 ( -2.097 -3.409 1.848) 4.408 2.925 ( 1.130 1.701 8.750) 8.985 2.951 ( 0.138 -0.655 9.117) 9.142 3.209 ( -2.280 -2.885 -7.189) 8.076 3.301 ( 4.436 5.965 -8.331) 11.165 3.547 ( 0.722 2.742 2.319) 3.663 3.597 ( 4.229 -1.712 1.978) 4.973 3.771 ( -5.197 -0.096 -3.112) 6.058 3.948 ( -0.816 -2.811 0.928) 3.071 4.607 ( 12.105 12.557 -3.039) 17.704 4.871 ( -3.082 -3.100 -3.157) 5.392 5.222 ( -5.498 -5.904 -3.371) 8.744 5.878 ( 4.036 2.973 -7.329) 8.880 6.048 ( -0.378 2.957 -3.992) 4.983 6.113 ( -1.357 -3.611 -3.808) 5.420 6.300 ( -0.021 1.642 -3.793) 4.133 6.326 ( 0.544 -0.935 -4.251) 4.387 6.618 ( -0.805 0.475 -6.564) 6.630 6.829 ( 5.417 4.216 3.898) 7.894 6.981 ( 2.335 0.634 3.291) 4.085 7.101 ( -1.762 -1.243 1.084) 2.414 7.326 ( -6.717 -4.310 4.026) 8.939 7.427 ( -4.847 -6.139 -2.017) 8.077 7.970 ( 2.635 2.445 3.529) 5.037 8.121 ( 0.353 -0.565 2.136) 2.237 8.164 ( -2.721 -1.263 2.634) 3.992 8.376 ( -3.206 -3.174 3.754) 5.869 8.627 ( 1.207 0.011 -0.076) 1.210 8.743 ( 2.706 3.235 -1.631) 4.522 9.109 ( 2.410 1.719 0.728) 3.048 9.144 ( -0.680 1.473 -1.186) 2.010 9.230 ( 2.815 0.035 3.463) 4.463 9.271 ( -2.644 -1.135 2.002) 3.505 ======================= Grid point 231 (95/105) ======================= q-point: (-0.22 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.459 -0.002 0.053) 0.462 1.354 ( -1.339 -0.344 -12.680) 12.755 1.380 ( -4.711 0.273 -11.433) 12.369 1.704 ( 2.614 -1.117 -0.681) 2.923 1.737 ( -0.852 1.433 -3.067) 3.491 1.894 ( -5.593 -0.265 1.821) 5.888 2.220 ( 0.483 0.238 2.250) 2.313 2.389 ( 0.827 -0.230 1.553) 1.775 2.553 ( 0.606 -0.430 1.539) 1.708 2.583 ( -3.446 0.462 0.568) 3.523 2.997 ( 1.705 0.004 -9.213) 9.370 3.077 ( 0.150 2.452 5.487) 6.012 3.086 ( -0.753 -2.549 5.074) 5.728 3.202 ( 3.635 -0.150 -10.922) 11.512 3.571 ( 2.151 0.733 0.617) 2.354 3.675 ( 2.844 0.635 5.208) 5.967 3.733 ( -4.168 -1.449 2.243) 4.950 3.945 ( -2.524 0.309 0.113) 2.546 4.680 ( 12.337 -0.301 -2.766) 12.647 4.786 ( 0.272 0.191 -2.278) 2.302 5.133 ( -9.615 0.123 -3.469) 10.222 5.813 ( 3.497 0.239 -5.733) 6.720 6.006 ( 2.998 -1.863 -2.873) 4.551 6.055 ( -3.938 1.788 -2.253) 4.877 6.273 ( 1.002 -0.372 -2.277) 2.515 6.281 ( 0.649 0.160 -1.915) 2.028 6.488 ( -3.847 -0.150 -9.617) 10.359 6.942 ( 8.870 -0.521 5.115) 10.253 7.028 ( 2.234 0.885 2.610) 3.548 7.116 ( -2.484 0.430 1.856) 3.130 7.297 ( -4.800 -0.593 -1.887) 5.192 7.431 ( -8.208 -0.060 8.728) 11.981 8.019 ( 3.480 -0.225 0.738) 3.564 8.134 ( -0.932 2.051 -1.732) 2.842 8.151 ( -2.755 -1.814 -1.135) 3.489 8.402 ( -2.197 -0.172 3.628) 4.245 8.622 ( 0.145 0.387 -1.082) 1.158 8.746 ( 3.009 -0.138 -1.357) 3.304 9.125 ( 1.759 0.836 0.644) 2.051 9.140 ( -0.301 -1.200 0.088) 1.240 9.273 ( 2.217 0.643 2.757) 3.596 9.322 ( -0.569 -0.342 4.741) 4.787 ======================= Grid point 240 (96/105) ======================= q-point: (-0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 0.000 0.000 0.665) 0.665 1.134 ( -0.000 -0.000 -17.667) 17.667 1.134 ( -0.000 -0.000 -17.667) 17.667 1.715 ( -0.000 -0.000 -0.459) 0.459 1.715 ( -0.000 -0.000 -0.459) 0.459 1.887 ( 0.000 0.000 2.360) 2.360 2.133 ( -0.000 -0.000 -15.181) 15.181 2.432 ( 0.000 0.000 3.431) 3.431 2.565 ( 0.000 0.000 0.170) 0.170 2.565 ( 0.000 0.000 0.170) 0.170 2.824 ( -0.000 -0.000 -10.470) 10.470 3.071 ( -0.000 -0.000 -11.068) 11.068 3.185 ( 0.000 0.000 6.437) 6.437 3.185 ( 0.000 0.000 6.437) 6.437 3.560 ( -0.000 -0.000 -1.382) 1.382 3.778 ( 0.000 0.000 5.645) 5.645 3.778 ( 0.000 0.000 5.645) 5.645 3.905 ( -0.000 -0.000 -2.399) 2.399 4.763 ( -0.000 -0.000 -1.228) 1.228 4.763 ( -0.000 -0.000 -1.228) 1.228 4.987 ( -0.000 -0.000 -4.430) 4.430 5.766 ( -0.000 -0.000 -5.007) 5.007 6.016 ( 0.000 0.000 0.913) 0.913 6.016 ( 0.000 0.000 0.913) 0.913 6.271 ( -0.000 -0.000 -0.377) 0.377 6.271 ( -0.000 -0.000 -0.377) 0.377 6.322 ( -0.000 -0.000 -8.473) 8.473 7.091 ( 0.000 0.000 3.039) 3.039 7.091 ( 0.000 0.000 3.039) 3.039 7.105 ( 0.000 0.000 3.171) 3.171 7.207 ( -0.000 -0.000 -3.995) 3.995 7.527 ( 0.000 0.000 12.608) 12.608 8.057 ( 0.000 0.000 0.547) 0.547 8.069 ( -0.000 -0.000 -6.527) 6.527 8.069 ( -0.000 -0.000 -6.527) 6.527 8.446 ( 0.000 0.000 4.443) 4.443 8.595 ( -0.000 -0.000 -2.470) 2.470 8.756 ( -0.000 -0.000 -0.567) 0.567 9.152 ( 0.000 0.000 1.810) 1.810 9.152 ( 0.000 0.000 1.810) 1.810 9.311 ( 0.000 0.000 1.619) 1.619 9.392 ( 0.000 0.000 4.428) 4.428 ======================= Grid point 286 (97/105) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.816 -0.194 0.000) 0.839 1.400 ( 7.859 -2.710 0.000) 8.313 1.631 ( -3.877 1.461 -0.000) 4.143 1.709 ( 10.613 -0.132 0.000) 10.614 1.802 ( 3.323 -0.334 0.000) 3.340 2.001 ( -0.020 1.890 -0.000) 1.890 2.185 ( -5.613 0.414 -0.000) 5.628 2.276 ( -3.485 1.555 -0.000) 3.816 2.403 ( -1.297 -2.197 -0.000) 2.551 2.631 ( -5.252 -1.747 -0.000) 5.535 2.683 ( -0.067 -2.691 -0.000) 2.692 2.864 ( -2.738 3.018 -0.000) 4.075 3.091 ( 10.405 4.971 0.000) 11.531 3.350 ( 10.405 -4.938 0.000) 11.517 3.457 ( -0.037 1.223 -0.000) 1.224 3.542 ( -2.865 0.820 -0.000) 2.980 3.915 ( -1.287 -5.146 -0.000) 5.304 4.017 ( -1.521 5.186 -0.000) 5.404 4.448 ( 10.235 -0.667 0.000) 10.257 4.869 ( 1.890 -0.268 0.000) 1.909 5.499 ( -6.617 -0.038 -0.000) 6.617 5.917 ( 8.409 0.398 0.000) 8.419 6.119 ( 2.490 4.791 0.000) 5.400 6.370 ( -8.596 -4.497 -0.000) 9.702 6.391 ( 3.262 -4.019 0.000) 5.176 6.491 ( 4.054 -1.607 0.000) 4.361 6.582 ( 2.825 -3.619 0.000) 4.591 6.652 ( 3.149 7.263 0.000) 7.916 6.983 ( -1.100 5.823 -0.000) 5.926 7.103 ( -4.367 -3.626 -0.000) 5.676 7.335 ( 1.056 -2.315 0.000) 2.544 7.700 ( -6.925 -0.611 -0.000) 6.952 7.874 ( -3.156 1.316 -0.000) 3.420 7.961 ( -1.183 0.430 -0.000) 1.258 8.136 ( -5.670 -1.432 -0.000) 5.848 8.347 ( -1.458 -1.148 -0.000) 1.856 8.539 ( 3.826 2.791 0.000) 4.736 8.781 ( 0.046 1.600 0.000) 1.601 8.827 ( 8.549 -0.693 0.000) 8.577 9.132 ( 0.277 -0.294 0.000) 0.404 9.244 ( -1.890 -0.112 -0.000) 1.893 9.392 ( -4.018 -0.504 -0.000) 4.049 ======================= Grid point 295 (98/105) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.510 0.342 0.000) 0.614 1.518 ( 2.571 -3.411 0.000) 4.271 1.558 ( -3.222 1.643 -0.000) 3.617 1.802 ( -1.634 -2.699 -0.000) 3.156 1.876 ( 8.179 1.689 0.000) 8.351 2.014 ( 3.013 -1.450 0.000) 3.344 2.097 ( -4.629 1.576 -0.000) 4.890 2.227 ( -0.436 1.057 -0.000) 1.143 2.424 ( -1.785 -2.590 -0.000) 3.145 2.551 ( -6.108 -0.665 -0.000) 6.144 2.725 ( -0.864 -0.029 -0.000) 0.865 2.766 ( -2.300 0.378 -0.000) 2.331 3.191 ( 10.763 2.720 0.000) 11.101 3.422 ( -1.750 2.072 -0.000) 2.712 3.499 ( -1.428 1.579 -0.000) 2.129 3.576 ( 10.904 -5.243 0.000) 12.099 3.855 ( -5.424 6.688 -0.000) 8.611 3.990 ( -1.548 -4.421 -0.000) 4.684 4.502 ( 13.571 14.050 0.000) 19.534 4.974 ( 0.281 -8.288 0.000) 8.293 5.404 ( -7.550 -1.590 -0.000) 7.716 6.011 ( 7.795 2.369 0.000) 8.147 6.109 ( 2.377 1.044 0.000) 2.596 6.292 ( -6.807 -0.760 -0.000) 6.849 6.430 ( 0.815 2.926 0.000) 3.037 6.533 ( -2.049 -4.130 -0.000) 4.610 6.597 ( 3.759 7.246 0.000) 8.163 6.744 ( 6.957 -7.243 0.000) 10.043 6.904 ( -0.098 5.015 -0.000) 5.015 7.069 ( -4.214 -1.084 -0.000) 4.351 7.406 ( -1.145 -5.970 -0.000) 6.078 7.588 ( -9.077 -1.481 -0.000) 9.197 7.840 ( -0.186 0.663 -0.000) 0.689 7.952 ( 0.520 -0.540 0.000) 0.749 8.083 ( -4.529 -0.713 -0.000) 4.585 8.324 ( -4.290 -2.480 -0.000) 4.955 8.590 ( 5.003 -0.196 0.000) 5.006 8.734 ( 0.966 4.024 0.000) 4.138 8.964 ( 6.959 -0.062 0.000) 6.960 9.120 ( 1.420 3.223 0.000) 3.522 9.239 ( -1.136 -2.370 -0.000) 2.628 9.337 ( -4.833 -0.817 -0.000) 4.901 ======================= Grid point 296 (99/105) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.568 -0.054 -0.295) 0.642 1.482 ( 3.930 -1.662 0.367) 4.282 1.579 ( -3.356 1.126 -0.153) 3.543 1.762 ( 0.567 -0.651 -1.979) 2.159 1.894 ( 7.595 0.200 0.790) 7.638 2.017 ( -1.476 1.033 -0.655) 1.917 2.098 ( -3.983 0.916 -1.023) 4.213 2.257 ( 0.402 -0.169 1.534) 1.595 2.412 ( -0.525 -0.912 3.334) 3.496 2.566 ( -6.495 0.049 2.532) 6.971 2.712 ( 1.389 -2.585 3.154) 4.308 2.819 ( -4.788 2.224 2.937) 6.041 3.242 ( 8.017 3.883 0.749) 8.939 3.412 ( 0.896 -4.090 -2.204) 4.731 3.454 ( 2.811 -2.729 0.316) 3.931 3.580 ( 6.613 4.806 -1.642) 8.338 3.877 ( -3.487 -5.152 0.420) 6.235 3.974 ( -4.099 3.896 -0.945) 5.733 4.609 ( 13.947 -0.521 -1.462) 14.033 4.881 ( 1.483 0.136 -1.684) 2.249 5.381 ( -8.760 0.053 -1.821) 8.947 5.994 ( 7.117 0.507 -4.096) 8.227 6.138 ( 2.074 3.442 -2.081) 4.526 6.245 ( -7.264 -3.860 -1.978) 8.461 6.401 ( 2.378 -3.025 -3.960) 5.522 6.483 ( -1.696 2.322 -3.885) 4.834 6.631 ( 8.008 -4.489 -1.228) 9.263 6.718 ( 3.553 5.033 1.514) 6.344 6.967 ( -0.756 3.236 -0.423) 3.350 7.069 ( -5.076 -2.714 3.748) 6.868 7.328 ( -0.287 -1.444 -2.218) 2.663 7.575 ( -9.980 0.607 -1.268) 10.078 7.855 ( 0.805 0.277 1.497) 1.723 7.996 ( 0.170 0.865 4.947) 5.025 8.093 ( -4.569 -1.535 3.607) 6.020 8.319 ( -4.099 -0.061 2.072) 4.594 8.600 ( 3.993 1.291 -0.048) 4.197 8.761 ( 0.934 -0.141 -0.376) 1.017 8.981 ( 7.663 -0.266 2.748) 8.145 9.146 ( 1.507 0.114 0.523) 1.600 9.213 ( -1.176 0.312 -1.434) 1.881 9.320 ( -5.034 -0.484 -1.047) 5.164 ======================= Grid point 303 (100/105) ======================= q-point: ( 0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 0.365 0.685 0.000) 0.777 1.479 ( -1.460 4.369 -0.000) 4.607 1.588 ( -0.192 -3.962 -0.000) 3.967 1.780 ( -1.682 0.832 -0.000) 1.876 1.892 ( 0.486 6.288 0.000) 6.307 2.034 ( -1.398 1.157 -0.000) 1.815 2.102 ( 1.352 -5.355 0.000) 5.523 2.242 ( 1.901 -1.168 0.000) 2.231 2.397 ( -3.302 -0.459 -0.000) 3.334 2.548 ( -0.258 -4.652 -0.000) 4.660 2.670 ( 0.385 2.231 0.000) 2.264 2.817 ( -0.123 -5.222 -0.000) 5.224 3.276 ( 1.458 3.636 0.000) 3.917 3.335 ( 3.930 7.317 0.000) 8.305 3.463 ( -1.987 -0.565 -0.000) 2.065 3.661 ( -5.023 8.185 -0.000) 9.603 3.787 ( 7.518 -4.423 0.000) 8.723 4.025 ( -2.789 -4.434 -0.000) 5.238 4.495 ( 13.967 14.113 0.000) 19.856 4.974 ( -8.116 0.510 -0.000) 8.132 5.403 ( -1.604 -7.516 -0.000) 7.685 6.013 ( 2.380 7.249 0.000) 7.629 6.195 ( 5.006 -5.740 0.000) 7.616 6.214 ( -4.803 1.054 -0.000) 4.917 6.392 ( 1.823 3.496 0.000) 3.943 6.531 ( 0.020 2.616 -0.000) 2.616 6.576 ( 2.550 2.235 0.000) 3.390 6.790 ( -5.038 3.408 -0.000) 6.082 6.954 ( 7.009 -5.357 0.000) 8.822 7.034 ( -3.660 -1.392 -0.000) 3.916 7.377 ( -5.161 1.228 -0.000) 5.305 7.598 ( -1.947 -8.986 -0.000) 9.194 7.845 ( 0.320 -1.162 0.000) 1.206 7.973 ( 0.256 0.514 0.000) 0.575 8.058 ( -1.320 -3.738 -0.000) 3.965 8.319 ( -2.096 -3.174 -0.000) 3.803 8.618 ( -1.070 2.284 -0.000) 2.522 8.729 ( 4.389 0.575 0.000) 4.427 8.962 ( -0.253 6.790 -0.000) 6.795 9.120 ( 3.375 1.776 0.000) 3.814 9.246 ( -2.287 -0.907 -0.000) 2.461 9.327 ( -0.791 -4.526 -0.000) 4.594 ======================= Grid point 304 (101/105) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.323 0.354 -0.332) 0.583 1.522 ( -1.048 2.088 -0.148) 2.341 1.544 ( 0.391 -2.479 0.164) 2.515 1.765 ( -1.429 -0.852 -0.733) 1.818 1.959 ( 2.153 2.318 -1.139) 3.362 2.007 ( -0.709 -2.303 -4.539) 5.139 2.058 ( -0.172 -0.072 1.202) 1.217 2.268 ( 2.630 2.379 2.440) 4.305 2.417 ( -1.353 -0.228 3.575) 3.829 2.505 ( -3.892 -4.344 3.065) 6.589 2.728 ( -1.026 2.589 3.577) 4.534 2.774 ( -0.408 -3.750 3.239) 4.972 3.286 ( 1.622 -0.722 -0.366) 1.813 3.415 ( 4.287 4.885 -1.112) 6.594 3.498 ( -0.202 4.504 0.809) 4.580 3.652 ( 3.143 -3.183 -4.535) 6.370 3.816 ( -1.649 3.916 2.331) 4.846 3.950 ( -2.329 -4.837 -1.426) 5.555 4.675 ( 12.703 13.084 -1.550) 18.302 4.947 ( -2.968 -3.123 -1.784) 4.663 5.296 ( -5.743 -5.770 -1.671) 8.311 6.063 ( 4.226 3.756 -4.533) 7.246 6.125 ( 1.280 -1.420 -1.204) 2.259 6.202 ( -4.001 -0.986 -2.417) 4.777 6.414 ( 0.198 2.991 -3.265) 4.433 6.470 ( -0.611 -3.015 -4.657) 5.582 6.668 ( 4.906 7.648 0.705) 9.114 6.808 ( 1.398 -2.304 -0.697) 2.784 6.917 ( 2.733 1.057 1.062) 3.117 7.031 ( -4.284 -2.097 2.498) 5.385 7.350 ( -3.777 -2.551 -3.108) 5.516 7.485 ( -4.472 -5.320 -1.223) 7.056 7.864 ( 1.256 1.192 2.889) 3.369 8.002 ( 1.527 -0.239 4.132) 4.412 8.056 ( -3.335 -1.167 3.832) 5.212 8.286 ( -3.164 -3.267 2.152) 5.031 8.630 ( 1.257 0.415 -0.125) 1.330 8.770 ( 3.442 3.712 -0.323) 5.073 9.037 ( 1.833 2.230 2.731) 3.974 9.156 ( 2.569 2.311 0.467) 3.487 9.218 ( -0.789 -1.714 -1.391) 2.345 9.269 ( -3.541 -2.589 -0.785) 4.456 ======================= Grid point 305 (102/105) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.290 -0.001 -0.465) 0.548 1.515 ( 1.146 -0.631 -0.922) 1.601 1.535 ( -1.832 0.533 -1.404) 2.369 1.751 ( 2.003 -0.378 -1.060) 2.297 1.907 ( -2.139 1.102 -7.473) 7.851 1.920 ( -3.016 -0.497 -4.153) 5.156 2.099 ( 0.851 -0.009 3.913) 4.005 2.328 ( 3.576 -0.158 2.810) 4.550 2.473 ( 0.727 -0.110 4.735) 4.792 2.525 ( -5.453 0.162 3.777) 6.635 2.806 ( 1.526 -1.012 7.661) 7.877 2.836 ( -2.654 0.972 7.558) 8.069 3.260 ( -1.911 0.282 -2.992) 3.561 3.439 ( 7.705 0.422 -4.252) 8.810 3.521 ( 4.997 -3.024 1.513) 6.034 3.596 ( -0.667 3.252 -1.077) 3.490 3.816 ( -4.285 -2.046 -4.547) 6.574 3.918 ( -1.808 1.157 1.312) 2.515 4.764 ( 12.396 -0.253 -2.882) 12.729 4.864 ( 0.736 0.152 -2.925) 3.020 5.223 ( -9.175 0.065 -2.878) 9.616 6.007 ( 5.704 0.493 -7.206) 9.204 6.110 ( -0.293 0.086 -3.615) 3.628 6.133 ( -4.201 -0.661 -2.759) 5.069 6.367 ( 1.772 -1.258 -4.817) 5.285 6.390 ( -1.392 1.329 -5.257) 5.598 6.709 ( 3.272 -1.568 -5.109) 6.267 6.799 ( 7.126 1.858 4.357) 8.557 6.966 ( 0.252 0.979 1.445) 1.764 7.044 ( -6.599 -1.254 3.983) 7.809 7.273 ( -2.252 -0.281 -2.502) 3.378 7.428 ( -6.607 0.240 -2.487) 7.063 7.931 ( 2.879 0.059 4.655) 5.474 8.073 ( 0.481 0.886 5.106) 5.204 8.099 ( -2.690 -1.114 4.325) 5.214 8.301 ( -3.865 0.099 3.480) 5.202 8.633 ( 1.279 0.219 -0.136) 1.304 8.787 ( 3.230 -0.070 -1.208) 3.450 9.100 ( 3.953 -0.211 3.472) 5.265 9.174 ( -0.063 -1.083 -1.765) 2.072 9.187 ( 0.693 1.680 1.053) 2.100 9.246 ( -3.817 -0.439 0.366) 3.859 ======================= Grid point 314 (103/105) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -0.000 -0.000 -0.223) 0.223 1.476 ( -0.000 -0.000 -6.198) 6.198 1.476 ( -0.000 -0.000 -6.198) 6.198 1.790 ( -0.000 -0.000 -6.405) 6.405 1.790 ( -0.000 -0.000 -6.405) 6.405 1.801 ( 0.000 0.000 2.807) 2.807 2.174 ( 0.000 0.000 5.095) 5.095 2.380 ( 0.000 0.000 1.250) 1.250 2.533 ( 0.000 0.000 2.810) 2.810 2.533 ( 0.000 0.000 2.810) 2.810 2.945 ( 0.000 0.000 10.436) 10.436 2.945 ( 0.000 0.000 10.436) 10.436 3.166 ( -0.000 -0.000 -8.618) 8.618 3.392 ( -0.000 -0.000 -10.942) 10.942 3.616 ( 0.000 0.000 4.954) 4.954 3.616 ( 0.000 0.000 4.954) 4.954 3.673 ( -0.000 -0.000 -7.568) 7.568 3.929 ( 0.000 0.000 0.768) 0.768 4.826 ( -0.000 -0.000 -3.214) 3.214 4.826 ( -0.000 -0.000 -3.214) 3.214 5.097 ( -0.000 -0.000 -3.628) 3.628 5.939 ( -0.000 -0.000 -8.381) 8.381 6.063 ( -0.000 -0.000 -3.026) 3.026 6.063 ( -0.000 -0.000 -3.026) 3.026 6.323 ( -0.000 -0.000 -3.626) 3.626 6.323 ( -0.000 -0.000 -3.626) 3.626 6.605 ( -0.000 -0.000 -10.543) 10.543 6.984 ( 0.000 0.000 7.148) 7.148 7.005 ( 0.000 0.000 3.029) 3.029 7.005 ( 0.000 0.000 3.029) 3.029 7.240 ( 0.000 0.000 1.772) 1.772 7.347 ( -0.000 -0.000 -2.552) 2.552 8.014 ( 0.000 0.000 3.553) 3.553 8.129 ( 0.000 0.000 2.222) 2.222 8.129 ( 0.000 0.000 2.222) 2.222 8.322 ( 0.000 0.000 4.216) 4.216 8.636 ( -0.000 -0.000 -0.590) 0.590 8.792 ( -0.000 -0.000 -1.655) 1.655 9.145 ( -0.000 -0.000 -1.446) 1.446 9.145 ( -0.000 -0.000 -1.446) 1.446 9.229 ( 0.000 0.000 6.389) 6.389 9.257 ( 0.000 0.000 2.758) 2.758 ======================= Grid point 380 (104/105) ======================= q-point: (-0.44 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.361 -0.012 0.000) 0.361 1.518 ( 1.818 -0.687 0.000) 1.943 1.543 ( -1.831 0.636 -0.000) 1.938 1.755 ( -1.910 -0.138 -0.000) 1.915 1.985 ( 5.206 -0.359 0.000) 5.218 2.033 ( -0.019 1.428 -0.000) 1.428 2.055 ( -2.056 -0.794 -0.000) 2.204 2.277 ( 4.262 0.674 0.000) 4.315 2.374 ( -0.732 -1.161 -0.000) 1.373 2.452 ( -7.136 0.418 -0.000) 7.148 2.707 ( 0.980 -1.487 0.000) 1.781 2.739 ( -3.413 1.411 -0.000) 3.693 3.285 ( -0.641 0.470 -0.000) 0.795 3.469 ( 6.316 2.203 0.000) 6.689 3.501 ( 3.499 -3.790 0.000) 5.158 3.684 ( 3.471 2.726 0.000) 4.413 3.806 ( -4.054 -2.338 -0.000) 4.680 3.936 ( -2.697 0.820 -0.000) 2.819 4.807 ( 12.682 -0.267 0.000) 12.685 4.909 ( 0.850 0.227 0.000) 0.880 5.266 ( -9.440 -0.022 -0.000) 9.440 6.100 ( 3.988 0.111 0.000) 3.989 6.152 ( -2.700 1.064 -0.000) 2.902 6.206 ( 0.303 -1.042 0.000) 1.085 6.453 ( 1.184 -1.565 0.000) 1.963 6.481 ( -2.396 1.321 -0.000) 2.737 6.730 ( 4.908 -2.109 0.000) 5.342 6.776 ( 5.931 2.256 0.000) 6.345 6.955 ( -1.422 3.969 -0.000) 4.216 6.977 ( -4.206 -3.956 -0.000) 5.774 7.341 ( -1.098 -0.273 -0.000) 1.131 7.467 ( -6.481 0.177 -0.000) 6.483 7.851 ( 0.890 -0.082 0.000) 0.893 7.978 ( 1.581 1.439 0.000) 2.138 8.013 ( -2.962 -1.445 -0.000) 3.296 8.247 ( -3.798 0.043 -0.000) 3.798 8.635 ( 1.318 0.216 0.000) 1.336 8.802 ( 3.753 -0.073 0.000) 3.754 9.029 ( 2.573 -0.123 0.000) 2.576 9.172 ( 2.588 0.071 0.000) 2.589 9.212 ( -0.578 0.430 -0.000) 0.721 9.257 ( -4.913 -0.417 -0.000) 4.930 ======================= Grid point 389 (105/105) ======================= q-point: (-0.44 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -0.000 -0.000 -0.376) 0.376 1.531 ( -0.000 -0.000 -0.092) 0.092 1.531 ( -0.000 -0.000 -0.092) 0.092 1.747 ( 0.000 0.000 1.088) 1.088 1.983 ( -0.000 -0.000 -5.327) 5.327 1.983 ( -0.000 -0.000 -5.327) 5.327 2.066 ( 0.000 0.000 2.198) 2.198 2.347 ( 0.000 0.000 0.804) 0.804 2.406 ( 0.000 0.000 4.915) 4.915 2.406 ( 0.000 0.000 4.915) 4.915 2.739 ( 0.000 0.000 3.703) 3.703 2.739 ( 0.000 0.000 3.703) 3.703 3.269 ( -0.000 -0.000 -0.879) 0.879 3.537 ( 0.000 0.000 1.249) 1.249 3.537 ( 0.000 0.000 1.249) 1.249 3.628 ( -0.000 -0.000 -7.146) 7.146 3.811 ( 0.000 0.000 1.560) 1.560 3.905 ( -0.000 -0.000 -1.237) 1.237 4.902 ( -0.000 -0.000 -1.791) 1.791 4.902 ( -0.000 -0.000 -1.791) 1.791 5.170 ( -0.000 -0.000 -1.514) 1.514 6.120 ( -0.000 -0.000 -1.008) 1.008 6.120 ( -0.000 -0.000 -1.008) 1.008 6.169 ( -0.000 -0.000 -6.555) 6.555 6.437 ( -0.000 -0.000 -3.373) 3.373 6.437 ( -0.000 -0.000 -3.373) 3.373 6.790 ( 0.000 0.000 0.513) 0.513 6.814 ( 0.000 0.000 0.401) 0.401 6.948 ( 0.000 0.000 0.974) 0.974 6.948 ( 0.000 0.000 0.974) 0.974 7.299 ( -0.000 -0.000 -3.440) 3.440 7.414 ( -0.000 -0.000 -1.623) 1.623 7.889 ( 0.000 0.000 4.058) 4.058 8.018 ( 0.000 0.000 3.747) 3.747 8.018 ( 0.000 0.000 3.747) 3.747 8.233 ( 0.000 0.000 2.085) 2.085 8.643 ( -0.000 -0.000 -0.094) 0.094 8.828 ( -0.000 -0.000 -0.775) 0.775 9.071 ( 0.000 0.000 3.782) 3.782 9.197 ( -0.000 -0.000 -1.508) 1.508 9.197 ( -0.000 -0.000 -1.508) 1.508 9.209 ( 0.000 0.000 0.961) 0.961 =================== 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 3/30618 10.0 152.391 152.391 151.473 -0.000 0.000 -0.000 3/30618 20.0 31.868 31.868 29.407 -0.000 0.000 -0.000 3/30618 30.0 14.109 14.109 13.101 -0.000 0.000 -0.000 3/30618 40.0 8.439 8.439 7.941 -0.000 0.000 -0.000 3/30618 50.0 5.874 5.874 5.564 -0.000 0.000 -0.000 3/30618 60.0 4.460 4.460 4.227 -0.000 0.000 -0.000 3/30618 70.0 3.579 3.579 3.385 -0.000 0.000 -0.000 3/30618 80.0 2.986 2.986 2.814 -0.000 0.000 -0.000 3/30618 90.0 2.562 2.562 2.406 -0.000 0.000 -0.000 3/30618 100.0 2.245 2.245 2.101 -0.000 0.000 -0.000 3/30618 110.0 1.999 1.999 1.865 -0.000 0.000 -0.000 3/30618 120.0 1.804 1.804 1.678 -0.000 0.000 -0.000 3/30618 130.0 1.645 1.645 1.526 -0.000 0.000 -0.000 3/30618 140.0 1.512 1.512 1.400 -0.000 0.000 -0.000 3/30618 150.0 1.400 1.400 1.294 -0.000 0.000 -0.000 3/30618 160.0 1.304 1.304 1.203 -0.000 0.000 -0.000 3/30618 170.0 1.221 1.221 1.125 -0.000 0.000 -0.000 3/30618 180.0 1.148 1.148 1.056 -0.000 0.000 -0.000 3/30618 190.0 1.084 1.084 0.996 -0.000 0.000 -0.000 3/30618 200.0 1.026 1.026 0.942 -0.000 0.000 -0.000 3/30618 210.0 0.975 0.975 0.894 -0.000 0.000 -0.000 3/30618 220.0 0.928 0.928 0.851 -0.000 0.000 -0.000 3/30618 230.0 0.886 0.886 0.812 -0.000 0.000 -0.000 3/30618 240.0 0.848 0.848 0.776 -0.000 0.000 -0.000 3/30618 250.0 0.813 0.813 0.744 -0.000 0.000 -0.000 3/30618 260.0 0.780 0.780 0.714 -0.000 0.000 -0.000 3/30618 270.0 0.751 0.751 0.686 -0.000 0.000 -0.000 3/30618 280.0 0.723 0.723 0.661 -0.000 0.000 -0.000 3/30618 290.0 0.698 0.698 0.637 -0.000 0.000 -0.000 3/30618 300.0 0.674 0.674 0.615 -0.000 0.000 -0.000 3/30618 310.0 0.652 0.652 0.595 -0.000 0.000 -0.000 3/30618 320.0 0.631 0.631 0.576 -0.000 0.000 -0.000 3/30618 330.0 0.611 0.611 0.558 -0.000 0.000 -0.000 3/30618 340.0 0.593 0.593 0.541 -0.000 0.000 -0.000 3/30618 350.0 0.576 0.576 0.525 -0.000 0.000 -0.000 3/30618 360.0 0.559 0.559 0.510 -0.000 0.000 -0.000 3/30618 370.0 0.544 0.544 0.496 -0.000 0.000 -0.000 3/30618 380.0 0.530 0.530 0.483 -0.000 0.000 -0.000 3/30618 390.0 0.516 0.516 0.470 -0.000 0.000 -0.000 3/30618 400.0 0.503 0.503 0.458 -0.000 0.000 -0.000 3/30618 410.0 0.490 0.490 0.447 -0.000 0.000 -0.000 3/30618 420.0 0.479 0.479 0.436 -0.000 0.000 -0.000 3/30618 430.0 0.467 0.467 0.426 -0.000 0.000 -0.000 3/30618 440.0 0.457 0.457 0.416 -0.000 0.000 -0.000 3/30618 450.0 0.446 0.446 0.407 -0.000 0.000 -0.000 3/30618 460.0 0.437 0.437 0.398 -0.000 0.000 -0.000 3/30618 470.0 0.427 0.427 0.389 -0.000 0.000 -0.000 3/30618 480.0 0.418 0.418 0.381 -0.000 0.000 -0.000 3/30618 490.0 0.410 0.410 0.373 -0.000 0.000 -0.000 3/30618 500.0 0.401 0.401 0.365 -0.000 0.000 -0.000 3/30618 510.0 0.393 0.393 0.358 -0.000 0.000 -0.000 3/30618 520.0 0.386 0.386 0.351 -0.000 0.000 -0.000 3/30618 530.0 0.379 0.379 0.344 -0.000 0.000 -0.000 3/30618 540.0 0.371 0.371 0.338 -0.000 0.000 -0.000 3/30618 550.0 0.365 0.365 0.332 -0.000 0.000 -0.000 3/30618 560.0 0.358 0.358 0.326 -0.000 0.000 -0.000 3/30618 570.0 0.352 0.352 0.320 -0.000 0.000 -0.000 3/30618 580.0 0.346 0.346 0.315 -0.000 0.000 -0.000 3/30618 590.0 0.340 0.340 0.309 -0.000 0.000 -0.000 3/30618 600.0 0.334 0.334 0.304 -0.000 0.000 -0.000 3/30618 610.0 0.329 0.329 0.299 -0.000 0.000 -0.000 3/30618 620.0 0.323 0.323 0.294 -0.000 0.000 -0.000 3/30618 630.0 0.318 0.318 0.289 -0.000 0.000 -0.000 3/30618 640.0 0.313 0.313 0.285 -0.000 0.000 -0.000 3/30618 650.0 0.308 0.308 0.280 -0.000 0.000 -0.000 3/30618 660.0 0.304 0.304 0.276 -0.000 0.000 -0.000 3/30618 670.0 0.299 0.299 0.272 -0.000 0.000 -0.000 3/30618 680.0 0.295 0.295 0.268 -0.000 0.000 -0.000 3/30618 690.0 0.290 0.290 0.264 -0.000 0.000 -0.000 3/30618 700.0 0.286 0.286 0.260 -0.000 0.000 -0.000 3/30618 710.0 0.282 0.282 0.257 -0.000 0.000 -0.000 3/30618 720.0 0.278 0.278 0.253 -0.000 0.000 -0.000 3/30618 730.0 0.274 0.274 0.250 -0.000 0.000 -0.000 3/30618 740.0 0.271 0.271 0.246 -0.000 0.000 -0.000 3/30618 750.0 0.267 0.267 0.243 -0.000 0.000 -0.000 3/30618 760.0 0.264 0.264 0.240 -0.000 0.000 -0.000 3/30618 770.0 0.260 0.260 0.237 -0.000 0.000 -0.000 3/30618 780.0 0.257 0.257 0.233 -0.000 0.000 -0.000 3/30618 790.0 0.254 0.254 0.231 -0.000 0.000 -0.000 3/30618 800.0 0.250 0.250 0.228 -0.000 0.000 -0.000 3/30618 810.0 0.247 0.247 0.225 -0.000 0.000 -0.000 3/30618 820.0 0.244 0.244 0.222 -0.000 0.000 -0.000 3/30618 830.0 0.241 0.241 0.219 -0.000 0.000 -0.000 3/30618 840.0 0.238 0.238 0.217 -0.000 0.000 -0.000 3/30618 850.0 0.236 0.236 0.214 -0.000 0.000 -0.000 3/30618 860.0 0.233 0.233 0.212 -0.000 0.000 -0.000 3/30618 870.0 0.230 0.230 0.209 -0.000 0.000 -0.000 3/30618 880.0 0.228 0.228 0.207 -0.000 0.000 -0.000 3/30618 890.0 0.225 0.225 0.205 -0.000 0.000 -0.000 3/30618 900.0 0.222 0.222 0.202 -0.000 0.000 -0.000 3/30618 910.0 0.220 0.220 0.200 -0.000 0.000 -0.000 3/30618 920.0 0.218 0.218 0.198 -0.000 0.000 -0.000 3/30618 930.0 0.215 0.215 0.196 -0.000 0.000 -0.000 3/30618 940.0 0.213 0.213 0.194 -0.000 0.000 -0.000 3/30618 950.0 0.211 0.211 0.192 -0.000 0.000 -0.000 3/30618 960.0 0.209 0.209 0.190 -0.000 0.000 -0.000 3/30618 970.0 0.206 0.206 0.188 -0.000 0.000 -0.000 3/30618 980.0 0.204 0.204 0.186 -0.000 0.000 -0.000 3/30618 990.0 0.202 0.202 0.184 -0.000 0.000 -0.000 3/30618 1000.0 0.200 0.200 0.182 -0.000 0.000 -0.000 3/30618 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 09:24:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|