----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:35:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.874099320028770 -4.836706185000000 0.000000000000000 b 2.874099320028770 4.836706185000000 0.000000000000000 c -0.063266863957257 0.000000000000000 5.937282053143551 Atomic positions (fractional): *1 Li 0.03540012787298 0.68532440793137 0.12614359129843 6.941 2 Li 0.68532440793137 0.03540012787298 0.12614359129843 6.941 3 Li 0.96459987212702 0.31467559206863 0.87385640870157 6.941 4 Li 0.31467559206863 0.96459987212702 0.87385640870157 6.941 *5 Ca 0.31504215722687 0.68495784277313 0.50000000000000 40.078 6 Ca 0.68495784277313 0.31504215722687 0.50000000000000 40.078 *7 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 *8 Si 0.88086037716534 0.88086037716534 0.66938264939307 28.085 9 Si 0.11913962283466 0.11913962283466 0.33061735060693 28.085 *10 N 0.36619675005750 0.06617848751408 0.20918714776664 14.007 *11 N 0.80498494354546 0.80498494354546 0.36600491319297 14.007 12 N 0.19501505645454 0.19501505645454 0.63399508680703 14.007 13 N 0.63380324994250 0.93382151248592 0.79081285223336 14.007 14 N 0.93382151248592 0.63380324994250 0.79081285223336 14.007 15 N 0.06617848751408 0.36619675005750 0.20918714776664 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.748198640057541 0.000000000000000 0.000000000000000 b 0.000000000000000 9.673412369999999 0.000000000000000 c -0.063266863957257 0.000000000000000 5.937282053143551 Atomic positions (fractional): *1 Li 0.36036226790218 0.32496214002920 0.12614359129843 6.941 > 1 2 Li 0.36036226790218 0.67503785997080 0.12614359129843 6.941 > 2 3 Li 0.63963773209782 0.67503785997080 0.87385640870157 6.941 > 3 4 Li 0.63963773209782 0.32496214002920 0.87385640870157 6.941 > 4 5 Li 0.86036226790218 0.82496214002920 0.12614359129843 6.941 > 1 6 Li 0.86036226790218 0.17503785997080 0.12614359129843 6.941 > 2 7 Li 0.13963773209782 0.17503785997080 0.87385640870157 6.941 > 3 8 Li 0.13963773209782 0.82496214002920 0.87385640870157 6.941 > 4 *9 Ca 0.50000000000000 0.18495784277313 0.50000000000000 40.078 > 5 10 Ca 0.50000000000000 0.81504215722687 0.50000000000000 40.078 > 6 *11 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 7 12 Ca 0.00000000000000 0.68495784277313 0.50000000000000 40.078 > 5 13 Ca 0.00000000000000 0.31504215722687 0.50000000000000 40.078 > 6 14 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 7 *15 Si 0.88086037716534 0.00000000000000 0.66938264939307 28.085 > 8 16 Si 0.11913962283466 0.00000000000000 0.33061735060693 28.085 > 9 17 Si 0.38086037716534 0.50000000000000 0.66938264939307 28.085 > 8 18 Si 0.61913962283466 0.50000000000000 0.33061735060693 28.085 > 9 *19 N 0.21618761878579 0.84999086872829 0.20918714776664 14.007 > 10 *20 N 0.80498494354546 0.00000000000000 0.36600491319297 14.007 > 11 21 N 0.19501505645454 0.00000000000000 0.63399508680703 14.007 > 12 22 N 0.78381238121421 0.15000913127171 0.79081285223336 14.007 > 13 23 N 0.78381238121421 0.84999086872829 0.79081285223336 14.007 > 14 24 N 0.21618761878579 0.15000913127171 0.20918714776664 14.007 > 15 25 N 0.71618761878579 0.34999086872829 0.20918714776664 14.007 > 10 26 N 0.30498494354546 0.50000000000000 0.36600491319297 14.007 > 11 27 N 0.69501505645454 0.50000000000000 0.63399508680703 14.007 > 12 28 N 0.28381238121421 0.65000913127171 0.79081285223336 14.007 > 13 29 N 0.28381238121421 0.34999086872829 0.79081285223336 14.007 > 14 30 N 0.71618761878579 0.65000913127171 0.20918714776664 14.007 > 15 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.496397280115081 0.000000000000000 0.000000000000000 b 0.000000000000000 9.673412369999999 0.000000000000000 c -0.126533727914514 0.000000000000000 11.874564106287101 Atomic positions (fractional): *1 Li 0.18018113395109 0.32496214002920 0.06307179564922 6.941 > 1 2 Li 0.68018113395109 0.32496214002920 0.06307179564922 6.941 > 1 3 Li 0.18018113395109 0.32496214002920 0.56307179564922 6.941 > 1 4 Li 0.68018113395109 0.32496214002920 0.56307179564922 6.941 > 1 5 Li 0.18018113395109 0.67503785997080 0.06307179564922 6.941 > 2 6 Li 0.68018113395109 0.67503785997080 0.06307179564922 6.941 > 2 7 Li 0.18018113395109 0.67503785997080 0.56307179564922 6.941 > 2 8 Li 0.68018113395109 0.67503785997080 0.56307179564922 6.941 > 2 9 Li 0.31981886604891 0.67503785997080 0.43692820435078 6.941 > 3 10 Li 0.81981886604891 0.67503785997080 0.43692820435078 6.941 > 3 11 Li 0.31981886604891 0.67503785997080 0.93692820435078 6.941 > 3 12 Li 0.81981886604891 0.67503785997080 0.93692820435078 6.941 > 3 13 Li 0.31981886604891 0.32496214002920 0.43692820435078 6.941 > 4 14 Li 0.81981886604891 0.32496214002920 0.43692820435078 6.941 > 4 15 Li 0.31981886604891 0.32496214002920 0.93692820435078 6.941 > 4 16 Li 0.81981886604891 0.32496214002920 0.93692820435078 6.941 > 4 17 Li 0.43018113395109 0.82496214002920 0.06307179564922 6.941 > 1 18 Li 0.93018113395109 0.82496214002920 0.06307179564922 6.941 > 1 19 Li 0.43018113395109 0.82496214002920 0.56307179564922 6.941 > 1 20 Li 0.93018113395109 0.82496214002920 0.56307179564922 6.941 > 1 21 Li 0.43018113395109 0.17503785997080 0.06307179564922 6.941 > 2 22 Li 0.93018113395109 0.17503785997080 0.06307179564922 6.941 > 2 23 Li 0.43018113395109 0.17503785997080 0.56307179564922 6.941 > 2 24 Li 0.93018113395109 0.17503785997080 0.56307179564922 6.941 > 2 25 Li 0.06981886604891 0.17503785997080 0.43692820435078 6.941 > 3 26 Li 0.56981886604891 0.17503785997080 0.43692820435078 6.941 > 3 27 Li 0.06981886604891 0.17503785997080 0.93692820435078 6.941 > 3 28 Li 0.56981886604891 0.17503785997080 0.93692820435078 6.941 > 3 29 Li 0.06981886604891 0.82496214002920 0.43692820435078 6.941 > 4 30 Li 0.56981886604891 0.82496214002920 0.43692820435078 6.941 > 4 31 Li 0.06981886604891 0.82496214002920 0.93692820435078 6.941 > 4 32 Li 0.56981886604891 0.82496214002920 0.93692820435078 6.941 > 4 *33 Ca 0.25000000000000 0.18495784277313 0.25000000000000 40.078 > 5 34 Ca 0.75000000000000 0.18495784277313 0.25000000000000 40.078 > 5 35 Ca 0.25000000000000 0.18495784277313 0.75000000000000 40.078 > 5 36 Ca 0.75000000000000 0.18495784277313 0.75000000000000 40.078 > 5 37 Ca 0.25000000000000 0.81504215722687 0.25000000000000 40.078 > 6 38 Ca 0.75000000000000 0.81504215722687 0.25000000000000 40.078 > 6 39 Ca 0.25000000000000 0.81504215722687 0.75000000000000 40.078 > 6 40 Ca 0.75000000000000 0.81504215722687 0.75000000000000 40.078 > 6 *41 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 7 42 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 7 43 Ca 0.25000000000000 0.00000000000000 0.50000000000000 40.078 > 7 44 Ca 0.75000000000000 0.00000000000000 0.50000000000000 40.078 > 7 45 Ca 0.00000000000000 0.68495784277313 0.25000000000000 40.078 > 5 46 Ca 0.50000000000000 0.68495784277313 0.25000000000000 40.078 > 5 47 Ca 0.00000000000000 0.68495784277313 0.75000000000000 40.078 > 5 48 Ca 0.50000000000000 0.68495784277313 0.75000000000000 40.078 > 5 49 Ca 0.00000000000000 0.31504215722687 0.25000000000000 40.078 > 6 50 Ca 0.50000000000000 0.31504215722687 0.25000000000000 40.078 > 6 51 Ca 0.00000000000000 0.31504215722687 0.75000000000000 40.078 > 6 52 Ca 0.50000000000000 0.31504215722687 0.75000000000000 40.078 > 6 53 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 7 54 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 7 55 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 7 56 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 7 *57 Si 0.44043018858267 0.00000000000000 0.33469132469654 28.085 > 8 58 Si 0.94043018858267 0.00000000000000 0.33469132469654 28.085 > 8 59 Si 0.44043018858267 0.00000000000000 0.83469132469654 28.085 > 8 60 Si 0.94043018858267 0.00000000000000 0.83469132469654 28.085 > 8 61 Si 0.05956981141733 0.00000000000000 0.16530867530346 28.085 > 9 62 Si 0.55956981141733 0.00000000000000 0.16530867530346 28.085 > 9 63 Si 0.05956981141733 0.00000000000000 0.66530867530346 28.085 > 9 64 Si 0.55956981141733 0.00000000000000 0.66530867530346 28.085 > 9 65 Si 0.19043018858267 0.50000000000000 0.33469132469654 28.085 > 8 66 Si 0.69043018858267 0.50000000000000 0.33469132469654 28.085 > 8 67 Si 0.19043018858267 0.50000000000000 0.83469132469654 28.085 > 8 68 Si 0.69043018858267 0.50000000000000 0.83469132469654 28.085 > 8 69 Si 0.30956981141733 0.50000000000000 0.16530867530346 28.085 > 9 70 Si 0.80956981141733 0.50000000000000 0.16530867530346 28.085 > 9 71 Si 0.30956981141733 0.50000000000000 0.66530867530346 28.085 > 9 72 Si 0.80956981141733 0.50000000000000 0.66530867530346 28.085 > 9 *73 N 0.10809380939289 0.84999086872829 0.10459357388332 14.007 > 10 74 N 0.60809380939290 0.84999086872829 0.10459357388332 14.007 > 10 75 N 0.10809380939289 0.84999086872829 0.60459357388332 14.007 > 10 76 N 0.60809380939290 0.84999086872829 0.60459357388332 14.007 > 10 *77 N 0.40249247177273 0.00000000000000 0.18300245659648 14.007 > 11 78 N 0.90249247177273 0.00000000000000 0.18300245659648 14.007 > 11 79 N 0.40249247177273 0.00000000000000 0.68300245659648 14.007 > 11 80 N 0.90249247177273 0.00000000000000 0.68300245659648 14.007 > 11 81 N 0.09750752822727 0.00000000000000 0.31699754340352 14.007 > 12 82 N 0.59750752822727 0.00000000000000 0.31699754340352 14.007 > 12 83 N 0.09750752822727 0.00000000000000 0.81699754340352 14.007 > 12 84 N 0.59750752822727 0.00000000000000 0.81699754340352 14.007 > 12 85 N 0.39190619060711 0.15000913127171 0.39540642611668 14.007 > 13 86 N 0.89190619060711 0.15000913127171 0.39540642611668 14.007 > 13 87 N 0.39190619060711 0.15000913127171 0.89540642611668 14.007 > 13 88 N 0.89190619060711 0.15000913127171 0.89540642611668 14.007 > 13 89 N 0.39190619060711 0.84999086872829 0.39540642611668 14.007 > 14 90 N 0.89190619060711 0.84999086872829 0.39540642611668 14.007 > 14 91 N 0.39190619060711 0.84999086872829 0.89540642611668 14.007 > 14 92 N 0.89190619060711 0.84999086872829 0.89540642611668 14.007 > 14 93 N 0.10809380939289 0.15000913127171 0.10459357388332 14.007 > 15 94 N 0.60809380939290 0.15000913127171 0.10459357388332 14.007 > 15 95 N 0.10809380939289 0.15000913127171 0.60459357388332 14.007 > 15 96 N 0.60809380939290 0.15000913127171 0.60459357388332 14.007 > 15 97 N 0.35809380939289 0.34999086872829 0.10459357388332 14.007 > 10 98 N 0.85809380939289 0.34999086872829 0.10459357388332 14.007 > 10 99 N 0.35809380939289 0.34999086872829 0.60459357388332 14.007 > 10 100 N 0.85809380939289 0.34999086872829 0.60459357388332 14.007 > 10 101 N 0.15249247177273 0.50000000000000 0.18300245659648 14.007 > 11 102 N 0.65249247177273 0.50000000000000 0.18300245659648 14.007 > 11 103 N 0.15249247177273 0.50000000000000 0.68300245659648 14.007 > 11 104 N 0.65249247177273 0.50000000000000 0.68300245659648 14.007 > 11 105 N 0.34750752822727 0.50000000000000 0.31699754340352 14.007 > 12 106 N 0.84750752822727 0.50000000000000 0.31699754340352 14.007 > 12 107 N 0.34750752822727 0.50000000000000 0.81699754340352 14.007 > 12 108 N 0.84750752822727 0.50000000000000 0.81699754340352 14.007 > 12 109 N 0.14190619060710 0.65000913127171 0.39540642611668 14.007 > 13 110 N 0.64190619060710 0.65000913127171 0.39540642611668 14.007 > 13 111 N 0.14190619060710 0.65000913127171 0.89540642611668 14.007 > 13 112 N 0.64190619060710 0.65000913127171 0.89540642611668 14.007 > 13 113 N 0.14190619060710 0.34999086872829 0.39540642611668 14.007 > 14 114 N 0.64190619060710 0.34999086872829 0.39540642611668 14.007 > 14 115 N 0.14190619060710 0.34999086872829 0.89540642611668 14.007 > 14 116 N 0.64190619060710 0.34999086872829 0.89540642611668 14.007 > 14 117 N 0.35809380939289 0.65000913127171 0.10459357388332 14.007 > 15 118 N 0.85809380939289 0.65000913127171 0.10459357388332 14.007 > 15 119 N 0.35809380939289 0.65000913127171 0.60459357388332 14.007 > 15 120 N 0.85809380939289 0.65000913127171 0.60459357388332 14.007 > 15 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1413805 0.0000000 -0.0803473 0.0000000 5.2571980 0.0000000 -0.0802749 0.0000000 4.8509638 -------------------------- Born effective charges -------------------------- 1 Li 0.8484462 0.1388576 0.1118137 0.1661825 0.9478170 -0.0145037 0.0458428 0.0486834 1.0046807 2 Li 0.8484462 -0.1388576 0.1118137 -0.1661825 0.9478170 0.0145037 0.0458428 -0.0486834 1.0046807 3 Li 0.8484462 0.1388576 0.1118137 0.1661825 0.9478170 -0.0145037 0.0458428 0.0486834 1.0046807 4 Li 0.8484462 -0.1388576 0.1118137 -0.1661825 0.9478170 0.0145037 0.0458428 -0.0486834 1.0046807 5 Ca 2.5372189 0.0000000 0.0934503 0.0000000 2.5072232 0.0000000 0.2346315 0.0000000 1.9417863 6 Ca 2.5372189 0.0000000 0.0934503 0.0000000 2.5072232 0.0000000 0.2346315 0.0000000 1.9417863 7 Ca 2.6883662 0.0000000 -0.1305698 0.0000000 2.2885006 0.0000000 -0.4240457 0.0000000 2.7994111 8 Si 2.4698482 0.0000000 -0.5961924 0.0000000 2.6316251 0.0000000 -0.4504242 0.0000000 2.4241097 9 Si 2.4698482 0.0000000 -0.5961924 0.0000000 2.6316251 0.0000000 -0.4504242 0.0000000 2.4241097 10 N -2.4327981 0.2275152 0.1818138 0.2781174 -2.9675032 -0.3302185 0.1816429 -0.1487264 -2.5137956 11 N -3.1825464 0.0000000 -0.0192280 0.0000000 -2.2437263 0.0000000 -0.0271558 0.0000000 -2.7473716 12 N -3.1825464 0.0000000 -0.0192280 0.0000000 -2.2437263 0.0000000 -0.0271558 0.0000000 -2.7473716 13 N -2.4327981 0.2275152 0.1818138 0.2781174 -2.9675032 -0.3302185 0.1816429 -0.1487264 -2.5137956 14 N -2.4327981 -0.2275152 0.1818138 -0.2781174 -2.9675032 0.3302185 0.1816429 0.1487264 -2.5137956 15 N -2.4327981 -0.2275152 0.1818138 -0.2781174 -2.9675032 0.3302185 0.1816429 0.1487264 -2.5137956 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 9450/9450 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2192 Number of blocks in projector: 2192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 506 Use submatrix version of eigh solver. (1) Block: 506 / 506 (2) Block: 250 / 506 (2) 239 eigenvectors found. (2) Block: 506 / 506 (2) 247 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 298 Use standard eigh solver. Tree of FC basis block matrices: - (2192, 2155), data: False |-- (298, 292), data: True |-- (298, 292), data: True |-- (298, 292), data: True |-- (396, 392), data: True |-- (396, 392), data: True |-- (506, 495), data: False |-- (506, 495), data: False |-- (506, 9), data: (506, 20) @ (20, 9) |-- (256, 247), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.749 Solver_block: 200 / 480 - Time: 0.693 Solver_block: 300 / 480 - Time: 0.686 Solver_block: 400 / 480 - Time: 0.699 Solver_block: 480 / 480 - Time: 0.578 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.487 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 9450/9450 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2192 Number of blocks in projector: 2192 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 506 Use submatrix version of eigh solver. (1) Block: 506 / 506 (2) Block: 250 / 506 (2) 239 eigenvectors found. (2) Block: 506 / 506 (2) 247 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 396 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 298 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 298 Use standard eigh solver. Tree of FC basis block matrices: - (2192, 2155), data: False |-- (298, 292), data: True |-- (298, 292), data: True |-- (298, 292), data: True |-- (396, 392), data: True |-- (396, 392), data: True |-- (506, 495), data: False |-- (506, 495), data: False |-- (506, 9), data: (506, 20) @ (20, 9) |-- (256, 247), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:36:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:36:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.874099320028770 -4.836706185000000 0.000000000000000 b 2.874099320028770 4.836706185000000 0.000000000000000 c -0.063266863957257 0.000000000000000 5.937282053143551 Atomic positions (fractional): 1 Li 0.03540012787298 0.68532440793137 0.12614359129843 6.941 2 Li 0.68532440793137 0.03540012787298 0.12614359129843 6.941 3 Li 0.96459987212702 0.31467559206863 0.87385640870157 6.941 4 Li 0.31467559206863 0.96459987212702 0.87385640870157 6.941 5 Ca 0.31504215722687 0.68495784277313 0.50000000000000 40.078 6 Ca 0.68495784277313 0.31504215722687 0.50000000000000 40.078 7 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 8 Si 0.88086037716534 0.88086037716534 0.66938264939307 28.085 9 Si 0.11913962283466 0.11913962283466 0.33061735060693 28.085 10 N 0.36619675005750 0.06617848751408 0.20918714776664 14.007 11 N 0.80498494354546 0.80498494354546 0.36600491319297 14.007 12 N 0.19501505645454 0.19501505645454 0.63399508680703 14.007 13 N 0.63380324994250 0.93382151248592 0.79081285223336 14.007 14 N 0.93382151248592 0.63380324994250 0.79081285223336 14.007 15 N 0.06617848751408 0.36619675005750 0.20918714776664 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.496397280115081 0.000000000000000 0.000000000000000 b 0.000000000000000 9.673412369999999 0.000000000000000 c -0.126533727914514 0.000000000000000 11.874564106287101 Atomic positions (fractional): 1 Li 0.18018113395109 0.32496214002920 0.06307179564922 6.941 > 1 2 Li 0.68018113395109 0.32496214002920 0.06307179564922 6.941 > 1 3 Li 0.18018113395109 0.32496214002920 0.56307179564922 6.941 > 1 4 Li 0.68018113395109 0.32496214002920 0.56307179564922 6.941 > 1 5 Li 0.18018113395109 0.67503785997080 0.06307179564922 6.941 > 5 6 Li 0.68018113395109 0.67503785997080 0.06307179564922 6.941 > 5 7 Li 0.18018113395109 0.67503785997080 0.56307179564922 6.941 > 5 8 Li 0.68018113395109 0.67503785997080 0.56307179564922 6.941 > 5 9 Li 0.31981886604891 0.67503785997080 0.43692820435078 6.941 > 9 10 Li 0.81981886604891 0.67503785997080 0.43692820435078 6.941 > 9 11 Li 0.31981886604891 0.67503785997080 0.93692820435078 6.941 > 9 12 Li 0.81981886604891 0.67503785997080 0.93692820435078 6.941 > 9 13 Li 0.31981886604891 0.32496214002920 0.43692820435078 6.941 > 13 14 Li 0.81981886604891 0.32496214002920 0.43692820435078 6.941 > 13 15 Li 0.31981886604891 0.32496214002920 0.93692820435078 6.941 > 13 16 Li 0.81981886604891 0.32496214002920 0.93692820435078 6.941 > 13 17 Li 0.43018113395109 0.82496214002920 0.06307179564922 6.941 > 1 18 Li 0.93018113395109 0.82496214002920 0.06307179564922 6.941 > 1 19 Li 0.43018113395109 0.82496214002920 0.56307179564922 6.941 > 1 20 Li 0.93018113395109 0.82496214002920 0.56307179564922 6.941 > 1 21 Li 0.43018113395109 0.17503785997080 0.06307179564922 6.941 > 5 22 Li 0.93018113395109 0.17503785997080 0.06307179564922 6.941 > 5 23 Li 0.43018113395109 0.17503785997080 0.56307179564922 6.941 > 5 24 Li 0.93018113395109 0.17503785997080 0.56307179564922 6.941 > 5 25 Li 0.06981886604891 0.17503785997080 0.43692820435078 6.941 > 9 26 Li 0.56981886604891 0.17503785997080 0.43692820435078 6.941 > 9 27 Li 0.06981886604891 0.17503785997080 0.93692820435078 6.941 > 9 28 Li 0.56981886604891 0.17503785997080 0.93692820435078 6.941 > 9 29 Li 0.06981886604891 0.82496214002920 0.43692820435078 6.941 > 13 30 Li 0.56981886604891 0.82496214002920 0.43692820435078 6.941 > 13 31 Li 0.06981886604891 0.82496214002920 0.93692820435078 6.941 > 13 32 Li 0.56981886604891 0.82496214002920 0.93692820435078 6.941 > 13 33 Ca 0.25000000000000 0.18495784277313 0.25000000000000 40.078 > 33 34 Ca 0.75000000000000 0.18495784277313 0.25000000000000 40.078 > 33 35 Ca 0.25000000000000 0.18495784277313 0.75000000000000 40.078 > 33 36 Ca 0.75000000000000 0.18495784277313 0.75000000000000 40.078 > 33 37 Ca 0.25000000000000 0.81504215722687 0.25000000000000 40.078 > 37 38 Ca 0.75000000000000 0.81504215722687 0.25000000000000 40.078 > 37 39 Ca 0.25000000000000 0.81504215722687 0.75000000000000 40.078 > 37 40 Ca 0.75000000000000 0.81504215722687 0.75000000000000 40.078 > 37 41 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 41 42 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 41 43 Ca 0.25000000000000 0.00000000000000 0.50000000000000 40.078 > 41 44 Ca 0.75000000000000 0.00000000000000 0.50000000000000 40.078 > 41 45 Ca 0.00000000000000 0.68495784277313 0.25000000000000 40.078 > 33 46 Ca 0.50000000000000 0.68495784277313 0.25000000000000 40.078 > 33 47 Ca 0.00000000000000 0.68495784277313 0.75000000000000 40.078 > 33 48 Ca 0.50000000000000 0.68495784277313 0.75000000000000 40.078 > 33 49 Ca 0.00000000000000 0.31504215722687 0.25000000000000 40.078 > 37 50 Ca 0.50000000000000 0.31504215722687 0.25000000000000 40.078 > 37 51 Ca 0.00000000000000 0.31504215722687 0.75000000000000 40.078 > 37 52 Ca 0.50000000000000 0.31504215722687 0.75000000000000 40.078 > 37 53 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 41 54 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 41 55 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 41 56 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 41 57 Si 0.44043018858267 0.00000000000000 0.33469132469654 28.085 > 57 58 Si 0.94043018858267 0.00000000000000 0.33469132469654 28.085 > 57 59 Si 0.44043018858267 0.00000000000000 0.83469132469654 28.085 > 57 60 Si 0.94043018858267 0.00000000000000 0.83469132469654 28.085 > 57 61 Si 0.05956981141733 0.00000000000000 0.16530867530346 28.085 > 61 62 Si 0.55956981141733 0.00000000000000 0.16530867530346 28.085 > 61 63 Si 0.05956981141733 0.00000000000000 0.66530867530346 28.085 > 61 64 Si 0.55956981141733 0.00000000000000 0.66530867530346 28.085 > 61 65 Si 0.19043018858267 0.50000000000000 0.33469132469654 28.085 > 57 66 Si 0.69043018858267 0.50000000000000 0.33469132469654 28.085 > 57 67 Si 0.19043018858267 0.50000000000000 0.83469132469654 28.085 > 57 68 Si 0.69043018858267 0.50000000000000 0.83469132469654 28.085 > 57 69 Si 0.30956981141733 0.50000000000000 0.16530867530346 28.085 > 61 70 Si 0.80956981141733 0.50000000000000 0.16530867530346 28.085 > 61 71 Si 0.30956981141733 0.50000000000000 0.66530867530346 28.085 > 61 72 Si 0.80956981141733 0.50000000000000 0.66530867530346 28.085 > 61 73 N 0.10809380939289 0.84999086872829 0.10459357388332 14.007 > 73 74 N 0.60809380939290 0.84999086872829 0.10459357388332 14.007 > 73 75 N 0.10809380939289 0.84999086872829 0.60459357388332 14.007 > 73 76 N 0.60809380939290 0.84999086872829 0.60459357388332 14.007 > 73 77 N 0.40249247177273 0.00000000000000 0.18300245659648 14.007 > 77 78 N 0.90249247177273 0.00000000000000 0.18300245659648 14.007 > 77 79 N 0.40249247177273 0.00000000000000 0.68300245659648 14.007 > 77 80 N 0.90249247177273 0.00000000000000 0.68300245659648 14.007 > 77 81 N 0.09750752822727 0.00000000000000 0.31699754340352 14.007 > 81 82 N 0.59750752822727 0.00000000000000 0.31699754340352 14.007 > 81 83 N 0.09750752822727 0.00000000000000 0.81699754340352 14.007 > 81 84 N 0.59750752822727 0.00000000000000 0.81699754340352 14.007 > 81 85 N 0.39190619060711 0.15000913127171 0.39540642611668 14.007 > 85 86 N 0.89190619060711 0.15000913127171 0.39540642611668 14.007 > 85 87 N 0.39190619060711 0.15000913127171 0.89540642611668 14.007 > 85 88 N 0.89190619060711 0.15000913127171 0.89540642611668 14.007 > 85 89 N 0.39190619060711 0.84999086872829 0.39540642611668 14.007 > 89 90 N 0.89190619060711 0.84999086872829 0.39540642611668 14.007 > 89 91 N 0.39190619060711 0.84999086872829 0.89540642611668 14.007 > 89 92 N 0.89190619060711 0.84999086872829 0.89540642611668 14.007 > 89 93 N 0.10809380939289 0.15000913127171 0.10459357388332 14.007 > 93 94 N 0.60809380939290 0.15000913127171 0.10459357388332 14.007 > 93 95 N 0.10809380939289 0.15000913127171 0.60459357388332 14.007 > 93 96 N 0.60809380939290 0.15000913127171 0.60459357388332 14.007 > 93 97 N 0.35809380939289 0.34999086872829 0.10459357388332 14.007 > 73 98 N 0.85809380939289 0.34999086872829 0.10459357388332 14.007 > 73 99 N 0.35809380939289 0.34999086872829 0.60459357388332 14.007 > 73 100 N 0.85809380939289 0.34999086872829 0.60459357388332 14.007 > 73 101 N 0.15249247177273 0.50000000000000 0.18300245659648 14.007 > 77 102 N 0.65249247177273 0.50000000000000 0.18300245659648 14.007 > 77 103 N 0.15249247177273 0.50000000000000 0.68300245659648 14.007 > 77 104 N 0.65249247177273 0.50000000000000 0.68300245659648 14.007 > 77 105 N 0.34750752822727 0.50000000000000 0.31699754340352 14.007 > 81 106 N 0.84750752822727 0.50000000000000 0.31699754340352 14.007 > 81 107 N 0.34750752822727 0.50000000000000 0.81699754340352 14.007 > 81 108 N 0.84750752822727 0.50000000000000 0.81699754340352 14.007 > 81 109 N 0.14190619060710 0.65000913127171 0.39540642611668 14.007 > 85 110 N 0.64190619060710 0.65000913127171 0.39540642611668 14.007 > 85 111 N 0.14190619060710 0.65000913127171 0.89540642611668 14.007 > 85 112 N 0.64190619060710 0.65000913127171 0.89540642611668 14.007 > 85 113 N 0.14190619060710 0.34999086872829 0.39540642611668 14.007 > 89 114 N 0.64190619060710 0.34999086872829 0.39540642611668 14.007 > 89 115 N 0.14190619060710 0.34999086872829 0.89540642611668 14.007 > 89 116 N 0.64190619060710 0.34999086872829 0.89540642611668 14.007 > 89 117 N 0.35809380939289 0.65000913127171 0.10459357388332 14.007 > 93 118 N 0.85809380939289 0.65000913127171 0.10459357388332 14.007 > 93 119 N 0.35809380939289 0.65000913127171 0.60459357388332 14.007 > 93 120 N 0.85809380939289 0.65000913127171 0.60459357388332 14.007 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1413805 0.0000000 -0.0803473 0.0000000 5.2571980 0.0000000 -0.0802749 0.0000000 4.8509638 -------------------------- Born effective charges -------------------------- 1 Li 0.8484462 0.1388576 0.1118137 0.1661825 0.9478170 -0.0145037 0.0458428 0.0486834 1.0046807 2 Li 0.8484462 -0.1388576 0.1118137 -0.1661825 0.9478170 0.0145037 0.0458428 -0.0486834 1.0046807 3 Li 0.8484462 0.1388576 0.1118137 0.1661825 0.9478170 -0.0145037 0.0458428 0.0486834 1.0046807 4 Li 0.8484462 -0.1388576 0.1118137 -0.1661825 0.9478170 0.0145037 0.0458428 -0.0486834 1.0046807 5 Ca 2.5372189 0.0000000 0.0934503 0.0000000 2.5072232 0.0000000 0.2346315 0.0000000 1.9417863 6 Ca 2.5372189 0.0000000 0.0934503 0.0000000 2.5072232 0.0000000 0.2346315 0.0000000 1.9417863 7 Ca 2.6883662 0.0000000 -0.1305698 0.0000000 2.2885006 0.0000000 -0.4240457 0.0000000 2.7994111 8 Si 2.4698482 0.0000000 -0.5961924 0.0000000 2.6316251 0.0000000 -0.4504242 0.0000000 2.4241097 9 Si 2.4698482 0.0000000 -0.5961924 0.0000000 2.6316251 0.0000000 -0.4504242 0.0000000 2.4241097 10 N -2.4327981 0.2275152 0.1818138 0.2781174 -2.9675032 -0.3302185 0.1816429 -0.1487264 -2.5137956 11 N -3.1825464 0.0000000 -0.0192280 0.0000000 -2.2437263 0.0000000 -0.0271558 0.0000000 -2.7473716 12 N -3.1825464 0.0000000 -0.0192280 0.0000000 -2.2437263 0.0000000 -0.0271558 0.0000000 -2.7473716 13 N -2.4327981 0.2275152 0.1818138 0.2781174 -2.9675032 -0.3302185 0.1816429 -0.1487264 -2.5137956 14 N -2.4327981 -0.2275152 0.1818138 -0.2781174 -2.9675032 0.3302185 0.1816429 0.1487264 -2.5137956 15 N -2.4327981 -0.2275152 0.1818138 -0.2781174 -2.9675032 0.3302185 0.1816429 0.1487264 -2.5137956 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 41, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 77, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) 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 17:36:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:36:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.874099320028770 -4.836706185000000 0.000000000000000 b 2.874099320028770 4.836706185000000 0.000000000000000 c -0.063266863957257 0.000000000000000 5.937282053143551 Atomic positions (fractional): 1 Li 0.03540012787298 0.68532440793137 0.12614359129843 6.941 2 Li 0.68532440793137 0.03540012787298 0.12614359129843 6.941 3 Li 0.96459987212702 0.31467559206863 0.87385640870157 6.941 4 Li 0.31467559206863 0.96459987212702 0.87385640870157 6.941 5 Ca 0.31504215722687 0.68495784277313 0.50000000000000 40.078 6 Ca 0.68495784277313 0.31504215722687 0.50000000000000 40.078 7 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 8 Si 0.88086037716534 0.88086037716534 0.66938264939307 28.085 9 Si 0.11913962283466 0.11913962283466 0.33061735060693 28.085 10 N 0.36619675005750 0.06617848751408 0.20918714776664 14.007 11 N 0.80498494354546 0.80498494354546 0.36600491319297 14.007 12 N 0.19501505645454 0.19501505645454 0.63399508680703 14.007 13 N 0.63380324994250 0.93382151248592 0.79081285223336 14.007 14 N 0.93382151248592 0.63380324994250 0.79081285223336 14.007 15 N 0.06617848751408 0.36619675005750 0.20918714776664 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.496397280115081 0.000000000000000 0.000000000000000 b 0.000000000000000 9.673412369999999 0.000000000000000 c -0.126533727914514 0.000000000000000 11.874564106287101 Atomic positions (fractional): 1 Li 0.18018113395109 0.32496214002920 0.06307179564922 6.941 > 1 2 Li 0.68018113395109 0.32496214002920 0.06307179564922 6.941 > 1 3 Li 0.18018113395109 0.32496214002920 0.56307179564922 6.941 > 1 4 Li 0.68018113395109 0.32496214002920 0.56307179564922 6.941 > 1 5 Li 0.18018113395109 0.67503785997080 0.06307179564922 6.941 > 5 6 Li 0.68018113395109 0.67503785997080 0.06307179564922 6.941 > 5 7 Li 0.18018113395109 0.67503785997080 0.56307179564922 6.941 > 5 8 Li 0.68018113395109 0.67503785997080 0.56307179564922 6.941 > 5 9 Li 0.31981886604891 0.67503785997080 0.43692820435078 6.941 > 9 10 Li 0.81981886604891 0.67503785997080 0.43692820435078 6.941 > 9 11 Li 0.31981886604891 0.67503785997080 0.93692820435078 6.941 > 9 12 Li 0.81981886604891 0.67503785997080 0.93692820435078 6.941 > 9 13 Li 0.31981886604891 0.32496214002920 0.43692820435078 6.941 > 13 14 Li 0.81981886604891 0.32496214002920 0.43692820435078 6.941 > 13 15 Li 0.31981886604891 0.32496214002920 0.93692820435078 6.941 > 13 16 Li 0.81981886604891 0.32496214002920 0.93692820435078 6.941 > 13 17 Li 0.43018113395109 0.82496214002920 0.06307179564922 6.941 > 1 18 Li 0.93018113395109 0.82496214002920 0.06307179564922 6.941 > 1 19 Li 0.43018113395109 0.82496214002920 0.56307179564922 6.941 > 1 20 Li 0.93018113395109 0.82496214002920 0.56307179564922 6.941 > 1 21 Li 0.43018113395109 0.17503785997080 0.06307179564922 6.941 > 5 22 Li 0.93018113395109 0.17503785997080 0.06307179564922 6.941 > 5 23 Li 0.43018113395109 0.17503785997080 0.56307179564922 6.941 > 5 24 Li 0.93018113395109 0.17503785997080 0.56307179564922 6.941 > 5 25 Li 0.06981886604891 0.17503785997080 0.43692820435078 6.941 > 9 26 Li 0.56981886604891 0.17503785997080 0.43692820435078 6.941 > 9 27 Li 0.06981886604891 0.17503785997080 0.93692820435078 6.941 > 9 28 Li 0.56981886604891 0.17503785997080 0.93692820435078 6.941 > 9 29 Li 0.06981886604891 0.82496214002920 0.43692820435078 6.941 > 13 30 Li 0.56981886604891 0.82496214002920 0.43692820435078 6.941 > 13 31 Li 0.06981886604891 0.82496214002920 0.93692820435078 6.941 > 13 32 Li 0.56981886604891 0.82496214002920 0.93692820435078 6.941 > 13 33 Ca 0.25000000000000 0.18495784277313 0.25000000000000 40.078 > 33 34 Ca 0.75000000000000 0.18495784277313 0.25000000000000 40.078 > 33 35 Ca 0.25000000000000 0.18495784277313 0.75000000000000 40.078 > 33 36 Ca 0.75000000000000 0.18495784277313 0.75000000000000 40.078 > 33 37 Ca 0.25000000000000 0.81504215722687 0.25000000000000 40.078 > 37 38 Ca 0.75000000000000 0.81504215722687 0.25000000000000 40.078 > 37 39 Ca 0.25000000000000 0.81504215722687 0.75000000000000 40.078 > 37 40 Ca 0.75000000000000 0.81504215722687 0.75000000000000 40.078 > 37 41 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 41 42 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 41 43 Ca 0.25000000000000 0.00000000000000 0.50000000000000 40.078 > 41 44 Ca 0.75000000000000 0.00000000000000 0.50000000000000 40.078 > 41 45 Ca 0.00000000000000 0.68495784277313 0.25000000000000 40.078 > 33 46 Ca 0.50000000000000 0.68495784277313 0.25000000000000 40.078 > 33 47 Ca 0.00000000000000 0.68495784277313 0.75000000000000 40.078 > 33 48 Ca 0.50000000000000 0.68495784277313 0.75000000000000 40.078 > 33 49 Ca 0.00000000000000 0.31504215722687 0.25000000000000 40.078 > 37 50 Ca 0.50000000000000 0.31504215722687 0.25000000000000 40.078 > 37 51 Ca 0.00000000000000 0.31504215722687 0.75000000000000 40.078 > 37 52 Ca 0.50000000000000 0.31504215722687 0.75000000000000 40.078 > 37 53 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 41 54 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 41 55 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 41 56 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 41 57 Si 0.44043018858267 0.00000000000000 0.33469132469654 28.085 > 57 58 Si 0.94043018858267 0.00000000000000 0.33469132469654 28.085 > 57 59 Si 0.44043018858267 0.00000000000000 0.83469132469654 28.085 > 57 60 Si 0.94043018858267 0.00000000000000 0.83469132469654 28.085 > 57 61 Si 0.05956981141733 0.00000000000000 0.16530867530346 28.085 > 61 62 Si 0.55956981141733 0.00000000000000 0.16530867530346 28.085 > 61 63 Si 0.05956981141733 0.00000000000000 0.66530867530346 28.085 > 61 64 Si 0.55956981141733 0.00000000000000 0.66530867530346 28.085 > 61 65 Si 0.19043018858267 0.50000000000000 0.33469132469654 28.085 > 57 66 Si 0.69043018858267 0.50000000000000 0.33469132469654 28.085 > 57 67 Si 0.19043018858267 0.50000000000000 0.83469132469654 28.085 > 57 68 Si 0.69043018858267 0.50000000000000 0.83469132469654 28.085 > 57 69 Si 0.30956981141733 0.50000000000000 0.16530867530346 28.085 > 61 70 Si 0.80956981141733 0.50000000000000 0.16530867530346 28.085 > 61 71 Si 0.30956981141733 0.50000000000000 0.66530867530346 28.085 > 61 72 Si 0.80956981141733 0.50000000000000 0.66530867530346 28.085 > 61 73 N 0.10809380939289 0.84999086872829 0.10459357388332 14.007 > 73 74 N 0.60809380939290 0.84999086872829 0.10459357388332 14.007 > 73 75 N 0.10809380939289 0.84999086872829 0.60459357388332 14.007 > 73 76 N 0.60809380939290 0.84999086872829 0.60459357388332 14.007 > 73 77 N 0.40249247177273 0.00000000000000 0.18300245659648 14.007 > 77 78 N 0.90249247177273 0.00000000000000 0.18300245659648 14.007 > 77 79 N 0.40249247177273 0.00000000000000 0.68300245659648 14.007 > 77 80 N 0.90249247177273 0.00000000000000 0.68300245659648 14.007 > 77 81 N 0.09750752822727 0.00000000000000 0.31699754340352 14.007 > 81 82 N 0.59750752822727 0.00000000000000 0.31699754340352 14.007 > 81 83 N 0.09750752822727 0.00000000000000 0.81699754340352 14.007 > 81 84 N 0.59750752822727 0.00000000000000 0.81699754340352 14.007 > 81 85 N 0.39190619060711 0.15000913127171 0.39540642611668 14.007 > 85 86 N 0.89190619060711 0.15000913127171 0.39540642611668 14.007 > 85 87 N 0.39190619060711 0.15000913127171 0.89540642611668 14.007 > 85 88 N 0.89190619060711 0.15000913127171 0.89540642611668 14.007 > 85 89 N 0.39190619060711 0.84999086872829 0.39540642611668 14.007 > 89 90 N 0.89190619060711 0.84999086872829 0.39540642611668 14.007 > 89 91 N 0.39190619060711 0.84999086872829 0.89540642611668 14.007 > 89 92 N 0.89190619060711 0.84999086872829 0.89540642611668 14.007 > 89 93 N 0.10809380939289 0.15000913127171 0.10459357388332 14.007 > 93 94 N 0.60809380939290 0.15000913127171 0.10459357388332 14.007 > 93 95 N 0.10809380939289 0.15000913127171 0.60459357388332 14.007 > 93 96 N 0.60809380939290 0.15000913127171 0.60459357388332 14.007 > 93 97 N 0.35809380939289 0.34999086872829 0.10459357388332 14.007 > 73 98 N 0.85809380939289 0.34999086872829 0.10459357388332 14.007 > 73 99 N 0.35809380939289 0.34999086872829 0.60459357388332 14.007 > 73 100 N 0.85809380939289 0.34999086872829 0.60459357388332 14.007 > 73 101 N 0.15249247177273 0.50000000000000 0.18300245659648 14.007 > 77 102 N 0.65249247177273 0.50000000000000 0.18300245659648 14.007 > 77 103 N 0.15249247177273 0.50000000000000 0.68300245659648 14.007 > 77 104 N 0.65249247177273 0.50000000000000 0.68300245659648 14.007 > 77 105 N 0.34750752822727 0.50000000000000 0.31699754340352 14.007 > 81 106 N 0.84750752822727 0.50000000000000 0.31699754340352 14.007 > 81 107 N 0.34750752822727 0.50000000000000 0.81699754340352 14.007 > 81 108 N 0.84750752822727 0.50000000000000 0.81699754340352 14.007 > 81 109 N 0.14190619060710 0.65000913127171 0.39540642611668 14.007 > 85 110 N 0.64190619060710 0.65000913127171 0.39540642611668 14.007 > 85 111 N 0.14190619060710 0.65000913127171 0.89540642611668 14.007 > 85 112 N 0.64190619060710 0.65000913127171 0.89540642611668 14.007 > 85 113 N 0.14190619060710 0.34999086872829 0.39540642611668 14.007 > 89 114 N 0.64190619060710 0.34999086872829 0.39540642611668 14.007 > 89 115 N 0.14190619060710 0.34999086872829 0.89540642611668 14.007 > 89 116 N 0.64190619060710 0.34999086872829 0.89540642611668 14.007 > 89 117 N 0.35809380939289 0.65000913127171 0.10459357388332 14.007 > 93 118 N 0.85809380939289 0.65000913127171 0.10459357388332 14.007 > 93 119 N 0.35809380939289 0.65000913127171 0.60459357388332 14.007 > 93 120 N 0.85809380939289 0.65000913127171 0.60459357388332 14.007 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1413805 0.0000000 -0.0803473 0.0000000 5.2571980 0.0000000 -0.0802749 0.0000000 4.8509638 -------------------------- Born effective charges -------------------------- 1 Li 0.8484462 0.1388576 0.1118137 0.1661825 0.9478170 -0.0145037 0.0458428 0.0486834 1.0046807 2 Li 0.8484462 -0.1388576 0.1118137 -0.1661825 0.9478170 0.0145037 0.0458428 -0.0486834 1.0046807 3 Li 0.8484462 0.1388576 0.1118137 0.1661825 0.9478170 -0.0145037 0.0458428 0.0486834 1.0046807 4 Li 0.8484462 -0.1388576 0.1118137 -0.1661825 0.9478170 0.0145037 0.0458428 -0.0486834 1.0046807 5 Ca 2.5372189 0.0000000 0.0934503 0.0000000 2.5072232 0.0000000 0.2346315 0.0000000 1.9417863 6 Ca 2.5372189 0.0000000 0.0934503 0.0000000 2.5072232 0.0000000 0.2346315 0.0000000 1.9417863 7 Ca 2.6883662 0.0000000 -0.1305698 0.0000000 2.2885006 0.0000000 -0.4240457 0.0000000 2.7994111 8 Si 2.4698482 0.0000000 -0.5961924 0.0000000 2.6316251 0.0000000 -0.4504242 0.0000000 2.4241097 9 Si 2.4698482 0.0000000 -0.5961924 0.0000000 2.6316251 0.0000000 -0.4504242 0.0000000 2.4241097 10 N -2.4327981 0.2275152 0.1818138 0.2781174 -2.9675032 -0.3302185 0.1816429 -0.1487264 -2.5137956 11 N -3.1825464 0.0000000 -0.0192280 0.0000000 -2.2437263 0.0000000 -0.0271558 0.0000000 -2.7473716 12 N -3.1825464 0.0000000 -0.0192280 0.0000000 -2.2437263 0.0000000 -0.0271558 0.0000000 -2.7473716 13 N -2.4327981 0.2275152 0.1818138 0.2781174 -2.9675032 -0.3302185 0.1816429 -0.1487264 -2.5137956 14 N -2.4327981 -0.2275152 0.1818138 -0.2781174 -2.9675032 0.3302185 0.1816429 0.1487264 -2.5137956 15 N -2.4327981 -0.2275152 0.1818138 -0.2781174 -2.9675032 0.3302185 0.1816429 0.1487264 -2.5137956 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yxy) 0.00000002 (yxy) 0.00000002 (yyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 8 ] 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: 0.76, Number of G-points: 309, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/227) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 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 2.392 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.238 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 7.680 ( 0.000 0.000 0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 9.769 ( 0.000 0.000 0.000) 0.000 10.386 ( 0.000 0.000 0.000) 0.000 11.295 ( 0.000 0.000 0.000) 0.000 11.847 ( 0.000 0.000 0.000) 0.000 12.058 ( 0.000 0.000 0.000) 0.000 12.830 ( 0.000 0.000 0.000) 0.000 13.020 ( 0.000 0.000 0.000) 0.000 13.088 ( 0.000 0.000 0.000) 0.000 13.459 ( 0.000 0.000 0.000) 0.000 13.528 ( 0.000 0.000 0.000) 0.000 13.898 ( 0.000 0.000 0.000) 0.000 14.218 ( 0.000 0.000 0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.218 ( 0.000 0.000 0.000) 0.000 15.613 ( 0.000 0.000 0.000) 0.000 15.688 ( 0.000 0.000 0.000) 0.000 15.964 ( 0.000 0.000 0.000) 0.000 16.859 ( 0.000 0.000 0.000) 0.000 16.981 ( 0.000 0.000 0.000) 0.000 17.251 ( 0.000 0.000 0.000) 0.000 17.833 ( 0.000 0.000 0.000) 0.000 18.504 ( 0.000 0.000 0.000) 0.000 19.371 ( 0.000 0.000 0.000) 0.000 19.950 ( 0.000 0.000 0.000) 0.000 20.144 ( 0.000 0.000 0.000) 0.000 24.810 ( 0.000 0.000 0.000) 0.000 25.934 ( 0.000 0.000 0.000) 0.000 26.472 ( 0.000 0.000 0.000) 0.000 26.504 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/227) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 44.064 -9.277 0.996) 45.041 1.085 ( 45.334 -25.191 -24.983) 57.567 1.706 ( 67.382 -48.119 2.035) 82.825 2.572 ( 16.669 1.195 18.322) 24.799 4.407 ( -17.797 -16.998 4.128) 24.954 4.528 ( -13.024 -5.847 -0.543) 14.286 5.040 ( 6.575 0.156 -5.291) 8.441 5.225 ( -4.668 -17.666 5.274) 19.018 6.033 ( 3.083 0.378 7.106) 7.755 6.263 ( 4.015 -16.625 4.329) 17.642 7.568 ( -3.741 6.123 -43.486) 44.074 7.588 ( -3.741 5.300 -34.631) 35.234 7.832 ( -1.450 3.963 -1.971) 4.658 8.598 ( -4.123 8.356 -1.445) 9.429 8.689 ( -1.932 -1.889 -0.021) 2.702 9.342 ( 17.081 10.208 8.380) 21.592 9.760 ( -4.403 12.024 19.646) 23.450 10.359 ( -7.627 -5.984 6.624) 11.742 11.170 ( -9.676 5.955 2.832) 11.709 11.925 ( -12.898 -13.305 -8.979) 20.591 12.138 ( 1.923 -5.542 10.444) 11.979 12.757 ( -0.376 15.091 6.069) 16.270 13.066 ( -5.567 -9.226 6.078) 12.371 13.264 ( 0.810 12.368 -18.546) 22.306 13.596 ( 3.463 -6.450 -0.878) 7.373 13.760 ( -4.536 -8.129 -21.263) 23.211 14.015 ( 9.750 0.181 -17.908) 20.391 15.076 ( -10.744 -0.299 -4.472) 11.641 15.121 ( -2.124 4.513 7.103) 8.679 15.166 ( -0.366 23.367 47.309) 52.767 15.539 ( -7.652 -1.044 11.327) 13.709 15.862 ( 6.973 -4.809 12.820) 15.366 16.012 ( 3.784 -2.425 10.115) 11.068 16.909 ( 8.045 7.055 -8.489) 13.658 17.013 ( 1.812 -1.796 -7.387) 7.815 17.216 ( -2.188 0.714 3.191) 3.935 17.765 ( -1.078 9.915 -2.663) 10.323 18.541 ( -3.032 -10.155 1.968) 10.779 19.366 ( -1.112 0.871 -6.582) 6.732 19.999 ( 4.239 -1.989 1.369) 4.879 21.837 ( 61.172 93.450 28.857) 115.359 25.046 ( 17.974 31.709 -26.391) 45.000 26.499 ( -1.265 -1.702 -0.216) 2.132 26.519 ( 4.742 -0.366 1.113) 4.885 27.273 ( -65.283 -109.644 -27.348) 130.505 ======================= Grid point 2 (3/227) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 30.735 -1.870 2.182) 30.869 2.044 ( 37.347 -20.443 -17.860) 46.170 3.038 ( 33.681 -10.325 6.021) 35.739 3.304 ( 61.454 -37.769 5.941) 72.377 4.249 ( -11.560 -4.305 3.353) 12.783 4.396 ( -7.001 -3.828 -4.256) 9.043 5.138 ( 1.461 -7.077 -2.287) 7.579 5.352 ( 0.575 -11.882 1.966) 12.057 6.154 ( 11.241 1.752 1.099) 11.430 6.505 ( 5.212 -11.872 -1.528) 13.056 7.369 ( -9.017 4.827 -4.349) 11.114 7.452 ( -9.379 0.992 -30.097) 31.540 7.731 ( -2.698 7.661 -1.538) 8.266 8.407 ( -8.031 6.513 -3.035) 10.776 8.635 ( -5.780 1.387 1.353) 6.096 9.487 ( 0.269 8.196 17.413) 19.247 9.632 ( 4.287 -5.520 -4.491) 8.308 10.228 ( -15.179 -6.983 8.798) 18.883 10.897 ( -12.385 6.716 3.851) 14.605 11.851 ( -7.435 -7.009 -10.929) 14.961 12.224 ( 5.662 2.100 11.248) 12.767 12.500 ( -8.009 19.876 4.819) 21.963 13.090 ( -1.407 -5.087 12.885) 13.924 13.161 ( -2.326 4.407 -10.067) 11.233 13.642 ( -6.864 -10.898 -10.158) 16.403 13.835 ( 6.311 0.217 0.297) 6.322 14.138 ( 10.260 11.127 -10.931) 18.670 14.805 ( -13.713 13.108 9.502) 21.217 14.937 ( -8.281 -2.052 1.763) 8.711 15.061 ( -1.985 1.690 0.696) 2.698 15.414 ( -7.379 -0.784 14.293) 16.105 16.004 ( 7.933 2.652 16.023) 18.075 16.165 ( 7.062 -6.244 -0.188) 9.428 16.935 ( -0.243 6.181 -7.817) 9.969 16.985 ( 2.444 9.089 -3.315) 9.979 17.261 ( 4.017 -5.436 -6.480) 9.364 17.627 ( -0.329 12.684 -3.231) 13.093 18.591 ( -4.478 -11.371 1.296) 12.289 19.331 ( -1.469 1.052 -2.999) 3.501 20.126 ( 6.507 -3.621 1.824) 7.667 21.968 ( 32.424 40.546 9.884) 52.849 25.021 ( 7.577 15.247 -10.545) 20.027 26.490 ( -2.627 -3.258 0.455) 4.210 26.638 ( 8.637 0.947 0.994) 8.746 27.263 ( -31.819 -52.447 -10.638) 62.260 ======================= Grid point 3 (4/227) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 15.566 4.639 2.761) 16.476 2.788 ( 27.567 -13.732 -7.145) 31.615 3.821 ( 33.896 -13.814 2.224) 36.671 4.155 ( -0.067 -6.581 1.890) 6.847 4.374 ( 0.737 -2.806 -5.758) 6.448 4.548 ( 37.875 -23.602 6.498) 45.098 5.283 ( 9.579 -2.855 -7.177) 12.305 5.490 ( 5.209 -10.073 1.192) 11.403 6.364 ( 13.097 0.157 -0.556) 13.110 6.643 ( -0.181 -5.495 -6.417) 8.450 7.200 ( -11.647 -4.343 -6.267) 13.921 7.230 ( -11.050 1.318 -8.556) 14.037 7.611 ( -0.066 8.789 0.315) 8.794 8.202 ( -9.268 3.463 -2.654) 10.244 8.446 ( -12.305 3.955 2.977) 13.263 9.389 ( -4.838 -5.243 12.313) 14.230 9.826 ( 7.069 -0.305 -8.063) 10.727 10.010 ( -15.306 -6.943 8.773) 18.959 10.660 ( -8.432 2.406 4.371) 9.798 11.786 ( -8.277 -2.425 -12.433) 15.132 12.115 ( -9.745 18.313 3.989) 21.125 12.292 ( 6.427 5.904 11.004) 14.044 13.010 ( -3.871 7.624 -0.982) 8.607 13.175 ( 1.401 -3.768 12.928) 13.539 13.629 ( -6.315 -9.990 -11.151) 16.249 13.875 ( 1.253 6.828 -0.339) 6.950 14.180 ( 10.453 11.888 -3.017) 16.116 14.452 ( -12.163 9.390 8.016) 17.331 14.795 ( -11.695 -3.518 -4.597) 13.050 15.088 ( 2.452 -4.797 -4.870) 7.263 15.318 ( -4.725 -0.798 11.235) 12.214 16.109 ( 7.485 3.250 11.674) 14.243 16.337 ( 5.734 -4.027 2.003) 7.287 16.778 ( -8.129 2.950 -0.911) 8.696 16.979 ( 6.011 10.255 -6.508) 13.552 17.385 ( 2.403 -6.217 -9.497) 11.603 17.513 ( 2.606 12.364 -2.681) 12.917 18.615 ( -4.570 -8.675 -0.139) 9.806 19.297 ( -1.161 0.971 -1.219) 1.943 20.282 ( 6.251 -3.976 1.529) 7.564 22.108 ( 19.838 21.364 3.540) 29.369 24.994 ( 3.822 8.633 -4.699) 10.546 26.477 ( -2.724 -3.322 0.549) 4.331 26.784 ( 10.058 3.040 0.958) 10.551 27.246 ( -19.940 -31.671 -4.713) 37.721 ======================= Grid point 4 (5/227) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 6.141 4.521 1.904) 7.860 3.252 ( 13.324 -6.216 -1.558) 14.785 4.089 ( 2.311 -6.816 1.911) 7.446 4.383 ( -0.680 -2.248 1.216) 2.644 4.671 ( 21.395 -11.263 -5.238) 24.739 5.169 ( 24.684 -8.986 8.161) 27.507 5.386 ( 2.645 0.144 -7.713) 8.156 5.803 ( 14.457 -0.555 -1.823) 14.582 6.432 ( -10.384 3.457 -10.419) 15.111 6.729 ( 10.291 -0.174 -0.853) 10.327 6.955 ( -14.557 -4.749 -1.995) 15.441 7.220 ( 2.248 -7.345 0.727) 7.715 7.595 ( 7.773 5.153 2.421) 9.636 8.009 ( -9.865 3.002 -2.811) 10.688 8.186 ( -13.137 -1.531 3.708) 13.736 9.440 ( -2.731 -11.210 9.792) 15.132 9.721 ( -10.169 -5.319 2.954) 11.850 9.996 ( 4.156 5.916 -9.915) 12.271 10.557 ( -3.901 -1.305 5.020) 6.490 11.476 ( -13.493 14.986 -2.409) 20.309 11.974 ( -0.396 -1.883 -3.932) 4.378 12.324 ( 4.157 5.954 8.002) 10.806 12.865 ( -3.541 6.019 -0.353) 6.992 13.234 ( 2.002 -0.807 11.721) 11.918 13.635 ( -4.520 -10.103 -7.236) 13.224 13.780 ( 0.452 11.540 -3.926) 12.198 14.217 ( -7.420 2.907 5.191) 9.511 14.248 ( 7.886 7.753 1.231) 11.127 14.642 ( -9.391 -4.477 -4.931) 11.513 15.167 ( 1.207 -1.702 -2.786) 3.480 15.283 ( -1.022 -2.384 5.052) 5.679 16.197 ( 5.723 2.867 6.759) 9.309 16.425 ( 1.231 -0.445 2.818) 3.107 16.648 ( -4.665 -0.949 -1.110) 4.888 16.969 ( 2.821 5.971 -3.916) 7.678 17.441 ( -1.872 -2.803 -5.069) 6.087 17.480 ( 5.407 6.638 -2.829) 9.016 18.617 ( -2.909 -4.595 -0.655) 5.477 19.273 ( -0.637 0.606 -0.269) 0.920 20.407 ( 3.767 -2.577 0.841) 4.641 22.206 ( 9.678 9.772 1.042) 13.792 24.976 ( 1.676 4.047 -1.773) 4.726 26.466 ( -1.708 -2.072 0.372) 2.711 26.909 ( 8.178 4.204 0.676) 9.220 27.223 ( -11.780 -17.510 -1.911) 21.190 ======================= Grid point 5 (6/227) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 0.000 -0.000 0.000) 0.000 3.392 ( 0.000 -0.000 0.000) 0.000 4.189 ( 0.000 -0.000 0.000) 0.000 4.353 ( -0.000 0.000 0.000) 0.000 4.897 ( 0.000 -0.000 0.000) 0.000 5.360 ( 0.000 -0.000 0.000) 0.000 5.767 ( 0.000 -0.000 -0.000) 0.000 5.769 ( -0.000 0.000 -0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.839 ( -0.000 -0.000 -0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 7.321 ( 0.000 -0.000 0.000) 0.000 7.755 ( 0.000 -0.000 0.000) 0.000 7.799 ( 0.000 -0.000 -0.000) 0.000 8.088 ( 0.000 -0.000 0.000) 0.000 9.428 ( 0.000 -0.000 0.000) 0.000 9.758 ( 0.000 -0.000 0.000) 0.000 9.952 ( 0.000 0.000 -0.000) 0.000 10.524 ( 0.000 -0.000 -0.000) 0.000 11.253 ( 0.000 -0.000 -0.000) 0.000 11.993 ( 0.000 0.000 0.000) 0.000 12.327 ( 0.000 -0.000 -0.000) 0.000 12.797 ( 0.000 -0.000 0.000) 0.000 13.258 ( 0.000 -0.000 0.000) 0.000 13.681 ( 0.000 0.000 -0.000) 0.000 13.685 ( -0.000 -0.000 0.000) 0.000 14.138 ( 0.000 -0.000 -0.000) 0.000 14.277 ( 0.000 -0.000 0.000) 0.000 14.582 ( 0.000 -0.000 0.000) 0.000 15.177 ( 0.000 -0.000 0.000) 0.000 15.298 ( 0.000 -0.000 0.000) 0.000 16.237 ( 0.000 -0.000 -0.000) 0.000 16.422 ( 0.000 -0.000 0.000) 0.000 16.623 ( 0.000 -0.000 0.000) 0.000 16.961 ( 0.000 -0.000 -0.000) 0.000 17.434 ( 0.000 -0.000 0.000) 0.000 17.498 ( 0.000 -0.000 0.000) 0.000 18.615 ( 0.000 -0.000 0.000) 0.000 19.264 ( 0.000 -0.000 -0.000) 0.000 20.455 ( 0.000 -0.000 0.000) 0.000 22.240 ( 0.000 -0.000 0.000) 0.000 24.969 ( 0.000 -0.000 0.000) 0.000 26.462 ( 0.000 -0.000 -0.000) 0.000 26.963 ( 0.000 -0.000 -0.000) 0.000 27.208 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/227) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 40.605 -0.000 -13.551) 42.806 1.804 ( 46.470 -0.000 2.385) 46.532 2.709 ( 65.743 -0.000 -10.489) 66.574 3.020 ( 40.377 -0.000 19.451) 44.818 4.181 ( -6.905 0.000 0.188) 6.907 4.380 ( -1.348 0.000 -3.841) 4.070 4.978 ( -5.842 0.000 4.301) 7.255 5.243 ( 9.441 -0.000 -7.364) 11.974 6.253 ( 10.372 -0.000 -3.113) 10.830 6.305 ( 11.898 -0.000 3.188) 12.318 7.432 ( -11.417 0.000 -3.831) 12.042 7.456 ( -12.383 0.000 -38.529) 40.470 7.810 ( -3.099 0.000 -0.996) 3.255 8.462 ( -13.510 0.000 -6.276) 14.897 8.664 ( -3.143 0.000 1.438) 3.456 9.550 ( 10.122 -0.000 -0.066) 10.122 9.668 ( -13.483 0.000 23.904) 27.444 10.106 ( -13.555 0.000 3.958) 14.121 10.975 ( -14.984 0.000 4.172) 15.554 11.762 ( -3.657 0.000 -9.906) 10.560 12.243 ( 8.280 -0.000 13.165) 15.553 12.798 ( -13.757 0.000 3.004) 14.081 12.936 ( 5.680 -0.000 18.483) 19.336 13.292 ( -4.765 0.000 -22.727) 23.221 13.447 ( -4.249 0.000 -7.332) 8.474 13.838 ( 7.628 -0.000 1.108) 7.708 14.272 ( 15.837 -0.000 -15.096) 21.879 14.838 ( -14.334 0.000 -4.943) 15.163 15.013 ( -7.995 0.000 -0.201) 7.998 15.108 ( -17.040 0.000 20.542) 26.689 15.414 ( -6.203 0.000 24.036) 24.824 16.024 ( 12.125 -0.000 0.409) 12.132 16.085 ( 5.456 -0.000 13.178) 14.263 17.027 ( 1.239 -0.000 -10.097) 10.173 17.097 ( 0.367 -0.000 0.029) 0.368 17.156 ( 1.979 -0.000 -5.676) 6.011 17.825 ( 1.442 -0.000 -7.409) 7.548 18.417 ( -4.649 0.000 4.988) 6.818 19.342 ( -1.801 0.000 -2.975) 3.477 20.088 ( 6.740 -0.000 1.072) 6.825 22.595 ( 2.297 -0.000 26.948) 27.046 25.714 ( -3.376 0.000 -48.556) 48.673 25.972 ( 2.232 -0.000 1.302) 2.584 26.473 ( -1.506 0.000 6.348) 6.524 26.661 ( 10.309 -0.000 -0.754) 10.337 ======================= Grid point 13 (8/227) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 25.642 12.510 2.922) 28.680 2.557 ( 33.867 -7.511 -4.025) 34.923 3.594 ( 40.622 -8.227 -5.538) 41.815 4.049 ( 1.548 -2.953 2.800) 4.354 4.114 ( 45.769 -12.983 7.269) 48.127 4.434 ( 10.835 6.734 -7.304) 14.700 5.075 ( 14.300 -13.193 0.858) 19.476 5.376 ( 4.634 -1.365 -7.022) 8.524 6.403 ( 10.807 2.985 -3.731) 11.816 6.540 ( 8.106 -4.135 -2.255) 9.375 7.158 ( -19.951 -0.080 -17.405) 26.475 7.233 ( -11.205 -0.694 -4.434) 12.070 7.740 ( -2.221 3.374 0.173) 4.043 8.191 ( -17.704 -2.291 -5.881) 18.796 8.519 ( -12.311 2.673 0.778) 12.622 9.408 ( -11.364 3.310 15.974) 19.882 9.783 ( 13.790 -2.250 0.942) 14.004 9.895 ( -13.395 -3.561 7.472) 15.746 10.708 ( -13.215 1.589 2.553) 13.553 11.710 ( -3.691 -2.523 -12.128) 12.926 12.376 ( 7.231 2.139 16.012) 17.699 12.472 ( -14.787 11.761 0.455) 18.899 13.079 ( 5.944 -4.075 23.138) 24.235 13.163 ( -4.319 6.303 -12.675) 14.800 13.418 ( -5.685 -8.746 -13.503) 17.063 13.966 ( 7.247 2.214 3.306) 8.268 14.440 ( 6.995 11.218 -6.891) 14.909 14.611 ( -11.672 0.569 -8.238) 14.297 14.744 ( -16.163 3.365 9.940) 19.270 14.948 ( -4.300 -8.329 -3.578) 10.033 15.318 ( -4.873 0.459 19.549) 20.152 16.169 ( 7.029 2.594 9.726) 12.277 16.247 ( 8.498 -3.923 3.192) 9.889 16.897 ( -8.366 7.873 1.947) 11.652 17.069 ( -2.727 -3.312 -5.406) 6.902 17.262 ( 3.188 -2.717 -10.467) 11.275 17.816 ( 5.960 13.135 -8.974) 16.988 18.391 ( -5.089 -10.692 3.003) 12.216 19.309 ( -1.719 0.244 -0.937) 1.973 20.221 ( 7.185 -1.615 -0.251) 7.369 22.541 ( 3.795 14.988 11.030) 18.992 25.385 ( 3.340 29.593 -17.088) 34.335 26.322 ( -6.302 -33.402 -10.662) 35.624 26.481 ( -2.822 -10.885 10.215) 15.192 26.871 ( 13.419 0.017 -1.111) 13.465 ======================= Grid point 14 (9/227) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 13.711 18.653 5.102) 23.705 3.106 ( 19.376 -8.153 -2.111) 21.127 3.988 ( 1.481 -2.762 1.032) 3.299 4.280 ( 12.422 -8.642 3.312) 15.491 4.593 ( 25.591 5.346 -10.474) 28.164 4.951 ( 32.802 -10.307 4.658) 34.698 5.392 ( -0.348 0.846 -5.713) 5.786 5.783 ( 36.485 -4.668 -6.240) 37.308 6.516 ( -3.390 3.979 -9.037) 10.440 6.655 ( 10.165 -5.376 -3.465) 12.010 6.810 ( -19.268 -6.582 -4.969) 20.959 7.109 ( -4.490 -2.458 0.573) 5.151 7.693 ( 1.924 3.795 0.930) 4.355 7.934 ( -17.070 -8.979 -2.654) 19.469 8.198 ( -20.437 2.251 1.223) 20.597 9.263 ( -4.592 -3.335 14.491) 15.563 9.697 ( -9.926 1.141 7.331) 12.392 10.059 ( 14.389 -0.268 -4.558) 15.096 10.526 ( -6.914 -1.229 0.706) 7.058 11.661 ( -5.039 0.630 -14.268) 15.145 12.085 ( -12.285 12.500 -0.867) 17.548 12.437 ( 2.935 4.298 17.333) 18.098 13.016 ( -4.202 7.440 -5.204) 10.005 13.211 ( 4.887 -1.331 22.531) 23.093 13.418 ( -4.860 -9.906 -14.568) 18.275 13.998 ( 2.353 9.059 -1.618) 9.499 14.270 ( -12.576 2.553 8.073) 15.161 14.458 ( -3.855 7.848 -7.152) 11.296 14.537 ( -3.563 -1.228 -1.629) 4.106 15.055 ( 2.818 -9.470 -6.761) 11.972 15.250 ( -3.052 -0.497 13.565) 13.913 16.254 ( 5.141 2.446 7.772) 9.634 16.399 ( 4.616 -1.910 5.032) 7.091 16.674 ( -8.755 3.687 4.015) 10.313 17.024 ( -4.908 -1.450 -5.809) 7.742 17.311 ( -1.330 -4.467 -7.553) 8.876 17.771 ( 6.579 16.243 -5.347) 18.322 18.444 ( -2.567 -11.701 -2.765) 12.294 19.279 ( -1.470 0.077 0.451) 1.540 20.355 ( 5.647 -2.070 -1.827) 6.286 22.442 ( -0.209 11.098 4.125) 11.842 25.199 ( 2.559 17.607 -8.327) 19.644 26.424 ( 0.035 -4.242 -2.407) 4.878 26.603 ( -8.386 -25.945 4.350) 27.611 27.109 ( 14.886 2.229 -1.126) 15.094 ======================= Grid point 15 (10/227) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 6.269 18.860 3.575) 20.193 3.378 ( 5.762 -2.062 -1.042) 6.208 4.126 ( 8.681 -6.004 0.627) 10.574 4.359 ( -1.375 0.675 3.651) 3.959 4.984 ( 20.307 7.978 -7.078) 22.938 5.329 ( -5.844 -1.608 0.828) 6.118 5.675 ( 35.629 -6.140 2.666) 36.252 5.880 ( -18.052 8.870 -8.334) 21.772 6.307 ( -2.375 9.355 -6.539) 11.658 6.641 ( -12.071 -10.836 -5.834) 17.238 6.966 ( 5.818 5.758 -1.893) 8.402 7.220 ( 10.592 -9.569 3.871) 14.790 7.761 ( -16.817 -3.556 -3.529) 17.547 7.784 ( 10.041 -0.772 2.480) 10.372 7.905 ( -6.633 -13.699 2.232) 15.383 9.334 ( 2.711 -11.845 14.698) 19.071 9.559 ( -2.317 2.156 6.127) 6.896 10.242 ( 11.381 10.323 -13.982) 20.774 10.488 ( -0.781 -3.189 -0.583) 3.334 11.427 ( -9.204 13.684 -6.517) 17.732 11.925 ( -2.057 -3.569 -7.365) 8.439 12.393 ( -3.014 4.481 16.726) 17.577 12.875 ( -2.743 6.789 -1.499) 7.474 13.267 ( 0.873 0.836 9.026) 9.106 13.456 ( -2.648 -10.346 -5.157) 11.859 13.887 ( -2.592 7.889 -1.661) 8.468 14.128 ( -2.679 -0.547 6.028) 6.619 14.275 ( -10.388 -1.309 -7.580) 12.926 14.597 ( 7.958 2.960 1.138) 8.567 15.154 ( 0.233 -2.987 1.706) 3.447 15.252 ( 0.954 -3.656 0.739) 3.850 16.260 ( -3.206 2.128 4.463) 5.893 16.425 ( -0.403 0.318 1.650) 1.728 16.596 ( -0.164 -2.560 8.329) 8.715 16.938 ( -6.680 -2.200 -4.292) 8.239 17.316 ( -2.824 -4.254 -4.235) 6.633 17.706 ( 3.293 12.863 -0.632) 13.293 18.532 ( 1.046 -7.696 -5.620) 9.587 19.258 ( -1.087 -0.461 1.324) 1.774 20.444 ( 2.514 -0.847 -3.194) 4.152 22.294 ( -7.811 4.471 1.530) 9.129 25.086 ( 1.307 10.992 -4.053) 11.788 26.469 ( 2.969 0.253 0.196) 2.986 26.689 ( -8.853 -19.648 2.005) 21.643 27.334 ( 16.034 6.412 -0.635) 17.280 ======================= Grid point 16 (11/227) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 2.409 16.226 1.988) 16.524 3.366 ( -5.590 4.542 -0.524) 7.222 4.249 ( 1.899 7.843 -2.036) 8.322 4.388 ( 6.970 -3.218 1.130) 7.759 4.962 ( -14.485 16.228 1.261) 21.789 5.244 ( -9.879 -5.228 6.673) 13.018 5.424 ( -11.970 9.992 -5.188) 16.432 5.927 ( -4.272 10.178 -8.515) 13.940 6.394 ( 8.753 0.165 9.545) 12.952 6.641 ( 4.623 -9.437 -2.097) 10.715 6.974 ( 3.410 -1.302 -4.565) 5.845 7.312 ( -0.481 0.725 2.034) 2.212 7.492 ( -14.343 -5.099 -3.084) 15.532 7.921 ( 5.580 -3.808 3.788) 7.745 8.185 ( 12.081 -3.475 -3.995) 13.191 9.542 ( 9.572 -4.694 6.619) 12.548 9.631 ( 4.214 -8.834 12.938) 16.223 10.199 ( 5.576 22.068 -13.262) 26.343 10.555 ( 4.709 -1.708 -8.247) 9.649 11.282 ( 4.037 -0.881 -2.775) 4.977 11.967 ( 0.155 -5.087 -7.851) 9.356 12.266 ( -7.346 1.649 12.343) 14.458 12.806 ( 0.005 0.907 0.332) 0.966 13.249 ( -1.171 0.775 -5.117) 5.306 13.538 ( -0.388 -11.064 1.172) 11.132 13.803 ( 0.626 4.983 5.968) 7.800 14.105 ( -8.726 -6.516 -2.555) 11.186 14.179 ( 1.737 -0.651 -3.676) 4.117 14.717 ( 9.307 3.347 3.825) 10.604 15.170 ( -0.005 -0.866 4.051) 4.143 15.304 ( 1.450 -0.972 -4.002) 4.367 16.144 ( -8.256 -2.040 -1.355) 8.611 16.426 ( -0.580 -0.235 -1.208) 1.361 16.645 ( 1.097 -4.012 11.100) 11.853 16.842 ( -7.411 -3.372 -2.449) 8.502 17.312 ( -2.014 -3.718 -1.037) 4.353 17.619 ( -0.702 8.370 3.031) 8.929 18.631 ( 3.871 -3.000 -4.492) 6.646 19.253 ( -0.507 -1.229 1.734) 2.185 20.451 ( -1.221 1.611 -4.065) 4.540 22.074 ( -16.703 -3.075 0.529) 16.992 25.009 ( 0.193 6.565 -1.809) 6.812 26.520 ( 4.613 2.947 1.072) 5.578 26.706 ( -8.620 -13.244 0.314) 15.805 27.536 ( 17.810 11.181 0.322) 21.032 ======================= Grid point 17 (12/227) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -0.459 15.346 1.685) 15.445 3.076 ( -17.116 13.221 1.632) 21.689 4.174 ( -8.586 18.028 -5.106) 20.610 4.307 ( -23.027 9.431 1.128) 24.909 4.492 ( 5.522 5.796 3.463) 8.722 4.927 ( -25.966 9.997 0.239) 27.825 5.290 ( -2.373 1.891 3.132) 4.361 5.723 ( -1.766 13.152 -4.594) 14.043 6.364 ( -8.106 -1.479 0.841) 8.283 6.764 ( 4.367 5.371 5.331) 8.738 7.138 ( 3.446 -6.581 -0.287) 7.434 7.348 ( 11.474 6.627 5.038) 14.176 7.395 ( -5.592 -10.597 -1.334) 12.056 8.078 ( 5.276 -6.681 0.478) 8.526 8.355 ( 8.196 -2.895 -4.617) 9.842 9.639 ( 3.365 14.751 -5.925) 16.248 9.759 ( 0.995 -7.182 17.246) 18.709 10.181 ( 14.219 11.029 -8.704) 19.989 10.629 ( 3.386 -0.484 -8.395) 9.065 11.583 ( 16.732 -16.339 -3.891) 23.708 12.000 ( 1.358 1.904 2.839) 3.679 12.150 ( -7.474 -6.217 -1.561) 9.846 12.863 ( 3.304 -5.829 0.355) 6.709 13.228 ( 0.478 1.480 -9.083) 9.216 13.674 ( 2.489 -11.245 1.960) 11.682 13.792 ( 3.068 4.424 8.942) 10.438 13.994 ( -11.268 -6.975 -2.331) 13.456 14.282 ( 4.940 -6.367 -5.263) 9.625 14.851 ( 8.978 2.095 6.263) 11.145 15.154 ( -1.912 2.069 1.847) 3.368 15.342 ( 4.111 0.837 -3.810) 5.667 16.033 ( -8.112 -4.038 -8.406) 12.360 16.390 ( -3.531 0.664 -1.520) 3.901 16.693 ( -8.667 -13.060 9.952) 18.567 16.789 ( 2.942 0.705 1.604) 3.424 17.329 ( -0.572 -3.668 -0.392) 3.733 17.514 ( -3.276 4.704 5.865) 8.201 18.720 ( 5.195 1.409 -1.996) 5.741 19.267 ( 0.151 -1.918 2.185) 2.912 20.370 ( -4.262 4.247 -4.271) 7.379 21.772 ( -26.612 -10.880 -0.254) 28.752 24.953 ( -0.775 3.265 -0.378) 3.377 26.561 ( 4.363 4.543 2.688) 6.848 26.669 ( -7.577 -7.317 -2.360) 10.795 27.734 ( 21.470 15.891 1.962) 26.783 ======================= Grid point 18 (13/227) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -2.519 22.068 3.499) 22.485 2.525 ( -23.294 23.629 7.954) 34.121 3.360 ( -36.132 22.388 -3.461) 42.646 4.074 ( -40.293 29.382 -4.720) 50.091 4.334 ( 6.478 5.686 -3.340) 9.244 4.538 ( 9.478 8.040 3.299) 12.859 5.221 ( -3.607 2.845 5.234) 6.964 5.588 ( -1.836 9.301 -4.429) 10.464 6.235 ( 0.653 8.749 -5.197) 10.197 6.742 ( 1.500 9.865 3.762) 10.664 7.228 ( 1.425 -8.522 -1.208) 8.724 7.471 ( 5.535 3.815 18.653) 19.827 7.495 ( 0.523 -14.461 2.768) 14.732 8.230 ( 3.422 -8.682 0.709) 9.359 8.567 ( 9.183 -5.659 -5.374) 12.051 9.504 ( -2.164 10.705 -8.226) 13.673 9.746 ( -3.088 4.141 10.418) 11.628 10.350 ( 12.317 5.476 -8.782) 16.088 10.744 ( 6.410 -6.932 -4.399) 10.416 11.979 ( 4.429 3.479 12.943) 14.115 12.055 ( 6.751 -20.515 -7.846) 22.978 12.162 ( 4.336 -4.426 -8.479) 10.502 13.006 ( 4.498 -6.432 -0.086) 7.849 13.232 ( 3.069 3.864 -5.375) 7.297 13.794 ( -1.382 2.003 -3.263) 4.071 13.825 ( 2.225 -1.666 6.536) 7.102 13.884 ( -5.806 -10.945 7.897) 14.692 14.480 ( 5.152 -14.754 -10.356) 18.748 14.974 ( 5.461 -0.551 7.475) 9.274 15.077 ( -2.256 3.406 0.470) 4.112 15.439 ( 7.864 1.044 -5.519) 9.664 15.936 ( -7.218 -3.343 -15.194) 17.151 16.282 ( -5.767 4.418 0.232) 7.268 16.655 ( -11.537 -16.999 9.111) 22.474 16.905 ( 6.992 -1.824 5.962) 9.368 17.313 ( -4.961 0.551 -1.440) 5.195 17.471 ( 2.080 -1.930 5.345) 6.051 18.774 ( 5.051 5.630 -0.570) 7.585 19.297 ( 0.634 -2.296 3.266) 4.042 20.229 ( -5.362 5.904 -3.728) 8.804 21.360 ( -38.604 -18.199 -1.435) 42.703 24.911 ( -1.723 0.999 1.123) 2.287 26.564 ( -1.784 0.783 6.536) 6.820 26.612 ( -1.270 1.625 -7.034) 7.330 27.977 ( 28.389 19.801 4.385) 34.889 ======================= Grid point 19 (14/227) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.754 41.430 6.189) 41.897 1.804 ( -22.824 37.596 13.442) 45.990 2.657 ( -20.841 11.872 -8.999) 25.618 2.849 ( -44.387 54.151 -3.872) 70.125 4.477 ( 10.006 -0.336 -5.074) 11.223 4.703 ( 16.851 5.574 1.609) 17.821 5.099 ( -4.565 4.981 5.052) 8.437 5.431 ( -9.775 1.931 -1.863) 10.137 6.291 ( 23.737 19.097 -18.303) 35.540 6.605 ( 0.062 15.722 0.558) 15.732 7.386 ( 1.147 -13.230 3.737) 13.795 7.441 ( -9.159 -3.553 34.165) 35.549 7.659 ( 1.027 -12.753 3.115) 13.168 8.377 ( 1.526 -10.763 0.294) 10.874 8.734 ( 7.191 1.183 -2.396) 7.671 9.268 ( -17.002 5.531 -8.954) 19.996 9.694 ( 2.617 2.515 1.909) 4.101 10.445 ( 3.663 3.311 -7.191) 8.723 10.969 ( 6.729 -11.901 -1.603) 13.765 11.999 ( 0.431 -1.798 4.901) 5.238 12.268 ( 9.844 -4.929 -8.951) 14.189 12.423 ( 9.058 -9.333 1.657) 13.111 13.122 ( 2.072 -3.433 3.380) 5.244 13.242 ( 4.604 6.759 -2.807) 8.647 13.620 ( -13.756 -1.038 -0.569) 13.806 13.880 ( 4.082 0.830 2.907) 5.080 13.991 ( 5.318 -2.772 16.434) 17.494 14.692 ( -5.296 -19.025 -20.824) 28.699 15.043 ( 2.133 -3.967 -3.621) 5.779 15.079 ( 4.226 -0.382 7.072) 8.247 15.564 ( 6.507 0.790 -3.719) 7.536 15.857 ( -3.790 -1.597 -20.672) 21.077 16.119 ( -5.777 5.814 3.984) 9.113 16.666 ( -6.516 -15.555 7.440) 18.433 17.000 ( -2.004 -3.500 11.344) 12.039 17.226 ( 0.044 1.928 -5.944) 6.249 17.583 ( 5.234 -4.875 1.682) 7.348 18.773 ( 3.839 9.690 -0.527) 10.436 19.333 ( 0.406 -2.345 4.825) 5.380 20.083 ( -3.547 5.958 -2.356) 7.323 20.775 ( -51.880 -19.972 -2.744) 55.659 24.868 ( -2.559 0.349 2.697) 3.734 26.504 ( -3.958 -0.924 2.094) 4.573 26.584 ( 1.621 5.543 -2.797) 6.417 28.348 ( 37.399 17.977 6.660) 42.027 ======================= Grid point 20 (15/227) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 50.287 0.000) 50.287 1.122 ( 0.000 52.864 0.000) 52.864 1.622 ( 0.000 74.731 0.000) 74.731 2.419 ( 0.000 3.532 0.000) 3.532 4.618 ( -0.000 -2.774 -0.000) 2.774 4.825 ( 0.000 3.630 0.000) 3.630 5.158 ( -0.000 -1.069 -0.000) 1.069 5.215 ( -0.000 -0.595 -0.000) 0.595 6.312 ( 0.000 21.097 0.000) 21.097 6.948 ( -0.000 -2.426 -0.000) 2.426 6.981 ( 0.000 2.731 0.000) 2.731 7.561 ( -0.000 -10.807 -0.000) 10.807 7.778 ( -0.000 -8.385 -0.000) 8.385 8.494 ( -0.000 -10.249 -0.000) 10.249 8.834 ( 0.000 4.102 0.000) 4.102 8.857 ( 0.000 12.549 0.000) 12.549 9.731 ( -0.000 -2.057 -0.000) 2.057 10.428 ( 0.000 3.285 0.000) 3.285 11.163 ( -0.000 -11.458 -0.000) 11.458 12.029 ( -0.000 -2.646 -0.000) 2.646 12.548 ( -0.000 -18.420 -0.000) 18.420 12.575 ( 0.000 0.931 0.000) 0.931 13.106 ( 0.000 2.556 0.000) 2.556 13.238 ( 0.000 10.924 0.000) 10.924 13.440 ( -0.000 -1.917 -0.000) 1.917 13.906 ( 0.000 0.311 0.000) 0.311 14.174 ( -0.000 -4.291 -0.000) 4.291 14.619 ( -0.000 -4.451 -0.000) 4.451 15.153 ( -0.000 -5.353 -0.000) 5.353 15.163 ( -0.000 -5.458 -0.000) 5.458 15.615 ( 0.000 0.013 0.000) 0.013 15.835 ( 0.000 0.104 0.000) 0.104 16.010 ( 0.000 4.040 0.000) 4.040 16.750 ( -0.000 -10.620 -0.000) 10.620 16.963 ( -0.000 -1.810 -0.000) 1.810 17.252 ( -0.000 -0.023 -0.000) 0.023 17.709 ( -0.000 -7.073 -0.000) 7.073 18.704 ( 0.000 11.518 0.000) 11.518 19.353 ( -0.000 -1.663 -0.000) 1.663 20.006 ( 0.000 5.241 0.000) 5.241 20.160 ( 0.000 1.450 0.000) 1.450 24.824 ( 0.000 1.510 0.000) 1.510 26.471 ( -0.000 -0.164 -0.000) 0.164 26.547 ( 0.000 4.156 0.000) 4.156 28.772 ( -0.000 -1.995 -0.000) 1.995 ======================= Grid point 23 (16/227) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 18.875 -0.000 3.096) 19.127 2.951 ( 17.085 -0.000 2.629) 17.286 3.965 ( -1.837 0.000 1.469) 2.352 4.156 ( 22.033 -0.000 -2.539) 22.178 4.718 ( 33.700 -0.000 -0.058) 33.700 4.821 ( 25.608 -0.000 -8.207) 26.891 5.408 ( -0.224 0.000 -6.991) 6.994 5.674 ( 55.573 -0.000 -1.608) 55.596 6.557 ( 6.861 -0.000 -4.475) 8.192 6.619 ( -1.101 0.000 -9.393) 9.457 6.720 ( -27.929 0.000 -8.390) 29.162 7.095 ( -2.349 0.000 3.330) 4.075 7.742 ( 0.744 -0.000 1.891) 2.032 7.803 ( -23.668 0.000 -4.821) 24.154 8.225 ( -22.256 0.000 0.074) 22.256 9.246 ( -7.898 0.000 14.616) 16.614 9.717 ( -6.020 0.000 8.011) 10.021 10.042 ( 16.616 -0.000 0.749) 16.633 10.513 ( -8.898 0.000 -1.625) 9.045 11.647 ( -2.024 0.000 -14.684) 14.823 12.250 ( -16.459 0.000 -3.545) 16.836 12.485 ( 2.743 -0.000 21.364) 21.540 13.122 ( -4.237 0.000 -12.064) 12.787 13.190 ( 7.204 -0.000 26.491) 27.453 13.286 ( -3.481 0.000 -13.037) 13.493 14.111 ( 6.670 -0.000 3.866) 7.709 14.337 ( -13.759 0.000 -9.070) 16.480 14.371 ( -20.361 0.000 7.487) 21.694 14.785 ( 9.403 -0.000 -9.734) 13.534 14.807 ( -1.927 0.000 -2.924) 3.502 15.247 ( -3.774 0.000 16.805) 17.223 16.285 ( 4.698 -0.000 6.660) 8.150 16.371 ( 6.780 -0.000 6.645) 9.493 16.744 ( -14.013 0.000 12.211) 18.587 16.966 ( -4.514 0.000 -15.279) 15.932 17.275 ( -0.095 0.000 -4.850) 4.851 18.050 ( 10.480 -0.000 -14.217) 17.662 18.212 ( -7.077 0.000 4.129) 8.193 19.279 ( -1.781 0.000 0.392) 1.823 20.333 ( 6.343 -0.000 -2.838) 6.949 22.573 ( -6.188 0.000 6.432) 8.925 25.546 ( -5.085 0.000 -19.442) 20.096 26.082 ( 3.799 -0.000 1.747) 4.181 26.451 ( 1.054 -0.000 7.874) 7.944 27.137 ( 16.241 -0.000 -0.879) 16.265 ======================= Grid point 24 (17/227) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 9.847 21.130 4.643) 23.769 3.251 ( 9.026 -11.084 0.242) 14.296 4.006 ( 5.036 -3.712 2.043) 6.581 4.360 ( 5.093 -0.455 3.088) 5.973 5.166 ( 15.080 6.144 -6.253) 17.443 5.353 ( 14.078 5.413 -7.083) 16.663 5.535 ( 34.536 -7.645 -3.620) 35.557 6.076 ( -22.983 7.081 -6.912) 25.022 6.472 ( -1.483 4.096 -10.993) 11.825 6.481 ( -5.553 -1.093 -5.580) 7.947 6.953 ( 37.225 -13.216 5.103) 39.830 7.098 ( 2.163 6.306 1.181) 6.770 7.454 ( -19.122 -15.047 -2.092) 24.422 7.736 ( -12.738 -1.563 -1.110) 12.881 7.851 ( -7.748 0.745 5.531) 9.549 9.182 ( -0.550 -2.810 13.385) 13.688 9.651 ( 0.209 3.683 7.058) 7.964 10.330 ( 14.681 -0.067 0.341) 14.685 10.432 ( 0.117 -1.083 -9.400) 9.463 11.610 ( -2.422 2.380 -17.086) 17.420 11.947 ( -13.146 4.238 -4.780) 14.616 12.466 ( -4.062 2.072 23.304) 23.746 13.023 ( -2.927 5.738 -5.762) 8.642 13.268 ( -2.177 -4.369 -11.941) 12.900 13.304 ( 4.257 -0.262 23.034) 23.425 13.993 ( -15.993 2.645 0.858) 16.233 14.118 ( -9.003 -0.931 -0.869) 9.092 14.215 ( -2.224 -2.615 -2.798) 4.428 14.743 ( 6.827 10.114 -3.117) 12.594 15.009 ( 4.328 -10.015 -4.853) 11.941 15.206 ( -1.184 -0.771 9.854) 9.955 16.311 ( -3.712 2.078 7.424) 8.557 16.436 ( -0.339 0.766 4.633) 4.708 16.530 ( -7.276 -3.058 11.112) 13.629 16.891 ( -4.905 -1.616 -9.106) 10.468 17.272 ( -0.234 -0.630 -2.009) 2.119 17.986 ( -2.251 13.132 -2.340) 13.527 18.320 ( 4.904 -11.572 -9.567) 15.795 19.249 ( -1.786 -0.299 1.287) 2.221 20.429 ( 4.149 -0.472 -5.090) 6.584 22.380 ( -13.759 2.760 3.195) 14.392 25.373 ( -2.656 13.356 -9.903) 16.837 26.249 ( 0.782 -16.747 -0.598) 16.776 26.497 ( 3.908 0.140 6.756) 7.806 27.421 ( 17.317 1.994 -0.942) 17.457 ======================= Grid point 25 (18/227) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( 5.758 24.210 3.473) 25.127 3.407 ( 0.157 -2.131 -1.121) 2.414 4.223 ( 10.823 -9.341 3.280) 14.668 4.402 ( 2.592 4.735 -0.095) 5.399 5.116 ( -12.118 -4.595 3.084) 13.322 5.314 ( -17.200 16.895 -1.932) 24.187 5.734 ( 7.040 16.125 -5.158) 18.335 6.114 ( 6.704 6.728 -8.384) 12.669 6.324 ( -5.727 -13.061 -11.245) 18.161 6.490 ( 14.092 2.403 4.153) 14.886 6.930 ( -10.106 -2.598 -3.212) 10.918 7.287 ( -8.023 -4.330 -1.730) 9.279 7.398 ( -7.187 -1.360 2.107) 7.612 7.840 ( 10.589 -6.341 4.262) 13.058 7.997 ( 22.467 -11.379 0.966) 25.203 9.296 ( 6.044 -8.566 13.888) 17.400 9.675 ( 8.626 4.789 3.960) 10.631 10.462 ( 3.842 -1.742 3.336) 5.378 10.571 ( 12.528 7.001 -22.158) 26.399 11.432 ( -5.471 12.272 -8.758) 16.038 11.827 ( -2.721 -6.495 -10.727) 12.832 12.326 ( -8.918 2.679 21.268) 23.217 12.903 ( -2.905 7.416 1.140) 8.046 13.260 ( -1.995 -0.765 -2.914) 3.614 13.356 ( 0.328 -4.564 3.546) 5.789 13.799 ( -8.464 -6.151 9.171) 13.913 13.972 ( -10.035 -4.475 -8.321) 13.783 14.206 ( 1.018 2.280 -0.831) 2.631 14.809 ( 9.197 6.129 0.339) 11.057 15.126 ( 1.285 -4.102 4.185) 5.999 15.248 ( 3.149 -3.300 -3.297) 5.628 16.118 ( -12.913 -0.415 7.837) 15.111 16.412 ( -3.646 -1.503 -0.321) 3.957 16.508 ( -3.938 -5.794 6.059) 9.262 16.838 ( -1.278 0.889 2.617) 3.045 17.282 ( 1.024 -0.056 -0.180) 1.041 17.803 ( -5.357 8.984 -2.601) 10.779 18.516 ( 6.509 -7.123 -8.686) 12.983 19.227 ( -1.518 -1.106 2.047) 2.778 20.474 ( 1.050 0.635 -6.479) 6.595 22.055 ( -21.519 0.383 1.729) 21.592 25.208 ( -1.460 11.240 -4.624) 12.241 26.404 ( -1.966 -14.493 -0.018) 14.626 26.579 ( 6.644 2.309 3.914) 8.050 27.692 ( 17.662 4.388 -0.742) 18.214 ======================= Grid point 26 (19/227) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.570 ( 4.978 23.884 3.059) 24.588 3.304 ( -8.114 8.016 -2.039) 11.587 4.359 ( -3.918 3.347 -1.754) 5.444 4.498 ( 8.938 -6.466 4.421) 11.885 4.677 ( -23.553 19.770 2.948) 30.892 4.949 ( -15.917 -0.364 2.412) 16.103 5.538 ( -6.453 20.030 -5.653) 21.790 6.023 ( 0.706 14.021 -5.271) 14.996 6.258 ( -6.074 -8.645 -1.058) 10.619 6.783 ( 2.459 -5.096 3.005) 6.407 6.987 ( 8.443 -6.969 -5.335) 12.178 7.128 ( -13.213 -13.143 -2.062) 18.750 7.503 ( 17.002 7.438 2.723) 18.757 7.967 ( 4.405 -3.555 1.149) 5.776 8.380 ( 11.070 3.059 -1.612) 11.597 9.544 ( 8.776 -11.379 17.598) 22.720 9.837 ( 11.459 4.363 -0.579) 12.275 10.487 ( 4.806 12.516 -2.370) 13.615 10.641 ( 3.745 4.124 -19.868) 20.635 11.378 ( 8.459 -1.642 -6.360) 10.710 11.900 ( 1.291 -8.880 -12.050) 15.024 12.140 ( -9.125 1.875 18.000) 20.268 12.807 ( -1.250 1.196 2.864) 3.346 13.242 ( 0.377 -0.107 -5.802) 5.815 13.450 ( 2.204 -9.171 0.192) 9.434 13.770 ( -6.471 -9.767 14.179) 18.393 13.864 ( -6.435 -2.795 -8.560) 11.068 14.212 ( 0.729 -0.795 -1.847) 2.139 14.901 ( 6.283 3.275 4.876) 8.601 15.182 ( 2.500 0.480 0.456) 2.586 15.333 ( 3.383 -1.817 -2.704) 4.697 15.945 ( -9.383 -4.475 1.890) 10.566 16.332 ( -9.238 -6.555 -1.444) 11.419 16.488 ( -5.031 -3.999 0.788) 6.475 16.829 ( 1.621 1.721 13.323) 13.531 17.315 ( 3.581 1.082 -0.592) 3.787 17.618 ( -6.903 5.776 -2.758) 9.414 18.688 ( 6.779 -3.831 -5.560) 9.568 19.223 ( -0.919 -2.143 2.793) 3.639 20.446 ( -1.943 2.922 -6.652) 7.521 21.632 ( -28.752 -3.495 1.032) 28.982 25.085 ( -1.026 8.436 -2.138) 8.762 26.479 ( -3.580 -9.649 1.885) 10.463 26.670 ( 7.507 4.650 0.372) 8.839 27.949 ( 18.291 5.980 -0.046) 19.244 ======================= Grid point 27 (20/227) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 5.889 23.359 3.749) 24.380 2.976 ( -12.389 19.420 -0.384) 23.038 3.866 ( -30.597 20.893 4.677) 37.344 4.416 ( 1.808 13.939 -11.350) 18.066 4.496 ( -23.724 1.702 5.661) 24.449 4.689 ( 7.651 7.438 2.594) 10.981 5.313 ( -2.619 7.434 -1.159) 7.966 5.792 ( -10.308 10.737 -0.428) 14.891 6.358 ( 9.144 -1.913 -2.128) 9.581 6.854 ( 2.864 -0.715 -1.189) 3.183 7.072 ( -3.654 -7.057 -0.621) 7.971 7.155 ( -1.187 -13.738 -3.944) 14.343 7.653 ( 7.427 13.552 10.210) 18.522 8.091 ( 3.553 -5.279 -1.198) 6.475 8.504 ( 12.992 3.050 -2.815) 13.639 9.753 ( 2.909 -1.227 12.442) 12.836 9.835 ( 1.365 14.535 -0.405) 14.604 10.482 ( 7.003 7.473 -5.559) 11.653 10.644 ( 0.365 -1.967 -10.126) 10.322 11.660 ( 9.290 -14.843 -9.814) 20.073 11.965 ( -6.580 -5.080 2.752) 8.756 12.103 ( 10.544 -2.239 2.146) 10.991 12.868 ( 4.575 -6.381 0.416) 7.862 13.276 ( 3.406 0.471 -3.917) 5.212 13.606 ( 2.178 -11.349 1.540) 11.659 13.726 ( -9.558 -8.813 1.261) 13.062 13.831 ( 0.138 -1.868 3.568) 4.030 14.253 ( -0.088 -6.758 -3.484) 7.604 14.957 ( 1.920 -0.243 6.782) 7.053 15.156 ( -2.706 3.793 -1.033) 4.773 15.437 ( 6.747 -1.420 0.692) 6.930 15.878 ( -3.257 -2.517 -9.292) 10.163 16.265 ( -7.842 -10.612 -0.633) 13.210 16.401 ( -7.907 -1.349 2.539) 8.414 16.863 ( 1.395 -2.052 17.180) 17.358 17.372 ( 3.756 4.986 -9.406) 11.289 17.468 ( -3.080 0.878 3.703) 4.896 18.825 ( 6.407 -0.318 -2.965) 7.067 19.240 ( -0.261 -2.995 3.758) 4.813 20.350 ( -3.631 5.432 -5.501) 8.541 21.130 ( -34.465 -5.959 0.414) 34.979 24.995 ( -0.731 6.220 -0.978) 6.339 26.490 ( -3.772 -5.307 2.148) 6.856 26.729 ( 5.800 6.797 -1.191) 9.015 28.215 ( 19.361 5.507 1.058) 20.156 ======================= Grid point 28 (21/227) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 7.452 24.092 5.124) 25.733 2.512 ( -8.871 32.285 2.389) 33.567 3.123 ( -20.462 31.770 1.243) 37.810 3.765 ( -29.015 31.073 -5.207) 42.831 4.465 ( 3.420 -0.082 -2.614) 4.305 4.810 ( 12.604 5.524 0.863) 13.789 5.218 ( -1.750 6.120 1.993) 6.671 5.489 ( -13.629 5.913 0.216) 14.858 6.593 ( 20.199 5.112 -7.913) 22.288 6.872 ( 2.293 7.465 -2.099) 8.086 7.109 ( -1.146 -9.677 -1.538) 9.865 7.319 ( 0.212 -17.815 -3.502) 18.157 7.493 ( -10.349 9.085 20.178) 24.430 8.195 ( 1.890 -6.446 -0.020) 6.717 8.754 ( 16.044 3.270 -2.397) 16.548 9.518 ( -11.650 16.067 -2.305) 19.979 9.800 ( 1.342 6.940 5.098) 8.714 10.515 ( 2.552 3.482 -3.824) 5.767 10.737 ( 3.006 -9.451 -3.068) 10.381 11.915 ( -0.632 -13.401 -0.585) 13.428 11.939 ( 0.074 -10.041 -2.724) 10.405 12.381 ( 14.537 -2.955 -0.494) 14.842 13.042 ( 6.560 -5.466 -0.627) 8.561 13.326 ( 2.670 1.008 0.578) 2.912 13.577 ( -10.300 -3.057 -2.498) 11.031 13.790 ( 1.459 -9.113 3.895) 10.018 13.902 ( 4.208 -5.486 3.821) 7.899 14.353 ( -1.027 -13.389 -6.462) 14.902 14.979 ( -0.336 -2.192 0.977) 2.424 15.069 ( -3.351 0.126 4.046) 5.255 15.559 ( 4.405 -1.323 1.938) 4.991 15.862 ( 1.435 1.925 -16.284) 16.460 16.227 ( -5.207 3.994 -0.286) 6.569 16.324 ( -5.579 -15.460 7.032) 17.877 16.900 ( -2.699 -5.326 13.916) 15.142 17.292 ( -1.884 4.199 -7.695) 8.966 17.552 ( 8.069 0.590 1.126) 8.168 18.910 ( 5.196 3.716 -1.814) 6.640 19.272 ( -0.085 -3.353 4.415) 5.544 20.223 ( -2.803 6.909 -3.306) 8.156 20.578 ( -32.969 -3.460 -0.249) 33.151 24.928 ( -0.494 4.767 -0.211) 4.797 26.470 ( -2.702 -2.383 1.301) 3.830 26.727 ( 2.861 7.957 -1.182) 8.537 28.506 ( 17.493 1.463 1.785) 17.645 ======================= Grid point 29 (22/227) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 0.000 38.566 0.000) 38.566 2.113 ( 0.000 39.481 0.000) 39.481 2.631 ( 0.000 22.172 0.000) 22.172 2.988 ( 0.000 54.284 0.000) 54.284 4.535 ( -0.000 -4.594 -0.000) 4.594 4.922 ( 0.000 4.823 0.000) 4.823 5.158 ( 0.000 2.404 0.000) 2.404 5.257 ( 0.000 4.846 0.000) 4.846 6.763 ( 0.000 17.054 0.000) 17.054 6.925 ( -0.000 -1.177 -0.000) 1.177 7.071 ( 0.000 6.376 0.000) 6.376 7.296 ( -0.000 -10.276 -0.000) 10.276 7.513 ( -0.000 -16.705 -0.000) 16.705 8.290 ( -0.000 -8.653 -0.000) 8.653 8.898 ( 0.000 3.851 0.000) 3.851 9.175 ( 0.000 16.905 0.000) 16.905 9.749 ( 0.000 4.434 0.000) 4.434 10.498 ( 0.000 3.273 0.000) 3.273 10.892 ( -0.000 -13.118 -0.000) 13.118 11.956 ( -0.000 -4.414 -0.000) 4.414 12.145 ( -0.000 -19.894 -0.000) 19.894 12.564 ( -0.000 -2.532 -0.000) 2.532 13.141 ( -0.000 -0.002 -0.000) 0.002 13.378 ( -0.000 -4.141 -0.000) 4.141 13.422 ( 0.000 6.742 0.000) 6.742 13.873 ( -0.000 -4.775 -0.000) 4.775 14.043 ( -0.000 -8.167 -0.000) 8.167 14.455 ( -0.000 -11.147 -0.000) 11.147 15.035 ( -0.000 -5.893 -0.000) 5.893 15.049 ( -0.000 -3.626 -0.000) 3.626 15.605 ( -0.000 -1.035 -0.000) 1.035 15.863 ( 0.000 2.709 0.000) 2.709 16.110 ( 0.000 5.249 0.000) 5.249 16.453 ( -0.000 -16.341 -0.000) 16.341 16.904 ( -0.000 -3.850 -0.000) 3.850 17.258 ( 0.000 1.074 0.000) 1.074 17.639 ( -0.000 -0.250 -0.000) 0.250 18.906 ( 0.000 7.248 0.000) 7.248 19.304 ( -0.000 -3.032 -0.000) 3.032 20.151 ( 0.000 8.192 0.000) 8.192 20.194 ( 0.000 1.625 0.000) 1.625 24.878 ( 0.000 3.803 0.000) 3.803 26.460 ( -0.000 -1.030 -0.000) 1.030 26.670 ( 0.000 7.499 0.000) 7.499 28.712 ( -0.000 -3.696 -0.000) 3.696 ======================= Grid point 34 (23/227) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( 4.372 -0.000 5.397) 6.945 3.256 ( 4.837 -0.000 -2.336) 5.371 4.104 ( 8.805 -0.000 4.258) 9.781 4.452 ( 3.563 -0.000 1.011) 3.704 5.071 ( -12.337 0.000 -1.191) 12.394 5.559 ( -26.707 0.000 -0.198) 26.708 5.878 ( 18.844 -0.000 -6.326) 19.877 6.131 ( 32.553 -0.000 -9.112) 33.804 6.256 ( -10.416 0.000 -10.075) 14.491 6.504 ( -3.039 0.000 -4.920) 5.783 6.911 ( -23.403 0.000 -0.024) 23.403 7.189 ( -10.638 0.000 -2.014) 10.827 7.419 ( -1.411 0.000 1.625) 2.152 7.692 ( 42.830 -0.000 6.566) 43.330 7.899 ( 4.446 -0.000 4.046) 6.011 9.217 ( 6.350 -0.000 10.349) 12.142 9.738 ( 6.801 -0.000 5.098) 8.500 10.420 ( 4.435 -0.000 0.797) 4.506 10.641 ( 14.939 -0.000 -15.968) 21.867 11.605 ( -0.639 0.000 -20.501) 20.511 11.741 ( -10.786 0.000 -4.201) 11.576 12.355 ( -9.986 0.000 23.854) 25.860 13.012 ( -2.150 0.000 -1.640) 2.704 13.215 ( -0.951 0.000 -9.455) 9.503 13.363 ( 0.528 -0.000 23.427) 23.433 13.670 ( -17.510 0.000 -1.029) 17.541 13.934 ( -7.987 0.000 -8.375) 11.572 14.234 ( 0.092 -0.000 2.362) 2.364 14.943 ( 9.565 -0.000 -6.288) 11.447 15.011 ( 2.251 -0.000 4.196) 4.761 15.214 ( 2.843 -0.000 1.306) 3.129 16.117 ( -16.210 0.000 14.339) 21.642 16.377 ( -7.636 0.000 -2.519) 8.041 16.460 ( 0.198 -0.000 2.051) 2.060 16.848 ( -0.104 0.000 6.536) 6.537 17.284 ( 1.874 -0.000 0.293) 1.896 17.922 ( -9.472 0.000 -5.102) 10.759 18.415 ( 10.118 -0.000 -10.211) 14.375 19.215 ( -1.913 0.000 1.783) 2.615 20.480 ( 1.951 -0.000 -7.327) 7.583 22.063 ( -23.450 0.000 2.328) 23.566 25.361 ( -5.140 0.000 -6.817) 8.538 26.217 ( 3.610 -0.000 1.791) 4.030 26.604 ( 7.619 -0.000 4.165) 8.683 27.735 ( 17.331 -0.000 -1.117) 17.367 ======================= Grid point 35 (24/227) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.035 ( 1.316 18.286 2.979) 18.573 3.365 ( -0.166 -2.892 -3.562) 4.591 4.299 ( 6.568 -7.969 8.858) 13.605 4.393 ( -11.546 0.317 1.377) 11.632 4.854 ( -10.667 1.205 0.854) 10.769 5.164 ( -7.761 13.429 -2.112) 15.654 5.941 ( -15.044 0.578 -16.489) 22.328 6.067 ( 1.522 13.229 0.111) 13.317 6.287 ( -7.853 6.505 1.269) 10.276 6.532 ( -8.632 -18.760 -3.240) 20.904 6.895 ( 19.554 -1.796 -3.402) 19.929 6.909 ( -15.104 -5.848 0.523) 16.205 7.641 ( 21.207 3.826 -2.009) 21.643 7.955 ( 4.410 2.393 1.908) 5.368 8.357 ( 26.968 -4.648 5.997) 28.015 9.393 ( 11.246 -2.616 9.161) 14.739 9.888 ( 11.158 1.283 2.540) 11.515 10.524 ( 4.607 -1.670 -0.137) 4.903 10.819 ( 6.929 5.432 -22.063) 23.755 11.497 ( 0.028 10.371 -10.552) 14.795 11.715 ( 0.282 -9.047 -10.385) 13.776 12.152 ( -12.860 -0.281 20.714) 24.383 12.914 ( -5.154 7.233 4.856) 10.122 13.211 ( -1.356 -2.869 0.130) 3.176 13.341 ( 0.307 -0.824 2.793) 2.928 13.504 ( -10.151 -11.768 3.177) 15.862 13.835 ( -4.060 -0.723 -5.716) 7.048 14.210 ( -2.314 0.021 2.457) 3.375 14.992 ( 2.434 4.773 5.188) 7.458 15.159 ( 9.070 -2.798 -3.284) 10.044 15.286 ( 3.166 -1.617 -3.497) 4.987 15.866 ( -12.270 -2.367 13.303) 18.252 16.223 ( -10.703 -2.684 -8.250) 13.778 16.457 ( -1.222 -0.373 -0.916) 1.572 16.851 ( -0.223 0.486 20.708) 20.715 17.335 ( 4.359 0.541 0.642) 4.439 17.734 ( -8.819 4.017 -10.381) 14.202 18.602 ( 9.180 -3.119 -7.339) 12.160 19.188 ( -1.582 -0.961 2.499) 3.109 20.487 ( -0.463 1.016 -7.895) 7.973 21.595 ( -29.920 -0.626 1.812) 29.982 25.246 ( -3.882 5.315 -3.019) 7.241 26.305 ( 1.859 -5.549 1.533) 6.050 26.744 ( 8.973 2.025 2.174) 9.452 28.018 ( 16.056 1.350 -1.040) 16.146 ======================= Grid point 36 (25/227) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -0.636 17.579 2.336) 17.745 3.293 ( -2.501 10.416 -4.810) 11.742 4.075 ( -20.893 2.461 5.660) 21.786 4.360 ( -12.284 -9.948 11.956) 19.819 4.798 ( 9.720 7.205 -2.576) 12.370 4.922 ( -1.850 24.452 -8.169) 25.847 5.540 ( -10.871 14.143 -4.715) 18.451 5.997 ( -13.503 8.066 3.300) 16.071 6.141 ( 1.034 -14.941 -5.764) 16.048 6.612 ( -8.270 -21.519 -0.605) 23.062 6.803 ( -4.893 -10.238 2.794) 11.686 7.182 ( 13.399 6.664 -6.084) 16.154 7.962 ( 13.580 0.945 -1.072) 13.655 8.009 ( 9.162 10.343 0.484) 13.825 8.693 ( 18.073 10.915 2.593) 21.271 9.649 ( 11.971 -5.626 12.858) 18.447 10.048 ( 7.250 4.436 0.076) 8.500 10.558 ( -1.936 -0.551 -1.036) 2.264 10.751 ( -1.670 10.209 -19.220) 21.828 11.500 ( 4.734 -0.206 -11.359) 12.308 11.846 ( 0.556 -5.574 -4.109) 6.947 12.006 ( -1.695 -6.946 11.536) 13.572 12.788 ( -1.806 -0.057 3.350) 3.806 13.239 ( -0.785 -5.172 3.654) 6.381 13.427 ( 4.303 -5.599 -1.772) 7.280 13.479 ( -6.815 -11.440 2.990) 13.648 13.792 ( -2.294 -1.478 -4.231) 5.035 14.167 ( -3.840 -2.537 2.969) 5.477 14.979 ( 0.311 2.194 5.910) 6.312 15.226 ( -3.658 2.767 -2.354) 5.155 15.388 ( 7.175 -2.987 0.104) 7.772 15.801 ( 0.130 -4.846 4.845) 6.854 16.084 ( -8.529 -4.479 -10.092) 13.952 16.415 ( -3.592 0.714 -1.869) 4.111 16.831 ( -2.748 -0.980 26.262) 26.423 17.430 ( 7.187 0.447 0.376) 7.211 17.545 ( -6.450 5.624 -12.673) 15.292 18.787 ( 8.714 -2.470 -5.337) 10.513 19.183 ( -0.918 -2.216 3.652) 4.370 20.440 ( -2.326 3.050 -6.411) 7.471 21.060 ( -32.224 -1.613 1.208) 32.287 25.132 ( -2.222 6.063 -1.191) 6.566 26.377 ( -0.009 -4.936 1.367) 5.121 26.856 ( 7.505 4.876 0.647) 8.973 28.268 ( 14.026 0.678 -0.516) 14.051 ======================= Grid point 37 (26/227) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -1.775 14.302 1.247) 14.466 3.091 ( -0.923 21.977 -1.869) 22.075 3.695 ( -10.429 16.810 6.867) 20.940 4.118 ( -19.240 3.765 1.165) 19.639 4.603 ( -1.602 20.018 -6.200) 21.017 4.934 ( 10.817 5.988 -0.113) 12.364 5.353 ( -0.886 6.982 -0.658) 7.069 5.668 ( -12.804 10.141 1.633) 16.415 6.377 ( 4.743 -19.485 -2.753) 20.242 6.699 ( -6.973 -22.313 0.667) 23.386 6.911 ( 0.989 -14.079 2.501) 14.333 7.271 ( 9.053 10.834 -8.037) 16.246 7.897 ( -1.389 29.347 4.439) 29.713 8.080 ( 1.407 -5.516 -0.834) 5.754 8.937 ( 24.585 13.430 1.367) 28.047 9.776 ( -5.618 5.048 4.388) 8.735 9.995 ( 1.565 12.047 3.030) 12.520 10.545 ( 0.833 -2.170 1.958) 3.039 10.649 ( -1.406 2.698 -12.086) 12.463 11.596 ( -0.154 -11.101 -6.514) 12.873 11.827 ( -3.132 -5.003 2.121) 6.272 12.244 ( 10.508 -10.164 -0.764) 14.639 12.883 ( 5.781 -9.147 -1.335) 10.903 13.256 ( -6.012 -8.502 7.656) 12.924 13.509 ( 1.296 -3.501 -4.752) 6.043 13.571 ( 1.940 -8.896 2.741) 9.509 13.792 ( -0.275 -4.131 -2.810) 5.003 14.146 ( -3.645 -7.238 1.693) 8.279 14.961 ( -0.609 0.767 3.791) 3.916 15.094 ( -6.240 1.907 0.334) 6.533 15.517 ( 3.507 -2.560 2.610) 5.066 15.895 ( 5.014 -0.619 -6.715) 8.403 16.047 ( -2.463 -8.071 -4.703) 9.661 16.317 ( -4.974 3.173 0.979) 5.980 16.799 ( -3.878 -4.142 18.435) 19.289 17.392 ( -3.718 5.267 -7.068) 9.567 17.571 ( 8.248 0.669 -1.823) 8.473 18.944 ( 7.505 0.154 -4.353) 8.677 19.202 ( -0.430 -3.228 4.718) 5.733 20.343 ( -4.572 4.283 -2.727) 6.832 20.554 ( -24.074 0.380 -0.320) 24.079 25.044 ( -0.858 5.854 -0.483) 5.936 26.410 ( -0.796 -3.185 0.889) 3.401 26.893 ( 3.953 7.463 -0.119) 8.446 28.489 ( 10.016 -2.144 0.128) 10.244 ======================= Grid point 38 (27/227) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 0.000 14.074 0.000) 14.074 2.819 ( 0.000 29.009 0.000) 29.009 3.342 ( 0.000 35.890 0.000) 35.890 3.763 ( 0.000 20.602 0.000) 20.602 4.487 ( 0.000 2.898 0.000) 2.898 5.006 ( 0.000 4.088 0.000) 4.088 5.279 ( 0.000 7.755 0.000) 7.755 5.413 ( 0.000 10.034 0.000) 10.034 6.659 ( -0.000 -21.558 -0.000) 21.558 6.821 ( -0.000 -12.545 -0.000) 12.545 7.084 ( -0.000 -15.130 -0.000) 15.130 7.291 ( 0.000 5.762 0.000) 5.762 7.505 ( 0.000 29.287 0.000) 29.287 8.152 ( -0.000 -5.561 -0.000) 5.561 9.085 ( 0.000 14.987 0.000) 14.987 9.502 ( 0.000 13.263 0.000) 13.263 9.908 ( 0.000 10.382 0.000) 10.382 10.564 ( 0.000 3.186 0.000) 3.186 10.666 ( -0.000 -8.167 -0.000) 8.167 11.741 ( -0.000 -16.991 -0.000) 16.991 11.861 ( -0.000 -5.751 -0.000) 5.751 12.452 ( -0.000 -8.671 -0.000) 8.671 13.068 ( -0.000 -7.835 -0.000) 7.835 13.256 ( -0.000 -8.170 -0.000) 8.170 13.524 ( 0.000 3.402 0.000) 3.402 13.687 ( -0.000 -11.695 -0.000) 11.695 13.866 ( -0.000 -7.822 -0.000) 7.822 14.212 ( -0.000 -11.122 -0.000) 11.122 14.955 ( -0.000 -1.344 -0.000) 1.344 15.020 ( 0.000 0.574 0.000) 0.574 15.570 ( -0.000 -2.462 -0.000) 2.462 15.933 ( 0.000 3.296 0.000) 3.296 16.142 ( -0.000 -12.593 -0.000) 12.593 16.216 ( 0.000 4.816 0.000) 4.816 16.809 ( -0.000 -5.043 -0.000) 5.043 17.310 ( 0.000 4.077 0.000) 4.077 17.652 ( 0.000 0.570 0.000) 0.570 19.005 ( 0.000 2.746 0.000) 2.746 19.233 ( -0.000 -3.606 -0.000) 3.606 20.222 ( 0.000 1.039 0.000) 1.039 20.317 ( 0.000 7.343 0.000) 7.343 24.978 ( 0.000 5.575 0.000) 5.575 26.427 ( -0.000 -2.152 -0.000) 2.152 26.842 ( 0.000 8.638 0.000) 8.638 28.625 ( -0.000 -4.510 -0.000) 4.510 ======================= Grid point 45 (28/227) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( -7.280 0.000 1.523) 7.438 3.396 ( 3.433 -0.000 -6.397) 7.260 4.091 ( -18.556 0.000 4.059) 18.995 4.226 ( -9.234 0.000 13.860) 16.655 4.853 ( 8.107 -0.000 -0.511) 8.123 5.286 ( 7.989 -0.000 -3.708) 8.807 5.724 ( -9.176 0.000 -20.306) 22.283 6.004 ( -18.511 0.000 -3.454) 18.831 6.148 ( -11.253 0.000 0.226) 11.255 6.171 ( -9.198 0.000 9.632) 13.318 6.691 ( -6.156 0.000 2.366) 6.595 7.271 ( 17.869 -0.000 -3.841) 18.277 7.906 ( 4.316 -0.000 0.273) 4.324 8.205 ( 23.590 -0.000 -5.807) 24.294 8.805 ( 25.649 -0.000 7.980) 26.862 9.596 ( 11.764 -0.000 7.322) 13.857 10.075 ( 9.270 -0.000 1.903) 9.463 10.545 ( -1.677 0.000 -2.003) 2.612 10.872 ( -3.633 0.000 -20.221) 20.545 11.562 ( -1.743 0.000 -20.001) 20.077 11.755 ( 12.290 -0.000 0.506) 12.300 11.908 ( -13.461 0.000 16.833) 21.553 12.837 ( -8.444 0.000 5.374) 10.009 13.108 ( -6.729 0.000 11.380) 13.221 13.347 ( 2.417 -0.000 2.878) 3.758 13.392 ( 3.291 -0.000 -9.189) 9.761 13.776 ( -2.565 0.000 -5.421) 5.998 14.139 ( -5.404 0.000 5.817) 7.940 15.013 ( -0.649 0.000 6.120) 6.154 15.260 ( -5.749 0.000 -1.547) 5.953 15.343 ( 10.153 -0.000 -4.068) 10.937 15.739 ( 0.058 -0.000 11.798) 11.799 16.048 ( -6.744 0.000 -14.549) 16.037 16.422 ( -2.687 0.000 -2.824) 3.899 16.821 ( -4.141 0.000 29.776) 30.063 17.432 ( 6.307 -0.000 0.289) 6.314 17.614 ( -6.439 0.000 -14.980) 16.306 18.756 ( 10.185 -0.000 -6.097) 11.870 19.159 ( -1.168 0.000 3.362) 3.559 20.472 ( -1.876 0.000 -6.654) 6.913 21.045 ( -31.643 0.000 1.490) 31.678 25.203 ( -3.498 0.000 -1.149) 3.682 26.319 ( 2.057 -0.000 1.227) 2.395 26.910 ( 8.186 -0.000 1.186) 8.272 28.271 ( 12.290 -0.000 -1.008) 12.332 ======================= Grid point 47 (29/227) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( -6.447 6.527 0.248) 9.178 3.403 ( 1.604 8.083 -5.256) 9.774 3.831 ( -9.191 0.804 3.639) 9.917 4.070 ( -10.486 -3.684 9.485) 14.612 5.018 ( 9.493 2.425 2.869) 10.210 5.229 ( 1.033 31.688 -11.654) 33.779 5.517 ( -3.997 8.441 -1.575) 9.471 5.843 ( -10.319 1.608 0.858) 10.478 5.972 ( 0.034 -15.023 -6.855) 16.513 6.174 ( -10.789 -23.421 5.680) 26.405 6.657 ( -2.577 -8.180 1.887) 8.781 7.458 ( 7.865 5.982 -2.198) 10.123 7.957 ( 0.580 -4.502 -0.296) 4.549 8.497 ( 15.430 20.476 -3.374) 25.860 9.195 ( 24.479 8.379 3.745) 26.143 9.759 ( 2.108 -3.714 7.180) 8.353 10.173 ( 2.665 3.916 1.513) 4.972 10.502 ( -1.224 -1.482 -1.205) 2.269 10.735 ( -7.490 3.257 -13.711) 15.959 11.498 ( -3.824 0.309 -7.695) 8.599 11.749 ( -4.531 -2.021 4.568) 6.744 12.019 ( 9.581 -8.499 -0.893) 12.838 12.730 ( -2.775 -4.154 2.353) 5.522 13.041 ( -6.994 -8.324 8.355) 13.712 13.421 ( 3.408 -2.578 3.830) 5.739 13.503 ( 7.499 -0.625 -8.380) 11.263 13.740 ( -1.917 -1.104 -5.402) 5.837 14.041 ( -6.895 -2.766 6.995) 10.204 14.997 ( -0.260 1.688 4.007) 4.356 15.128 ( -6.661 1.039 -0.603) 6.769 15.464 ( 2.501 -1.954 1.137) 3.371 15.819 ( 4.681 -3.227 6.128) 8.359 16.001 ( 1.368 0.305 -15.925) 15.986 16.363 ( -3.243 1.171 -2.414) 4.209 16.737 ( -5.806 -1.635 23.399) 24.164 17.496 ( -1.634 4.410 -6.450) 7.982 17.562 ( 4.529 -1.736 -3.944) 6.251 18.938 ( 9.641 -0.397 -5.962) 11.342 19.151 ( -0.633 -1.381 4.728) 4.966 20.398 ( -8.349 1.170 -1.160) 8.510 20.570 ( -17.904 0.680 -1.504) 17.980 25.140 ( -1.712 2.783 -0.310) 3.283 26.355 ( 0.797 -1.644 0.694) 1.954 27.009 ( 4.701 3.167 0.418) 5.684 28.447 ( 7.164 -1.313 -0.517) 7.302 ======================= Grid point 48 (30/227) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 0.000 9.453 0.000) 9.453 3.282 ( 0.000 15.983 0.000) 15.983 3.764 ( 0.000 3.936 0.000) 3.936 3.958 ( 0.000 2.119 0.000) 2.119 4.849 ( 0.000 32.186 0.000) 32.186 5.092 ( 0.000 3.285 0.000) 3.285 5.434 ( 0.000 7.563 0.000) 7.563 5.644 ( 0.000 10.957 0.000) 10.957 6.211 ( -0.000 -19.635 -0.000) 19.635 6.338 ( -0.000 -30.116 -0.000) 30.116 6.763 ( -0.000 -14.612 -0.000) 14.612 7.452 ( 0.000 7.933 0.000) 7.933 8.024 ( -0.000 -6.626 -0.000) 6.626 8.276 ( 0.000 39.194 0.000) 39.194 9.427 ( 0.000 14.736 0.000) 14.736 9.663 ( 0.000 1.226 0.000) 1.226 10.130 ( 0.000 9.042 0.000) 9.042 10.551 ( -0.000 -3.612 -0.000) 3.612 10.620 ( 0.000 1.815 0.000) 1.815 11.484 ( -0.000 -6.277 -0.000) 6.277 11.752 ( -0.000 -4.351 -0.000) 4.351 12.219 ( -0.000 -12.181 -0.000) 12.181 12.831 ( -0.000 -13.204 -0.000) 13.204 13.053 ( -0.000 -9.554 -0.000) 9.554 13.497 ( -0.000 -5.514 -0.000) 5.514 13.575 ( 0.000 1.757 0.000) 1.757 13.749 ( -0.000 -3.529 -0.000) 3.529 14.018 ( -0.000 -7.170 -0.000) 7.170 14.973 ( 0.000 2.277 0.000) 2.277 15.050 ( 0.000 1.678 0.000) 1.678 15.506 ( -0.000 -3.344 -0.000) 3.344 15.913 ( -0.000 -5.382 -0.000) 5.382 16.020 ( 0.000 0.993 0.000) 0.993 16.302 ( 0.000 3.240 0.000) 3.240 16.711 ( -0.000 -3.999 -0.000) 3.999 17.418 ( 0.000 5.875 0.000) 5.875 17.639 ( -0.000 -2.004 -0.000) 2.004 19.037 ( 0.000 0.652 0.000) 0.652 19.166 ( -0.000 -2.595 -0.000) 2.595 20.238 ( 0.000 0.495 0.000) 0.495 20.438 ( 0.000 4.094 0.000) 4.094 25.088 ( 0.000 4.477 0.000) 4.477 26.380 ( -0.000 -2.085 -0.000) 2.085 27.002 ( 0.000 6.106 0.000) 6.106 28.539 ( -0.000 -3.417 -0.000) 3.417 ======================= Grid point 58 (31/227) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -0.000 -0.000 -0.000) 0.000 3.468 ( -0.000 -0.000 -0.000) 0.000 3.746 ( -0.000 -0.000 -0.000) 0.000 3.966 ( -0.000 -0.000 -0.000) 0.000 5.124 ( -0.000 -0.000 -0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.554 ( -0.000 -0.000 -0.000) 0.000 5.647 ( -0.000 -0.000 -0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 5.959 ( -0.000 -0.000 -0.000) 0.000 6.580 ( -0.000 -0.000 -0.000) 0.000 7.556 ( -0.000 -0.000 -0.000) 0.000 7.933 ( -0.000 -0.000 -0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 9.595 ( -0.000 -0.000 -0.000) 0.000 9.612 ( -0.000 -0.000 -0.000) 0.000 10.220 ( -0.000 -0.000 -0.000) 0.000 10.507 ( -0.000 -0.000 -0.000) 0.000 10.638 ( -0.000 -0.000 -0.000) 0.000 11.450 ( -0.000 -0.000 -0.000) 0.000 11.703 ( -0.000 -0.000 -0.000) 0.000 12.068 ( -0.000 -0.000 -0.000) 0.000 12.658 ( -0.000 -0.000 -0.000) 0.000 12.943 ( -0.000 -0.000 -0.000) 0.000 13.445 ( -0.000 -0.000 -0.000) 0.000 13.595 ( -0.000 -0.000 -0.000) 0.000 13.713 ( -0.000 -0.000 -0.000) 0.000 13.939 ( -0.000 -0.000 -0.000) 0.000 15.006 ( -0.000 -0.000 -0.000) 0.000 15.070 ( -0.000 -0.000 -0.000) 0.000 15.463 ( -0.000 -0.000 -0.000) 0.000 15.853 ( -0.000 -0.000 -0.000) 0.000 16.036 ( -0.000 -0.000 -0.000) 0.000 16.338 ( -0.000 -0.000 -0.000) 0.000 16.665 ( -0.000 -0.000 -0.000) 0.000 17.509 ( -0.000 -0.000 -0.000) 0.000 17.591 ( -0.000 -0.000 -0.000) 0.000 19.042 ( -0.000 -0.000 -0.000) 0.000 19.137 ( -0.000 -0.000 -0.000) 0.000 20.243 ( -0.000 -0.000 -0.000) 0.000 20.481 ( -0.000 -0.000 -0.000) 0.000 25.139 ( -0.000 -0.000 -0.000) 0.000 26.355 ( -0.000 -0.000 -0.000) 0.000 27.069 ( -0.000 -0.000 -0.000) 0.000 28.501 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 105 (32/227) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 1.353 -0.000 49.779) 49.797 1.091 ( 14.992 -0.000 50.040) 52.237 1.788 ( -26.867 0.000 81.680) 85.985 3.057 ( 34.641 -0.000 4.649) 34.951 4.234 ( -1.974 0.000 -3.290) 3.836 4.665 ( 5.966 -0.000 2.486) 6.463 4.947 ( -10.769 0.000 2.322) 11.017 5.149 ( 7.796 -0.000 -1.777) 7.996 5.308 ( -32.170 0.000 3.361) 32.345 6.002 ( 2.520 -0.000 -5.544) 6.090 7.608 ( -53.664 0.000 -3.715) 53.792 7.729 ( 0.694 -0.000 3.012) 3.091 7.859 ( -4.272 0.000 0.897) 4.365 8.523 ( -7.302 0.000 -15.166) 16.833 8.714 ( 1.470 -0.000 4.623) 4.851 9.077 ( 15.235 -0.000 0.669) 15.249 9.965 ( 25.518 -0.000 -19.899) 32.359 10.340 ( 1.899 -0.000 -4.595) 4.972 11.459 ( -0.677 0.000 13.774) 13.790 11.693 ( -3.844 0.000 -12.195) 12.786 12.129 ( 5.417 -0.000 5.273) 7.560 12.777 ( 10.624 -0.000 -3.923) 11.326 13.060 ( -7.195 0.000 1.147) 7.286 13.230 ( -14.093 0.000 -1.798) 14.207 13.515 ( -2.814 0.000 4.665) 5.448 13.653 ( -2.994 0.000 10.096) 10.531 13.907 ( -1.581 0.000 0.124) 1.586 14.981 ( 26.327 -0.000 -12.829) 29.287 15.080 ( -1.231 0.000 -6.130) 6.252 15.259 ( 1.762 -0.000 0.881) 1.970 15.509 ( -4.241 0.000 -14.621) 15.224 15.607 ( -1.263 0.000 -0.900) 1.551 16.888 ( 11.493 -0.000 -3.497) 12.013 17.087 ( -4.265 0.000 -10.599) 11.424 17.137 ( -5.297 0.000 12.673) 13.735 17.255 ( 3.299 -0.000 0.181) 3.304 18.107 ( 20.396 -0.000 17.801) 27.071 18.509 ( 3.312 -0.000 0.388) 3.334 19.959 ( 0.733 -0.000 0.999) 1.239 20.144 ( -24.769 0.000 1.641) 24.824 21.156 ( 57.483 -0.000 2.326) 57.530 25.913 ( 0.878 -0.000 -1.846) 2.045 26.020 ( -73.492 0.000 0.345) 73.493 26.484 ( 2.696 -0.000 -1.756) 3.217 26.493 ( -0.569 0.000 1.826) 1.912 ======================= Grid point 106 (33/227) ======================= q-point: ( 0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 6.417 -19.940 44.372) 49.068 1.408 ( 28.935 1.710 37.451) 47.358 2.330 ( 44.235 -35.077 41.991) 70.359 3.092 ( 12.494 17.918 23.151) 31.830 4.376 ( -14.909 -23.393 -6.659) 28.528 4.604 ( -11.537 0.157 6.407) 13.198 4.923 ( -0.969 -1.423 -3.731) 4.109 5.133 ( 2.707 -26.698 -12.214) 29.484 5.653 ( 28.443 0.158 -22.809) 36.459 6.158 ( 7.215 -11.789 -7.220) 15.594 7.056 ( -11.424 0.002 13.086) 17.371 7.624 ( -8.741 4.441 6.225) 11.614 7.796 ( -1.615 3.183 -2.473) 4.342 8.388 ( -9.227 -1.174 -16.407) 18.860 8.723 ( 0.888 2.872 4.252) 5.207 9.282 ( 9.877 -1.505 -5.942) 11.625 9.979 ( -1.770 22.423 -3.254) 22.727 10.415 ( -3.622 -11.066 -4.616) 12.525 11.368 ( -6.526 5.982 14.623) 17.094 11.662 ( -5.024 -5.680 -13.525) 15.506 12.263 ( 5.419 -3.792 2.746) 7.161 12.766 ( -3.209 12.984 -1.856) 13.503 12.970 ( 2.455 -0.190 -3.441) 4.232 13.225 ( -2.844 -10.611 7.186) 13.127 13.550 ( 5.089 3.681 1.541) 6.467 13.658 ( 2.786 -6.193 6.300) 9.263 13.919 ( 2.891 0.448 -2.313) 3.729 14.944 ( -10.413 1.896 -6.227) 12.281 15.168 ( -8.016 2.201 0.017) 8.312 15.273 ( 7.017 8.160 -11.716) 15.909 15.525 ( -5.989 0.615 -2.634) 6.572 15.628 ( 13.401 -4.605 -18.482) 23.289 16.809 ( -6.026 4.266 1.347) 7.505 16.979 ( -0.811 16.160 0.112) 16.181 17.048 ( -5.138 2.268 9.109) 10.701 17.305 ( 1.838 0.141 1.424) 2.329 17.771 ( -26.664 7.771 22.645) 35.835 18.557 ( 0.279 -1.912 1.737) 2.598 19.674 ( -11.146 0.948 17.896) 21.105 20.090 ( 6.487 -2.810 7.781) 10.513 21.982 ( 59.490 78.500 -13.916) 99.473 24.859 ( -11.192 4.249 11.569) 16.648 26.350 ( -8.874 -25.046 -12.523) 29.375 26.567 ( 2.122 -6.974 2.476) 7.698 26.729 ( -9.729 -55.852 -10.269) 57.615 ======================= Grid point 107 (34/227) ======================= q-point: ( 0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 23.311 -14.117 14.571) 30.903 1.933 ( 33.918 -3.714 16.924) 38.088 3.210 ( 28.213 -12.803 10.178) 32.611 3.745 ( 49.048 -25.761 27.112) 61.680 4.277 ( -12.061 -9.403 -0.848) 15.317 4.413 ( -9.244 -0.789 5.979) 11.037 5.017 ( 6.263 -2.788 -6.108) 9.182 5.369 ( -1.912 -19.337 -2.420) 19.581 6.017 ( 15.180 -4.492 -16.529) 22.887 6.369 ( 1.855 -9.224 -10.816) 14.335 6.986 ( -2.937 -2.760 -2.822) 4.920 7.415 ( -9.040 3.781 5.292) 11.137 7.715 ( -1.060 7.411 -0.428) 7.498 8.237 ( -9.543 -2.808 -12.432) 15.922 8.665 ( -4.690 3.181 3.050) 6.435 9.453 ( 6.961 -1.122 -10.754) 12.860 9.727 ( -3.054 12.979 4.437) 14.052 10.360 ( -13.427 -8.544 1.662) 16.002 11.140 ( -10.143 7.450 16.404) 20.676 11.615 ( -6.078 -4.684 -10.726) 13.188 12.349 ( 2.005 4.024 -1.256) 4.668 12.553 ( -4.541 11.713 2.659) 12.841 12.952 ( -2.550 0.510 -7.234) 7.688 13.355 ( 3.917 -9.239 4.551) 11.019 13.480 ( -5.389 4.031 4.513) 8.103 13.880 ( 10.411 -1.290 3.668) 11.114 13.976 ( 7.755 5.207 -5.947) 11.073 14.723 ( -13.337 -0.685 -6.295) 14.764 15.009 ( -7.431 0.253 -0.926) 7.493 15.118 ( -8.171 11.662 2.304) 14.424 15.434 ( -2.164 3.758 -8.146) 9.228 15.935 ( 13.360 -6.703 -17.884) 23.308 16.637 ( -5.975 7.940 19.330) 21.734 16.835 ( 5.043 14.600 2.061) 15.583 16.936 ( -4.565 4.486 2.886) 7.021 17.331 ( -0.080 -3.253 2.707) 4.233 17.454 ( -7.643 1.854 -0.811) 7.907 18.553 ( -2.484 -1.028 -0.281) 2.703 19.567 ( -3.285 0.072 16.593) 16.916 20.246 ( 5.958 -5.370 9.980) 12.804 22.051 ( 29.878 46.245 -3.063) 55.143 24.847 ( 3.320 -0.324 -3.819) 5.071 26.390 ( -2.101 -5.122 -8.734) 10.341 26.695 ( 5.591 -4.137 3.656) 7.857 27.030 ( -14.583 -43.709 -8.465) 46.849 ======================= Grid point 108 (35/227) ======================= q-point: ( 0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 14.688 8.861 10.331) 20.024 2.681 ( 30.147 -16.929 1.183) 34.596 3.874 ( 26.626 -13.524 1.772) 29.917 4.215 ( -0.265 -7.760 3.122) 8.369 4.343 ( -0.235 -2.310 2.439) 3.367 4.749 ( 32.968 -17.739 9.189) 38.549 5.144 ( 5.247 -1.561 -5.115) 7.492 5.521 ( 3.483 -12.173 0.660) 12.678 6.336 ( 6.699 -3.454 -3.335) 8.242 6.415 ( 4.160 -8.710 -12.901) 16.113 6.942 ( -7.871 -6.433 -6.337) 11.979 7.262 ( -5.439 0.398 3.656) 6.565 7.635 ( 1.997 7.371 1.297) 7.746 8.116 ( -8.244 -3.015 -5.465) 10.340 8.496 ( -11.445 1.324 3.224) 11.964 9.473 ( -2.057 1.301 -8.015) 8.376 9.671 ( 4.289 5.424 -0.842) 6.966 10.169 ( -15.533 -5.610 4.543) 17.128 10.929 ( -7.982 1.520 17.420) 19.222 11.545 ( -7.472 -3.892 -9.437) 12.650 12.129 ( -10.520 13.712 -2.132) 17.414 12.504 ( 4.465 5.904 8.856) 11.542 12.901 ( -1.875 0.926 -10.709) 10.911 13.293 ( -9.111 4.244 -6.821) 12.147 13.534 ( 7.792 -1.858 10.832) 13.473 13.858 ( -2.762 9.687 -1.028) 10.125 14.162 ( 13.550 3.809 1.389) 14.143 14.502 ( -11.670 -0.138 -2.706) 11.981 14.838 ( -12.109 2.931 6.353) 13.985 14.973 ( -1.232 -4.323 -5.814) 7.349 15.356 ( -0.779 5.530 -6.747) 8.759 16.194 ( 9.847 -4.178 -15.609) 18.922 16.493 ( -2.303 6.964 19.648) 20.972 16.734 ( -6.647 5.888 1.058) 8.942 16.875 ( 8.734 11.368 -5.169) 15.239 17.364 ( 2.142 2.448 -9.113) 9.676 17.393 ( -2.610 -7.579 7.604) 11.049 18.501 ( -4.221 -0.919 -4.019) 5.901 19.536 ( -1.072 -0.426 16.725) 16.765 20.399 ( 4.052 -6.375 9.625) 12.236 22.112 ( 18.376 23.836 -3.466) 30.296 24.899 ( 2.697 0.542 -3.605) 4.534 26.397 ( -0.999 -1.991 -7.339) 7.669 26.834 ( 7.120 -0.568 3.423) 7.921 27.161 ( -12.033 -28.103 -2.882) 30.706 ======================= Grid point 109 (36/227) ======================= q-point: ( 0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 5.929 8.427 7.036) 12.477 3.212 ( 14.131 -8.630 -0.709) 16.573 4.116 ( 1.028 -8.309 -0.122) 8.373 4.373 ( 0.638 2.400 -1.016) 2.683 4.639 ( 21.202 -11.589 -1.952) 24.242 5.219 ( 4.060 2.338 -5.427) 7.170 5.300 ( 21.978 -10.726 4.371) 24.843 5.791 ( 11.165 -10.128 -0.462) 15.082 6.168 ( -15.645 2.189 -13.592) 20.840 6.738 ( 9.989 -2.401 -0.643) 10.293 6.861 ( -7.233 -6.245 -1.828) 9.729 7.254 ( 2.346 -4.022 1.626) 4.931 7.688 ( 9.757 0.463 5.202) 11.067 7.972 ( -10.743 0.228 -0.673) 10.766 8.280 ( -12.326 -1.968 5.585) 13.675 9.445 ( 1.679 5.953 -15.906) 17.066 9.625 ( -5.051 2.275 4.776) 7.314 10.020 ( -5.792 -6.342 3.132) 9.142 10.842 ( -5.166 -4.813 18.337) 19.650 11.379 ( -12.181 3.267 -4.994) 13.564 11.892 ( -3.495 3.700 -3.620) 6.246 12.489 ( 2.384 9.290 7.514) 12.184 12.867 ( 0.232 3.261 -4.061) 5.213 13.096 ( -7.024 4.114 -16.449) 18.353 13.623 ( -3.885 0.889 2.723) 4.827 13.724 ( 4.998 7.913 2.156) 9.604 14.274 ( -0.191 0.128 2.649) 2.659 14.383 ( 1.262 3.494 4.619) 5.928 14.649 ( -8.091 -2.851 6.037) 10.490 15.019 ( 0.460 -2.910 -9.033) 9.501 15.307 ( 0.260 2.224 -4.548) 5.069 16.348 ( 5.045 -0.171 -15.105) 15.926 16.395 ( -1.319 7.054 11.015) 13.146 16.557 ( -6.608 3.365 1.778) 7.626 16.941 ( 9.159 7.455 -2.413) 12.053 17.401 ( 7.926 5.975 -7.174) 12.247 17.451 ( -4.112 -12.843 7.261) 15.316 18.438 ( -4.330 -2.134 -8.141) 9.465 19.538 ( 0.343 -0.376 18.405) 18.412 20.508 ( 0.828 -5.476 8.409) 10.069 22.176 ( 9.199 10.779 -3.905) 14.698 24.931 ( 1.086 -0.717 -2.146) 2.510 26.396 ( -0.194 -0.114 -6.449) 6.453 26.940 ( 5.193 1.624 2.060) 5.818 27.214 ( -7.084 -15.278 0.944) 16.867 ======================= Grid point 110 (37/227) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -0.121 3.911 4.971) 6.326 3.368 ( -0.494 -1.170 -1.607) 2.048 4.213 ( -2.790 1.533 1.532) 3.533 4.282 ( 0.661 1.443 -5.948) 6.156 4.990 ( 6.540 -6.978 6.075) 11.330 5.241 ( 2.386 3.684 -8.676) 9.724 5.690 ( -21.463 6.148 -6.157) 23.159 5.784 ( 9.112 -11.446 1.091) 14.671 6.196 ( 20.766 -7.833 0.030) 22.194 6.775 ( -5.831 -9.465 -4.261) 11.905 6.853 ( 0.515 1.835 1.119) 2.210 7.311 ( 0.563 3.293 -0.938) 3.470 7.736 ( -11.924 0.375 -1.413) 12.013 7.927 ( 12.859 1.081 11.016) 16.966 8.140 ( -5.954 -1.040 4.386) 7.468 9.318 ( 0.475 18.608 -17.871) 25.804 9.534 ( 0.279 4.551 1.514) 4.805 10.119 ( 0.860 -13.576 2.644) 13.858 10.810 ( -6.666 -5.668 24.074) 25.614 11.194 ( -2.031 -2.603 -5.539) 6.448 11.891 ( 0.501 -4.829 -8.017) 9.373 12.409 ( 0.727 11.718 6.958) 13.647 12.836 ( -0.083 1.803 2.387) 2.993 12.980 ( -2.662 1.501 -20.689) 20.913 13.510 ( -2.502 2.362 -9.125) 9.752 13.797 ( 3.711 -1.344 5.600) 6.852 14.244 ( -3.823 -3.771 2.940) 6.122 14.362 ( -0.671 2.385 9.325) 9.648 14.647 ( 4.352 -0.376 4.888) 6.555 15.024 ( 0.665 2.763 -10.287) 10.673 15.309 ( -0.431 -1.401 -2.195) 2.639 16.247 ( -7.428 3.017 -1.325) 8.126 16.411 ( 2.212 4.046 -8.044) 9.271 16.474 ( 1.466 2.648 -0.216) 3.034 17.021 ( 5.701 2.322 1.907) 6.444 17.501 ( 7.810 3.156 -0.111) 8.424 17.509 ( -2.989 -10.731 4.699) 12.090 18.399 ( -3.002 -3.189 -11.576) 12.377 19.561 ( 1.619 0.154 20.913) 20.976 20.535 ( -3.194 -3.138 7.052) 8.353 22.195 ( -0.084 1.215 -4.170) 4.344 24.958 ( -0.373 -3.551 -0.972) 3.701 26.392 ( 0.948 1.787 -6.023) 6.354 26.968 ( -1.238 -0.060 0.480) 1.329 27.247 ( 1.804 -0.354 3.245) 3.729 ======================= Grid point 111 (38/227) ======================= q-point: (-0.40 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -4.708 -0.215 3.691) 5.986 3.239 ( -12.253 4.771 -2.243) 13.339 4.046 ( -4.235 6.489 -2.402) 8.112 4.353 ( 3.404 3.341 -0.057) 4.770 4.878 ( -29.196 5.036 7.228) 30.496 5.017 ( -13.617 7.446 -0.477) 15.527 5.454 ( 5.951 3.937 -1.427) 7.276 5.859 ( -17.032 -11.283 2.159) 20.544 6.586 ( 2.592 -1.074 4.545) 5.342 6.782 ( -4.313 0.751 2.902) 5.252 6.897 ( 16.926 -4.837 -6.018) 18.603 7.211 ( -1.009 7.013 -1.000) 7.155 7.592 ( -5.630 -5.237 1.457) 7.825 8.109 ( 5.588 0.053 5.334) 7.725 8.142 ( 11.032 0.547 2.331) 11.289 9.141 ( 3.006 18.917 -17.528) 25.964 9.598 ( 11.741 3.528 -3.376) 12.716 10.128 ( -8.284 1.929 -1.741) 8.682 10.761 ( -1.940 -2.662 21.627) 21.876 11.452 ( 12.457 -23.170 -4.564) 26.699 11.956 ( 0.222 -5.320 -9.029) 10.482 12.273 ( -2.023 11.680 7.320) 13.932 12.822 ( 0.073 1.995 -10.577) 10.764 12.999 ( 3.918 -5.139 -2.604) 6.967 13.503 ( 1.825 -1.204 -14.589) 14.752 13.866 ( 0.233 -4.985 3.779) 6.260 14.217 ( -5.019 -5.609 1.610) 7.697 14.361 ( 2.662 0.327 9.846) 10.205 14.760 ( 8.705 1.685 3.866) 9.673 14.998 ( 1.390 4.956 -11.189) 12.316 15.296 ( -2.031 0.093 1.623) 2.601 16.090 ( -8.639 -0.351 -4.798) 9.888 16.358 ( -1.804 4.611 -4.357) 6.596 16.539 ( 7.239 1.092 -4.958) 8.842 17.091 ( 2.720 -1.726 3.888) 5.049 17.546 ( -8.276 -16.510 8.027) 20.137 17.604 ( 9.384 8.298 3.117) 12.909 18.392 ( -0.831 -2.123 -13.660) 13.849 19.600 ( 3.139 0.922 23.640) 23.865 20.465 ( -6.837 -0.370 5.733) 8.930 22.138 ( -9.957 -6.864 -5.192) 13.161 24.998 ( -1.712 -8.132 0.310) 8.316 26.392 ( 2.232 3.454 -5.972) 7.251 26.903 ( -6.604 -1.235 -0.028) 6.719 27.287 ( 10.419 13.494 3.622) 17.429 ======================= Grid point 112 (39/227) ======================= q-point: (-0.30 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( -9.715 0.055 5.044) 10.946 2.858 ( -21.498 10.401 0.876) 23.898 3.807 ( -30.644 11.044 1.257) 32.598 4.146 ( -6.425 7.973 0.153) 10.241 4.447 ( -5.667 9.544 0.521) 11.112 4.691 ( -17.203 8.662 18.980) 27.041 5.444 ( -26.965 5.785 6.602) 28.358 5.489 ( -0.424 2.520 2.562) 3.619 6.364 ( -15.332 2.452 -0.052) 15.527 6.706 ( -2.545 7.333 1.828) 7.974 7.245 ( 4.222 -6.539 -1.173) 7.872 7.367 ( 27.141 -1.156 -1.683) 27.217 7.649 ( 3.035 -8.370 4.024) 9.771 8.254 ( 9.090 -2.207 2.074) 9.582 8.368 ( 8.769 -7.759 -1.451) 11.798 9.055 ( 5.448 11.099 -17.904) 21.758 9.808 ( 11.198 2.999 -6.254) 13.172 9.874 ( -6.345 11.684 -6.608) 14.847 10.835 ( 5.685 -4.508 18.327) 19.711 11.929 ( 12.241 -20.321 -7.631) 24.920 11.987 ( -1.358 -3.846 -12.028) 12.701 12.134 ( -1.020 8.381 9.308) 12.567 12.822 ( 4.731 4.310 -11.288) 12.976 13.178 ( 5.776 -10.519 6.295) 13.551 13.564 ( 2.821 -2.198 -15.673) 16.076 13.892 ( -2.752 -2.760 1.831) 4.306 14.201 ( -5.176 -9.564 -0.262) 10.877 14.451 ( 6.028 -1.521 5.348) 8.201 14.891 ( 7.212 2.144 -1.494) 7.671 14.977 ( 2.761 4.489 -7.727) 9.353 15.256 ( -0.022 1.756 6.344) 6.582 15.954 ( -8.806 -2.661 -6.559) 11.298 16.265 ( -2.442 5.644 -2.765) 6.743 16.693 ( 9.342 -2.874 -5.205) 11.073 17.152 ( -0.020 -5.087 5.246) 7.308 17.563 ( -9.617 -16.665 5.288) 19.954 17.642 ( 4.536 8.636 10.423) 14.276 18.402 ( 1.670 1.343 -13.583) 13.751 19.662 ( 4.998 1.500 26.398) 26.909 20.319 ( -8.844 1.691 4.432) 10.036 21.982 ( -20.533 -14.262 -7.914) 26.223 25.073 ( -3.205 -14.994 2.485) 15.533 26.397 ( 3.168 4.317 -6.033) 8.067 26.778 ( -8.248 -0.104 -0.007) 8.249 27.329 ( 17.423 25.431 2.576) 30.934 ======================= Grid point 113 (40/227) ======================= q-point: (-0.20 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -16.859 6.939 13.831) 22.884 2.298 ( -26.991 17.399 8.548) 33.232 2.948 ( -39.441 14.127 2.738) 41.984 3.779 ( -45.370 22.745 40.895) 65.178 4.168 ( 8.061 2.891 -4.315) 9.589 4.550 ( 2.171 1.544 10.234) 10.575 5.083 ( -3.076 12.504 -2.866) 13.192 5.385 ( -7.799 3.107 2.926) 8.890 6.105 ( -13.475 -1.010 -3.155) 13.876 6.503 ( -8.371 13.561 0.265) 15.939 7.431 ( 6.269 -9.878 0.169) 11.701 7.754 ( 6.385 -8.890 2.092) 11.143 7.896 ( 20.060 -6.058 2.475) 21.101 8.432 ( 7.542 -3.478 2.429) 8.653 8.567 ( 4.663 -7.075 -2.365) 8.798 9.051 ( -0.600 2.997 -21.646) 21.861 9.581 ( -5.224 10.165 -9.504) 14.864 10.052 ( 14.524 3.773 -7.654) 16.846 11.048 ( 11.014 -6.971 16.308) 20.877 11.928 ( -3.135 2.882 -15.969) 16.527 12.083 ( 3.613 7.302 11.278) 13.913 12.304 ( 7.815 -16.166 -12.419) 21.832 12.893 ( 9.381 6.430 -5.237) 12.521 13.380 ( 2.876 -12.425 9.798) 16.082 13.622 ( 0.949 -2.237 -15.589) 15.777 13.827 ( -4.392 1.728 2.053) 5.147 14.212 ( -5.480 -6.468 -6.102) 10.446 14.553 ( 2.651 -0.892 -3.015) 4.113 14.916 ( 0.681 1.159 -7.430) 7.551 15.060 ( 9.445 1.669 4.952) 10.795 15.320 ( 7.441 -2.444 6.904) 10.440 15.828 ( -9.431 -3.094 -8.383) 12.992 16.186 ( 1.352 4.777 3.701) 6.192 16.904 ( 9.441 -5.210 -4.524) 11.694 17.189 ( -3.714 -7.467 9.561) 12.687 17.535 ( -11.333 -9.117 6.596) 15.971 17.610 ( 2.302 4.666 6.982) 8.707 18.418 ( 3.939 4.266 -10.014) 11.575 19.759 ( 7.405 1.022 29.567) 30.498 20.144 ( -8.265 2.389 2.996) 9.110 21.710 ( -32.330 -22.159 -13.088) 41.323 25.207 ( -5.465 -25.939 6.213) 27.227 26.410 ( 3.521 4.153 -5.799) 7.954 26.634 ( -7.194 1.228 0.036) 7.298 27.357 ( 23.628 39.841 -1.812) 46.356 ======================= Grid point 114 (41/227) ======================= q-point: (-0.10 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -22.249 17.858 29.335) 40.920 1.522 ( -31.712 23.053 28.585) 48.521 2.443 ( -14.448 6.275 24.596) 29.207 2.775 ( -35.366 9.927 53.899) 65.225 4.276 ( 7.821 6.224 -7.325) 12.391 4.602 ( 7.949 8.123 6.258) 12.974 5.008 ( 5.659 6.796 -5.742) 10.544 5.180 ( -11.674 2.965 3.088) 12.435 5.892 ( -18.495 -5.143 -3.017) 19.432 6.151 ( -10.923 17.551 -4.945) 21.255 7.628 ( 5.168 -7.247 0.366) 8.909 7.871 ( -0.796 -6.002 3.992) 7.252 8.224 ( -5.043 -11.200 -24.694) 27.581 8.629 ( 5.271 -8.580 6.733) 12.114 8.704 ( 13.771 0.668 7.345) 15.622 8.820 ( -17.541 5.993 -17.138) 25.245 9.573 ( 11.605 0.943 -13.741) 18.010 10.239 ( 9.755 0.976 -5.819) 11.401 11.323 ( 9.868 -7.287 15.212) 19.542 11.822 ( -3.193 7.005 -16.649) 18.342 12.085 ( 4.738 6.768 7.172) 10.940 12.565 ( 8.055 -9.178 -9.970) 15.764 12.996 ( 9.836 6.161 -0.443) 11.615 13.511 ( -4.999 -13.956 5.912) 15.960 13.582 ( -10.474 -2.253 -12.932) 16.793 13.750 ( -0.864 4.795 -0.951) 4.964 14.055 ( -11.814 6.351 -7.926) 15.579 14.613 ( 10.302 0.936 2.425) 10.625 14.994 ( 7.231 -1.975 -6.514) 9.931 15.191 ( 5.610 0.721 3.035) 6.419 15.523 ( 6.628 -6.138 2.426) 9.353 15.673 ( -10.001 -0.457 -10.111) 14.229 16.350 ( 23.044 -5.022 15.394) 28.164 17.095 ( 5.131 -4.263 -0.982) 6.743 17.179 ( -5.475 -7.358 13.768) 16.543 17.357 ( -12.379 1.095 9.719) 15.776 17.681 ( 11.012 0.464 3.111) 11.452 18.454 ( 4.785 3.276 -3.741) 6.901 19.930 ( 10.876 -1.039 28.502) 30.524 20.015 ( -0.692 1.800 4.987) 5.347 21.295 ( -46.653 -30.206 -17.720) 58.335 25.448 ( -9.394 -47.861 10.246) 49.838 26.433 ( 4.215 4.282 -4.889) 7.746 26.517 ( -4.420 1.090 -0.062) 4.553 27.221 ( 15.761 65.602 -18.257) 69.896 ======================= Grid point 116 (42/227) ======================= q-point: ( 0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 35.005 -0.000 14.070) 37.727 2.104 ( 38.595 -0.000 23.484) 45.178 2.938 ( 37.386 -0.000 18.228) 41.593 3.530 ( 38.038 -0.000 27.501) 46.939 4.145 ( -2.249 0.000 -2.134) 3.100 4.415 ( -8.129 0.000 5.842) 10.010 4.995 ( 2.536 -0.000 -2.136) 3.316 5.071 ( 7.514 -0.000 -8.201) 11.123 6.033 ( 14.848 -0.000 -18.150) 23.449 6.235 ( 8.443 -0.000 -9.288) 12.552 6.961 ( -4.217 0.000 -1.751) 4.566 7.454 ( -11.515 0.000 4.871) 12.503 7.797 ( -0.838 0.000 0.199) 0.861 8.183 ( -12.648 0.000 -17.611) 21.682 8.719 ( -4.386 0.000 3.887) 5.861 9.435 ( 8.792 -0.000 -8.695) 12.366 9.994 ( -12.149 0.000 4.472) 12.946 10.156 ( -9.708 0.000 0.265) 9.712 11.235 ( -13.056 0.000 18.186) 22.387 11.550 ( -4.799 0.000 -10.409) 11.462 12.381 ( 8.184 -0.000 -0.764) 8.219 12.714 ( -9.998 0.000 -14.473) 17.591 13.001 ( -7.297 0.000 3.775) 8.216 13.163 ( 8.374 -0.000 3.548) 9.095 13.539 ( -0.668 0.000 15.944) 15.958 13.862 ( 12.957 -0.000 0.818) 12.982 14.031 ( 10.752 -0.000 -9.187) 14.143 14.711 ( -15.139 0.000 -5.576) 16.133 15.015 ( -9.907 0.000 -0.695) 9.932 15.245 ( -15.276 0.000 1.925) 15.397 15.515 ( 2.694 -0.000 -10.621) 10.958 15.827 ( 14.141 -0.000 -17.650) 22.616 16.721 ( -7.833 0.000 14.385) 16.379 16.975 ( -5.274 0.000 4.582) 6.986 17.012 ( 0.208 -0.000 5.902) 5.905 17.289 ( -3.505 0.000 8.080) 8.808 17.502 ( -6.588 0.000 -9.748) 11.765 18.535 ( -1.964 0.000 5.689) 6.019 19.567 ( -3.960 0.000 16.582) 17.048 20.188 ( 6.052 -0.000 8.966) 10.818 22.815 ( -1.383 0.000 -12.530) 12.606 24.876 ( 10.208 -0.000 -16.746) 19.612 25.986 ( 3.176 -0.000 -0.132) 3.179 26.611 ( 1.969 -0.000 5.523) 5.863 26.656 ( 9.555 -0.000 0.351) 9.561 ======================= Grid point 117 (43/227) ======================= q-point: ( 0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( 30.101 -4.631 1.558) 30.495 2.633 ( 30.908 11.949 12.230) 35.323 3.597 ( 32.860 -12.239 3.631) 35.253 4.094 ( -4.765 -2.966 1.881) 5.919 4.335 ( 21.962 -3.191 7.100) 23.301 4.422 ( 23.976 -4.991 8.280) 25.852 5.135 ( 11.291 0.378 -2.187) 11.507 5.250 ( 10.431 -11.696 1.586) 15.752 6.254 ( 13.232 -1.278 -10.861) 17.166 6.355 ( 1.975 -0.687 -13.352) 13.514 6.841 ( -10.861 -2.939 -6.105) 12.801 7.275 ( -8.074 0.484 4.201) 9.114 7.762 ( -0.692 4.690 1.523) 4.979 7.980 ( -12.932 -6.837 -11.896) 18.854 8.550 ( -13.463 2.434 2.590) 13.924 9.505 ( -2.899 1.221 -6.376) 7.110 9.818 ( 2.904 7.023 2.828) 8.109 10.039 ( -10.339 -6.381 4.812) 13.068 10.972 ( -14.415 1.764 19.770) 24.531 11.470 ( -5.887 -2.417 -10.665) 12.419 12.391 ( -10.911 10.774 -7.683) 17.151 12.552 ( 2.265 -2.480 -2.815) 4.382 12.915 ( -2.184 1.052 -7.390) 7.777 13.251 ( -2.976 -4.396 3.139) 6.167 13.592 ( 8.129 3.849 21.756) 23.542 13.995 ( 3.641 3.216 -2.126) 5.303 14.260 ( 15.629 4.257 -7.450) 17.830 14.459 ( -14.261 -2.526 -5.341) 15.436 14.857 ( -9.406 -1.229 -1.189) 9.561 14.930 ( -16.312 0.226 3.941) 16.783 15.492 ( -0.858 5.600 -4.536) 7.257 16.095 ( 13.348 -3.949 -17.008) 21.978 16.585 ( -5.389 2.026 22.033) 22.772 16.839 ( -8.091 4.117 1.168) 9.153 17.058 ( 6.096 4.235 -4.955) 8.924 17.217 ( -7.000 -5.182 10.092) 13.331 17.467 ( 3.574 3.454 -19.851) 20.464 18.483 ( -4.620 -0.631 6.161) 7.727 19.521 ( -2.163 -0.652 16.175) 16.332 20.299 ( 4.770 -2.721 7.901) 9.622 22.626 ( -0.661 19.267 -4.501) 19.797 24.988 ( 6.888 6.979 -15.726) 18.533 26.174 ( -0.055 -19.676 -4.220) 20.124 26.666 ( -0.067 -7.249 6.905) 10.011 26.862 ( 12.395 -1.406 0.383) 12.480 ======================= Grid point 118 (44/227) ======================= q-point: ( 0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 12.360 15.441 6.116) 20.702 3.062 ( 20.963 -3.942 0.218) 21.332 4.002 ( 2.594 -2.240 0.150) 3.431 4.357 ( 20.948 -14.242 1.325) 25.365 4.489 ( 15.314 8.449 0.495) 17.497 5.009 ( 21.812 -14.293 1.317) 26.111 5.250 ( 4.993 -1.797 -5.940) 7.965 5.710 ( 22.668 0.910 -2.853) 22.865 6.249 ( -9.855 5.588 -14.232) 18.190 6.570 ( 6.201 -9.588 -6.795) 13.287 6.750 ( 5.745 -8.482 4.983) 11.392 7.172 ( -3.628 -1.024 2.830) 4.713 7.685 ( -3.842 -0.930 -2.681) 4.776 7.887 ( -8.242 -6.958 -0.841) 10.819 8.250 ( -17.173 -0.048 4.661) 17.795 9.416 ( -3.249 -2.006 -1.630) 4.152 9.794 ( -2.347 8.253 1.042) 8.643 9.985 ( 2.096 0.330 0.831) 2.279 10.765 ( -9.577 -2.786 18.560) 21.070 11.382 ( -7.052 -1.801 -11.777) 13.845 12.047 ( -12.797 9.324 -2.364) 16.009 12.626 ( 4.065 2.607 -2.555) 5.463 12.886 ( -0.349 -0.117 -12.512) 12.518 13.172 ( -6.944 1.718 4.158) 8.274 13.666 ( 2.500 5.950 15.564) 16.849 13.934 ( -0.176 8.769 -2.135) 9.027 14.269 ( -10.408 -2.166 -4.681) 11.616 14.447 ( 10.109 4.070 2.060) 11.090 14.597 ( -13.600 -1.044 7.349) 15.493 14.895 ( 0.609 -8.483 -7.896) 11.605 15.402 ( -2.255 5.420 -1.245) 6.000 16.333 ( 10.476 -1.082 -16.270) 19.381 16.501 ( -2.446 3.050 14.624) 15.138 16.629 ( -9.780 4.284 1.375) 10.765 17.072 ( -0.395 3.415 3.491) 4.899 17.202 ( -3.395 -9.522 1.541) 10.226 17.533 ( 9.487 5.609 -17.998) 21.104 18.396 ( -6.340 -1.592 2.355) 6.948 19.510 ( -0.945 -1.884 16.982) 17.113 20.403 ( 2.531 -4.105 6.257) 7.899 22.443 ( -1.643 13.133 -4.277) 13.909 25.000 ( 3.717 6.921 -9.135) 12.049 26.321 ( 0.045 -9.785 -4.903) 10.945 26.745 ( -3.050 -12.027 6.291) 13.912 27.098 ( 13.843 0.556 0.277) 13.857 ======================= Grid point 119 (45/227) ======================= q-point: ( 0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 4.371 18.921 5.424) 20.163 3.336 ( 6.000 -2.256 -2.026) 6.723 4.131 ( 8.313 -5.509 -0.251) 9.976 4.400 ( -4.974 6.052 -1.073) 7.907 4.926 ( 23.276 0.678 0.153) 23.287 5.286 ( 3.289 -1.910 -4.324) 5.759 5.596 ( 11.490 -5.648 -6.928) 14.557 5.784 ( -6.482 3.113 -1.385) 7.323 6.100 ( 9.376 0.142 -11.196) 14.604 6.552 ( -8.576 -9.447 -2.179) 12.944 6.957 ( 1.832 6.529 0.245) 6.786 7.301 ( 7.547 -4.568 2.284) 9.113 7.710 ( -17.061 -3.768 -1.737) 17.558 7.796 ( 10.158 -14.926 1.592) 18.125 8.065 ( -4.690 -1.511 11.309) 12.335 9.501 ( 6.569 -8.254 -4.698) 11.548 9.636 ( -1.812 10.839 2.808) 11.342 10.013 ( 4.091 6.014 -2.246) 7.612 10.692 ( -5.239 -5.426 16.772) 18.390 11.238 ( -7.672 3.079 -10.513) 13.374 11.831 ( -5.530 0.131 -2.012) 5.886 12.626 ( 2.352 8.266 2.752) 9.024 12.886 ( -0.411 1.084 -5.246) 5.372 13.015 ( -5.812 2.858 -8.249) 10.488 13.536 ( -8.555 3.016 0.180) 9.073 13.892 ( 3.928 7.981 5.350) 10.380 14.139 ( -8.943 -4.888 -3.017) 10.629 14.405 ( -4.648 -0.870 14.903) 15.635 14.624 ( 7.890 -0.055 -0.153) 7.891 15.012 ( 3.726 -4.739 -9.474) 11.229 15.317 ( -2.456 2.557 -0.631) 3.601 16.323 ( -9.396 4.542 -4.083) 11.206 16.484 ( -0.696 2.590 2.324) 3.549 16.521 ( 5.793 2.155 -4.994) 7.946 17.019 ( -6.107 -5.093 9.804) 12.623 17.253 ( -1.081 -6.733 -0.478) 6.836 17.657 ( 11.573 6.768 -10.197) 16.844 18.316 ( -5.684 -4.291 -5.534) 9.019 19.532 ( 0.234 -2.661 19.147) 19.332 20.461 ( -0.748 -3.529 4.618) 5.860 22.270 ( -7.749 5.479 -3.830) 10.234 24.983 ( 1.822 5.317 -5.252) 7.692 26.398 ( 1.783 -2.836 -4.595) 5.686 26.796 ( -4.900 -10.646 5.486) 12.940 27.324 ( 14.888 4.279 -0.112) 15.492 ======================= Grid point 120 (46/227) ======================= q-point: (-0.50 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 1.647 16.508 4.310) 17.141 3.327 ( -5.829 3.606 -2.888) 7.438 4.215 ( -3.198 9.293 -2.073) 10.043 4.367 ( 10.128 -2.842 -2.031) 10.714 5.020 ( -18.307 8.817 2.870) 20.521 5.245 ( 1.731 15.232 -3.126) 15.646 5.460 ( -7.423 -10.474 6.395) 14.343 5.723 ( -4.244 5.301 -10.496) 12.501 6.500 ( -7.634 -14.336 -2.448) 16.425 6.617 ( 28.992 -5.124 1.789) 29.495 6.886 ( -2.496 2.315 -1.700) 3.806 7.338 ( -0.318 1.985 0.222) 2.023 7.471 ( -12.613 -5.543 -0.388) 13.783 8.050 ( 0.318 -4.102 5.739) 7.061 8.144 ( 10.987 -1.993 3.867) 11.817 9.544 ( 5.246 15.213 -7.303) 17.672 9.700 ( 10.439 2.645 -9.577) 14.412 10.061 ( 3.900 -3.065 5.593) 7.475 10.678 ( -2.422 -4.650 17.183) 17.965 11.157 ( 2.011 -4.278 -8.931) 10.105 11.820 ( -1.067 -6.752 -5.069) 8.510 12.519 ( -3.319 11.138 9.796) 15.199 12.836 ( -0.789 1.606 2.799) 3.322 12.969 ( 1.008 0.387 -17.134) 17.168 13.425 ( -3.811 -5.238 -10.231) 12.110 13.877 ( 2.060 5.071 5.229) 7.569 14.046 ( -9.252 -7.717 -2.060) 12.223 14.399 ( 1.562 -0.894 16.257) 16.356 14.762 ( 7.955 -0.067 -2.547) 8.353 15.094 ( 4.050 2.440 -7.899) 9.206 15.266 ( -2.740 -1.514 -0.960) 3.274 16.104 ( -10.966 1.735 -3.790) 11.731 16.429 ( -2.472 1.830 1.697) 3.513 16.603 ( 7.358 5.260 -9.233) 12.924 16.981 ( -7.846 -10.807 12.918) 18.581 17.295 ( -1.369 -5.420 0.424) 5.606 17.758 ( 7.299 6.445 3.510) 10.351 18.305 ( -1.211 -5.946 -16.313) 17.405 19.580 ( 1.660 -2.765 22.285) 22.517 20.445 ( -4.161 -1.423 3.156) 5.413 22.045 ( -16.152 -1.896 -3.223) 16.580 24.956 ( 0.409 3.159 -2.971) 4.356 26.448 ( 2.943 0.912 -5.039) 5.906 26.795 ( -5.504 -6.525 5.053) 9.920 27.529 ( 16.485 8.637 -0.817) 18.628 ======================= Grid point 121 (47/227) ======================= q-point: (-0.40 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 1.070 14.729 4.679) 15.492 3.070 ( -14.726 9.872 -1.695) 17.810 4.078 ( -5.227 13.499 -2.751) 14.735 4.364 ( -23.144 14.092 4.251) 27.428 4.552 ( 3.243 1.577 0.202) 3.612 4.999 ( -14.673 17.519 9.528) 24.758 5.385 ( -14.064 -9.356 2.399) 17.061 5.632 ( 3.027 11.209 -2.584) 11.895 6.421 ( -10.179 -0.611 4.232) 11.041 6.821 ( 0.831 2.576 1.324) 3.013 7.056 ( 4.261 -9.055 -7.217) 12.338 7.384 ( 3.767 -6.296 -0.874) 7.389 7.460 ( 11.191 -1.207 4.116) 11.985 8.134 ( 2.864 -6.749 4.461) 8.582 8.278 ( 6.258 -0.782 -0.535) 6.329 9.424 ( 3.823 21.640 -14.459) 26.305 9.867 ( 9.906 2.245 -6.101) 11.849 10.079 ( 0.513 7.044 -2.036) 7.351 10.732 ( 2.687 -5.449 17.221) 18.262 11.447 ( 13.178 -21.043 -7.869) 26.046 11.889 ( -0.143 -7.089 -7.726) 10.487 12.334 ( -3.898 9.596 12.307) 16.086 12.848 ( 2.694 -0.777 -3.919) 4.818 13.035 ( 5.543 -2.953 -5.041) 8.053 13.485 ( 2.197 -6.303 -17.261) 18.507 13.871 ( 1.053 0.824 4.460) 4.656 13.970 ( -9.653 -9.262 -0.792) 13.401 14.462 ( 3.958 -1.249 14.607) 15.185 14.895 ( 6.708 0.209 -9.512) 11.642 15.099 ( 1.913 5.222 -2.452) 6.078 15.251 ( -0.801 -1.441 -1.049) 1.954 15.915 ( -10.128 -1.032 -4.480) 11.122 16.358 ( -3.110 2.631 -0.217) 4.079 16.683 ( 6.709 1.660 -7.049) 9.872 16.973 ( -7.104 -12.358 13.986) 19.970 17.317 ( -2.225 -5.095 -0.290) 5.567 17.774 ( 0.772 3.875 14.190) 14.730 18.378 ( 3.633 -3.372 -21.559) 22.122 19.654 ( 3.293 -2.387 25.947) 26.264 20.352 ( -6.400 1.333 2.039) 6.848 21.736 ( -25.768 -8.583 -2.987) 27.323 24.935 ( -0.727 0.143 -1.353) 1.542 26.477 ( 2.563 2.614 -5.767) 6.830 26.746 ( -4.813 -1.649 4.771) 6.975 27.726 ( 19.280 12.963 -2.503) 23.367 ======================= Grid point 122 (48/227) ======================= q-point: (-0.30 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 2.206 17.297 8.358) 19.337 2.644 ( -17.586 16.762 4.493) 24.707 3.384 ( -34.955 26.989 6.444) 44.629 4.212 ( -2.445 4.418 3.814) 6.328 4.331 ( -25.684 23.057 14.316) 37.366 4.635 ( 5.331 5.663 6.903) 10.399 5.257 ( -3.554 2.802 -3.268) 5.582 5.517 ( -3.965 10.195 0.347) 10.944 6.193 ( -8.034 9.820 1.465) 12.772 6.788 ( 0.334 11.365 2.221) 11.584 7.163 ( 0.032 -14.535 -6.055) 15.745 7.528 ( 0.618 -13.797 1.465) 13.889 7.756 ( 13.178 -4.718 3.005) 14.316 8.274 ( 2.892 -9.562 4.162) 10.822 8.451 ( 11.008 -3.734 -2.972) 11.999 9.259 ( 0.029 16.872 -14.524) 22.262 9.791 ( -7.019 8.854 -5.723) 12.665 10.150 ( 12.165 5.650 -9.467) 16.417 10.895 ( 7.783 -7.632 16.324) 19.629 11.876 ( 5.106 -16.726 -8.269) 19.344 11.940 ( 2.090 -8.697 -11.393) 14.485 12.251 ( 4.934 6.788 11.419) 14.171 12.951 ( 7.758 -0.979 -4.842) 9.198 13.187 ( 5.513 -5.392 2.455) 8.093 13.566 ( 0.609 -3.084 -17.919) 18.192 13.861 ( -2.236 1.833 -0.317) 2.909 13.958 ( -3.645 -14.191 2.803) 14.917 14.569 ( 5.918 -2.109 10.434) 12.179 14.919 ( -2.881 1.787 -17.152) 17.484 15.122 ( 5.414 1.223 5.289) 7.667 15.275 ( 3.213 -0.114 -1.409) 3.510 15.770 ( -8.734 -2.406 -5.157) 10.425 16.274 ( -2.458 3.095 1.347) 4.176 16.802 ( 2.738 -7.524 -1.202) 8.097 16.997 ( -1.911 -7.731 10.756) 13.383 17.322 ( -3.869 -5.761 -2.111) 7.253 17.730 ( -1.207 2.886 18.622) 18.883 18.468 ( 4.861 0.264 -19.441) 20.041 19.752 ( 4.713 -2.079 29.725) 30.168 20.211 ( -6.169 3.780 1.456) 7.380 21.314 ( -36.468 -14.000 -2.797) 39.163 24.931 ( -1.844 -3.722 0.585) 4.194 26.476 ( 0.027 2.019 -5.884) 6.221 26.675 ( -2.065 3.211 4.180) 5.661 27.935 ( 22.663 17.117 -7.471) 29.367 ======================= Grid point 123 (49/227) ======================= q-point: (-0.20 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.368 30.228 16.991) 34.678 2.113 ( -18.399 28.374 17.046) 37.870 2.626 ( -16.249 17.093 8.552) 25.087 3.325 ( -37.963 36.643 43.915) 68.647 4.355 ( 9.805 2.031 -6.880) 12.149 4.741 ( 12.719 4.491 2.920) 13.801 5.166 ( -4.113 4.963 -1.392) 6.594 5.321 ( -5.550 8.212 -4.815) 11.019 5.980 ( -2.432 14.574 -6.176) 16.015 6.574 ( -4.541 21.274 -2.578) 21.906 7.366 ( 2.797 -16.944 -3.415) 17.510 7.644 ( -5.147 -13.884 2.504) 15.018 7.949 ( -3.602 -12.617 -0.256) 13.124 8.418 ( 1.091 -10.810 3.781) 11.504 8.718 ( 17.385 -0.181 3.932) 17.825 9.011 ( -11.302 13.404 -14.138) 22.523 9.637 ( 0.291 5.315 -9.129) 10.568 10.277 ( 8.041 2.805 -8.245) 11.854 11.140 ( 8.343 -9.814 15.743) 20.341 11.877 ( -3.502 -1.369 -14.624) 15.100 12.195 ( 5.643 -7.769 1.084) 9.663 12.367 ( 10.940 -1.381 -3.793) 11.661 13.101 ( 8.579 1.064 -3.105) 9.185 13.291 ( -0.764 -4.406 4.936) 6.661 13.532 ( -7.980 -2.979 -9.757) 12.952 13.819 ( 0.992 2.761 -2.434) 3.812 14.043 ( -3.720 -7.894 -1.881) 8.927 14.685 ( 7.737 3.399 0.510) 8.466 14.895 ( 2.423 -6.845 -6.065) 9.461 15.206 ( 3.644 -0.222 3.306) 4.926 15.375 ( 4.868 -4.564 -3.982) 7.770 15.651 ( -7.076 -1.532 -5.922) 9.353 16.260 ( 3.949 -2.309 8.612) 9.752 16.888 ( -7.283 -15.657 9.918) 19.914 17.093 ( 7.769 -0.193 0.052) 7.772 17.276 ( -8.722 -5.272 1.046) 10.245 17.729 ( 5.508 2.304 18.008) 18.972 18.528 ( 4.087 2.584 -13.467) 14.309 19.882 ( 6.962 -3.681 31.861) 32.820 20.087 ( -1.914 4.901 3.539) 6.341 20.746 ( -46.676 -15.947 -0.144) 49.326 24.945 ( -3.792 -8.006 3.894) 9.677 26.439 ( -2.368 0.083 -4.746) 5.305 26.620 ( 1.345 6.288 2.924) 7.064 28.124 ( 20.144 22.619 -22.352) 37.643 ======================= Grid point 124 (50/227) ======================= q-point: (-0.10 0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( -9.650 33.010 24.949) 42.489 1.650 ( -1.865 33.644 40.634) 52.787 2.354 ( -3.103 41.255 48.562) 63.796 2.680 ( 9.552 -2.864 25.154) 27.059 4.508 ( 9.178 2.263 -10.493) 14.123 4.849 ( -6.596 4.103 2.329) 8.109 5.128 ( 3.640 -0.905 -2.744) 4.648 5.179 ( 5.359 4.531 -5.525) 8.932 5.679 ( -7.315 39.538 -28.557) 49.318 6.261 ( -1.069 21.948 -5.353) 22.617 7.442 ( -26.657 -10.339 1.190) 28.617 7.616 ( -4.613 -12.096 5.434) 14.040 7.853 ( -10.146 -3.318 0.699) 10.697 8.503 ( -4.682 -7.035 -4.209) 9.440 8.716 ( -3.403 6.754 -4.742) 8.927 9.056 ( 17.976 -1.159 6.577) 19.177 9.713 ( 6.816 -9.757 -8.207) 14.457 10.395 ( 8.381 1.757 -5.158) 9.997 11.340 ( 1.259 -9.558 15.548) 18.295 11.808 ( -4.324 2.471 -19.756) 20.375 12.277 ( 4.311 8.189 -3.250) 9.809 12.593 ( 5.527 -12.063 -0.635) 13.284 13.115 ( -12.632 0.024 -2.729) 12.923 13.278 ( 6.434 6.481 2.289) 9.415 13.435 ( -3.088 -3.796 2.064) 5.311 13.799 ( -1.364 6.668 -0.147) 6.807 13.932 ( -6.929 1.190 -0.746) 7.070 14.877 ( 11.409 -5.863 -8.118) 15.180 15.099 ( 8.406 -4.564 -2.922) 10.001 15.233 ( -1.815 -1.945 0.733) 2.759 15.472 ( 3.044 -1.998 -15.156) 15.587 15.584 ( -2.233 -1.836 -2.151) 3.603 16.573 ( 15.486 -23.135 11.549) 30.140 16.888 ( -9.088 -12.050 7.860) 17.017 17.144 ( -9.789 -3.290 7.670) 12.864 17.228 ( 6.347 -0.390 -2.505) 6.835 17.894 ( 4.879 -8.982 21.975) 24.236 18.558 ( 2.737 2.642 -4.552) 5.932 20.002 ( -6.354 0.934 3.238) 7.192 20.085 ( -30.846 -8.322 14.842) 35.228 20.324 ( 37.862 -19.417 32.373) 53.466 24.949 ( -8.310 -11.510 9.318) 16.981 26.411 ( -1.232 -1.561 -4.142) 4.594 26.590 ( 2.423 6.228 2.602) 7.172 27.907 ( -14.017 49.126 -48.959) 70.759 ======================= Grid point 127 (51/227) ======================= q-point: ( 0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.702 ( 22.555 -0.000 -1.329) 22.595 3.067 ( 12.241 -0.000 7.430) 14.320 4.008 ( -1.903 0.000 2.712) 3.313 4.141 ( 31.690 -0.000 -1.021) 31.706 4.719 ( 18.672 -0.000 1.939) 18.773 4.727 ( 24.169 -0.000 -0.898) 24.186 5.223 ( 2.158 -0.000 -8.824) 9.084 5.727 ( 35.468 -0.000 1.059) 35.484 6.355 ( -3.596 0.000 -13.133) 13.617 6.459 ( 6.584 -0.000 -6.663) 9.367 6.588 ( -4.426 0.000 2.310) 4.992 7.187 ( -2.367 0.000 2.549) 3.479 7.654 ( -17.563 0.000 -8.373) 19.457 7.807 ( 0.327 -0.000 3.926) 3.939 8.255 ( -19.487 0.000 3.749) 19.844 9.401 ( -6.380 0.000 -0.677) 6.416 9.887 ( -4.649 0.000 7.199) 8.570 9.988 ( 10.131 -0.000 -3.591) 10.749 10.734 ( -12.579 0.000 19.448) 23.161 11.357 ( -5.509 0.000 -12.954) 14.077 12.170 ( -17.013 0.000 -3.677) 17.406 12.620 ( 5.285 -0.000 -15.165) 16.059 12.897 ( -0.446 0.000 -6.990) 7.005 13.177 ( -4.155 0.000 12.781) 13.440 13.768 ( 7.609 -0.000 24.054) 25.229 14.045 ( -2.377 0.000 -10.115) 10.390 14.194 ( -13.140 0.000 -3.630) 13.632 14.517 ( 2.943 -0.000 3.233) 4.372 14.649 ( -4.480 0.000 0.224) 4.486 14.728 ( -4.658 0.000 -4.630) 6.567 15.468 ( -4.484 0.000 1.374) 4.690 16.318 ( 14.089 -0.000 -16.977) 22.062 16.529 ( -2.631 0.000 15.695) 15.914 16.702 ( -10.682 0.000 -2.293) 10.925 17.019 ( -11.778 0.000 13.091) 17.609 17.163 ( 4.092 -0.000 -5.008) 6.467 17.597 ( 9.198 -0.000 -25.161) 26.790 18.379 ( -7.178 0.000 10.012) 12.319 19.486 ( -1.654 0.000 16.031) 16.116 20.358 ( 3.290 -0.000 5.257) 6.202 22.604 ( -9.117 0.000 -4.189) 10.033 25.119 ( 3.342 -0.000 -17.837) 18.148 26.123 ( 4.492 -0.000 1.943) 4.894 26.645 ( 0.689 -0.000 9.072) 9.098 27.107 ( 15.499 -0.000 -1.787) 15.601 ======================= Grid point 128 (52/227) ======================= q-point: ( 0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 8.556 17.087 0.994) 19.135 3.244 ( 6.803 -7.031 -0.212) 9.785 4.043 ( 5.480 -2.368 1.436) 6.140 4.456 ( 3.674 -0.224 3.794) 5.286 5.009 ( 15.599 4.895 -8.553) 18.451 5.225 ( 20.642 0.120 -4.446) 21.116 5.445 ( 27.235 -8.958 -2.921) 28.819 5.908 ( -12.330 6.516 -6.658) 15.454 6.182 ( -5.957 7.014 -12.911) 15.854 6.389 ( -2.380 -7.521 -5.339) 9.526 7.097 ( 19.344 2.281 2.798) 19.678 7.153 ( 11.359 -2.759 6.232) 13.246 7.417 ( -10.197 -13.868 -0.189) 17.214 7.680 ( -17.445 -1.565 -3.642) 17.889 8.052 ( -1.375 -0.311 12.878) 12.955 9.364 ( 1.659 -3.171 1.892) 4.048 9.808 ( -1.543 4.950 6.898) 8.629 10.138 ( 7.988 3.470 -7.888) 11.751 10.597 ( -4.788 -3.011 15.347) 16.356 11.265 ( -5.170 0.026 -15.485) 16.325 11.882 ( -12.590 2.889 -0.947) 12.951 12.704 ( 4.020 -0.287 -13.737) 14.316 12.894 ( 1.157 1.275 -7.382) 7.580 13.078 ( -6.922 1.665 14.029) 15.732 13.710 ( -9.318 12.875 4.024) 16.395 13.974 ( -3.657 -6.075 2.050) 7.381 14.029 ( -8.947 -2.505 1.162) 9.364 14.387 ( -5.918 1.212 12.579) 13.954 14.669 ( 5.545 3.737 -4.494) 8.056 14.867 ( 8.378 -7.477 -7.298) 13.392 15.370 ( -5.200 1.621 2.562) 6.019 16.433 ( -8.966 5.480 -8.577) 13.564 16.503 ( -4.370 -0.710 4.012) 5.975 16.567 ( 11.103 1.754 -3.994) 11.930 16.838 ( -13.762 -7.882 13.875) 21.072 17.221 ( 3.246 0.474 -2.960) 4.419 17.762 ( 11.426 2.907 -23.720) 26.488 18.244 ( -9.096 -2.095 8.425) 12.575 19.476 ( -0.782 -1.882 16.829) 16.952 20.407 ( 1.051 -1.462 3.006) 3.504 22.376 ( -14.269 3.443 -3.785) 15.158 25.123 ( 1.904 5.876 -12.051) 13.542 26.248 ( 3.402 -7.962 0.912) 8.707 26.676 ( 1.541 -1.463 8.601) 8.860 27.381 ( 16.456 1.266 -2.627) 16.712 ======================= Grid point 129 (53/227) ======================= q-point: ( 0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.773 ( 3.277 21.906 0.625) 22.158 3.355 ( -1.312 -2.130 -3.560) 4.352 4.252 ( 11.782 -6.812 -0.703) 13.627 4.406 ( -1.261 8.440 -0.024) 8.534 5.095 ( -4.666 -8.438 -4.117) 10.484 5.340 ( -20.271 9.398 3.174) 22.568 5.630 ( 20.133 18.902 -3.384) 27.822 5.905 ( -3.217 10.229 -9.882) 14.582 6.106 ( 4.791 -19.139 -7.506) 21.109 6.559 ( 16.098 -6.184 1.638) 17.323 6.920 ( -10.737 1.969 1.659) 11.042 7.261 ( -12.567 -6.894 -0.322) 14.338 7.416 ( -2.906 -0.813 -2.062) 3.655 7.910 ( 20.612 -8.745 0.686) 22.401 8.099 ( 6.330 -1.512 11.738) 13.421 9.544 ( 10.111 -10.125 4.826) 15.101 9.764 ( 4.867 7.455 2.962) 9.383 10.190 ( 5.610 7.843 -10.416) 14.194 10.601 ( 0.236 -2.433 10.780) 11.054 11.165 ( -3.716 2.120 -15.022) 15.619 11.722 ( -4.858 -2.180 -0.296) 5.333 12.697 ( -4.606 5.278 7.523) 10.279 12.902 ( 0.884 3.214 -1.232) 3.554 12.971 ( 0.267 0.336 -9.604) 9.613 13.400 ( -11.229 4.930 -3.175) 12.668 13.878 ( -12.002 -8.519 -2.721) 14.967 13.991 ( -0.278 2.499 8.448) 8.814 14.341 ( -0.650 -2.005 13.476) 13.640 14.771 ( 7.927 0.421 -5.760) 9.807 15.067 ( 7.917 -3.569 -5.941) 10.522 15.267 ( -5.096 0.836 1.006) 5.261 16.166 ( -13.080 4.195 -5.676) 14.863 16.439 ( -4.729 -0.857 3.958) 6.226 16.681 ( -7.572 -5.373 2.484) 9.611 16.765 ( 6.195 -0.481 3.165) 6.973 17.268 ( 2.737 0.596 -1.233) 3.060 17.878 ( 4.569 5.423 -2.483) 7.513 18.163 ( -3.143 -7.324 -10.930) 13.527 19.506 ( 0.528 -3.623 19.311) 19.655 20.417 ( -1.631 -1.107 1.075) 2.245 22.044 ( -20.929 1.099 -2.734) 21.136 25.078 ( 1.118 7.071 -7.013) 10.022 26.377 ( 2.095 -7.010 -0.755) 7.355 26.722 ( 2.385 -0.184 7.341) 7.721 27.646 ( 16.699 3.159 -3.348) 17.321 ======================= Grid point 130 (54/227) ======================= q-point: (-0.50 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 3.066 20.957 -0.421) 21.184 3.240 ( -8.802 5.681 -3.977) 11.206 4.308 ( 1.921 8.764 -3.034) 9.471 4.517 ( 5.598 -4.424 -1.606) 7.313 4.745 ( -19.235 21.147 5.395) 29.090 5.059 ( -19.560 -13.307 4.611) 24.103 5.463 ( -5.354 20.145 -0.294) 20.847 5.912 ( 10.567 13.422 -3.820) 17.504 6.248 ( -4.596 -13.314 -1.393) 14.153 6.789 ( -4.758 -4.847 0.364) 6.802 6.937 ( 11.186 -5.101 -0.923) 12.329 7.126 ( -10.211 -12.420 1.499) 16.148 7.545 ( 16.850 3.516 -0.061) 17.213 8.055 ( 2.087 -0.450 6.303) 6.655 8.318 ( 10.604 3.497 -1.379) 11.250 9.791 ( 7.210 9.391 -1.575) 11.943 9.837 ( 8.249 -5.163 -1.629) 9.866 10.205 ( 7.093 7.575 -7.817) 12.992 10.637 ( 1.020 -2.481 10.891) 11.216 11.170 ( 5.197 -5.584 -12.158) 14.353 11.738 ( 0.382 -6.342 -3.932) 7.471 12.490 ( -9.819 5.022 14.418) 18.152 12.865 ( 0.111 3.792 2.866) 4.754 13.024 ( 5.047 0.941 -12.257) 13.289 13.328 ( 1.613 -7.176 -10.287) 12.646 13.767 ( -10.837 -8.243 -0.367) 13.620 13.947 ( -1.872 1.761 3.318) 4.197 14.380 ( 0.039 -5.047 14.978) 15.805 14.912 ( 8.748 1.089 -9.293) 12.809 15.163 ( -4.396 1.152 1.242) 4.711 15.220 ( 5.241 -1.522 -6.612) 8.573 15.915 ( -12.040 1.188 -5.067) 13.117 16.361 ( -6.237 -2.795 2.608) 7.316 16.591 ( -10.546 -10.074 8.782) 17.024 16.893 ( 10.665 5.980 -1.828) 12.362 17.297 ( 1.629 1.396 -0.789) 2.286 17.812 ( -6.010 0.404 16.320) 17.396 18.278 ( 6.187 -5.771 -25.464) 26.832 19.575 ( 2.062 -4.606 23.022) 23.569 20.372 ( -3.555 0.723 -0.419) 3.652 21.627 ( -27.886 -2.580 -1.598) 28.051 25.019 ( 0.383 6.523 -3.914) 7.617 26.458 ( 0.331 -4.382 -1.716) 4.717 26.759 ( 3.250 2.934 5.719) 7.203 27.898 ( 17.017 4.574 -4.512) 18.190 ======================= Grid point 131 (55/227) ======================= q-point: (-0.40 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 2.833 18.020 -1.660) 18.317 2.976 ( -8.430 14.105 0.973) 16.461 3.989 ( -27.061 28.011 5.545) 39.340 4.280 ( 1.090 4.685 -0.938) 4.901 4.656 ( -20.488 5.211 9.992) 23.383 4.755 ( 4.971 5.564 4.118) 8.523 5.294 ( -1.396 5.002 -1.259) 5.343 5.788 ( -5.730 14.998 0.987) 16.086 6.353 ( 5.018 -3.287 1.036) 6.088 6.799 ( 0.512 -3.569 -2.664) 4.483 7.028 ( -1.328 -0.609 -0.495) 1.542 7.176 ( -3.106 -18.289 1.985) 18.657 7.779 ( 10.387 6.052 0.240) 12.024 8.117 ( 2.239 -4.648 4.036) 6.550 8.457 ( 15.488 5.616 -0.496) 16.482 9.675 ( -0.704 20.744 -10.617) 23.314 9.915 ( -2.658 2.742 -2.845) 4.762 10.277 ( 8.804 6.041 -9.977) 14.613 10.734 ( 4.511 -7.630 15.846) 18.156 11.458 ( 11.115 -18.080 -8.229) 22.763 11.811 ( -0.462 -5.861 -9.421) 11.105 12.339 ( -2.600 0.966 11.825) 12.146 12.893 ( 4.289 -2.928 1.829) 5.505 13.136 ( 8.171 -0.293 -6.445) 10.411 13.485 ( 5.153 -5.392 -14.260) 16.092 13.682 ( -8.377 -10.721 1.996) 13.751 13.901 ( -2.276 -0.046 1.527) 2.741 14.448 ( 0.210 -7.664 15.455) 17.252 14.983 ( -2.110 3.511 -17.310) 17.788 15.101 ( 1.548 -1.520 4.938) 5.394 15.312 ( 5.103 1.641 -7.315) 9.069 15.729 ( -9.353 -1.463 -4.448) 10.460 16.287 ( -5.762 -2.967 1.247) 6.600 16.539 ( -8.606 -12.234 11.411) 18.813 17.016 ( 11.070 6.465 -1.748) 12.938 17.288 ( -1.246 1.460 -0.459) 1.974 17.725 ( -4.846 -2.911 19.571) 20.371 18.434 ( 6.179 -3.286 -23.846) 24.852 19.676 ( 3.125 -4.872 27.021) 27.634 20.287 ( -3.402 3.359 -0.874) 4.860 21.129 ( -33.660 -4.909 -0.588) 34.021 24.961 ( -0.009 5.015 -2.186) 5.471 26.476 ( -1.742 -1.849 -2.021) 3.246 26.774 ( 3.610 5.980 4.108) 8.104 28.145 ( 16.973 4.838 -7.240) 19.076 ======================= Grid point 132 (56/227) ======================= q-point: (-0.30 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( 0.138 13.903 -3.814) 14.418 2.683 ( -1.700 25.513 13.357) 28.848 3.226 ( -20.394 35.862 8.526) 42.127 3.966 ( -23.675 19.385 22.911) 38.226 4.418 ( 5.111 5.723 -2.417) 8.045 4.843 ( 10.021 6.076 2.946) 12.084 5.233 ( -2.520 2.807 -1.205) 3.960 5.492 ( -11.493 10.021 0.810) 15.269 6.398 ( 10.733 20.750 -6.206) 24.172 6.900 ( 2.274 0.961 4.099) 4.785 6.983 ( -2.910 -11.071 -8.683) 14.368 7.334 ( -2.936 -17.421 2.828) 17.892 7.781 ( -4.084 -0.535 4.292) 5.948 8.219 ( 1.631 -7.447 2.703) 8.089 8.743 ( 20.635 4.399 1.687) 21.166 9.362 ( -10.161 19.628 -11.462) 24.897 9.773 ( -4.292 7.285 -7.044) 11.005 10.354 ( 6.185 4.437 -8.998) 11.786 10.929 ( 5.677 -10.232 17.179) 20.785 11.795 ( 1.430 -8.631 -9.616) 13.000 11.864 ( 4.124 -15.307 -4.276) 16.419 12.389 ( 5.954 -1.761 1.764) 6.455 13.035 ( 5.028 -5.524 0.273) 7.474 13.283 ( 7.986 0.911 -2.342) 8.372 13.472 ( -8.036 -2.807 -8.120) 11.764 13.797 ( 4.817 -9.229 -3.997) 11.151 13.876 ( -2.229 -3.181 2.005) 4.371 14.573 ( 2.967 -11.944 15.891) 20.100 14.851 ( -5.696 2.019 -13.361) 14.664 15.168 ( 1.159 -2.392 1.988) 3.320 15.375 ( 5.562 2.410 -14.187) 15.427 15.615 ( -5.904 -1.929 -3.396) 7.079 16.226 ( -3.909 -2.597 2.164) 5.168 16.553 ( -5.929 -13.943 12.316) 19.525 17.139 ( 9.301 4.383 -1.909) 10.458 17.212 ( -7.333 -0.958 3.965) 8.391 17.737 ( 3.207 -1.491 18.059) 18.402 18.542 ( 4.093 -1.052 -20.008) 20.449 19.787 ( 2.863 -5.179 30.154) 30.729 20.201 ( -0.598 5.743 1.089) 5.876 20.577 ( -32.825 -3.064 0.157) 32.968 24.917 ( -0.160 3.107 -0.879) 3.233 26.444 ( -2.570 0.047 -2.665) 3.702 26.762 ( 2.876 7.370 3.531) 8.663 28.366 ( 12.861 4.348 -13.630) 19.237 ======================= Grid point 133 (57/227) ======================= q-point: (-0.20 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -9.639 26.591 0.719) 28.293 2.369 ( -3.711 33.750 24.720) 41.999 2.723 ( 4.551 21.083 10.102) 23.817 3.414 ( 2.516 41.230 34.057) 53.536 4.503 ( 5.673 -0.966 -3.757) 6.872 4.932 ( -1.714 4.704 2.270) 5.497 5.134 ( -0.795 2.645 -2.154) 3.502 5.261 ( -2.456 5.805 -0.184) 6.306 6.346 ( 11.195 26.574 -24.998) 38.162 6.732 ( -3.355 18.755 -4.669) 19.616 7.214 ( 2.136 -18.006 -2.704) 18.333 7.327 ( -13.623 -8.474 8.838) 18.317 7.709 ( -8.415 -8.083 7.065) 13.640 8.310 ( -1.269 -8.825 1.575) 9.053 8.924 ( -7.498 8.159 -1.498) 11.182 9.096 ( 14.452 8.803 -4.156) 17.424 9.662 ( -1.834 3.139 -8.163) 8.936 10.425 ( 6.606 1.632 -5.746) 8.907 11.109 ( 0.634 -11.658 17.426) 20.976 11.797 ( -2.519 -2.337 -15.004) 15.393 12.161 ( 5.698 -16.679 1.882) 17.726 12.492 ( 2.036 -0.498 -3.042) 3.695 13.099 ( -4.556 -1.653 -3.060) 5.732 13.346 ( -1.607 -3.470 -2.426) 4.529 13.412 ( 5.150 3.921 -0.420) 6.486 13.865 ( -0.081 -1.594 -0.555) 1.690 13.895 ( -4.987 -3.761 -2.601) 6.766 14.775 ( 4.576 -6.659 3.104) 8.655 14.856 ( 3.158 -13.036 -0.760) 13.434 15.170 ( -4.646 -4.065 3.182) 6.945 15.479 ( 9.616 1.253 -23.143) 25.092 15.554 ( -2.117 -0.232 -2.134) 3.015 16.254 ( 1.899 -8.973 7.817) 12.051 16.607 ( -4.821 -13.168 8.963) 16.643 17.073 ( -10.114 -3.126 9.119) 13.972 17.242 ( 6.231 1.971 -2.331) 6.938 17.814 ( 0.194 -0.965 18.063) 18.089 18.591 ( 1.660 0.514 -14.705) 14.807 19.825 ( -12.593 -6.833 28.638) 32.022 20.163 ( 6.565 6.916 1.490) 9.652 20.249 ( 4.397 1.233 7.484) 8.767 24.887 ( -0.566 1.815 0.696) 2.025 26.402 ( -1.459 0.401 -4.243) 4.504 26.728 ( 1.790 7.022 4.344) 8.449 28.406 ( -3.884 9.092 -24.557) 26.473 ======================= Grid point 134 (58/227) ======================= q-point: (-0.10 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 5.426 24.820 13.819) 28.921 1.939 ( 2.520 35.869 27.631) 45.347 2.866 ( 22.143 7.897 11.363) 26.111 3.329 ( 35.940 42.236 33.668) 64.877 4.557 ( -3.936 -0.978 -1.582) 4.353 4.664 ( -17.002 6.448 1.637) 18.258 5.016 ( -3.104 6.438 -1.885) 7.392 5.416 ( 12.918 0.364 -2.081) 13.089 6.101 ( -2.012 33.733 -34.511) 48.301 6.490 ( 0.069 17.403 -7.782) 19.064 7.072 ( -7.603 2.406 9.924) 12.731 7.439 ( -2.008 -13.321 5.133) 14.417 7.673 ( -4.981 -8.331 0.717) 9.733 8.344 ( -4.918 -6.642 -4.331) 9.331 8.725 ( -3.654 4.564 -1.715) 6.093 9.314 ( 11.556 1.601 -4.019) 12.339 9.651 ( -1.254 -6.734 -3.095) 7.517 10.518 ( 2.169 1.017 -1.832) 3.016 11.180 ( -5.986 -10.709 16.077) 20.223 11.749 ( -4.055 1.517 -16.275) 16.841 12.332 ( -1.313 -3.301 -3.248) 4.814 12.480 ( -3.140 -9.159 9.905) 13.851 12.998 ( -3.083 1.594 -6.957) 7.775 13.344 ( -1.046 -0.927 5.300) 5.481 13.532 ( 7.880 1.941 -6.307) 10.278 13.773 ( -3.851 2.997 1.674) 5.159 13.893 ( 1.014 -1.927 -0.246) 2.191 14.882 ( -2.617 -3.322 -9.277) 10.195 15.011 ( -1.837 -15.224 3.199) 15.664 15.109 ( -6.595 -3.873 1.104) 7.727 15.500 ( -5.007 -1.884 -3.737) 6.526 15.721 ( 17.732 3.408 -21.898) 28.383 16.504 ( 6.135 -21.703 14.617) 26.876 16.646 ( -4.408 -10.400 4.606) 12.199 16.971 ( -5.823 -4.770 7.383) 10.544 17.313 ( 3.659 1.103 -2.288) 4.454 17.678 ( -15.210 -0.026 17.760) 23.383 18.590 ( -0.515 0.938 -7.527) 7.602 19.646 ( -8.212 -1.532 18.872) 20.638 20.201 ( 6.520 7.342 8.906) 13.256 20.881 ( 47.352 -26.038 7.889) 54.612 24.854 ( -0.792 2.130 1.466) 2.705 26.396 ( 0.621 -0.727 -6.446) 6.517 26.690 ( 1.720 5.776 5.623) 8.242 27.908 ( -26.932 33.963 -27.795) 51.492 ======================= Grid point 138 (59/227) ======================= q-point: ( 0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.139 ( 2.912 -0.000 -4.303) 5.196 3.217 ( 0.950 -0.000 -1.672) 1.923 4.164 ( 10.446 -0.000 0.922) 10.487 4.512 ( 1.048 -0.000 3.923) 4.060 4.962 ( -8.258 0.000 -8.260) 11.680 5.574 ( -21.986 0.000 2.179) 22.094 5.723 ( 7.320 -0.000 -5.641) 9.241 5.906 ( 33.041 -0.000 -11.249) 34.904 6.183 ( 5.902 -0.000 2.104) 6.266 6.328 ( -0.539 0.000 -9.342) 9.357 6.976 ( -17.673 0.000 3.897) 18.098 7.155 ( -10.182 0.000 -1.079) 10.239 7.406 ( -2.674 0.000 -4.127) 4.918 7.799 ( 37.357 -0.000 3.541) 37.525 8.084 ( 2.012 -0.000 13.733) 13.880 9.435 ( 8.534 -0.000 6.996) 11.035 9.849 ( 3.324 -0.000 4.688) 5.747 10.262 ( 4.795 -0.000 -10.779) 11.797 10.580 ( 3.270 -0.000 7.810) 8.467 11.189 ( -3.533 0.000 -18.503) 18.838 11.709 ( -7.671 0.000 1.214) 7.766 12.738 ( -2.532 0.000 -2.152) 3.323 12.940 ( 2.951 -0.000 -3.281) 4.413 12.980 ( -2.662 0.000 3.888) 4.712 13.576 ( -18.131 0.000 -8.391) 19.978 13.680 ( -10.608 0.000 2.956) 11.012 13.999 ( -1.656 0.000 15.946) 16.032 14.344 ( -1.870 0.000 8.233) 8.442 14.772 ( 7.196 -0.000 -10.167) 12.456 15.019 ( 10.561 -0.000 -2.714) 10.904 15.277 ( -6.007 0.000 2.014) 6.336 16.238 ( -14.613 0.000 -11.719) 18.731 16.402 ( -8.832 0.000 9.812) 13.201 16.579 ( -9.324 0.000 12.134) 15.303 16.808 ( 13.703 -0.000 -5.987) 14.954 17.278 ( 3.221 -0.000 -1.211) 3.441 17.972 ( 11.225 -0.000 -27.534) 29.734 18.044 ( -12.272 0.000 13.695) 18.389 19.463 ( 0.259 -0.000 17.627) 17.629 20.405 ( -0.599 0.000 0.353) 0.695 22.061 ( -22.976 0.000 -2.612) 23.124 25.169 ( 0.332 -0.000 -9.988) 9.993 26.278 ( 4.018 -0.000 3.797) 5.528 26.730 ( 4.636 -0.000 6.769) 8.204 27.676 ( 16.506 -0.000 -4.212) 17.035 ======================= Grid point 139 (60/227) ======================= q-point: (-0.60 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( -1.121 16.146 -5.218) 17.005 3.270 ( -3.159 -3.397 -5.613) 7.282 4.398 ( 11.436 -4.975 -0.520) 12.482 4.447 ( -5.703 4.080 3.069) 7.654 4.827 ( -11.902 -6.736 -3.049) 14.012 5.168 ( -11.586 17.103 3.914) 21.026 5.720 ( -10.387 -7.688 -3.175) 13.308 6.031 ( -2.752 13.703 -3.334) 14.369 6.251 ( 9.002 9.197 -3.156) 13.251 6.546 ( -4.793 -18.115 3.825) 19.125 6.868 ( 10.374 -0.562 -0.443) 10.399 6.939 ( -10.675 -5.264 2.674) 12.199 7.579 ( 18.289 0.085 -5.428) 19.078 8.083 ( -0.050 1.837 11.426) 11.573 8.367 ( 25.434 0.810 -3.297) 25.660 9.654 ( 11.834 -5.862 10.711) 17.004 9.936 ( 8.311 3.040 1.029) 8.909 10.327 ( 4.278 2.455 -14.813) 15.613 10.635 ( 2.094 1.127 4.541) 5.126 11.137 ( -0.861 0.318 -18.460) 18.483 11.653 ( 0.316 -1.870 0.463) 1.952 12.554 ( -14.885 1.515 15.261) 21.372 12.973 ( 1.408 4.056 1.642) 4.596 13.051 ( 7.987 0.923 -10.346) 13.102 13.265 ( -8.073 2.715 -6.168) 10.516 13.564 ( -11.571 -10.639 -0.323) 15.722 13.943 ( -5.624 -1.168 11.763) 13.091 14.322 ( -0.911 -0.598 8.464) 8.534 14.930 ( 10.635 0.510 -12.026) 16.061 15.171 ( -6.057 0.060 -1.476) 6.235 15.185 ( 7.259 -1.438 -0.751) 7.438 15.961 ( -14.313 2.522 -9.970) 17.625 16.239 ( -12.026 -6.034 12.875) 18.623 16.480 ( -4.933 -1.411 5.369) 7.426 17.020 ( 12.981 4.107 -3.065) 13.956 17.332 ( 3.667 1.290 -0.845) 3.978 17.813 ( -13.031 0.015 16.283) 20.855 18.170 ( 9.142 -3.557 -27.264) 28.975 19.496 ( 1.754 -2.344 20.302) 20.512 20.383 ( -1.716 0.272 -1.789) 2.494 21.603 ( -29.117 -0.277 -1.203) 29.143 25.143 ( -0.400 4.009 -6.053) 7.271 26.360 ( 2.508 -3.415 3.669) 5.604 26.820 ( 6.187 1.925 4.388) 7.825 27.948 ( 15.328 0.895 -5.338) 16.256 ======================= Grid point 140 (61/227) ======================= q-point: (-0.50 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -3.553 14.932 -6.817) 16.794 3.191 ( -2.166 6.407 -4.733) 8.255 4.243 ( -14.713 2.021 8.757) 17.241 4.487 ( -11.711 -1.005 -2.419) 12.000 4.683 ( -3.215 7.127 -1.298) 7.925 4.929 ( 7.586 15.051 5.988) 17.887 5.504 ( -6.659 12.230 2.213) 14.100 6.043 ( -0.264 -14.870 -2.615) 15.100 6.081 ( -10.236 8.958 3.603) 14.071 6.647 ( -4.189 -18.108 2.921) 18.814 6.882 ( -1.919 -8.385 5.036) 9.968 7.083 ( 10.754 7.607 -3.479) 13.625 7.921 ( 18.733 5.259 -5.642) 20.259 8.067 ( -0.474 -0.719 7.952) 7.999 8.674 ( 20.548 12.558 -3.502) 24.335 9.885 ( 4.605 -3.986 5.711) 8.349 10.018 ( 5.442 9.611 -5.225) 12.218 10.369 ( 5.038 2.377 -12.606) 13.782 10.631 ( -0.252 -1.021 8.411) 8.476 11.202 ( 5.937 -6.692 -14.173) 16.760 11.723 ( 3.167 -2.436 -5.997) 7.206 12.300 ( -12.967 -3.237 13.151) 18.750 12.892 ( -1.455 3.351 6.392) 7.362 13.155 ( 7.874 1.897 -7.082) 10.759 13.351 ( 9.296 -6.425 -7.882) 13.778 13.478 ( -10.999 -10.538 -0.418) 15.238 13.849 ( -7.740 -3.779 6.116) 10.563 14.327 ( -1.270 -3.376 11.253) 11.817 15.047 ( -4.761 2.215 -11.503) 12.645 15.096 ( 6.402 1.600 -3.034) 7.263 15.302 ( 4.405 -2.599 -4.618) 6.891 15.715 ( -11.642 0.125 -8.482) 14.405 16.137 ( -8.525 -8.409 10.366) 15.838 16.419 ( -3.704 -1.379 4.828) 6.239 17.173 ( 11.408 7.293 -1.208) 13.594 17.354 ( 0.408 4.309 -0.133) 4.330 17.633 ( -8.740 -5.357 19.034) 21.619 18.352 ( 7.683 -3.870 -26.238) 27.613 19.576 ( 2.868 -4.140 23.840) 24.366 20.344 ( -1.189 1.968 -2.773) 3.603 21.074 ( -31.896 -1.104 -0.020) 31.915 25.083 ( -0.489 5.554 -3.251) 6.454 26.420 ( 0.398 -2.888 2.879) 4.098 26.893 ( 5.681 4.706 2.461) 7.777 28.189 ( 13.262 0.428 -6.654) 14.844 ======================= Grid point 141 (62/227) ======================= q-point: (-0.40 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.592 ( -3.632 12.644 -7.597) 15.192 3.094 ( 2.829 13.951 1.330) 14.297 3.871 ( -15.445 20.078 6.601) 26.177 4.150 ( -17.727 3.878 7.578) 19.665 4.588 ( 3.770 11.551 1.182) 12.208 5.000 ( 10.221 8.944 6.461) 15.040 5.341 ( -0.484 8.211 0.651) 8.251 5.736 ( -13.399 12.543 4.601) 18.921 6.306 ( 4.254 -23.128 -4.017) 23.857 6.775 ( -2.514 -16.242 5.650) 17.380 6.975 ( -1.918 -13.260 3.713) 13.903 7.112 ( 9.537 17.315 -5.378) 20.487 7.957 ( 0.176 16.153 -0.219) 16.155 8.115 ( 2.020 -3.553 4.291) 5.926 8.934 ( 24.484 13.130 -1.890) 27.846 9.747 ( -13.646 13.734 -5.127) 20.028 9.936 ( -0.699 10.117 -9.048) 13.591 10.437 ( 4.667 2.569 -8.755) 10.248 10.736 ( 5.460 -7.732 15.808) 18.425 11.460 ( 9.358 -15.185 -5.132) 18.560 11.751 ( -2.054 -1.750 -9.306) 9.689 12.251 ( -1.268 -11.179 2.567) 11.539 12.921 ( 2.778 -4.361 4.614) 6.930 13.295 ( 7.441 -0.262 -3.458) 8.209 13.387 ( -7.678 -6.116 -4.686) 10.877 13.602 ( 9.150 -7.653 -1.138) 11.983 13.772 ( -6.912 -7.097 1.619) 10.038 14.355 ( -1.918 -7.772 14.443) 16.513 14.907 ( -6.302 3.017 -10.432) 12.556 15.144 ( -0.163 0.602 2.697) 2.769 15.406 ( 5.714 -0.001 -21.316) 22.069 15.568 ( -5.853 -2.621 -2.830) 7.010 16.100 ( -6.471 -8.172 4.269) 11.264 16.396 ( -0.932 -2.192 7.872) 8.224 17.220 ( -10.475 1.476 9.661) 14.326 17.265 ( 7.903 7.177 -1.539) 10.786 17.676 ( 5.197 -4.218 13.907) 15.434 18.499 ( 5.564 -2.659 -23.976) 24.757 19.679 ( 2.494 -4.951 26.610) 27.182 20.308 ( 0.698 4.218 -1.012) 4.393 20.553 ( -26.555 -0.080 0.172) 26.556 25.018 ( -0.031 5.667 -1.881) 5.971 26.433 ( -1.131 -1.047 1.509) 2.157 26.913 ( 3.421 6.783 1.857) 7.821 28.389 ( 8.932 -0.938 -9.071) 12.765 ======================= Grid point 142 (63/227) ======================= q-point: (-0.30 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( -1.657 13.278 -6.907) 15.059 2.959 ( 1.395 22.524 11.514) 25.335 3.358 ( -7.111 32.454 3.760) 33.436 3.936 ( 1.461 8.747 13.834) 16.432 4.559 ( 4.155 8.046 4.223) 9.991 5.054 ( 2.374 7.707 6.315) 10.243 5.251 ( -2.188 7.835 -2.253) 8.441 5.436 ( -2.005 10.834 1.931) 11.186 6.608 ( 2.461 -16.775 -4.380) 17.512 6.869 ( 0.770 -9.124 3.226) 9.708 6.989 ( 0.633 8.306 -10.240) 13.201 7.166 ( 4.264 -2.086 1.896) 5.112 7.721 ( -7.649 12.552 9.243) 17.364 8.182 ( 0.442 -4.128 2.847) 5.034 9.095 ( -1.965 11.751 1.043) 11.960 9.379 ( 1.539 14.429 -11.229) 18.348 9.795 ( -2.997 9.231 -8.643) 12.996 10.471 ( 3.462 2.619 -5.081) 6.684 10.902 ( 2.911 -7.516 16.184) 18.080 11.733 ( -2.394 -3.981 -10.163) 11.174 11.786 ( 7.494 -17.347 2.213) 19.025 12.397 ( 1.998 -9.737 -3.235) 10.452 13.019 ( 0.594 -5.962 -1.972) 6.308 13.254 ( -8.492 -5.680 -1.226) 10.290 13.468 ( 7.302 1.373 -4.195) 8.532 13.704 ( -5.850 -10.019 1.208) 11.665 13.836 ( 3.751 -4.125 -0.716) 5.621 14.459 ( 0.250 -15.934 16.113) 22.663 14.809 ( -0.486 1.956 -10.648) 10.837 15.105 ( -3.973 -1.355 4.366) 6.057 15.465 ( 0.511 -1.979 -20.409) 20.511 15.582 ( 6.557 1.495 -9.631) 11.747 16.083 ( -4.649 -8.757 1.716) 10.062 16.427 ( 0.050 -3.767 8.723) 9.502 17.017 ( -12.468 -2.265 11.403) 17.047 17.318 ( 5.917 5.403 -0.234) 8.016 17.797 ( 2.204 -1.310 14.564) 14.787 18.584 ( 2.385 -0.937 -21.007) 21.163 19.719 ( -6.568 -4.184 25.886) 27.032 20.241 ( 2.550 1.083 1.761) 3.283 20.336 ( 3.603 6.047 2.422) 7.444 24.967 ( 0.563 5.168 -1.100) 5.313 26.413 ( -1.338 0.321 -1.018) 1.712 26.876 ( 0.790 7.149 3.002) 7.794 28.477 ( -0.812 -0.192 -12.974) 13.001 ======================= Grid point 143 (64/227) ======================= q-point: (-0.20 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -4.823 21.973 -3.569) 22.777 2.653 ( 0.724 31.686 15.967) 35.489 3.191 ( 20.702 22.774 7.383) 31.650 4.014 ( 21.892 17.484 13.464) 31.084 4.552 ( 0.726 3.697 4.388) 5.783 4.811 ( -15.331 8.379 3.151) 17.753 5.171 ( 0.928 8.416 -2.266) 8.765 5.481 ( 13.792 6.920 -0.099) 15.431 6.582 ( -8.571 6.824 -7.428) 13.237 6.844 ( -3.415 17.242 -13.051) 21.892 7.106 ( 6.447 -16.850 0.971) 18.067 7.172 ( -0.823 6.024 2.534) 6.586 7.518 ( -7.171 -1.726 9.104) 11.717 8.205 ( -2.464 -4.672 0.635) 5.320 8.808 ( -11.892 2.323 2.365) 12.345 9.420 ( 8.318 8.690 -11.105) 16.372 9.666 ( -1.262 7.121 -5.655) 9.180 10.523 ( 3.017 0.244 -1.833) 3.539 10.986 ( -1.900 -6.781 16.126) 17.596 11.735 ( -1.484 -2.447 -13.011) 13.322 12.047 ( 0.823 -17.136 3.608) 17.531 12.430 ( -5.662 -2.961 5.243) 8.265 13.007 ( -4.706 -1.333 -5.020) 7.009 13.250 ( -1.104 -7.277 -3.571) 8.181 13.545 ( 1.315 -2.504 -6.836) 7.398 13.723 ( -0.201 -5.618 0.674) 5.662 13.870 ( -1.200 -0.774 2.630) 2.993 14.646 ( -2.876 -18.856 11.972) 22.520 14.838 ( 2.896 -0.653 -8.563) 9.063 15.061 ( -1.863 -0.472 0.597) 2.013 15.453 ( -4.317 -2.374 -5.990) 7.755 15.765 ( 15.878 1.059 -22.013) 27.162 16.166 ( 2.198 -13.104 3.183) 13.663 16.461 ( -1.745 -5.666 8.605) 10.450 16.868 ( -8.549 -4.948 7.770) 12.568 17.359 ( 3.713 3.377 -1.616) 5.273 17.724 ( -8.970 3.375 17.016) 19.529 18.597 ( -0.725 -0.190 -15.953) 15.970 19.610 ( -6.571 -2.031 19.427) 20.609 20.357 ( 5.943 6.852 9.317) 13.003 20.598 ( 32.313 -5.964 2.441) 32.949 24.927 ( 0.709 4.754 -0.280) 4.814 26.394 ( -0.093 0.278 -4.868) 4.877 26.808 ( -0.535 5.695 5.561) 7.978 28.300 ( -15.391 8.716 -16.008) 23.856 ======================= Grid point 144 (65/227) ======================= q-point: (-0.10 0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 6.431 12.847 6.651) 15.831 2.492 ( 18.158 29.803 8.947) 36.027 3.479 ( 32.025 15.974 6.923) 36.451 4.310 ( 31.062 18.834 10.352) 37.773 4.459 ( -7.745 7.167 11.173) 15.368 4.471 ( -9.151 6.606 -3.790) 11.905 5.119 ( 4.113 8.212 -3.064) 9.682 5.617 ( 5.131 7.239 -1.434) 8.988 6.304 ( -1.206 16.075 -2.444) 16.305 6.580 ( -5.308 13.122 -11.858) 18.466 7.091 ( -1.152 7.240 -6.085) 9.527 7.303 ( -0.896 -6.566 5.125) 8.378 7.511 ( -1.185 -11.254 0.831) 11.347 8.206 ( -3.958 -4.767 -2.297) 6.609 8.647 ( -8.125 -0.831 3.313) 8.813 9.458 ( 1.958 -0.595 -14.640) 14.782 9.611 ( 1.471 3.487 1.572) 4.098 10.468 ( -9.796 2.831 1.415) 10.294 10.996 ( -4.447 -5.251 15.807) 17.240 11.692 ( -4.421 2.137 -12.645) 13.565 12.143 ( -8.021 -14.877 0.826) 16.922 12.391 ( 0.175 -4.281 12.729) 13.431 12.944 ( -3.996 -1.442 -6.723) 7.953 13.309 ( -0.848 -7.478 0.860) 7.575 13.526 ( -2.864 1.900 -11.846) 12.335 13.821 ( -1.813 -8.241 1.008) 8.498 13.910 ( 10.825 0.827 5.056) 11.976 14.670 ( -11.122 -8.679 0.772) 14.128 14.892 ( -0.613 -5.547 0.754) 5.631 15.033 ( -1.027 2.612 -3.163) 4.229 15.378 ( -5.841 -2.350 -6.289) 8.899 16.031 ( 14.176 1.796 -17.923) 22.922 16.394 ( 2.807 -14.211 14.264) 20.329 16.547 ( 5.417 -10.791 0.453) 12.083 16.817 ( -5.519 -6.718 1.178) 8.774 17.357 ( -1.601 0.433 -5.143) 5.403 17.525 ( -4.935 7.390 15.575) 17.932 18.566 ( -2.495 0.273 -10.090) 10.398 19.557 ( -2.392 -1.050 16.968) 17.168 20.386 ( 5.486 7.376 11.194) 14.484 21.372 ( 36.504 -20.138 -0.247) 41.691 24.893 ( 0.847 3.907 -0.361) 4.014 26.403 ( 0.774 -0.436 -8.346) 8.393 26.767 ( 1.697 2.923 7.415) 8.149 27.775 ( -22.033 24.703 -13.059) 35.584 ======================= Grid point 149 (66/227) ======================= q-point: ( 0.40 -0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( -8.913 0.000 -8.616) 12.396 3.251 ( 1.550 -0.000 -7.140) 7.306 4.263 ( -14.515 0.000 10.985) 18.204 4.403 ( -10.210 0.000 1.854) 10.377 4.763 ( 8.769 -0.000 -7.645) 11.634 5.235 ( 4.046 -0.000 0.183) 4.050 5.535 ( -3.321 0.000 3.321) 4.697 5.960 ( -11.514 0.000 0.371) 11.520 6.207 ( -11.372 0.000 4.627) 12.277 6.337 ( -7.251 0.000 4.467) 8.516 6.778 ( -4.542 0.000 6.782) 8.163 7.198 ( 18.887 -0.000 -3.943) 19.294 7.954 ( 19.838 -0.000 -4.480) 20.338 8.078 ( 2.662 -0.000 3.828) 4.662 8.829 ( 24.719 -0.000 -4.534) 25.132 9.821 ( 9.014 -0.000 9.608) 13.174 10.105 ( 8.554 -0.000 0.162) 8.556 10.387 ( 1.903 -0.000 -13.921) 14.050 10.642 ( -2.117 0.000 2.607) 3.359 11.142 ( 2.519 -0.000 -18.581) 18.751 11.700 ( 5.291 -0.000 -4.522) 6.960 12.262 ( -18.321 0.000 15.807) 24.197 12.973 ( -4.988 0.000 7.124) 8.697 13.212 ( 3.163 -0.000 -7.518) 8.156 13.237 ( 7.732 -0.000 -0.125) 7.733 13.319 ( -5.700 0.000 -3.810) 6.856 13.805 ( -8.938 0.000 7.351) 11.572 14.296 ( -1.924 0.000 8.536) 8.750 15.066 ( -5.990 0.000 -4.444) 7.458 15.142 ( 12.805 -0.000 -17.233) 21.470 15.248 ( 0.465 -0.000 3.548) 3.578 15.721 ( -13.693 0.000 -12.682) 18.664 16.040 ( -6.720 0.000 14.568) 16.043 16.410 ( -2.975 0.000 3.046) 4.258 17.261 ( 11.831 -0.000 -0.903) 11.865 17.422 ( 5.483 -0.000 -1.249) 5.623 17.552 ( -15.717 0.000 20.524) 25.851 18.306 ( 8.649 -0.000 -27.387) 28.720 19.529 ( 2.955 -0.000 22.482) 22.676 20.365 ( -0.391 0.000 -3.415) 3.438 21.065 ( -31.486 0.000 0.164) 31.486 25.147 ( -1.154 0.000 -3.749) 3.922 26.385 ( 1.849 -0.000 4.890) 5.228 26.945 ( 6.253 -0.000 1.905) 6.537 28.190 ( 12.018 -0.000 -6.449) 13.639 ======================= Grid point 151 (67/227) ======================= q-point: (-0.50 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.803 ( -6.268 6.294 -8.265) 12.133 3.272 ( 3.588 3.835 -6.922) 8.689 4.026 ( -11.259 1.150 13.646) 17.729 4.177 ( -15.435 -1.074 1.509) 15.546 4.880 ( 6.804 9.314 -9.344) 14.844 5.242 ( 8.967 15.498 5.034) 18.599 5.548 ( 0.894 6.655 6.703) 9.488 5.846 ( -3.295 -12.119 0.904) 12.592 5.975 ( -9.597 5.760 4.167) 11.943 6.337 ( -4.909 -19.761 8.421) 22.034 6.740 ( -4.731 -7.966 7.020) 11.624 7.407 ( 10.468 8.369 -3.292) 13.801 8.030 ( -0.724 -3.045 7.779) 8.385 8.322 ( 16.278 12.512 -12.492) 24.033 9.186 ( 21.988 8.301 -4.374) 23.906 9.858 ( -7.837 0.514 1.540) 8.004 10.174 ( 1.833 8.235 -3.197) 9.022 10.427 ( 2.489 -2.542 -8.685) 9.385 10.643 ( 4.896 -1.429 9.601) 10.871 11.253 ( 7.887 -4.718 -12.699) 15.675 11.766 ( 0.910 2.446 -9.897) 10.236 12.011 ( -11.583 -8.893 8.388) 16.841 12.886 ( -2.033 0.963 9.868) 10.122 13.167 ( -10.437 -9.066 3.238) 14.199 13.326 ( 9.011 0.018 -7.136) 11.495 13.493 ( 10.212 -2.825 0.417) 10.603 13.664 ( -7.156 -2.451 0.027) 7.564 14.253 ( -4.697 -2.362 11.434) 12.585 14.958 ( -5.232 1.519 -7.217) 9.042 15.190 ( -2.565 2.818 4.828) 6.151 15.374 ( 9.884 -2.426 -24.448) 26.481 15.521 ( -8.426 -1.421 -7.057) 11.082 15.974 ( -4.647 -3.244 7.005) 9.010 16.382 ( -0.086 -0.013 4.644) 4.644 17.248 ( -15.352 0.892 10.819) 18.802 17.421 ( 8.358 7.282 5.764) 12.494 17.570 ( 6.841 -5.853 6.993) 11.400 18.453 ( 7.515 -1.376 -26.400) 27.483 19.601 ( 3.111 -2.135 24.301) 24.592 20.368 ( 0.981 1.501 -1.913) 2.622 20.557 ( -24.222 0.207 0.131) 24.224 25.113 ( -0.739 2.744 -2.116) 3.543 26.411 ( 0.276 -0.780 4.499) 4.574 27.019 ( 3.649 2.903 0.467) 4.686 28.363 ( 7.290 -0.973 -7.199) 10.292 ======================= Grid point 152 (68/227) ======================= q-point: (-0.40 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 0.001 9.742 -7.704) 12.420 3.289 ( 5.390 9.577 -0.652) 11.009 3.826 ( -8.879 10.859 2.899) 14.323 3.961 ( -4.582 -1.824 6.804) 8.403 4.829 ( 4.553 15.468 -2.361) 16.296 5.249 ( 6.214 11.741 9.841) 16.532 5.444 ( -2.067 11.527 3.505) 12.224 5.680 ( -3.879 11.339 3.088) 12.376 6.138 ( 5.597 -22.461 -3.912) 23.476 6.526 ( -0.328 -21.999 13.906) 26.028 6.786 ( -3.234 -13.650 2.640) 14.274 7.426 ( 4.584 11.317 -2.537) 12.471 8.077 ( 0.811 -4.663 5.185) 7.020 8.232 ( 0.997 29.337 -4.369) 29.677 9.356 ( -4.087 10.298 -6.273) 12.732 9.603 ( -4.286 6.057 -5.000) 8.947 10.036 ( -1.216 13.393 -6.321) 14.860 10.499 ( 2.259 -1.202 -3.452) 4.297 10.814 ( 9.305 -1.247 13.569) 16.500 11.470 ( 6.897 -10.124 -1.191) 12.308 11.698 ( -2.271 0.158 -6.910) 7.275 12.096 ( 1.344 -17.624 -5.914) 18.638 12.895 ( -0.263 -4.954 4.336) 6.589 13.084 ( -10.825 -10.139 2.025) 14.969 13.473 ( 0.833 -0.785 -4.597) 4.737 13.537 ( 1.102 -4.726 0.697) 4.903 13.753 ( 7.789 -3.072 0.424) 8.383 14.203 ( -6.105 -8.404 13.596) 17.110 14.868 ( -1.466 3.007 -7.894) 8.573 15.118 ( -2.317 1.953 4.607) 5.514 15.418 ( -1.776 -2.242 -19.075) 19.288 15.587 ( 9.311 -0.888 -15.440) 18.052 15.922 ( -6.281 -5.770 1.904) 8.739 16.402 ( 1.727 0.155 5.564) 5.828 16.979 ( -15.329 -1.357 13.817) 20.682 17.455 ( 4.847 7.426 1.693) 9.028 17.744 ( 5.151 -3.996 11.889) 13.559 18.562 ( 3.570 -0.932 -24.003) 24.285 19.645 ( -3.666 -2.755 23.961) 24.396 20.254 ( -1.208 0.378 1.656) 2.084 20.438 ( 5.386 3.518 0.078) 6.433 25.072 ( 0.356 4.308 -1.510) 4.579 26.411 ( -0.980 -0.399 2.907) 3.093 27.008 ( -0.115 5.068 0.611) 5.106 28.448 ( 0.408 -1.822 -8.220) 8.429 ======================= Grid point 153 (69/227) ======================= q-point: (-0.30 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 0.415 15.082 -7.625) 16.905 3.201 ( 1.458 20.376 8.149) 21.993 3.634 ( 9.223 15.810 0.334) 18.306 4.068 ( 9.812 -5.909 0.228) 11.456 4.755 ( 3.414 12.400 2.325) 13.070 5.050 ( -12.020 16.460 11.919) 23.611 5.339 ( 4.330 7.662 -2.061) 9.039 5.667 ( 11.613 9.816 1.706) 15.301 6.418 ( -0.241 -16.857 1.190) 16.901 6.769 ( 5.434 -17.515 7.621) 19.859 6.873 ( -2.963 -11.275 -1.421) 11.744 7.355 ( -0.603 8.515 -1.079) 8.605 7.857 ( -4.900 31.361 1.699) 31.787 8.136 ( -0.863 -4.186 3.994) 5.849 8.897 ( -23.397 7.510 -1.593) 24.624 9.564 ( -3.037 4.668 -12.929) 14.077 9.925 ( 4.726 14.864 -3.869) 16.070 10.536 ( 2.297 0.664 -1.058) 2.615 10.935 ( 4.769 2.160 14.080) 15.022 11.641 ( 0.749 -8.148 -5.024) 9.602 11.743 ( 1.481 -8.757 -2.569) 9.245 12.276 ( -1.672 -12.398 2.903) 12.842 12.930 ( -5.550 -5.867 0.782) 8.114 13.048 ( -2.397 -11.345 -8.193) 14.198 13.432 ( -4.524 -5.856 -5.422) 9.174 13.642 ( 2.106 -2.315 2.555) 4.040 13.852 ( 2.261 -0.645 3.269) 4.027 14.278 ( -0.556 -15.618 10.860) 19.031 14.853 ( 2.200 1.777 -5.687) 6.351 15.088 ( 1.900 2.602 -0.127) 3.225 15.413 ( -2.830 -1.407 -8.027) 8.627 15.770 ( 12.288 -0.430 -23.135) 26.199 15.917 ( -2.200 -10.589 0.204) 10.817 16.418 ( -0.136 0.439 5.890) 5.908 16.773 ( -11.132 -4.092 9.739) 15.346 17.445 ( 0.903 4.549 -0.345) 4.651 17.790 ( -1.067 2.629 16.372) 16.616 18.584 ( -1.058 -0.976 -19.927) 19.979 19.564 ( -6.184 -2.280 19.854) 20.919 20.441 ( 11.935 0.825 6.920) 13.821 20.564 ( 20.147 1.972 0.582) 20.252 25.037 ( 1.314 5.347 -1.150) 5.625 26.395 ( -1.019 -0.342 -0.396) 1.145 26.923 ( -3.047 5.179 2.663) 6.572 28.384 ( -8.914 0.963 -9.287) 12.909 ======================= Grid point 154 (70/227) ======================= q-point: (-0.20 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -2.782 20.307 -3.387) 20.775 3.046 ( 9.257 22.796 7.622) 25.757 3.827 ( 27.993 14.314 0.207) 31.441 4.348 ( 10.823 -7.431 -5.466) 14.221 4.633 ( -12.379 8.507 -1.340) 15.080 4.724 ( 4.673 15.800 11.982) 20.372 5.343 ( 6.696 11.719 0.802) 13.521 5.788 ( 11.040 9.237 -0.537) 14.404 6.440 ( -5.892 -1.613 5.571) 8.268 6.823 ( -8.069 1.895 -4.030) 9.217 7.086 ( 7.067 -12.200 2.263) 14.279 7.261 ( -0.155 1.887 -0.037) 1.893 7.478 ( -7.120 17.284 -0.966) 18.718 8.134 ( -2.454 -1.875 1.994) 3.676 8.568 ( -12.935 -4.403 4.169) 14.286 9.436 ( -6.896 -1.024 -13.735) 15.403 9.838 ( 2.639 14.526 -1.944) 14.892 10.517 ( -5.064 2.545 -1.063) 5.766 10.962 ( 1.761 2.849 15.468) 15.826 11.695 ( -1.380 -1.668 -12.804) 12.986 11.824 ( -6.304 -14.584 4.158) 16.423 12.301 ( -3.030 -5.317 13.411) 14.742 12.867 ( -6.814 -5.851 -0.072) 8.982 13.147 ( -0.961 -8.288 -15.392) 17.508 13.465 ( 0.595 -6.475 -9.748) 11.717 13.672 ( -2.618 -5.585 4.036) 7.371 13.923 ( 7.307 0.327 5.616) 9.222 14.417 ( -2.782 -13.106 6.725) 14.991 14.865 ( -0.344 0.688 -1.505) 1.690 15.116 ( 3.841 4.801 -4.444) 7.587 15.333 ( -6.349 -1.570 -5.180) 8.343 15.972 ( 7.167 -7.983 -4.852) 11.775 16.139 ( 13.177 -9.274 -15.188) 22.143 16.410 ( 0.097 -2.222 7.956) 8.261 16.682 ( -6.242 -5.965 1.769) 8.813 17.381 ( -4.447 1.635 -1.710) 5.037 17.704 ( -0.220 9.444 16.455) 18.974 18.561 ( -2.222 -0.923 -15.193) 15.383 19.521 ( -2.184 -2.352 17.722) 18.010 20.524 ( 5.185 5.536 10.674) 13.095 21.114 ( 33.226 -6.956 -1.026) 33.962 25.001 ( 1.237 6.175 -0.427) 6.312 26.392 ( 0.105 -0.911 -5.763) 5.836 26.822 ( -3.012 2.630 6.430) 7.572 28.103 ( -16.891 8.972 -8.942) 21.114 ======================= Grid point 155 (71/227) ======================= q-point: (-0.10 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 3.020 9.466 3.750) 10.620 3.067 ( 16.465 17.706 2.800) 24.340 4.192 ( 21.857 17.367 -3.447) 28.129 4.352 ( 1.352 4.926 5.052) 7.184 4.428 ( -3.027 2.444 -4.391) 5.867 4.907 ( 21.032 0.511 0.371) 21.042 5.308 ( 3.589 13.457 2.261) 14.110 5.784 ( 4.316 14.021 0.481) 14.679 6.374 ( -3.852 1.261 -0.628) 4.101 6.631 ( -0.464 7.883 -3.769) 8.750 7.071 ( -7.236 3.597 -4.867) 9.433 7.291 ( -2.294 4.150 1.074) 4.862 7.465 ( 10.303 -8.307 3.223) 13.622 8.094 ( -5.745 -2.956 1.340) 6.599 8.447 ( -9.412 -5.083 4.844) 11.743 9.382 ( -3.645 -7.491 -15.292) 17.414 9.725 ( -1.008 9.579 1.550) 9.756 10.287 ( -13.600 6.996 1.018) 15.328 10.940 ( -1.457 3.332 16.524) 16.920 11.576 ( -12.578 -2.508 -3.701) 13.349 11.876 ( -2.342 -8.800 -3.231) 9.663 12.359 ( 1.758 -7.356 13.554) 15.522 12.837 ( -2.794 -5.267 -3.330) 6.829 13.161 ( -5.327 -5.964 -17.193) 18.962 13.567 ( 5.056 -4.264 -4.138) 7.802 13.666 ( -4.171 -4.601 2.067) 6.545 14.107 ( 11.399 -1.919 6.334) 13.181 14.432 ( -6.773 -6.346 3.254) 9.835 14.808 ( -6.068 0.684 3.034) 6.819 15.070 ( -1.887 4.399 -5.308) 7.148 15.286 ( -0.598 -1.407 -7.168) 7.329 16.202 ( 7.900 -7.518 -4.063) 11.638 16.336 ( 1.860 -3.848 0.470) 4.300 16.585 ( 5.925 -7.930 -1.526) 10.016 16.667 ( 1.597 -8.203 -3.666) 9.126 17.307 ( -1.396 -1.028 -2.473) 3.020 17.607 ( 0.135 11.221 11.466) 16.044 18.516 ( -3.089 0.368 -11.459) 11.874 19.526 ( -0.253 -1.487 17.490) 17.555 20.535 ( 2.958 6.176 10.951) 12.916 21.745 ( 25.632 -11.783 -2.738) 28.343 24.954 ( 0.591 5.376 -0.259) 5.414 26.403 ( -0.148 -0.587 -9.204) 9.224 26.809 ( 2.572 -2.331 7.878) 8.609 27.648 ( -17.672 17.491 -5.769) 25.525 ======================= Grid point 161 (72/227) ======================= q-point: (-0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 0.229 -0.000 -7.528) 7.531 3.381 ( 7.008 0.000 -7.325) 10.137 3.899 ( -3.692 -0.000 14.291) 14.760 3.947 ( -10.951 -0.000 -0.850) 10.984 4.997 ( 0.336 -0.000 -7.406) 7.414 5.518 ( 6.747 0.000 -2.050) 7.051 5.629 ( 6.109 -0.000 2.175) 6.485 5.769 ( 2.153 -0.000 9.686) 9.922 5.869 ( -4.418 0.000 2.765) 5.212 6.181 ( 0.613 -0.000 20.109) 20.118 6.610 ( -3.557 -0.000 3.550) 5.025 7.557 ( 2.313 -0.000 -0.503) 2.367 7.999 ( -0.403 -0.000 6.578) 6.591 8.619 ( 5.448 0.000 -15.128) 16.079 9.459 ( -4.249 -0.000 -10.399) 11.233 9.645 ( -7.724 -0.000 2.469) 8.108 10.240 ( -1.274 -0.000 1.347) 1.854 10.433 ( 3.052 0.000 -5.509) 6.298 10.812 ( 13.719 -0.000 12.746) 18.726 11.381 ( 8.607 -0.000 -6.745) 10.935 11.765 ( -5.678 0.000 5.953) 8.227 11.811 ( 0.008 -0.000 -17.918) 17.918 12.842 ( -3.410 -0.000 11.852) 12.332 12.948 ( -8.304 0.000 0.383) 8.313 13.458 ( -7.348 0.000 1.100) 7.430 13.497 ( 9.770 -0.000 -6.091) 11.513 13.721 ( 9.272 -0.000 0.722) 9.300 14.117 ( -8.796 -0.000 12.389) 15.194 14.905 ( -1.678 0.000 -6.289) 6.509 15.147 ( -2.147 0.000 4.975) 5.419 15.390 ( -2.370 -0.000 -18.014) 18.169 15.570 ( 10.766 -0.000 -18.966) 21.809 15.862 ( -6.778 -0.000 2.067) 7.087 16.406 ( 2.196 -0.000 4.427) 4.942 16.965 ( -16.555 -0.000 14.806) 22.210 17.577 ( 0.613 0.000 -0.689) 0.922 17.660 ( 10.021 -0.000 13.984) 17.203 18.552 ( 4.083 -0.000 -24.822) 25.156 19.615 ( -2.638 -0.000 23.179) 23.328 20.258 ( -2.186 -0.000 1.545) 2.677 20.475 ( 5.705 -0.000 -0.568) 5.733 25.120 ( 0.168 -0.000 -1.649) 1.657 26.405 ( -0.817 -0.000 4.566) 4.639 27.064 ( -0.462 -0.000 -0.449) 0.644 28.426 ( 0.775 -0.000 -6.838) 6.882 ======================= Grid point 163 (73/227) ======================= q-point: (-0.40 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 4.946 6.909 -8.268) 11.855 3.479 ( 5.401 6.541 0.515) 8.498 3.804 ( -0.492 2.375 -5.416) 5.935 3.943 ( 6.301 -3.963 7.810) 10.789 4.919 ( -5.617 3.054 -5.067) 8.158 5.443 ( -9.827 10.778 2.348) 14.773 5.587 ( 12.796 22.735 4.843) 26.534 5.842 ( 8.304 5.834 3.047) 10.597 6.069 ( 9.311 -14.997 -0.024) 17.652 6.336 ( 3.486 -21.269 22.360) 31.056 6.644 ( 1.537 -7.654 0.510) 7.823 7.506 ( -4.432 5.367 2.014) 7.246 8.022 ( -0.648 -4.891 5.649) 7.500 8.451 ( -10.465 19.069 -7.545) 23.023 9.045 ( -28.546 4.216 -9.274) 30.309 9.633 ( -3.320 2.058 -3.738) 5.407 10.151 ( -2.364 5.719 -0.683) 6.226 10.529 ( 4.287 -1.240 0.154) 4.465 11.039 ( 12.923 5.039 13.942) 19.666 11.498 ( 4.346 -2.402 -3.612) 6.140 11.698 ( -0.351 3.801 -8.240) 9.081 11.942 ( 2.672 -17.515 -2.327) 17.870 12.807 ( -4.300 -4.167 6.980) 9.197 12.863 ( -3.390 -5.168 -6.591) 9.036 13.356 ( -4.699 -1.622 -2.122) 5.405 13.611 ( 1.068 -0.773 0.042) 1.319 13.849 ( 4.919 0.245 4.704) 6.811 14.040 ( -1.081 -6.532 7.299) 9.855 14.891 ( 0.748 1.310 -4.587) 4.829 15.140 ( 2.754 1.785 0.415) 3.308 15.394 ( 0.653 -0.488 -8.402) 8.441 15.754 ( 0.491 -2.438 -9.732) 10.045 15.758 ( 4.017 -2.534 -15.445) 16.159 16.439 ( 1.436 0.949 2.828) 3.310 16.709 ( -13.339 -1.825 11.966) 18.012 17.523 ( -3.934 2.358 0.137) 4.588 17.825 ( 7.405 0.747 16.447) 18.052 18.565 ( -1.878 -0.596 -21.458) 21.548 19.526 ( -6.205 -1.055 19.947) 20.917 20.438 ( 16.890 -0.295 3.155) 17.185 20.610 ( 12.965 1.444 2.016) 13.200 25.124 ( 1.775 2.452 -1.837) 3.541 26.383 ( -1.854 -0.469 3.348) 3.855 27.005 ( -4.608 2.290 0.085) 5.147 28.383 ( -6.116 -0.382 -6.407) 8.866 ======================= Grid point 164 (74/227) ======================= q-point: (-0.30 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 0.597 16.735 -7.967) 18.545 3.407 ( 1.189 11.653 6.202) 13.254 3.966 ( 17.809 -1.230 -9.034) 20.007 4.174 ( 12.068 -5.967 0.744) 13.483 4.771 ( -7.429 3.841 -3.455) 9.049 5.109 ( -6.636 18.383 5.342) 20.261 5.633 ( 14.431 18.506 2.305) 23.580 5.958 ( 11.607 6.493 -0.143) 13.300 6.298 ( 2.658 -10.000 9.476) 14.031 6.665 ( 2.305 -16.042 2.240) 16.361 6.801 ( 9.540 -11.457 4.997) 15.724 7.319 ( -10.091 3.833 5.694) 12.204 7.954 ( -19.047 22.302 -3.317) 29.516 8.052 ( -4.146 -6.226 6.011) 9.597 8.560 ( -20.194 1.387 -8.726) 22.043 9.461 ( -9.774 4.482 -4.645) 11.713 10.041 ( -5.985 3.277 -0.700) 6.859 10.567 ( -0.485 1.561 -0.913) 1.873 11.135 ( 8.751 12.530 15.266) 21.601 11.597 ( -3.265 -5.711 -0.999) 6.653 11.648 ( 0.365 -2.100 -12.329) 12.512 12.138 ( 0.734 -11.088 12.740) 16.905 12.752 ( -4.995 -3.408 -0.233) 6.052 12.955 ( 2.125 -9.951 -17.953) 20.636 13.344 ( 0.159 -4.061 -3.114) 5.120 13.586 ( -2.908 -2.727 4.658) 6.131 13.927 ( 5.435 0.201 6.177) 8.230 14.174 ( 3.376 -9.607 3.011) 10.618 14.889 ( 0.069 1.232 -2.023) 2.370 15.205 ( 6.565 3.317 -3.983) 8.365 15.335 ( -6.378 1.962 -2.562) 7.148 15.756 ( -1.543 -10.634 1.720) 10.882 16.013 ( 16.692 -3.646 -25.339) 30.562 16.419 ( -1.609 2.099 3.861) 4.679 16.573 ( -6.354 -4.575 3.215) 8.464 17.414 ( -5.986 1.312 0.009) 6.128 17.890 ( 4.689 7.632 17.041) 19.251 18.528 ( -2.860 -2.047 -17.108) 17.466 19.470 ( -2.538 -2.175 18.155) 18.460 20.608 ( 5.649 2.589 9.107) 11.025 21.030 ( 30.587 -2.006 -1.508) 30.689 25.127 ( 2.896 5.254 -1.729) 6.244 26.361 ( -1.714 -1.805 0.040) 2.490 26.876 ( -6.743 2.324 2.507) 7.560 28.209 ( -12.720 2.327 -5.925) 14.224 ======================= Grid point 165 (75/227) ======================= q-point: (-0.20 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -2.996 20.552 -3.240) 21.020 3.358 ( 5.460 9.712 3.834) 11.783 4.307 ( 4.349 -11.328 -12.625) 17.510 4.409 ( 12.006 1.568 3.311) 12.552 4.574 ( 1.982 15.220 -5.431) 16.281 4.990 ( 10.911 7.947 3.358) 13.910 5.642 ( 7.235 19.191 3.279) 20.770 6.057 ( 8.529 10.980 -2.132) 14.066 6.379 ( -0.707 -1.197 9.131) 9.237 6.690 ( -5.935 -1.529 -3.698) 7.158 7.038 ( -3.341 -6.024 0.916) 6.949 7.271 ( 7.977 -7.671 7.684) 13.472 7.466 ( -10.866 9.187 -0.157) 14.230 8.010 ( -7.807 -5.330 5.359) 10.866 8.327 ( -10.932 -6.285 -5.809) 13.883 9.270 ( -9.001 -1.249 -7.262) 11.633 9.863 ( -11.487 1.861 1.527) 11.737 10.461 ( -5.744 7.002 -2.912) 9.513 11.112 ( 4.212 14.054 18.667) 23.743 11.458 ( -14.071 -5.574 3.896) 15.629 11.776 ( 6.665 -2.835 -15.129) 16.773 12.219 ( -0.612 -6.261 17.009) 18.135 12.732 ( -0.902 -3.498 -4.276) 5.597 13.043 ( -2.079 -6.341 -22.479) 23.448 13.416 ( 0.917 -6.131 -1.044) 6.287 13.625 ( 3.839 -2.531 -0.244) 4.605 14.067 ( 9.700 -2.030 8.783) 13.242 14.286 ( -1.250 -6.979 2.757) 7.607 14.849 ( -3.106 2.631 0.563) 4.109 15.139 ( -8.211 2.668 -1.947) 8.850 15.295 ( 3.231 1.867 -5.544) 6.683 15.934 ( 6.522 -14.450 2.212) 16.007 16.324 ( 7.003 -0.497 -20.192) 21.378 16.436 ( 10.145 -5.433 3.306) 11.974 16.536 ( -3.966 -4.657 -2.955) 6.794 17.310 ( -3.715 0.849 -0.077) 3.811 17.850 ( 2.294 11.865 13.965) 18.468 18.503 ( -2.294 -1.843 -13.054) 13.381 19.479 ( -0.117 -2.763 17.901) 18.113 20.640 ( 1.992 3.848 11.066) 11.884 21.588 ( 27.758 -4.374 -3.029) 28.263 25.102 ( 2.042 8.262 -0.638) 8.535 26.369 ( -0.425 -3.002 -6.343) 7.031 26.762 ( -4.489 -1.602 7.082) 8.536 27.897 ( -16.536 7.455 -4.723) 18.743 ======================= Grid point 166 (76/227) ======================= q-point: (-0.10 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.281 ( -1.410 11.396 2.010) 11.657 3.370 ( 4.362 5.976 0.667) 7.429 4.300 ( -3.446 5.260 -1.596) 6.487 4.310 ( -7.774 -3.080 -2.167) 8.638 4.848 ( 23.627 8.350 -11.122) 27.416 5.177 ( 7.556 2.652 2.171) 8.296 5.555 ( 11.926 13.643 6.398) 19.217 6.059 ( 4.497 12.898 2.908) 13.966 6.165 ( -17.822 2.503 -11.622) 21.423 6.710 ( 5.865 -2.954 5.004) 8.256 6.986 ( -4.154 3.394 -2.359) 5.860 7.279 ( -0.859 -0.461 -0.599) 1.144 7.632 ( 14.316 -5.516 6.931) 16.835 7.908 ( -9.574 -4.710 3.996) 11.394 8.242 ( -9.424 -8.370 0.879) 12.635 9.200 ( -5.182 -10.871 -14.423) 18.789 9.629 ( -12.591 -0.688 3.773) 13.162 10.275 ( -2.421 13.245 -1.874) 13.594 10.991 ( -4.251 9.769 25.064) 27.234 11.289 ( -8.582 -1.592 -0.720) 8.758 11.885 ( 4.323 1.078 -13.290) 14.017 12.288 ( -0.124 -9.034 12.823) 15.687 12.786 ( 2.277 -3.188 -2.373) 4.580 13.025 ( -4.321 -3.258 -22.342) 22.988 13.483 ( -0.968 -6.783 -2.516) 7.299 13.731 ( 6.929 2.170 0.230) 7.265 14.266 ( 5.258 -1.842 8.832) 10.442 14.295 ( 0.439 -3.908 3.976) 5.592 14.710 ( -7.557 3.704 3.881) 9.267 15.026 ( -3.317 -1.140 -7.443) 8.228 15.315 ( 1.409 1.652 -3.775) 4.355 16.203 ( 5.943 -11.229 4.207) 13.383 16.343 ( 0.121 -0.600 -12.518) 12.533 16.484 ( -4.483 -3.298 -1.088) 5.671 16.789 ( 14.559 -7.075 -4.936) 16.923 17.307 ( 3.579 -2.675 -1.645) 4.761 17.728 ( -1.599 13.737 10.517) 17.374 18.468 ( -2.566 0.384 -11.238) 11.534 19.519 ( 1.103 -2.148 19.094) 19.246 20.609 ( -1.013 3.960 10.152) 10.944 22.025 ( 16.039 -4.146 -4.033) 17.050 25.029 ( 0.070 8.455 0.128) 8.456 26.382 ( -0.792 -1.448 -9.083) 9.232 26.809 ( 3.876 -8.792 7.303) 12.069 27.511 ( -15.331 11.300 -2.013) 19.151 ======================= Grid point 173 (77/227) ======================= q-point: (-0.40 0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 4.947 -0.000 -9.928) 11.092 3.522 ( -4.003 0.000 5.570) 6.859 3.906 ( 10.493 -0.000 -14.496) 17.895 4.130 ( 16.575 -0.000 8.137) 18.465 4.802 ( -6.423 0.000 -5.311) 8.335 5.326 ( -9.988 0.000 -0.767) 10.018 5.984 ( 10.948 -0.000 -7.362) 13.193 6.042 ( 11.057 -0.000 0.272) 11.061 6.232 ( 18.210 -0.000 6.846) 19.454 6.248 ( 4.749 -0.000 25.285) 25.728 6.688 ( 7.246 -0.000 3.641) 8.110 7.376 ( -14.378 0.000 5.932) 15.554 7.966 ( -3.531 0.000 5.337) 6.399 8.240 ( -21.568 0.000 -2.698) 21.736 8.538 ( -29.889 0.000 -14.672) 33.296 9.552 ( -8.668 0.000 1.463) 8.790 10.039 ( -10.302 0.000 -1.359) 10.392 10.579 ( -0.212 0.000 0.973) 0.996 11.291 ( 9.545 -0.000 17.980) 20.356 11.585 ( 7.018 -0.000 -12.024) 13.922 11.658 ( -6.977 0.000 -7.953) 10.579 11.931 ( 7.221 -0.000 11.099) 13.241 12.769 ( 1.414 -0.000 -0.622) 1.545 12.786 ( -1.443 0.000 -15.129) 15.198 13.304 ( -0.109 0.000 -0.827) 0.835 13.559 ( -3.548 0.000 4.925) 6.070 13.932 ( 4.450 -0.000 7.649) 8.849 14.063 ( 5.777 -0.000 -0.911) 5.849 14.903 ( -0.103 0.000 -3.085) 3.087 15.241 ( 6.914 -0.000 -3.232) 7.632 15.378 ( -4.244 0.000 -0.414) 4.264 15.619 ( -4.515 0.000 1.047) 4.635 15.976 ( 15.504 -0.000 -26.935) 31.079 16.464 ( 0.272 -0.000 -0.189) 0.331 16.505 ( -8.488 0.000 6.469) 10.672 17.428 ( -6.598 0.000 0.547) 6.620 17.978 ( 7.696 -0.000 18.081) 19.650 18.500 ( -4.024 0.000 -18.286) 18.724 19.446 ( -2.811 0.000 18.208) 18.424 20.634 ( 6.124 -0.000 8.253) 10.277 21.011 ( 29.482 -0.000 -1.526) 29.521 25.186 ( 3.996 -0.000 -2.622) 4.780 26.338 ( -2.984 0.000 3.015) 4.242 26.903 ( -8.056 0.000 0.582) 8.077 28.229 ( -11.258 0.000 -4.893) 12.276 ======================= Grid point 175 (78/227) ======================= q-point: (-0.30 0.60 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -1.041 14.559 -9.192) 17.249 3.446 ( -3.203 -0.840 4.572) 5.646 4.077 ( 2.366 -7.433 -10.973) 13.463 4.426 ( 13.008 0.306 4.923) 13.911 4.768 ( 5.745 3.702 -7.495) 10.143 5.184 ( 3.813 7.752 -1.412) 8.754 6.035 ( 3.787 13.653 -1.430) 14.241 6.214 ( 11.291 4.771 -3.799) 12.833 6.340 ( 8.676 -0.038 16.385) 18.540 6.601 ( 5.577 -6.856 1.916) 9.043 6.918 ( 9.649 -4.053 4.108) 11.243 7.075 ( -11.182 -7.720 11.685) 17.921 7.704 ( -23.223 10.458 3.068) 25.654 7.938 ( -6.553 0.458 0.484) 6.587 8.133 ( -22.838 -11.672 -12.532) 28.546 9.324 ( -13.403 3.720 0.810) 13.933 9.849 ( -12.635 -1.445 -0.998) 12.756 10.514 ( -6.350 -0.292 -0.778) 6.404 11.285 ( -10.146 -0.437 19.448) 21.940 11.574 ( 7.663 15.122 1.927) 17.062 11.730 ( 8.038 -1.440 -17.318) 19.147 12.073 ( 1.877 -7.798 16.858) 18.669 12.729 ( 0.635 3.271 -15.033) 15.398 12.886 ( 2.165 -7.967 -16.721) 18.648 13.347 ( 3.566 -1.023 2.244) 4.336 13.566 ( 4.077 -2.174 2.942) 5.478 14.034 ( 7.311 -0.900 10.173) 12.560 14.170 ( 3.026 -3.453 -1.730) 4.906 14.890 ( -0.866 0.981 -2.624) 2.932 15.213 ( -10.355 4.267 2.363) 11.446 15.323 ( 1.099 -0.137 -1.382) 1.770 15.684 ( 7.658 -7.874 -2.111) 11.184 16.281 ( 16.865 -2.116 -26.000) 31.063 16.399 ( -1.557 0.519 4.398) 4.694 16.465 ( -2.407 -2.172 -1.991) 3.805 17.326 ( -4.374 0.479 0.396) 4.418 18.061 ( 5.020 7.062 16.753) 18.861 18.445 ( -3.204 -2.950 -13.890) 14.557 19.431 ( -0.363 -1.478 17.597) 17.663 20.693 ( 1.462 1.263 10.780) 10.952 21.536 ( 28.632 -1.054 -3.519) 28.867 25.250 ( 5.516 4.670 -2.681) 7.708 26.295 ( -3.021 -2.877 0.742) 4.237 26.749 ( -8.787 -0.014 2.647) 9.177 27.988 ( -15.125 1.891 -3.779) 15.704 ======================= Grid point 176 (79/227) ======================= q-point: (-0.20 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -5.351 20.406 -4.503) 21.571 3.424 ( -2.329 -1.907 1.290) 3.275 4.115 ( -6.683 -9.857 -6.510) 13.572 4.435 ( -5.790 4.190 3.047) 7.769 4.957 ( 17.823 2.873 -11.525) 21.418 5.366 ( 20.149 12.353 1.057) 23.658 5.843 ( -4.005 12.313 5.644) 14.125 6.206 ( -27.476 4.791 -0.427) 27.893 6.324 ( 7.239 8.785 -6.143) 12.935 6.627 ( 4.987 -5.405 11.636) 13.766 6.992 ( 7.766 -0.523 1.214) 7.878 7.306 ( -6.791 3.500 1.235) 7.739 7.465 ( 17.598 -9.839 8.282) 21.796 7.811 ( -11.714 -8.393 2.309) 14.594 7.924 ( -17.062 -14.619 -5.638) 23.165 9.085 ( -11.330 -1.804 -5.652) 12.789 9.631 ( -11.388 1.383 -0.100) 11.472 10.399 ( -6.837 -0.283 -3.094) 7.510 11.065 ( -14.844 -1.712 23.284) 27.666 11.546 ( 10.475 22.037 3.139) 24.602 11.879 ( 7.245 -1.625 -19.938) 21.276 12.143 ( -1.451 -5.424 17.559) 18.435 12.742 ( 1.803 -1.774 -16.905) 17.093 12.963 ( 1.060 -2.260 -15.496) 15.696 13.415 ( 3.229 0.096 2.020) 3.810 13.730 ( 10.200 -2.370 -0.530) 10.485 14.191 ( 0.446 -2.962 6.763) 7.396 14.238 ( 8.222 -3.103 4.734) 9.982 14.817 ( -5.462 5.863 1.169) 8.098 15.011 ( -6.913 0.525 -2.994) 7.552 15.320 ( -1.683 -2.033 0.871) 2.780 15.974 ( 12.814 -9.319 -3.474) 16.221 16.330 ( -2.214 -0.517 -11.714) 11.932 16.431 ( -3.345 -1.711 -2.445) 4.483 16.660 ( 17.522 -4.906 -7.767) 19.784 17.281 ( -0.072 -0.301 -0.022) 0.310 18.008 ( 0.652 12.769 12.116) 17.614 18.437 ( -1.989 -3.591 -8.965) 9.860 19.464 ( 1.153 -2.670 18.450) 18.678 20.668 ( -2.467 1.850 11.056) 11.478 21.980 ( 20.186 -0.760 -5.016) 20.814 25.251 ( 3.550 11.576 -0.862) 12.139 26.310 ( -0.894 -6.078 -6.090) 8.650 26.644 ( -4.676 -5.486 7.497) 10.401 27.673 ( -16.565 4.710 -2.477) 17.399 ======================= Grid point 177 (80/227) ======================= q-point: (-0.10 -0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -6.112 14.148 -0.147) 15.412 3.371 ( -6.387 -1.797 -0.979) 6.706 4.082 ( -7.275 -7.861 -3.930) 11.409 4.318 ( -1.229 2.307 0.560) 2.673 5.183 ( -5.632 1.774 2.365) 6.360 5.237 ( 4.641 12.927 -0.848) 13.761 5.577 ( -36.635 -4.004 -4.664) 37.148 6.007 ( 18.878 9.173 3.150) 21.223 6.355 ( 9.721 6.660 -1.880) 11.933 6.759 ( 3.141 -3.072 4.663) 6.407 7.013 ( -4.425 8.321 0.671) 9.448 7.182 ( -8.071 -8.702 0.582) 11.883 7.720 ( -5.164 -0.613 -2.244) 5.664 7.876 ( 15.340 -4.400 7.104) 17.469 7.929 ( 0.362 -18.888 4.202) 19.353 9.000 ( -4.170 -9.504 -14.457) 17.796 9.490 ( -1.436 0.949 -0.249) 1.739 10.271 ( -8.224 -0.094 -4.328) 9.294 10.862 ( -9.369 -0.446 25.393) 27.070 11.492 ( 11.008 23.685 -0.438) 26.122 11.975 ( 3.344 2.150 -16.324) 16.801 12.184 ( -1.314 -8.746 11.490) 14.500 12.793 ( 0.073 -4.250 -15.227) 15.809 12.987 ( 3.057 3.482 -6.986) 8.383 13.463 ( 2.555 -0.290 -5.066) 5.682 13.893 ( 7.091 5.190 0.035) 8.787 14.173 ( -2.261 -6.264 4.970) 8.309 14.445 ( 7.388 4.143 7.812) 11.523 14.632 ( -4.025 1.383 4.439) 6.149 14.964 ( -1.221 -2.311 -9.249) 9.611 15.314 ( -1.680 -2.089 1.312) 2.985 16.189 ( -0.675 -2.667 -2.239) 3.547 16.326 ( 1.202 -3.888 -12.566) 13.208 16.417 ( 1.711 -2.429 -1.580) 3.365 16.965 ( 11.280 -2.853 -1.761) 11.767 17.364 ( 7.158 -5.292 -1.052) 8.963 17.831 ( -4.361 15.602 9.783) 18.925 18.428 ( -1.811 -0.865 -9.008) 9.229 19.527 ( 2.316 -2.726 20.758) 21.064 20.582 ( -5.371 1.467 9.109) 10.676 22.213 ( 6.633 2.303 -5.821) 9.121 25.139 ( -0.356 13.757 0.850) 13.788 26.346 ( -0.272 -3.039 -8.717) 9.236 26.764 ( 5.205 -15.311 6.596) 17.465 27.343 ( -13.886 5.308 0.118) 14.867 ======================= Grid point 185 (81/227) ======================= q-point: (-0.30 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( -5.085 0.000 -11.679) 12.738 3.332 ( -6.577 0.000 5.152) 8.354 4.003 ( -4.251 0.000 -5.114) 6.651 4.477 ( -5.268 0.000 3.137) 6.131 4.987 ( 14.401 -0.000 -9.097) 17.034 5.525 ( 29.162 -0.000 -4.386) 29.490 5.978 ( -15.652 0.000 4.306) 16.233 6.269 ( -32.183 0.000 3.439) 32.366 6.466 ( 3.700 -0.000 -7.219) 8.112 6.516 ( 11.432 -0.000 10.728) 15.677 7.045 ( 19.131 -0.000 11.194) 22.165 7.227 ( 11.115 -0.000 1.597) 11.229 7.459 ( -3.999 0.000 7.068) 8.121 7.550 ( -31.389 0.000 -5.552) 31.876 7.853 ( -5.718 0.000 -0.828) 5.777 9.069 ( -14.820 0.000 -3.657) 15.265 9.657 ( -8.743 0.000 -2.369) 9.058 10.374 ( -8.755 0.000 -3.047) 9.270 11.040 ( -14.533 0.000 20.704) 25.295 11.854 ( 7.164 -0.000 -20.746) 21.948 11.876 ( 12.608 -0.000 8.123) 14.998 12.037 ( -0.827 0.000 17.365) 17.385 12.713 ( -3.437 0.000 -31.168) 31.357 12.940 ( 7.671 -0.000 -8.267) 11.278 13.439 ( 6.126 -0.000 7.701) 9.840 13.682 ( 10.250 -0.000 -0.526) 10.263 14.175 ( 9.474 -0.000 12.458) 15.651 14.184 ( 0.100 -0.000 -3.173) 3.174 14.884 ( -0.510 0.000 -4.426) 4.455 15.048 ( -10.717 0.000 4.018) 11.446 15.264 ( -4.762 0.000 3.832) 6.112 15.873 ( 16.034 -0.000 -7.756) 17.812 16.325 ( -3.143 0.000 -11.737) 12.150 16.413 ( -2.761 0.000 -3.091) 4.144 16.607 ( 18.213 -0.000 -8.660) 20.167 17.280 ( -1.165 0.000 0.178) 1.179 18.189 ( 3.795 -0.000 16.362) 16.796 18.357 ( -4.157 0.000 -10.906) 11.671 19.432 ( 1.026 -0.000 17.618) 17.648 20.687 ( -3.021 0.000 11.329) 11.724 21.975 ( 21.698 -0.000 -5.603) 22.410 25.403 ( 8.382 -0.000 -3.271) 8.997 26.209 ( -4.279 0.000 1.112) 4.421 26.595 ( -8.109 0.000 3.463) 8.818 27.720 ( -16.688 0.000 -2.500) 16.874 ======================= Grid point 186 (82/227) ======================= q-point: (-0.20 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( -10.136 15.574 -7.892) 20.189 3.255 ( -9.568 -8.485 1.909) 12.930 3.956 ( -2.915 -3.210 -2.756) 5.138 4.356 ( -5.722 1.055 2.066) 6.175 5.193 ( 5.944 0.509 -4.913) 7.729 5.527 ( -44.073 -0.124 2.515) 44.145 5.560 ( -19.206 11.801 5.177) 23.129 6.115 ( 31.867 0.546 -3.340) 32.046 6.493 ( -1.494 7.362 -2.346) 7.870 6.711 ( 4.480 -0.889 7.602) 8.869 6.964 ( -26.359 -11.280 5.853) 29.263 7.112 ( -10.542 0.428 2.116) 10.761 7.510 ( 20.118 -10.864 4.323) 23.269 7.710 ( 2.905 -1.147 -3.327) 4.564 7.858 ( 18.087 -0.005 7.197) 19.466 8.897 ( -5.304 -1.859 -12.149) 13.386 9.540 ( -2.428 2.439 -3.164) 4.675 10.206 ( -12.830 -3.454 -7.163) 15.095 10.845 ( -7.685 -0.594 24.406) 25.595 11.939 ( 7.059 14.174 5.953) 16.916 11.961 ( 4.211 -1.906 -18.043) 18.626 12.094 ( 3.103 -0.300 10.463) 10.918 12.669 ( -3.362 -5.804 -29.039) 29.804 13.074 ( 8.816 2.989 -4.656) 10.409 13.516 ( 4.624 4.061 7.772) 9.913 13.902 ( 11.810 -3.954 -3.929) 13.059 14.140 ( -3.365 3.330 -1.035) 4.845 14.387 ( 11.206 -5.467 10.660) 16.404 14.800 ( -5.196 10.380 1.561) 11.712 14.926 ( -1.969 -1.955 -4.896) 5.627 15.212 ( -4.733 -6.288 5.325) 9.503 16.145 ( 10.112 -1.238 -7.300) 12.533 16.267 ( -3.257 -1.568 -12.334) 12.853 16.383 ( 1.129 -0.821 -3.245) 3.533 16.915 ( 15.432 -1.527 -4.119) 16.045 17.293 ( 2.278 -1.599 -0.275) 2.797 18.132 ( -2.109 12.890 7.974) 15.303 18.347 ( -2.144 -7.077 -2.140) 7.698 19.473 ( 2.289 -1.761 18.937) 19.156 20.600 ( -6.682 0.365 10.263) 12.252 22.259 ( 11.038 1.463 -7.800) 13.594 25.472 ( 6.282 14.996 -1.176) 16.301 26.204 ( -1.373 -10.815 -4.102) 11.648 26.508 ( -3.592 -5.741 7.461) 10.076 27.417 ( -16.595 1.736 -1.311) 16.737 ======================= Grid point 187 (83/227) ======================= q-point: (-0.10 -0.30 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -12.380 13.663 -2.472) 18.602 3.113 ( -16.865 -7.799 0.044) 18.581 3.956 ( -1.172 -2.321 -2.040) 3.305 4.283 ( -5.221 -2.571 3.189) 6.636 4.752 ( -42.859 -7.345 -3.489) 43.623 4.969 ( -19.724 3.351 13.358) 24.056 5.443 ( 4.938 2.073 -1.121) 5.472 5.994 ( -33.968 0.031 11.891) 35.989 6.593 ( -7.106 0.112 -0.018) 7.107 6.725 ( -7.478 -3.617 1.241) 8.399 6.836 ( 25.249 -5.695 -0.492) 25.888 7.168 ( 8.283 -0.140 2.465) 8.643 7.682 ( -0.097 3.374 0.428) 3.403 7.968 ( 18.481 -8.679 0.704) 20.430 8.210 ( 17.895 3.854 4.079) 18.754 8.905 ( 2.374 -4.281 -17.369) 18.045 9.565 ( 8.222 0.134 -4.484) 9.366 10.009 ( -15.078 -7.400 -7.345) 18.332 10.796 ( 0.991 1.059 22.288) 22.335 11.920 ( 8.132 14.045 1.654) 16.313 12.027 ( 1.594 0.102 -17.806) 17.877 12.102 ( 0.633 2.410 5.761) 6.277 12.713 ( 0.272 -8.168 -19.216) 20.882 13.164 ( 7.871 8.425 2.688) 11.839 13.538 ( 3.274 3.648 -3.001) 5.747 14.011 ( -5.409 4.874 0.867) 7.333 14.142 ( 9.874 -4.150 -3.183) 11.173 14.571 ( -5.402 13.772 3.473) 15.196 14.658 ( 11.614 -6.325 7.297) 15.104 14.937 ( 0.591 -1.355 -9.579) 9.692 15.225 ( -2.304 -6.982 6.298) 9.681 16.117 ( -6.416 2.168 -7.499) 10.105 16.262 ( -2.973 -4.388 -7.050) 8.820 16.534 ( 11.448 0.225 -5.145) 12.553 17.120 ( 7.311 1.627 1.033) 7.560 17.427 ( 7.413 -7.987 1.309) 10.975 17.897 ( -7.382 16.245 7.388) 19.312 18.377 ( -1.093 -3.953 -5.175) 6.603 19.555 ( 3.835 -2.768 22.137) 22.636 20.464 ( -8.729 -0.293 7.738) 11.669 22.293 ( -2.926 6.844 -9.321) 11.928 25.313 ( -0.588 21.993 2.175) 22.108 26.310 ( 1.479 -5.828 -9.034) 10.851 26.679 ( 6.456 -20.743 7.246) 22.901 27.139 ( -12.255 -0.690 1.565) 12.374 ======================= Grid point 196 (84/227) ======================= q-point: (-0.20 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( -16.174 0.000 -10.086) 19.061 2.978 ( -16.818 0.000 5.199) 17.603 3.937 ( 2.019 -0.000 -1.569) 2.557 4.256 ( -9.170 0.000 5.812) 10.856 4.660 ( -48.475 0.000 -4.928) 48.725 5.041 ( -20.389 0.000 11.260) 23.291 5.480 ( 0.725 -0.000 -0.092) 0.731 5.938 ( -48.904 0.000 21.742) 53.519 6.631 ( -2.727 0.000 1.538) 3.131 6.645 ( -12.766 0.000 -4.751) 13.621 6.786 ( 34.927 -0.000 -3.473) 35.100 7.158 ( 10.752 -0.000 6.377) 12.501 7.719 ( 1.666 -0.000 -0.445) 1.725 7.867 ( 22.824 -0.000 2.732) 22.987 8.255 ( 21.375 -0.000 4.054) 21.756 8.877 ( 3.527 -0.000 -18.326) 18.662 9.578 ( 5.637 -0.000 -4.943) 7.498 9.912 ( -17.018 0.000 -9.701) 19.589 10.807 ( 2.564 -0.000 22.939) 23.082 11.973 ( -0.574 0.000 10.239) 10.256 11.993 ( -0.755 0.000 -17.619) 17.636 12.323 ( 12.994 -0.000 3.553) 13.471 12.554 ( -3.675 0.000 -30.428) 30.649 13.259 ( 9.752 -0.000 -2.095) 9.974 13.614 ( 2.968 -0.000 14.775) 15.070 13.965 ( -1.930 0.000 -8.318) 8.539 14.200 ( 6.473 -0.000 -8.635) 10.792 14.531 ( 9.734 -0.000 8.231) 12.748 14.865 ( 1.588 -0.000 3.041) 3.431 14.866 ( -1.840 0.000 -5.241) 5.555 15.088 ( -2.727 0.000 7.569) 8.045 16.166 ( -6.137 0.000 -12.382) 13.819 16.191 ( -2.962 0.000 -3.820) 4.833 16.538 ( 14.272 -0.000 -6.597) 15.723 17.149 ( 11.404 -0.000 1.788) 11.543 17.326 ( 2.968 -0.000 -0.549) 3.018 18.146 ( -8.738 0.000 -2.320) 9.041 18.261 ( 0.873 -0.000 8.408) 8.453 19.520 ( 3.866 -0.000 20.350) 20.714 20.460 ( -9.391 0.000 8.534) 12.690 22.371 ( 0.584 -0.000 -11.802) 11.816 25.747 ( 11.122 -0.000 -2.926) 11.501 26.056 ( -4.227 0.000 -0.597) 4.269 26.438 ( -0.106 0.000 8.387) 8.388 27.141 ( -15.662 0.000 -0.489) 15.669 ======================= Grid point 197 (85/227) ======================= q-point: (-0.10 -0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -19.541 9.002 -2.785) 21.694 2.644 ( -26.999 -9.324 6.378) 29.267 3.654 ( -49.228 -3.673 -0.313) 49.366 4.025 ( 4.209 -3.308 -2.030) 5.725 4.218 ( -20.068 -8.042 13.592) 25.537 4.689 ( -14.941 4.949 16.555) 22.843 5.227 ( -32.638 -10.992 17.909) 38.818 5.468 ( -2.956 -0.088 1.185) 3.186 6.373 ( -14.711 2.298 -6.645) 16.305 6.561 ( -8.244 -5.503 2.756) 10.288 7.340 ( 14.132 3.479 4.511) 15.237 7.399 ( 29.319 0.211 -1.563) 29.362 7.764 ( 4.592 2.714 2.959) 6.100 8.233 ( 16.191 -1.959 0.534) 16.318 8.519 ( 10.911 4.777 1.713) 12.033 8.972 ( 6.865 0.300 -22.596) 23.618 9.663 ( -13.667 -6.589 -10.205) 18.285 9.757 ( 13.634 -1.674 -5.660) 14.857 10.911 ( 9.181 2.334 19.603) 21.771 11.958 ( -2.926 -1.630 -14.420) 14.803 11.992 ( 0.474 -3.512 7.144) 7.975 12.366 ( 6.006 16.938 -13.334) 22.377 12.661 ( 6.490 -10.988 -10.302) 16.401 13.387 ( 8.022 6.531 3.234) 10.838 13.626 ( 1.792 4.284 4.031) 6.149 13.899 ( -6.291 -3.050 -1.217) 7.096 14.277 ( 2.796 1.708 -16.024) 16.356 14.641 ( -0.432 10.279 -0.037) 10.288 14.791 ( 5.585 -3.423 4.078) 7.716 14.950 ( 3.532 -0.544 -2.295) 4.247 15.168 ( 6.152 -5.431 9.568) 12.605 16.018 ( -8.135 3.077 -10.020) 13.268 16.155 ( -3.195 -4.258 -1.876) 5.644 16.766 ( 12.367 2.841 -6.015) 14.043 17.250 ( 3.288 5.125 4.865) 7.794 17.441 ( 4.227 -9.081 4.832) 11.121 17.892 ( -11.265 12.165 2.067) 16.708 18.322 ( 1.478 -5.373 -1.359) 5.736 19.619 ( 5.929 -1.732 24.082) 24.861 20.292 ( -10.059 -0.714 6.018) 11.743 22.241 ( -12.008 8.058 -15.911) 21.501 25.592 ( -0.284 34.339 3.024) 34.473 26.256 ( 4.452 -16.345 -10.324) 19.839 26.582 ( 7.329 -19.418 11.303) 23.634 26.908 ( -10.450 -5.375 2.446) 12.003 ======================= Grid point 207 (86/227) ======================= q-point: (-0.10 -0.10 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -30.031 0.000 3.003) 30.181 2.007 ( -36.788 0.000 19.263) 41.526 2.805 ( -37.619 0.000 0.288) 37.621 3.526 ( -49.190 0.000 52.853) 72.202 4.131 ( 7.527 -0.000 -3.991) 8.519 4.561 ( -4.843 0.000 12.037) 12.975 4.901 ( -1.051 0.000 -0.082) 1.054 5.357 ( -9.135 0.000 3.036) 9.627 6.157 ( -10.998 0.000 -8.814) 14.094 6.320 ( -15.498 0.000 3.733) 15.942 7.539 ( 8.775 -0.000 3.087) 9.302 7.860 ( 4.157 -0.000 4.854) 6.391 7.962 ( 30.420 -0.000 -1.813) 30.474 8.447 ( 9.525 -0.000 0.032) 9.525 8.667 ( 3.401 -0.000 2.277) 4.093 9.046 ( -2.990 0.000 -27.933) 28.093 9.454 ( -2.321 0.000 -12.809) 13.018 10.007 ( 15.148 -0.000 -5.277) 16.041 11.139 ( 13.752 -0.000 17.993) 22.646 11.864 ( -5.279 0.000 -16.929) 17.733 11.999 ( 2.173 -0.000 8.366) 8.643 12.525 ( 3.380 -0.000 -18.723) 19.025 12.768 ( 11.885 -0.000 0.608) 11.900 13.556 ( 6.118 -0.000 -0.675) 6.155 13.681 ( 0.825 -0.000 12.883) 12.909 13.762 ( -5.850 0.000 -7.760) 9.718 14.224 ( -8.416 0.000 -21.834) 23.400 14.640 ( -7.876 0.000 -0.206) 7.878 14.848 ( 9.059 -0.000 -3.172) 9.599 15.075 ( 7.450 -0.000 4.494) 8.700 15.344 ( 14.254 -0.000 9.260) 16.997 15.872 ( -10.469 0.000 -11.779) 15.759 16.121 ( 3.935 -0.000 7.225) 8.227 16.983 ( 9.915 -0.000 -5.313) 11.249 17.306 ( -2.447 0.000 13.445) 13.666 17.420 ( 0.758 -0.000 10.362) 10.389 17.739 ( -12.032 0.000 -7.204) 14.024 18.348 ( 4.621 -0.000 -1.059) 4.741 19.741 ( 8.786 -0.000 28.044) 29.388 20.119 ( -8.952 0.000 3.805) 9.727 22.003 ( -21.985 0.000 -25.555) 33.710 25.937 ( -2.263 0.000 -1.843) 2.919 26.142 ( 10.888 -0.000 -6.697) 12.783 26.606 ( 8.681 -0.000 15.782) 18.012 26.684 ( -9.925 0.000 1.285) 10.008 ======================= Grid point 208 (87/227) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 13.482 -0.000 39.242) 41.493 2.053 ( 2.336 -0.000 40.662) 40.729 2.955 ( 6.572 -0.000 15.324) 16.674 3.666 ( -12.288 0.000 66.129) 67.261 4.107 ( 0.260 -0.000 -8.633) 8.637 4.780 ( 2.239 -0.000 8.896) 9.174 5.015 ( -12.014 0.000 3.714) 12.575 5.113 ( 6.334 -0.000 -1.249) 6.456 5.430 ( -26.523 0.000 9.266) 28.095 5.845 ( 1.356 -0.000 -8.999) 9.101 7.419 ( -12.873 0.000 -16.022) 20.552 7.713 ( 3.651 -0.000 -3.754) 5.237 7.967 ( -7.044 0.000 7.914) 10.595 8.204 ( -11.056 0.000 -12.398) 16.612 8.858 ( 1.680 -0.000 8.932) 9.088 9.026 ( 2.369 -0.000 -7.753) 8.107 9.437 ( 27.229 -0.000 -27.020) 38.360 10.179 ( 2.401 -0.000 -10.993) 11.252 11.417 ( -1.158 0.000 -12.409) 12.463 11.810 ( -0.048 0.000 18.526) 18.526 12.255 ( 2.107 -0.000 6.337) 6.678 12.696 ( 15.926 -0.000 -3.570) 16.321 13.027 ( -10.657 0.000 -3.440) 11.198 13.244 ( 7.656 -0.000 2.142) 7.950 13.630 ( -5.321 0.000 5.369) 7.559 13.861 ( -3.363 0.000 -4.939) 5.975 13.881 ( -2.349 0.000 10.409) 10.671 14.706 ( 14.573 -0.000 -11.492) 18.559 14.945 ( 3.920 -0.000 -7.066) 8.081 15.169 ( -8.343 0.000 -13.649) 15.997 15.253 ( -2.692 0.000 -2.808) 3.890 15.578 ( -1.869 0.000 -1.335) 2.297 16.570 ( 6.602 -0.000 -17.689) 18.881 17.121 ( -14.028 0.000 5.028) 14.902 17.264 ( 6.913 -0.000 0.721) 6.950 17.428 ( -7.115 0.000 13.561) 15.314 18.453 ( 14.074 -0.000 14.147) 19.956 18.514 ( 5.266 -0.000 -0.050) 5.266 19.994 ( 0.188 -0.000 2.293) 2.301 20.181 ( -15.174 0.000 1.572) 15.255 21.219 ( 24.868 -0.000 3.325) 25.090 25.867 ( 1.110 -0.000 -2.259) 2.517 26.031 ( -34.255 0.000 0.676) 34.262 26.435 ( 4.541 -0.000 -2.714) 5.290 26.539 ( -0.673 0.000 2.233) 2.332 ======================= Grid point 209 (88/227) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 16.361 10.252 33.058) 38.283 2.370 ( 0.506 -12.436 45.160) 46.844 3.018 ( 9.347 -6.100 16.413) 19.849 3.765 ( 17.294 -1.237 46.033) 49.190 4.199 ( -0.327 -13.504 -7.855) 15.626 4.762 ( -10.481 -1.174 8.372) 13.466 4.925 ( -5.518 -3.031 2.424) 6.746 4.993 ( -0.433 -18.921 2.660) 19.112 5.453 ( 15.086 5.940 -1.597) 16.292 5.965 ( 3.719 -12.105 -10.351) 16.356 7.213 ( -9.792 -0.456 -1.909) 9.987 7.704 ( -7.115 1.170 -4.336) 8.414 7.821 ( -2.414 6.293 9.154) 11.367 8.042 ( -9.809 -4.507 -13.151) 17.014 8.846 ( 1.222 5.653 6.641) 8.807 9.105 ( 3.056 -4.131 -11.090) 12.222 9.728 ( 11.389 11.845 -18.101) 24.447 10.220 ( -0.441 -7.989 -12.329) 14.698 11.387 ( -2.744 -0.148 -11.007) 11.344 11.757 ( -3.788 3.613 19.732) 20.414 12.288 ( -0.270 -2.277 -0.172) 2.299 12.754 ( -15.056 1.709 0.135) 15.153 12.940 ( 13.472 6.615 -0.863) 15.033 13.374 ( -2.796 -5.125 6.999) 9.115 13.562 ( 6.804 4.913 -2.188) 8.673 13.815 ( -1.571 1.628 -2.421) 3.314 13.886 ( 1.419 -3.946 8.558) 9.531 14.834 ( -6.366 5.417 -5.049) 9.765 14.976 ( 6.017 -0.260 -13.111) 14.428 15.078 ( -2.528 -0.187 -11.336) 11.616 15.267 ( 7.222 -0.216 -10.176) 12.481 15.504 ( -7.060 0.324 0.150) 7.069 16.616 ( 0.196 1.687 -18.359) 18.438 16.910 ( -4.409 4.627 3.028) 7.072 17.276 ( -7.372 3.155 11.466) 13.992 17.369 ( 3.989 1.917 3.944) 5.927 18.226 ( -24.627 7.798 15.449) 30.099 18.596 ( 1.711 0.296 1.461) 2.270 19.909 ( -5.294 -0.360 6.963) 8.755 20.283 ( 13.720 -3.159 8.755) 16.579 21.665 ( 34.578 24.640 -12.556) 44.277 25.164 ( -19.470 21.554 13.193) 31.901 26.140 ( -8.717 -25.850 -6.719) 28.096 26.605 ( 0.654 -14.024 -0.089) 14.040 26.650 ( 7.937 -12.411 0.359) 14.736 ======================= Grid point 210 (89/227) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 19.322 16.431 19.395) 31.929 2.478 ( 4.157 -16.003 38.224) 41.647 3.410 ( 21.057 -11.962 7.982) 25.499 4.192 ( 2.829 -9.532 -0.016) 9.943 4.300 ( 14.937 -9.807 15.825) 23.868 4.606 ( -7.003 -2.914 11.802) 14.030 4.969 ( 4.678 -3.779 2.620) 6.560 5.313 ( 4.438 -20.711 -0.094) 21.181 5.726 ( 21.446 -4.527 -7.266) 23.092 6.132 ( 0.472 -10.656 -9.280) 14.138 7.089 ( -7.830 -4.760 5.629) 10.754 7.492 ( -11.745 2.151 -0.076) 11.940 7.720 ( -1.941 8.886 0.244) 9.098 7.987 ( -4.230 -8.476 -7.811) 12.278 8.777 ( -4.008 4.454 7.498) 9.598 9.183 ( 3.798 0.660 -14.695) 15.192 9.695 ( 2.398 10.372 -7.124) 12.810 10.261 ( -6.577 -8.601 -10.473) 15.064 11.303 ( -5.454 2.747 -6.479) 8.903 11.636 ( -5.422 3.010 17.145) 18.232 12.255 ( -5.351 1.396 -5.756) 7.982 12.526 ( -9.963 -2.412 -4.069) 11.029 12.983 ( 1.130 10.148 7.935) 12.931 13.309 ( -5.122 -0.771 -4.418) 6.808 13.652 ( 9.155 12.303 3.160) 15.658 13.854 ( 4.722 -2.245 -5.311) 7.453 14.003 ( 8.012 -3.625 8.866) 12.488 14.615 ( -11.797 0.718 -4.715) 12.724 14.961 ( -8.120 0.419 -2.912) 8.636 15.024 ( 4.666 10.269 -10.351) 15.309 15.332 ( -11.091 -0.093 0.699) 11.113 15.512 ( 13.959 -5.357 -18.927) 24.120 16.589 ( 1.366 2.266 -13.006) 13.273 16.850 ( 2.907 9.048 -2.536) 9.837 17.104 ( -7.958 4.906 9.994) 13.685 17.352 ( -2.878 4.612 5.127) 7.473 17.770 ( -18.663 -1.618 17.290) 25.492 18.579 ( -0.146 5.585 1.551) 5.798 19.864 ( -0.931 -0.268 11.498) 11.539 20.518 ( 6.737 -6.353 14.277) 17.017 21.869 ( 24.583 30.185 -12.435) 40.867 24.878 ( -4.468 0.974 5.607) 7.235 26.203 ( -2.048 -6.810 -7.768) 10.531 26.756 ( 2.099 -11.063 1.413) 11.348 26.933 ( 1.287 -22.444 -1.071) 22.506 ======================= Grid point 211 (90/227) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 9.824 14.053 13.575) 21.870 2.887 ( 17.882 -14.484 17.273) 28.773 3.875 ( 13.641 -10.204 -1.797) 17.129 4.230 ( 3.180 -5.026 -3.961) 7.146 4.455 ( -1.790 -1.110 8.638) 8.891 4.884 ( 21.568 -11.667 6.007) 25.246 5.101 ( 5.316 -2.630 0.809) 5.986 5.502 ( 3.408 -9.603 -1.660) 10.324 6.067 ( -4.086 -5.974 -16.508) 18.025 6.351 ( 17.264 -15.631 3.052) 23.488 7.033 ( -5.528 -5.462 12.495) 14.715 7.307 ( -7.381 -0.879 0.071) 7.433 7.634 ( 2.769 4.531 -1.645) 5.559 8.012 ( -3.594 -7.307 -3.288) 8.782 8.624 ( -10.077 0.116 9.265) 13.689 9.204 ( 1.731 5.191 -14.866) 15.842 9.654 ( 2.288 4.200 -3.648) 6.015 10.166 ( -10.829 -4.303 -4.810) 12.607 11.156 ( -6.643 3.040 -1.200) 7.403 11.538 ( -5.657 -2.155 11.808) 13.269 12.070 ( -9.646 6.867 -2.518) 12.106 12.448 ( -4.979 -5.958 -13.465) 15.543 12.848 ( -5.433 5.838 9.345) 12.285 13.178 ( -2.470 12.999 -6.087) 14.564 13.695 ( 9.704 10.851 2.112) 14.710 13.861 ( -3.054 4.982 1.309) 5.989 14.233 ( 13.145 -1.104 5.214) 14.185 14.437 ( -9.353 -2.156 -3.891) 10.357 14.840 ( -5.560 -3.199 -5.122) 8.209 14.941 ( -4.157 6.206 0.598) 7.494 15.185 ( -3.904 1.342 -4.760) 6.301 15.788 ( 11.257 -4.428 -20.032) 23.401 16.635 ( 6.584 2.368 -10.487) 12.607 16.757 ( -3.371 8.927 -0.587) 9.560 16.895 ( -4.540 13.156 9.693) 16.961 17.247 ( -3.839 -1.246 1.715) 4.385 17.637 ( -6.847 -9.468 12.397) 17.036 18.487 ( -2.232 7.280 1.292) 7.723 19.876 ( 1.407 -0.529 14.948) 15.024 20.660 ( 1.485 -7.172 13.962) 15.767 21.967 ( 16.866 19.202 -9.811) 27.376 24.865 ( -0.057 -2.664 0.552) 2.721 26.226 ( 0.560 -0.720 -7.838) 7.891 26.893 ( 2.217 -7.394 1.425) 7.850 27.137 ( -1.435 -17.452 0.778) 17.528 ======================= Grid point 212 (91/227) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 4.143 10.791 9.264) 14.813 3.262 ( 9.017 -7.994 5.486) 13.240 4.054 ( 1.941 -7.219 -5.697) 9.399 4.302 ( -1.551 4.159 -8.192) 9.318 4.606 ( 16.929 -5.585 3.396) 18.147 5.164 ( 0.551 -1.270 -1.638) 2.145 5.415 ( 23.980 -11.409 7.952) 27.721 5.720 ( 9.296 -10.283 -6.771) 15.427 5.906 ( -14.608 -1.275 -10.809) 18.217 6.672 ( 1.885 -10.383 -2.750) 10.905 6.972 ( -4.401 1.400 8.792) 9.931 7.277 ( 0.803 -1.839 0.648) 2.109 7.754 ( 8.724 0.912 0.801) 8.808 8.006 ( -3.609 -9.348 4.323) 10.913 8.448 ( -10.252 -0.038 10.599) 14.746 9.120 ( -1.854 9.673 -14.163) 17.251 9.691 ( 1.425 -1.700 -0.312) 2.240 10.026 ( -6.079 -2.525 -1.744) 6.809 11.041 ( -5.065 -1.047 -3.413) 6.197 11.470 ( -8.135 -5.970 14.708) 17.836 11.830 ( -7.200 7.920 -1.234) 10.775 12.443 ( -2.725 -5.827 -18.723) 19.797 12.713 ( -2.630 5.152 6.245) 8.512 12.991 ( -0.327 16.322 -0.711) 16.341 13.660 ( -9.237 7.430 3.472) 12.352 13.767 ( 8.717 9.289 -1.201) 12.795 14.330 ( -5.879 -3.254 -1.333) 6.850 14.437 ( 9.178 1.760 3.736) 10.064 14.803 ( -6.014 0.518 5.682) 8.290 14.830 ( -2.403 -6.056 -6.937) 9.517 15.155 ( 1.874 1.675 -7.077) 7.510 15.966 ( 5.915 -1.447 -18.887) 19.844 16.558 ( -9.258 6.311 2.448) 11.469 16.656 ( -1.310 7.699 5.246) 9.408 16.835 ( 13.401 7.923 -7.220) 17.161 17.251 ( 1.586 -1.532 -2.883) 3.630 17.658 ( -5.464 -13.373 10.250) 17.713 18.372 ( -2.982 5.212 0.552) 6.030 19.926 ( 3.105 -0.825 17.652) 17.942 20.726 ( -2.225 -6.360 11.213) 13.082 22.049 ( 9.052 9.051 -7.772) 14.975 24.899 ( -0.051 -3.542 -0.685) 3.608 26.237 ( 1.704 2.007 -7.696) 8.134 26.975 ( 0.170 -4.070 0.875) 4.166 27.256 ( -0.373 -9.098 2.817) 9.531 ======================= Grid point 213 (92/227) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -0.835 6.015 7.463) 9.622 3.355 ( -2.771 -1.239 0.943) 3.178 4.102 ( -2.683 5.116 -9.460) 11.084 4.245 ( 2.244 -4.103 -0.618) 4.718 4.958 ( 14.926 0.846 -5.860) 16.058 5.200 ( 0.068 -5.740 2.509) 6.264 5.543 ( -17.471 4.559 -7.222) 19.447 5.815 ( 2.573 -12.856 1.546) 13.202 6.138 ( 24.186 -8.084 -5.337) 26.053 6.727 ( -4.102 -8.641 0.110) 9.566 6.877 ( -4.212 2.194 1.077) 4.870 7.308 ( 0.923 1.265 1.179) 1.960 7.712 ( -7.586 0.057 -0.335) 7.593 8.150 ( 5.035 -1.788 6.761) 8.618 8.304 ( -1.609 2.952 13.181) 13.603 8.958 ( -1.047 14.882 -14.300) 20.666 9.623 ( -4.273 5.561 4.162) 8.155 10.095 ( 2.042 -7.915 -3.561) 8.916 11.015 ( -1.142 -6.987 -9.495) 11.843 11.374 ( -9.966 -7.880 25.511) 28.499 11.708 ( 0.431 4.590 -8.864) 9.991 12.458 ( 0.173 -2.201 -14.225) 14.395 12.674 ( 2.384 5.035 5.536) 7.854 12.861 ( 1.561 7.947 0.207) 8.102 13.424 ( -8.480 4.683 0.977) 9.736 13.837 ( 6.150 3.156 -2.369) 7.307 14.273 ( -5.290 -3.815 -2.083) 6.847 14.500 ( 0.423 1.624 5.051) 5.323 14.765 ( 1.943 0.318 3.893) 4.362 14.848 ( -0.310 -2.092 -3.690) 4.253 15.200 ( 2.763 -1.967 -6.894) 7.683 16.014 ( -0.613 0.697 -16.242) 16.268 16.355 ( -5.334 6.754 0.956) 8.660 16.563 ( -0.322 5.767 5.081) 7.693 17.022 ( 12.897 4.545 -2.895) 13.977 17.323 ( 6.895 0.753 -9.249) 11.561 17.709 ( -6.455 -15.513 9.492) 19.298 18.291 ( -2.563 0.759 0.274) 2.687 20.004 ( 4.540 -0.570 20.053) 20.568 20.713 ( -6.002 -4.416 8.842) 11.563 22.076 ( 0.072 1.660 -6.782) 6.983 24.936 ( -0.851 -5.534 -0.852) 5.663 26.242 ( 2.483 3.729 -7.464) 8.705 26.980 ( -2.979 -1.566 0.509) 3.404 27.322 ( 2.932 0.364 3.512) 4.589 ======================= Grid point 214 (93/227) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -4.023 2.175 6.516) 7.960 3.220 ( -11.086 2.841 1.715) 11.572 3.982 ( -1.644 5.635 -3.590) 6.881 4.371 ( 6.831 -0.418 -0.185) 6.846 4.820 ( -27.488 8.583 -2.497) 28.904 5.193 ( -2.022 1.626 3.609) 4.445 5.401 ( 3.875 0.897 -0.472) 4.006 5.873 ( -11.292 -12.923 0.153) 17.162 6.589 ( 19.212 2.808 -8.196) 21.075 6.753 ( -5.792 -13.097 -4.896) 15.135 6.797 ( 0.440 2.550 -0.734) 2.690 7.240 ( -2.777 7.465 5.235) 9.531 7.631 ( -3.478 -5.469 2.221) 6.851 8.151 ( 4.632 4.911 2.836) 7.323 8.384 ( 6.408 -1.313 15.454) 16.781 8.799 ( 2.113 16.168 -13.337) 21.065 9.566 ( 5.309 4.874 -0.950) 7.269 10.032 ( -10.001 7.165 -5.891) 13.640 11.135 ( 0.863 -9.293 1.357) 9.431 11.411 ( 3.027 -15.713 11.593) 19.760 11.700 ( 2.091 2.929 -12.930) 13.422 12.501 ( 3.438 0.565 0.360) 3.503 12.604 ( 0.048 9.319 4.754) 10.462 12.946 ( 7.750 -5.133 -5.041) 10.575 13.310 ( -3.730 -3.757 -1.893) 5.622 13.907 ( 2.761 -1.346 -1.521) 3.428 14.217 ( -5.271 -3.313 -2.663) 6.771 14.473 ( -1.669 0.026 2.368) 2.897 14.809 ( 0.613 -1.909 3.033) 3.636 14.881 ( 6.045 3.512 -1.293) 7.109 15.272 ( 2.029 -3.606 -3.945) 5.717 15.930 ( -6.657 1.396 -10.964) 12.902 16.248 ( 0.584 6.917 -4.095) 8.060 16.544 ( 2.703 1.401 3.254) 4.456 17.140 ( 4.735 1.782 2.005) 5.442 17.485 ( 14.599 4.976 -12.478) 19.839 17.747 ( -8.155 -15.771 9.251) 20.020 18.265 ( -2.480 -3.652 1.232) 4.583 20.101 ( 6.029 0.499 22.103) 22.916 20.614 ( -9.283 -2.111 7.647) 12.211 22.002 ( -9.886 -3.669 -7.301) 12.826 24.992 ( -1.519 -9.775 -0.746) 9.920 26.246 ( 3.295 4.976 -7.251) 9.391 26.909 ( -5.492 0.725 0.550) 5.567 27.354 ( 6.606 9.605 2.476) 11.917 ======================= Grid point 215 (94/227) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -5.318 1.575 6.942) 8.885 2.945 ( -14.827 5.699 8.651) 18.088 3.884 ( -12.902 7.557 4.706) 15.675 4.142 ( -22.480 13.528 0.219) 26.238 4.470 ( 6.362 4.088 2.141) 7.859 5.082 ( -7.758 3.631 14.097) 16.495 5.408 ( -4.696 0.143 -5.342) 7.114 5.700 ( -18.451 -4.945 10.764) 21.926 6.431 ( -17.954 9.376 6.824) 21.374 6.746 ( -1.058 7.440 1.401) 7.644 7.049 ( 14.136 -10.984 -18.857) 26.001 7.228 ( 9.970 3.013 -5.807) 11.925 7.718 ( 3.928 -9.330 1.460) 10.228 8.278 ( 10.514 -0.901 2.176) 10.775 8.508 ( 3.164 -5.815 12.823) 14.431 8.705 ( 4.566 13.008 -14.044) 19.680 9.683 ( 0.316 4.947 -5.973) 7.762 9.698 ( -1.076 12.937 -8.672) 15.612 11.226 ( 2.046 -6.976 12.914) 14.820 11.687 ( 1.809 4.010 -10.065) 10.984 11.721 ( 9.195 -15.180 -9.476) 20.119 12.447 ( -2.076 7.541 17.121) 18.823 12.665 ( 10.166 0.641 -4.664) 11.203 13.134 ( 6.707 -3.791 -11.348) 13.716 13.366 ( 0.273 -11.978 0.840) 12.011 13.948 ( -0.852 -2.754 1.093) 3.083 14.166 ( -3.141 -1.363 -3.033) 4.575 14.451 ( -2.162 -2.513 -1.729) 3.739 14.819 ( -1.278 -1.460 -0.184) 1.949 14.993 ( 9.899 2.522 2.191) 10.447 15.340 ( 1.385 -4.221 -0.242) 4.449 15.783 ( -7.739 1.506 -8.745) 11.775 16.208 ( 2.792 6.307 -4.001) 7.974 16.638 ( 6.892 -3.152 0.038) 7.579 17.186 ( 2.040 -1.084 0.680) 2.408 17.654 ( 5.769 2.508 -4.037) 7.474 17.775 ( -0.458 -7.971 7.250) 10.785 18.269 ( -3.093 -6.241 2.097) 7.274 20.206 ( 6.841 2.507 21.510) 22.710 20.453 ( -10.163 -0.784 9.348) 13.830 21.796 ( -20.164 -7.175 -9.294) 23.334 25.096 ( -1.917 -16.727 -0.196) 16.838 26.253 ( 4.251 5.857 -7.100) 10.138 26.783 ( -6.589 2.592 0.680) 7.113 27.349 ( 9.067 18.450 -0.490) 20.564 ======================= Grid point 216 (95/227) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -3.613 3.721 11.962) 13.038 2.602 ( -15.425 9.878 20.371) 27.395 3.185 ( -31.663 17.113 17.590) 40.060 4.049 ( 4.620 2.937 -6.262) 8.318 4.491 ( -0.947 5.889 16.575) 17.615 4.893 ( -8.658 4.025 20.434) 22.555 5.160 ( -21.985 -1.000 11.985) 25.060 5.436 ( -8.829 6.081 4.356) 11.572 6.058 ( -12.058 7.780 -0.033) 14.350 6.539 ( -11.863 11.559 3.531) 16.935 7.362 ( 6.306 -13.523 -5.696) 15.971 7.463 ( 15.021 -1.833 -27.905) 31.744 7.901 ( 4.412 -8.644 0.741) 9.733 8.497 ( 13.521 -1.744 -0.242) 13.636 8.628 ( 4.698 -2.275 1.683) 5.485 8.644 ( -2.561 2.411 -9.471) 10.103 9.336 ( -8.145 15.059 -10.298) 19.979 9.892 ( 12.914 1.510 -8.145) 15.342 11.367 ( 4.497 -6.585 4.048) 8.942 11.659 ( 2.087 3.705 -0.761) 4.320 12.039 ( 12.339 -8.528 -11.088) 18.653 12.353 ( -1.166 4.760 14.510) 15.315 12.849 ( 11.295 1.621 -0.594) 11.426 13.234 ( 2.638 -0.950 -14.310) 14.582 13.523 ( 1.502 -12.994 2.438) 13.306 13.932 ( -2.994 -1.208 4.419) 5.473 14.115 ( -2.332 3.613 -2.818) 5.141 14.461 ( -1.843 -6.537 -3.650) 7.710 14.808 ( 0.557 0.872 -3.445) 3.597 15.138 ( 7.211 0.774 1.561) 7.419 15.418 ( 0.084 -7.158 -1.948) 7.419 15.638 ( -5.893 2.265 -6.330) 8.940 16.237 ( 7.322 3.070 -1.777) 8.136 16.831 ( 9.623 -5.069 -2.320) 11.121 17.270 ( 3.920 -6.559 1.757) 7.840 17.609 ( -11.180 -6.959 5.087) 14.117 17.883 ( 10.770 9.417 10.385) 17.678 18.301 ( -0.406 -7.063 0.184) 7.077 20.203 ( -5.987 3.238 4.520) 8.171 20.388 ( 4.178 -0.047 25.871) 26.206 21.449 ( -28.582 -8.972 -11.548) 32.105 25.280 ( -2.368 -26.295 1.055) 26.422 26.272 ( 5.767 7.032 -6.941) 11.440 26.640 ( -6.269 2.901 0.673) 6.940 27.258 ( 6.552 27.910 -5.912) 29.272 ======================= Grid point 217 (96/227) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -4.041 5.078 28.761) 29.484 2.239 ( -10.289 13.949 34.750) 38.832 2.791 ( 0.636 1.490 16.924) 17.001 4.087 ( -3.897 2.078 6.784) 8.095 4.151 ( -22.401 6.817 45.819) 51.456 4.793 ( 0.208 3.924 11.864) 12.498 4.961 ( 2.593 1.132 1.593) 3.247 5.230 ( -10.525 2.638 1.308) 10.930 5.845 ( -10.075 -0.788 -2.710) 10.463 6.094 ( -21.966 15.285 1.352) 26.795 7.540 ( -0.996 -8.504 -15.842) 18.008 7.637 ( 3.750 -0.745 -17.668) 18.077 8.008 ( -1.036 -5.446 4.864) 7.375 8.439 ( -11.380 5.389 -14.086) 18.894 8.768 ( 2.246 -8.778 6.402) 11.095 8.862 ( 23.182 -2.239 -2.255) 23.399 9.137 ( 2.510 10.770 -19.774) 22.657 10.081 ( 9.082 -0.040 -9.641) 13.245 11.438 ( -0.277 -0.168 -13.014) 13.018 11.736 ( 5.735 -2.453 17.146) 18.245 12.230 ( 4.866 5.367 3.248) 7.939 12.415 ( 10.195 -6.978 -0.553) 12.366 13.008 ( 9.046 1.899 -0.037) 9.243 13.243 ( -2.018 0.259 -9.707) 9.918 13.649 ( -1.176 -8.368 3.773) 9.254 13.889 ( -2.910 -1.662 4.385) 5.519 13.997 ( -4.393 6.792 0.546) 8.107 14.523 ( 4.093 -3.310 -5.593) 7.681 14.851 ( 5.119 -0.033 -6.759) 8.479 15.210 ( 2.205 0.687 -1.148) 2.580 15.385 ( -10.471 -3.705 -12.045) 16.385 15.586 ( 0.816 0.521 -0.032) 0.969 16.403 ( 11.114 -1.186 -7.499) 13.460 17.053 ( 10.272 -3.421 -2.059) 11.021 17.387 ( -10.066 -6.602 1.536) 12.135 17.478 ( -5.273 -7.356 12.428) 15.375 18.030 ( 22.756 8.146 19.340) 30.955 18.404 ( 4.882 -3.929 -0.946) 6.337 20.057 ( -6.338 1.527 2.945) 7.154 20.450 ( -3.423 0.677 15.691) 16.074 21.071 ( -18.061 -8.773 -4.133) 20.500 25.559 ( -3.487 -37.091 1.835) 37.300 26.306 ( 9.485 12.570 -6.808) 17.155 26.519 ( -6.478 -1.008 0.187) 6.559 26.920 ( -8.802 36.729 -9.290) 38.894 ======================= Grid point 219 (97/227) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 6.149 -0.000 43.763) 44.192 2.652 ( 24.221 -0.000 25.529) 35.191 3.191 ( 16.702 -0.000 4.234) 17.231 4.104 ( 0.815 -0.000 -2.802) 2.918 4.152 ( 22.762 -0.000 30.315) 37.909 4.588 ( -7.889 0.000 9.886) 12.648 4.960 ( 4.374 -0.000 0.026) 4.375 4.998 ( 15.728 -0.000 4.341) 16.316 5.765 ( 15.776 -0.000 -4.525) 16.412 5.980 ( 5.247 -0.000 -13.422) 14.411 7.033 ( -10.576 0.000 1.252) 10.650 7.513 ( -12.861 0.000 -1.272) 12.924 7.836 ( -10.089 0.000 -12.307) 15.914 7.866 ( 1.793 -0.000 6.648) 6.885 8.839 ( -5.787 0.000 7.881) 9.777 9.187 ( 7.169 -0.000 -15.147) 16.758 9.887 ( -1.592 0.000 -12.763) 12.862 10.093 ( -4.751 0.000 -6.837) 8.326 11.328 ( -4.151 0.000 -10.132) 10.949 11.681 ( -8.299 0.000 22.944) 24.399 12.248 ( -2.861 0.000 -10.066) 10.465 12.509 ( -11.938 0.000 -4.200) 12.656 13.158 ( -13.421 0.000 8.486) 15.879 13.237 ( 12.695 -0.000 3.255) 13.105 13.813 ( 10.837 -0.000 -10.330) 14.971 13.846 ( 6.486 -0.000 -4.481) 7.883 13.909 ( 5.880 -0.000 17.020) 18.007 14.625 ( -14.368 0.000 -3.161) 14.712 14.968 ( -8.623 0.000 -3.651) 9.364 15.173 ( 8.472 -0.000 -13.431) 15.880 15.331 ( -12.208 0.000 1.070) 12.255 15.419 ( 11.203 -0.000 -17.802) 21.034 16.612 ( 0.885 -0.000 -15.452) 15.477 16.941 ( 3.616 -0.000 -4.981) 6.155 17.138 ( -9.734 0.000 9.313) 13.471 17.416 ( -1.103 0.000 6.003) 6.104 17.777 ( -25.824 0.000 18.012) 31.485 18.637 ( 1.151 -0.000 3.623) 3.801 19.861 ( -0.957 0.000 11.183) 11.224 20.445 ( 6.672 -0.000 13.887) 15.407 22.291 ( 17.664 -0.000 -28.426) 33.467 24.914 ( -13.019 0.000 11.402) 17.306 25.968 ( 4.461 -0.000 -1.445) 4.689 26.674 ( 8.190 -0.000 1.211) 8.279 26.698 ( 5.565 -0.000 2.954) 6.300 ======================= Grid point 220 (98/227) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 14.484 -4.743 25.728) 29.903 2.926 ( 19.806 16.249 13.164) 28.803 3.633 ( 22.154 -12.526 -1.771) 25.512 4.127 ( -0.291 -3.072 0.118) 3.088 4.482 ( 5.916 3.602 8.104) 10.661 4.623 ( 16.079 -10.444 9.264) 21.294 5.050 ( 5.910 -2.208 1.168) 6.416 5.370 ( 16.897 -4.118 3.781) 17.798 6.019 ( 9.784 2.453 -12.984) 16.441 6.125 ( 12.291 -6.910 -3.534) 14.537 6.881 ( -8.263 -6.537 7.378) 12.863 7.304 ( -10.165 0.216 -1.858) 10.336 7.670 ( -7.740 -0.176 -7.977) 11.116 7.905 ( 0.377 -2.095 3.501) 4.097 8.658 ( -13.127 1.744 8.351) 15.656 9.275 ( 2.799 1.649 -14.101) 14.470 9.789 ( -0.526 6.391 -6.712) 9.283 10.056 ( -5.099 -5.300 -3.433) 8.116 11.222 ( -6.823 2.359 -7.683) 10.543 11.496 ( -12.241 -1.358 23.471) 26.506 12.171 ( -5.324 2.740 -14.965) 16.118 12.345 ( -8.369 -3.269 -7.581) 11.755 12.937 ( -8.891 2.313 5.797) 10.864 13.383 ( 6.154 6.104 5.061) 10.037 13.829 ( -1.138 0.184 -8.058) 8.140 13.987 ( 10.446 8.947 7.652) 15.739 14.172 ( 15.102 -5.000 1.413) 15.971 14.390 ( -12.363 -1.483 -1.828) 12.585 14.802 ( -9.690 -0.726 -2.353) 9.998 15.047 ( -13.986 2.267 6.584) 15.623 15.271 ( 4.117 6.193 -13.270) 15.212 15.663 ( 12.073 -6.105 -20.727) 24.752 16.662 ( 5.078 0.507 -13.954) 14.857 16.914 ( -7.515 6.361 2.483) 10.154 17.032 ( 0.243 -1.020 -0.890) 1.376 17.282 ( -10.290 3.692 6.511) 12.724 17.486 ( -9.799 -4.207 13.855) 17.484 18.615 ( -1.780 3.749 5.495) 6.886 19.863 ( 0.353 -0.505 15.217) 15.230 20.537 ( 1.907 -3.616 13.640) 14.239 22.362 ( 4.927 14.159 -18.434) 23.760 24.832 ( 0.365 -0.725 0.404) 0.907 26.107 ( 3.502 -8.734 -2.616) 9.767 26.762 ( 4.326 -0.520 2.419) 4.984 26.895 ( 8.784 -7.424 2.599) 11.791 ======================= Grid point 221 (99/227) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.707 ( 6.479 11.470 9.981) 16.527 3.150 ( 14.664 -0.019 7.552) 16.495 3.971 ( 6.436 -0.445 -3.730) 7.452 4.294 ( 10.559 -9.668 -8.060) 16.430 4.540 ( 10.394 5.146 4.414) 12.410 5.035 ( 11.718 -11.374 1.419) 16.392 5.251 ( 14.631 -6.110 7.962) 17.742 5.617 ( 13.353 1.605 -5.272) 14.446 5.959 ( -7.583 6.354 -13.285) 16.564 6.436 ( 3.831 -11.260 -5.381) 13.054 6.980 ( 7.431 -3.783 13.750) 16.081 7.193 ( -1.238 -4.487 -0.017) 4.655 7.619 ( -0.952 -9.792 -1.373) 9.933 7.879 ( -7.717 -2.068 -0.675) 8.018 8.429 ( -10.103 -0.519 12.117) 15.786 9.250 ( -0.929 2.669 -11.692) 12.029 9.760 ( 3.702 7.096 -5.302) 9.601 10.009 ( -3.415 -0.798 -0.074) 3.508 11.057 ( -7.691 2.376 -3.374) 8.728 11.334 ( -12.054 -6.690 18.009) 22.680 11.989 ( -7.677 7.406 -4.996) 11.779 12.301 ( -3.386 -7.562 -17.839) 19.669 12.811 ( -2.462 3.645 3.250) 5.469 13.324 ( -0.259 14.579 2.663) 14.822 13.754 ( -6.826 2.037 0.426) 7.136 14.010 ( 3.682 10.943 2.786) 11.877 14.250 ( -6.648 -2.788 1.076) 7.289 14.449 ( 11.902 -0.998 0.654) 11.962 14.697 ( -4.459 -5.335 -4.627) 8.352 14.818 ( -9.834 -0.202 7.069) 12.113 15.253 ( 2.467 6.990 -9.980) 12.432 15.903 ( 8.529 -4.305 -20.862) 22.945 16.687 ( -9.417 5.851 4.186) 11.851 16.730 ( 0.522 0.917 -3.299) 3.464 16.994 ( 2.312 5.719 -4.404) 7.579 17.212 ( 2.428 -2.062 -5.478) 6.337 17.408 ( -8.721 -9.442 12.200) 17.721 18.508 ( -4.003 6.502 6.275) 9.883 19.890 ( 0.976 -2.222 18.018) 18.181 20.596 ( -0.910 -5.393 11.137) 12.408 22.269 ( 0.317 10.767 -11.514) 15.767 24.865 ( 1.978 -0.133 -3.094) 3.675 26.231 ( 3.244 -3.769 -3.859) 6.294 26.839 ( 0.742 -5.099 2.708) 5.821 27.125 ( 10.168 -4.473 2.086) 11.302 ======================= Grid point 222 (100/227) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 0.325 15.536 5.721) 16.559 3.327 ( 2.784 -1.905 1.450) 3.671 4.085 ( 6.875 -3.262 -4.921) 9.062 4.313 ( -2.806 7.505 -6.125) 10.086 4.903 ( 21.354 -6.071 -2.739) 22.369 5.187 ( 3.672 3.140 -3.174) 5.781 5.576 ( 5.201 -8.354 4.615) 10.869 5.693 ( -10.775 8.998 -7.784) 16.051 5.941 ( 21.371 -8.870 -3.031) 23.336 6.543 ( -0.839 -9.545 0.997) 9.633 6.959 ( -2.548 5.243 0.176) 5.832 7.301 ( 2.294 -2.176 -1.405) 3.460 7.675 ( -15.457 -3.260 -0.956) 15.826 7.899 ( 8.251 -19.245 7.140) 22.123 8.343 ( -0.076 1.416 14.502) 14.571 9.235 ( 4.822 7.309 -14.505) 16.943 9.722 ( -0.378 5.981 1.829) 6.265 10.000 ( 3.805 0.192 -0.956) 3.928 10.941 ( -4.729 -1.257 -6.669) 8.272 11.204 ( -11.947 -8.324 19.461) 24.305 11.810 ( -4.242 5.304 -1.341) 6.923 12.361 ( 1.992 -6.543 -20.957) 22.045 12.771 ( 2.793 4.719 3.343) 6.423 13.113 ( -5.022 14.593 2.782) 15.682 13.543 ( -11.884 5.464 4.218) 13.743 13.956 ( 1.958 6.561 0.013) 6.847 14.166 ( -7.285 -3.102 1.388) 8.039 14.568 ( 2.486 1.664 -1.359) 3.286 14.702 ( -2.074 -3.240 11.504) 12.130 14.799 ( 4.866 -4.532 -11.031) 12.880 15.225 ( 1.508 4.249 -6.085) 7.573 16.008 ( 0.194 -1.066 -18.403) 18.435 16.495 ( -4.093 6.723 1.862) 8.088 16.648 ( -5.160 2.419 5.645) 8.021 17.090 ( 9.314 2.001 -5.767) 11.136 17.310 ( 6.584 -1.985 -13.391) 15.054 17.384 ( -8.312 -14.662 10.844) 20.041 18.367 ( -4.506 5.622 6.369) 9.616 19.952 ( 2.036 -4.082 19.638) 20.161 20.612 ( -3.873 -4.858 8.746) 10.728 22.142 ( -6.110 4.514 -7.817) 10.900 24.890 ( 1.181 0.486 -3.007) 3.267 26.302 ( 3.654 1.053 -4.504) 5.894 26.885 ( -1.722 -5.154 3.050) 6.231 27.334 ( 11.050 -0.002 0.934) 11.090 ======================= Grid point 223 (101/227) ======================= q-point: (-0.50 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -1.931 12.627 3.998) 13.385 3.283 ( -6.669 2.550 -0.263) 7.144 4.128 ( -0.974 7.639 -5.894) 9.697 4.335 ( 10.620 -2.298 -1.700) 10.998 5.032 ( -16.430 11.009 0.621) 19.787 5.189 ( 4.555 -2.561 -4.710) 7.035 5.506 ( 2.538 8.609 -7.745) 11.855 5.653 ( -2.524 -5.847 10.194) 12.020 6.375 ( 7.501 -17.300 -7.776) 20.397 6.664 ( 9.949 0.152 2.258) 10.204 6.875 ( -0.682 3.681 -0.748) 3.817 7.333 ( 1.741 1.035 -0.110) 2.029 7.485 ( -11.224 -8.203 2.470) 14.119 8.102 ( 0.068 -7.741 2.340) 8.087 8.399 ( 5.473 1.573 16.000) 16.983 9.202 ( 6.712 18.768 -17.018) 26.208 9.672 ( 3.032 4.758 0.298) 5.650 10.095 ( 2.111 0.121 -1.788) 2.770 10.943 ( 1.932 -7.290 -10.011) 12.534 11.141 ( -5.141 -10.684 23.364) 26.200 11.735 ( -1.014 1.150 -4.138) 4.413 12.481 ( 6.035 -2.865 -16.603) 17.896 12.793 ( 3.207 6.884 7.044) 10.358 12.912 ( -2.716 4.818 2.452) 6.050 13.305 ( -8.765 2.169 0.732) 9.059 13.939 ( 1.223 3.033 0.432) 3.299 14.070 ( -8.864 -6.191 1.062) 10.864 14.556 ( 0.733 3.845 -7.441) 8.407 14.728 ( -0.939 -4.649 9.409) 10.537 14.941 ( 8.103 0.133 -8.133) 11.482 15.220 ( 0.413 -0.087 -2.702) 2.734 15.937 ( -7.643 -0.567 -11.738) 14.018 16.409 ( 1.849 8.245 -2.825) 8.909 16.563 ( -1.851 0.747 3.493) 4.024 17.172 ( 2.034 0.614 4.211) 4.716 17.397 ( -8.548 -16.290 9.677) 20.786 17.521 ( 13.886 -1.766 -20.281) 24.643 18.253 ( -3.898 2.139 6.774) 8.103 20.052 ( 3.653 -4.950 20.958) 21.842 20.559 ( -6.952 -2.918 7.093) 10.351 21.947 ( -14.532 -1.281 -5.736) 15.676 24.898 ( 0.139 -0.057 -2.244) 2.249 26.341 ( 3.873 3.717 -5.098) 7.403 26.883 ( -2.896 -2.152 3.493) 5.022 27.508 ( 11.939 4.897 -1.068) 12.948 ======================= Grid point 224 (102/227) ======================= q-point: (-0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( -2.521 9.121 2.306) 9.739 3.084 ( -9.311 6.695 4.437) 12.296 4.052 ( 1.178 8.892 -0.745) 9.000 4.443 ( -22.069 10.251 -1.157) 24.362 4.567 ( 5.928 9.113 7.383) 13.142 5.198 ( -0.641 5.588 1.459) 5.811 5.350 ( -17.826 -5.315 -1.687) 18.677 5.693 ( 3.777 6.603 9.328) 12.037 6.498 ( -7.691 -7.486 0.575) 10.748 6.805 ( 3.412 -5.484 -8.905) 11.001 6.900 ( 6.809 6.125 -0.519) 9.173 7.349 ( 3.155 3.356 -1.469) 4.835 7.498 ( 2.502 -8.951 0.660) 9.318 8.198 ( 4.168 -7.015 2.311) 8.481 8.440 ( 1.678 0.927 14.399) 14.527 9.094 ( 6.117 22.179 -14.826) 27.370 9.747 ( 7.984 2.915 -5.359) 10.048 9.973 ( -6.454 10.849 -6.516) 14.206 11.085 ( 3.090 -7.019 7.513) 10.735 11.347 ( 10.113 -19.106 4.328) 22.047 11.722 ( -1.171 -0.949 -7.910) 8.052 12.580 ( 1.528 3.386 5.181) 6.376 12.703 ( 3.398 5.137 -3.064) 6.879 13.003 ( 6.931 -6.674 -0.613) 9.641 13.230 ( -0.821 -2.558 -3.409) 4.341 13.928 ( -0.776 0.044 1.449) 1.644 13.998 ( -7.936 -8.892 0.540) 11.931 14.523 ( 0.651 4.655 -12.005) 12.892 14.755 ( -1.120 -3.924 5.753) 7.053 15.071 ( 9.043 3.155 -3.049) 10.051 15.235 ( -1.672 -4.605 -1.344) 5.080 15.794 ( -8.430 -0.527 -7.066) 11.013 16.352 ( 0.357 6.408 -2.219) 6.790 16.590 ( 5.094 -0.258 -0.918) 5.182 17.187 ( 0.282 -0.470 4.636) 4.668 17.396 ( -10.731 -15.422 9.351) 20.986 17.791 ( 15.307 -0.776 -16.402) 22.448 18.187 ( -3.548 -1.261 7.905) 8.756 20.187 ( 5.571 -4.443 21.722) 22.861 20.438 ( -8.940 -0.691 6.721) 11.206 21.653 ( -23.620 -5.911 -4.747) 24.807 24.903 ( -0.772 -2.596 -1.436) 3.065 26.360 ( 3.352 4.586 -5.475) 7.889 26.833 ( -2.861 2.063 3.746) 5.146 27.646 ( 12.668 9.986 -4.617) 16.778 ======================= Grid point 225 (103/227) ======================= q-point: (-0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -2.024 5.828 1.305) 6.306 2.857 ( -5.056 12.817 15.515) 20.749 3.634 ( -28.046 24.535 16.044) 40.571 4.137 ( 3.604 5.443 -5.638) 8.626 4.648 ( 5.340 8.720 7.826) 12.876 4.993 ( -17.717 2.928 24.081) 30.039 5.139 ( -6.163 0.949 -6.289) 8.856 5.593 ( -5.677 9.788 6.788) 13.195 6.291 ( -9.840 12.368 6.780) 17.198 6.834 ( -2.902 14.741 -0.840) 15.047 7.006 ( 4.987 -18.272 -5.752) 19.795 7.426 ( 5.407 -3.103 -12.960) 14.381 7.676 ( 4.730 -10.182 -5.222) 12.382 8.391 ( 5.335 -10.259 5.166) 12.665 8.504 ( 8.084 -0.156 7.215) 10.837 8.948 ( 1.413 19.390 -13.321) 23.567 9.626 ( -9.120 11.915 -7.452) 16.753 9.953 ( 10.865 4.503 -9.479) 15.105 11.236 ( 6.683 -6.303 11.319) 14.578 11.684 ( -2.720 -2.682 -7.939) 8.810 11.763 ( 13.012 -15.724 -3.859) 20.772 12.486 ( -2.727 5.847 11.246) 12.965 12.849 ( 11.216 -0.603 -5.549) 12.528 13.209 ( 7.384 -4.589 -8.419) 12.102 13.283 ( 1.681 -6.510 1.142) 6.820 13.904 ( -3.520 -2.853 3.654) 5.821 13.995 ( -3.585 -9.467 -0.843) 10.158 14.477 ( -0.036 4.214 -13.044) 13.708 14.780 ( 0.437 -2.618 2.009) 3.329 15.182 ( 6.520 2.981 0.609) 7.195 15.255 ( -3.316 -8.205 -3.571) 9.543 15.666 ( -5.814 0.459 -3.660) 6.885 16.309 ( 1.075 2.899 -0.692) 3.168 16.731 ( 8.826 -2.872 -2.675) 9.660 17.210 ( 1.932 -0.812 3.652) 4.210 17.347 ( -12.848 -14.646 9.404) 21.633 18.049 ( 15.055 2.575 -4.859) 16.028 18.155 ( -3.217 -4.619 5.281) 7.718 20.260 ( -6.927 2.081 2.543) 7.667 20.357 ( 5.056 -3.625 25.999) 26.733 21.247 ( -31.526 -9.127 -3.472) 33.003 24.933 ( -1.508 -7.552 -0.257) 7.706 26.361 ( 1.657 3.522 -5.201) 6.496 26.752 ( -1.193 6.271 3.496) 7.278 27.726 ( 11.330 16.218 -10.997) 22.635 ======================= Grid point 226 (104/227) ======================= q-point: (-0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -3.473 5.214 6.137) 8.770 2.652 ( 1.871 21.713 28.454) 35.841 2.978 ( -14.873 18.748 21.913) 32.448 4.184 ( 6.181 5.458 -7.354) 11.048 4.361 ( -23.104 13.022 45.812) 52.935 4.857 ( 5.555 2.131 9.021) 10.807 5.049 ( -0.259 6.209 -5.294) 8.163 5.338 ( -11.355 7.964 3.927) 14.414 5.988 ( -9.162 14.864 5.035) 18.172 6.514 ( -10.347 22.705 -2.843) 25.113 7.286 ( 3.921 -16.420 -2.980) 17.143 7.540 ( 1.512 -6.872 -17.272) 18.651 7.829 ( -0.290 -10.382 -4.023) 11.138 8.495 ( -5.112 -6.821 1.791) 8.710 8.703 ( 0.687 7.192 -9.252) 11.739 8.822 ( 16.387 1.894 -0.358) 16.500 9.385 ( -3.268 11.690 -10.663) 16.157 10.093 ( 8.931 1.719 -9.557) 13.193 11.418 ( 6.174 -2.364 -1.029) 6.691 11.654 ( -2.282 -5.310 5.390) 7.903 12.167 ( 14.575 -13.864 -3.950) 20.500 12.392 ( -0.970 6.280 6.323) 8.964 13.027 ( 7.078 -0.660 -4.979) 8.679 13.268 ( 0.819 2.113 -5.224) 5.694 13.439 ( 2.435 -10.380 1.846) 10.821 13.876 ( -1.770 -0.729 3.751) 4.211 14.020 ( -4.588 -5.648 -1.115) 7.361 14.476 ( 4.682 -0.080 -10.800) 11.772 14.840 ( 4.806 -0.975 -2.593) 5.547 15.219 ( -0.884 -2.115 -1.649) 2.824 15.260 ( -6.287 -5.565 -8.622) 12.034 15.600 ( -1.013 0.667 0.740) 1.420 16.359 ( 5.288 -2.851 -2.150) 6.381 16.923 ( 5.483 -7.801 -1.308) 9.624 17.249 ( -7.281 -5.947 1.906) 9.592 17.292 ( -1.003 -7.701 12.313) 14.557 18.158 ( 4.451 0.257 16.219) 16.821 18.305 ( 12.390 -2.756 -5.756) 13.937 20.109 ( -5.549 3.238 2.765) 6.994 20.463 ( -2.632 0.042 14.201) 14.443 20.816 ( -23.382 -13.060 9.587) 28.447 25.011 ( -2.762 -14.561 2.185) 14.981 26.345 ( -0.846 0.338 -4.117) 4.216 26.677 ( 2.171 9.514 2.663) 10.115 27.645 ( 3.035 27.081 -20.236) 33.942 ======================= Grid point 227 (105/227) ======================= q-point: (-0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -1.253 4.132 26.060) 26.415 2.499 ( 6.690 24.083 37.085) 44.721 2.875 ( 7.569 -2.215 15.733) 17.599 3.814 ( -14.087 16.986 62.759) 66.526 4.252 ( 6.156 7.410 -11.351) 14.887 4.922 ( 0.606 8.481 4.523) 9.630 5.047 ( -1.323 0.746 -0.486) 1.594 5.109 ( 2.661 2.609 -0.827) 3.818 5.566 ( -21.995 17.359 6.558) 28.778 6.124 ( -2.719 22.552 -7.094) 23.798 7.363 ( -7.663 -4.634 -9.083) 12.755 7.659 ( 3.593 -7.322 -4.004) 9.086 7.859 ( -7.012 -8.178 2.467) 11.052 8.289 ( -11.839 6.655 -11.680) 17.913 8.731 ( 2.702 -6.756 3.440) 8.049 9.127 ( 5.755 3.212 1.933) 6.868 9.357 ( 14.993 -2.762 -23.160) 27.727 10.214 ( 6.644 2.348 -11.313) 13.328 11.439 ( -1.520 1.753 -13.431) 13.630 11.734 ( 0.048 -7.358 19.601) 20.937 12.318 ( -0.311 3.714 4.362) 5.738 12.562 ( 15.593 -9.740 -2.447) 18.547 13.022 ( -9.986 -0.721 -4.908) 11.150 13.297 ( 8.237 3.132 0.135) 8.814 13.529 ( -2.828 -7.077 4.653) 8.929 13.857 ( -1.288 0.370 -2.621) 2.944 13.937 ( -5.196 1.647 5.955) 8.073 14.649 ( 10.829 -4.828 -10.747) 16.003 14.967 ( 8.744 1.754 -7.856) 11.885 15.140 ( -10.694 -3.728 -13.426) 17.565 15.219 ( -1.661 -2.334 -2.097) 3.550 15.579 ( -2.219 -0.039 0.354) 2.248 16.520 ( 6.536 -4.927 -12.224) 14.711 16.992 ( -11.319 -12.004 5.192) 17.297 17.232 ( 3.809 -2.383 1.768) 4.829 17.351 ( -3.022 -5.484 12.012) 13.546 18.290 ( 2.433 -8.764 10.103) 13.594 18.545 ( 9.018 -1.928 4.855) 10.422 20.035 ( -0.529 3.501 1.805) 3.974 20.182 ( -12.823 0.249 2.161) 13.006 20.957 ( 15.169 -17.785 20.243) 30.922 25.127 ( -6.905 -22.518 6.686) 24.484 26.326 ( -3.173 -2.797 -3.507) 5.495 26.639 ( 5.325 10.460 2.001) 11.907 27.183 ( -12.122 46.252 -21.854) 52.572 ======================= Grid point 230 (106/227) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 14.059 -0.000 11.115) 17.922 3.223 ( 5.151 -0.000 6.878) 8.593 4.040 ( 29.049 -0.000 -8.931) 30.391 4.066 ( -2.846 0.000 1.840) 3.389 4.702 ( 9.786 -0.000 -3.822) 10.506 4.817 ( 16.350 -0.000 7.269) 17.893 5.179 ( 13.021 -0.000 8.240) 15.409 5.654 ( 14.175 -0.000 -5.721) 15.286 6.116 ( 2.309 -0.000 -9.072) 9.361 6.255 ( -3.202 0.000 -12.356) 12.764 6.861 ( 17.258 -0.000 19.921) 26.357 7.169 ( -5.199 0.000 -3.826) 6.455 7.517 ( -8.228 0.000 -3.199) 8.829 7.858 ( -7.608 0.000 0.302) 7.614 8.426 ( -10.921 0.000 12.418) 16.537 9.272 ( -2.130 0.000 -9.925) 10.151 9.864 ( 5.888 -0.000 -9.117) 10.853 9.985 ( -1.841 0.000 1.343) 2.279 11.105 ( -8.198 0.000 -10.682) 13.465 11.240 ( -14.613 0.000 26.850) 30.569 12.134 ( -11.818 0.000 0.999) 11.861 12.151 ( 0.346 -0.000 -24.667) 24.669 12.850 ( -2.207 0.000 1.786) 2.839 13.509 ( 2.234 -0.000 13.674) 13.855 13.757 ( -6.630 0.000 -15.394) 16.761 14.102 ( -8.068 0.000 4.849) 9.413 14.272 ( 3.669 -0.000 12.374) 12.906 14.417 ( 15.486 -0.000 -9.709) 18.278 14.631 ( -8.323 0.000 -2.833) 8.792 14.813 ( -12.213 0.000 10.492) 16.101 15.353 ( 0.678 -0.000 -9.631) 9.655 15.838 ( 11.633 -0.000 -23.634) 26.342 16.733 ( 1.306 -0.000 -5.802) 5.947 16.764 ( -10.558 0.000 4.773) 11.587 17.041 ( -0.603 0.000 -4.604) 4.643 17.185 ( 0.447 -0.000 -5.777) 5.794 17.312 ( -9.024 0.000 12.534) 15.445 18.585 ( -4.237 0.000 8.794) 9.762 19.861 ( -0.478 0.000 18.289) 18.296 20.536 ( 0.033 -0.000 10.770) 10.770 22.401 ( -5.498 0.000 -14.007) 15.048 24.869 ( 3.366 -0.000 -5.522) 6.467 26.156 ( 6.058 -0.000 1.001) 6.140 26.806 ( 1.309 -0.000 6.040) 6.180 27.069 ( 13.714 -0.000 -1.648) 13.812 ======================= Grid point 231 (107/227) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 3.369 10.851 1.267) 11.433 3.266 ( 0.804 -3.539 2.313) 4.304 4.053 ( 3.235 -0.158 -0.954) 3.376 4.430 ( 9.120 2.503 -6.695) 11.587 4.801 ( 7.432 -2.407 -10.343) 12.962 5.191 ( 22.172 -1.773 1.996) 22.332 5.499 ( 16.684 -1.149 8.322) 18.680 5.831 ( 4.963 -0.990 -2.086) 5.474 5.945 ( -4.334 15.131 -9.300) 18.282 6.296 ( 1.182 -14.874 -2.405) 15.114 7.081 ( -1.255 5.899 -2.796) 6.648 7.223 ( 3.828 -4.749 0.091) 6.100 7.533 ( 12.358 -11.766 10.199) 19.879 7.608 ( -19.699 -2.262 -2.625) 20.001 8.361 ( 1.724 0.340 15.612) 15.710 9.278 ( 4.535 -0.121 -8.044) 9.235 9.893 ( 0.154 7.938 -0.954) 7.997 10.008 ( 4.715 -1.374 -4.159) 6.436 10.946 ( -7.091 1.654 -6.646) 9.858 11.051 ( -11.430 -5.675 18.538) 22.505 11.915 ( -8.761 3.964 3.362) 10.186 12.228 ( 4.669 -4.904 -24.132) 25.064 12.845 ( 2.422 1.998 1.493) 3.477 13.406 ( -6.929 11.711 6.771) 15.199 13.602 ( -11.379 -0.637 -3.129) 11.819 13.953 ( -9.196 -3.626 2.869) 10.293 14.280 ( 0.595 9.289 6.623) 11.424 14.534 ( -1.262 -1.699 0.001) 2.117 14.644 ( -3.401 -7.080 -0.337) 7.862 14.714 ( 8.586 0.233 -0.537) 8.606 15.318 ( -1.549 3.181 -5.564) 6.594 15.984 ( 2.508 -0.876 -22.563) 22.719 16.615 ( -2.602 4.027 2.856) 5.581 16.672 ( -6.638 0.194 5.010) 8.319 17.098 ( 6.208 -1.744 -12.421) 13.995 17.151 ( -9.991 -5.211 13.313) 17.442 17.276 ( 5.807 -1.139 -12.776) 14.080 18.474 ( -6.273 3.433 11.012) 13.131 19.868 ( -0.340 -2.904 19.086) 19.309 20.537 ( -1.711 -1.985 8.583) 8.975 22.230 ( -11.529 2.868 -9.467) 15.191 24.921 ( 3.186 1.443 -6.461) 7.347 26.276 ( 5.498 -2.214 1.277) 6.063 26.829 ( 1.087 -0.507 5.699) 5.824 27.321 ( 14.206 -0.736 -2.753) 14.489 ======================= Grid point 232 (108/227) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -2.281 16.150 -1.829) 16.413 3.286 ( -4.299 -3.071 -2.129) 5.696 4.180 ( 7.733 -2.935 -5.592) 9.984 4.401 ( 2.131 9.358 -0.869) 9.636 4.955 ( -1.956 -12.615 -9.095) 15.674 5.366 ( -9.290 14.663 0.138) 17.359 5.639 ( 18.697 3.391 0.726) 19.016 5.782 ( 3.027 17.075 1.565) 17.412 6.033 ( 3.846 -15.118 -0.397) 15.605 6.586 ( 15.232 -9.760 1.819) 18.182 6.948 ( -6.085 4.272 0.442) 7.448 7.270 ( -3.430 -7.465 -0.376) 8.224 7.335 ( -10.142 -4.605 -2.614) 11.441 7.926 ( 13.040 -7.399 1.210) 15.042 8.421 ( 4.645 0.622 17.084) 17.716 9.421 ( 10.919 2.165 -11.941) 16.325 9.797 ( 0.459 7.941 0.007) 7.954 10.108 ( 6.125 1.079 -1.649) 6.434 10.857 ( -2.753 -1.714 -9.928) 10.444 10.958 ( -6.417 -6.781 18.533) 20.751 11.767 ( -4.965 1.766 3.492) 6.321 12.394 ( 8.854 -4.428 -22.367) 24.460 12.888 ( 5.264 3.130 3.107) 6.867 13.115 ( -10.167 12.123 4.037) 16.329 13.369 ( -12.720 2.851 4.781) 13.885 13.854 ( -9.310 -7.515 2.001) 12.131 14.153 ( -2.169 9.939 3.538) 10.770 14.558 ( 0.273 -2.884 -6.175) 6.820 14.639 ( -2.243 -4.821 7.673) 9.335 14.903 ( 8.888 -2.012 -10.021) 13.545 15.259 ( -1.403 2.444 -0.930) 2.967 15.919 ( -8.599 -0.801 -15.034) 17.338 16.528 ( -6.202 1.555 2.043) 6.713 16.625 ( 6.326 6.524 -0.508) 9.102 17.049 ( -10.607 -10.846 15.443) 21.647 17.229 ( 5.157 -0.872 -3.298) 6.183 17.442 ( 10.465 -4.506 -23.938) 26.511 18.321 ( -6.685 3.503 12.656) 14.736 19.926 ( 1.371 -6.077 19.048) 20.041 20.507 ( -4.337 -1.839 7.120) 8.537 21.947 ( -18.479 0.852 -6.092) 19.476 24.944 ( 2.381 3.255 -5.151) 6.542 26.377 ( 4.446 -0.255 0.326) 4.466 26.855 ( 1.232 -0.189 5.155) 5.304 27.565 ( 13.851 1.021 -4.045) 14.466 ======================= Grid point 233 (109/227) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -3.275 14.537 -4.454) 15.553 3.181 ( -6.916 2.071 -0.348) 7.228 4.241 ( 4.077 8.574 -3.446) 10.100 4.462 ( 2.367 -2.846 -3.372) 5.008 4.894 ( -9.196 10.716 5.568) 15.179 5.066 ( -10.429 -5.003 -0.638) 11.585 5.527 ( -6.136 16.460 3.825) 17.978 5.912 ( 14.589 12.365 4.635) 19.677 6.205 ( -2.119 -15.501 -2.275) 15.810 6.803 ( -0.495 1.849 -3.229) 3.753 6.911 ( 4.920 -7.275 2.390) 9.102 7.210 ( -6.346 -9.428 5.722) 12.724 7.474 ( 13.427 -0.637 -5.585) 14.556 8.108 ( 6.695 0.850 -1.081) 6.835 8.482 ( 2.556 1.533 16.310) 16.580 9.508 ( 7.806 14.528 -16.447) 23.292 9.802 ( 6.679 3.179 -3.317) 8.106 10.137 ( -1.188 5.187 -3.637) 6.445 10.932 ( 5.234 -7.547 -5.793) 10.858 11.003 ( 2.602 -12.272 17.336) 21.399 11.694 ( -3.524 -0.849 -1.067) 3.779 12.582 ( 6.558 -2.329 -12.944) 14.696 12.847 ( -4.868 7.935 3.672) 10.007 12.965 ( 5.050 2.749 5.305) 7.823 13.194 ( -3.771 -1.060 0.133) 3.919 13.776 ( -9.817 -9.432 1.627) 13.710 14.027 ( -2.814 5.727 2.231) 6.760 14.574 ( -0.143 0.329 -16.052) 16.056 14.663 ( -1.239 -5.122 8.790) 10.248 15.044 ( 3.173 -4.536 -9.742) 11.205 15.229 ( 1.384 2.933 2.800) 4.285 15.764 ( -9.418 -2.073 -8.417) 12.801 16.411 ( -6.222 -0.204 1.082) 6.319 16.677 ( 7.335 7.310 -1.121) 10.416 17.016 ( -6.860 -11.572 13.189) 18.839 17.282 ( 1.632 1.315 -0.035) 2.097 17.699 ( 11.677 -6.820 -24.888) 28.324 18.193 ( -5.264 0.885 14.909) 15.836 20.048 ( 3.792 -7.897 19.478) 21.358 20.425 ( -6.510 -0.488 5.859) 8.772 21.569 ( -25.584 -2.201 -3.642) 25.936 24.936 ( 1.350 4.212 -3.555) 5.674 26.433 ( 3.025 2.129 -0.935) 3.816 26.872 ( 1.493 1.894 4.932) 5.490 27.777 ( 13.189 3.319 -6.425) 15.041 ======================= Grid point 234 (110/227) ======================= q-point: (-0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.348 ( -3.934 10.989 -6.747) 13.482 3.059 ( -1.326 6.118 6.946) 9.351 4.125 ( -18.950 20.317 7.446) 28.763 4.261 ( 1.277 6.176 -2.376) 6.740 4.841 ( 11.372 8.728 6.399) 15.699 4.910 ( -18.054 -6.575 7.678) 20.691 5.298 ( -1.643 12.670 4.406) 13.515 5.859 ( -3.148 15.306 6.242) 16.827 6.342 ( 1.180 -12.708 -3.708) 13.290 6.767 ( -0.705 2.254 -1.601) 2.853 7.067 ( 5.383 -0.545 4.371) 6.955 7.218 ( -3.812 -11.032 2.811) 12.005 7.653 ( 8.247 5.332 -10.501) 14.377 8.222 ( 4.877 -3.130 3.781) 6.920 8.540 ( 9.594 3.028 9.380) 13.755 9.397 ( 1.790 22.242 -13.863) 26.270 9.812 ( -5.366 6.460 -4.688) 9.618 10.067 ( 6.156 5.802 -10.270) 13.305 11.088 ( 5.375 -8.181 12.040) 15.517 11.361 ( 14.247 -19.929 1.391) 24.538 11.637 ( -5.308 -2.627 -6.340) 8.676 12.549 ( -7.288 -0.138 7.762) 10.648 12.873 ( 10.579 3.231 -6.924) 13.050 13.067 ( 6.498 -4.176 1.262) 7.827 13.243 ( 4.747 -1.816 -5.451) 7.453 13.721 ( -7.251 -10.414 2.391) 12.913 13.944 ( -3.036 0.533 0.782) 3.180 14.536 ( -2.322 1.826 -19.795) 20.014 14.706 ( 0.207 -5.057 7.620) 9.148 15.092 ( -4.110 -7.336 -6.760) 10.789 15.248 ( 3.530 3.295 1.055) 4.942 15.652 ( -5.471 -1.866 -2.989) 6.508 16.321 ( -4.931 -1.588 0.775) 5.238 16.728 ( 2.814 0.119 3.084) 4.177 17.048 ( -1.172 -7.399 8.071) 11.012 17.275 ( 0.966 3.343 0.319) 3.494 17.942 ( 6.648 -7.823 -20.849) 23.240 18.147 ( 0.833 -0.884 17.101) 17.144 20.223 ( 6.110 -8.118 20.519) 22.897 20.302 ( -6.823 1.357 4.761) 8.430 21.107 ( -31.082 -4.267 -1.420) 31.406 24.910 ( 0.551 3.473 -2.384) 4.249 26.436 ( 0.807 3.549 -1.780) 4.051 26.869 ( 2.067 4.829 4.765) 7.092 27.945 ( 11.423 5.965 -10.728) 16.768 ======================= Grid point 235 (111/227) ======================= q-point: (-0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -2.301 6.879 -5.776) 9.272 3.010 ( 5.073 11.526 16.118) 20.454 3.492 ( -19.524 27.448 15.397) 37.036 4.290 ( 6.024 5.137 -3.391) 8.613 4.591 ( -17.863 5.847 25.369) 31.572 4.944 ( 10.010 7.721 5.531) 13.798 5.190 ( 0.686 8.495 0.269) 8.527 5.562 ( -12.324 13.298 6.370) 19.217 6.375 ( 1.201 16.594 1.973) 16.754 6.783 ( -3.100 -9.139 -9.492) 13.537 7.040 ( 1.798 6.816 8.760) 11.244 7.350 ( -0.129 -13.983 -2.428) 14.193 7.698 ( 3.040 1.490 -10.006) 10.563 8.316 ( -0.227 -7.206 6.251) 9.542 8.771 ( 17.100 2.156 -1.636) 17.313 9.109 ( -6.711 21.178 -9.623) 24.210 9.600 ( -6.447 8.869 -7.168) 13.100 10.158 ( 8.319 4.268 -9.834) 13.570 11.304 ( 8.155 -9.230 14.649) 19.139 11.550 ( -6.884 -3.357 -8.700) 11.591 11.833 ( 14.824 -18.394 -0.105) 23.624 12.456 ( -3.708 -1.098 4.702) 6.088 13.013 ( 5.600 0.049 -4.041) 6.906 13.247 ( 5.674 -6.941 -4.877) 10.206 13.305 ( 1.450 0.392 -2.041) 2.534 13.785 ( 2.878 -8.800 2.218) 9.520 13.899 ( -4.432 -3.582 -1.094) 5.802 14.479 ( -1.160 0.145 -17.260) 17.300 14.790 ( 3.851 -5.078 4.728) 7.935 15.073 ( -6.058 -6.992 -8.503) 12.565 15.248 ( -1.590 0.626 -1.236) 2.109 15.605 ( -1.817 -0.427 1.576) 2.443 16.287 ( -1.841 -4.232 1.295) 4.793 16.755 ( -5.661 -8.786 5.437) 11.782 17.123 ( 3.894 -1.692 2.537) 4.945 17.267 ( 1.520 2.249 3.955) 4.797 18.058 ( 0.707 -6.607 -3.532) 7.525 18.277 ( 9.422 -2.862 6.937) 12.045 20.180 ( -3.715 3.319 3.267) 5.958 20.420 ( 6.309 -5.400 18.832) 20.582 20.604 ( -29.973 -5.904 5.051) 30.964 24.892 ( 0.189 0.864 -1.407) 1.662 26.390 ( -1.533 3.665 -2.244) 4.562 26.850 ( 2.865 7.066 4.699) 8.957 28.019 ( 5.987 10.605 -17.396) 21.235 ======================= Grid point 236 (112/227) ======================= q-point: (-0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -2.849 7.554 2.452) 8.438 2.941 ( -0.251 18.321 25.135) 31.105 3.053 ( 3.255 18.527 20.131) 27.551 4.216 ( -8.472 14.158 38.373) 41.769 4.366 ( 6.502 6.896 -8.277) 12.583 5.048 ( 5.967 2.330 -0.426) 6.420 5.097 ( -3.928 9.885 8.701) 13.742 5.250 ( -3.334 9.509 0.376) 10.083 6.091 ( -4.707 29.929 -0.076) 30.297 6.605 ( -6.675 19.039 -7.215) 21.427 7.194 ( 4.170 -13.816 0.441) 14.438 7.438 ( -2.093 -9.403 0.434) 9.642 7.722 ( -2.757 -3.540 -4.482) 6.342 8.337 ( -6.237 -4.019 0.281) 7.425 8.754 ( -3.329 11.455 -9.792) 15.433 9.107 ( 13.173 -1.538 2.072) 13.423 9.430 ( -2.169 7.089 -12.114) 14.202 10.264 ( 8.419 2.742 -9.696) 13.131 11.458 ( -6.527 -2.283 -10.359) 12.454 11.530 ( 4.876 -9.473 17.291) 20.309 12.212 ( 6.265 -13.889 1.989) 15.366 12.467 ( 6.029 -0.997 -0.257) 6.116 13.007 ( -7.304 -0.428 -5.520) 9.165 13.290 ( 0.108 -4.461 -3.186) 5.483 13.425 ( 5.164 -2.157 1.446) 5.780 13.838 ( -6.107 -3.329 -3.009) 7.579 13.919 ( 3.010 -2.556 3.801) 5.481 14.540 ( 5.819 -4.782 -13.111) 15.121 14.949 ( 3.379 -7.458 0.945) 8.242 15.040 ( 0.276 -2.244 -15.879) 16.040 15.186 ( -5.007 -0.927 -1.824) 5.409 15.574 ( -2.981 -0.389 2.773) 4.090 16.370 ( 3.691 -9.081 -0.198) 9.805 16.716 ( -10.517 -12.026 3.930) 16.452 17.192 ( 1.105 -1.120 2.135) 2.652 17.278 ( 0.866 -0.718 8.206) 8.283 18.140 ( -0.218 -5.908 2.674) 6.489 18.458 ( 4.349 -5.567 7.063) 9.989 20.102 ( -9.869 2.024 3.196) 10.569 20.209 ( -0.583 2.792 2.261) 3.639 20.666 ( 8.713 -10.338 24.842) 28.283 24.900 ( -0.405 -2.566 0.398) 2.628 26.320 ( -2.625 2.161 -3.147) 4.633 26.828 ( 3.373 7.844 5.046) 9.918 27.872 ( -5.122 21.213 -23.456) 32.038 ======================= Grid point 237 (113/227) ======================= q-point: (-0.10 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 6.434 1.295 17.147) 18.360 2.691 ( -5.651 18.069 36.756) 41.345 3.148 ( 18.966 9.114 15.632) 26.213 4.072 ( 13.950 20.603 34.211) 42.302 4.379 ( -0.484 4.513 -11.090) 11.983 4.826 ( -12.677 5.495 10.153) 17.146 5.013 ( -3.051 4.708 1.143) 5.725 5.378 ( 15.778 1.666 -0.416) 15.871 5.646 ( -1.119 38.146 -5.139) 38.507 6.309 ( -3.127 18.455 -8.318) 20.483 7.238 ( -4.827 1.762 2.538) 5.731 7.577 ( -0.152 -16.368 6.369) 17.564 7.655 ( -7.610 -3.210 -2.667) 8.679 8.179 ( -7.859 6.136 -9.479) 13.758 8.730 ( 2.756 -2.348 1.610) 3.963 9.187 ( -1.512 2.434 -6.199) 6.830 9.500 ( 8.621 -6.621 -11.206) 15.612 10.356 ( 4.178 4.066 -12.603) 13.886 11.371 ( -5.924 -2.644 -7.453) 9.881 11.644 ( -1.188 -5.853 15.934) 17.017 12.301 ( -2.610 -3.847 -0.698) 4.701 12.668 ( 2.669 -5.514 7.446) 9.642 12.842 ( -4.515 -1.134 -8.071) 9.317 13.405 ( 3.740 -8.992 -0.845) 9.775 13.448 ( -3.397 0.021 -1.609) 3.759 13.792 ( 0.414 -0.926 -0.566) 1.161 13.959 ( 2.297 2.166 6.214) 6.970 14.697 ( 1.791 -6.400 -9.006) 11.192 14.919 ( -5.607 -5.623 -8.674) 11.760 15.079 ( -5.639 -0.400 -3.800) 6.812 15.277 ( 15.742 -0.030 -15.215) 21.893 15.493 ( -7.143 -0.406 1.542) 7.319 16.545 ( 3.176 -5.585 -11.635) 13.291 16.697 ( -4.172 -14.962 6.438) 16.814 17.173 ( -6.653 -5.949 9.701) 13.182 17.321 ( 2.244 -0.855 4.083) 4.736 18.077 ( -15.270 -4.485 13.415) 20.814 18.526 ( -1.162 -5.813 1.207) 6.049 19.919 ( -5.949 0.482 8.404) 10.308 20.390 ( 16.153 6.282 7.235) 18.781 21.092 ( 24.323 -22.937 10.474) 35.034 24.915 ( -2.604 -4.122 3.686) 6.112 26.265 ( -2.272 0.079 -5.325) 5.790 26.806 ( 3.123 7.793 5.328) 9.943 27.396 ( -12.200 35.958 -19.325) 42.606 ======================= Grid point 241 (114/227) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.002 ( -2.466 0.000 -7.758) 8.141 3.189 ( -3.373 0.000 -0.383) 3.395 4.135 ( 7.421 -0.000 -3.131) 8.054 4.571 ( 2.593 -0.000 0.895) 2.744 4.749 ( -4.717 0.000 -11.696) 12.611 5.586 ( -0.311 0.000 -2.750) 2.768 5.726 ( 5.594 -0.000 6.084) 8.265 5.755 ( 11.370 -0.000 -1.336) 11.448 6.166 ( 12.123 -0.000 -5.605) 13.356 6.297 ( 11.667 -0.000 8.258) 14.294 7.045 ( -12.599 0.000 3.180) 12.994 7.128 ( -3.165 0.000 -2.765) 4.203 7.286 ( -8.475 0.000 -4.995) 9.837 7.847 ( 23.309 -0.000 1.190) 23.340 8.427 ( 3.584 -0.000 17.385) 17.751 9.423 ( 11.773 -0.000 -6.509) 13.453 9.903 ( -1.634 0.000 -0.040) 1.635 10.115 ( 6.429 -0.000 -4.504) 7.850 10.848 ( -4.644 0.000 -13.322) 14.108 10.878 ( -4.965 0.000 19.729) 20.344 11.789 ( -7.013 0.000 6.073) 9.277 12.341 ( 10.542 -0.000 -23.601) 25.849 12.920 ( 4.692 -0.000 1.671) 4.981 13.314 ( -12.336 0.000 15.417) 19.745 13.365 ( -12.554 0.000 -10.320) 16.251 13.753 ( -10.927 0.000 7.120) 13.042 14.314 ( -4.427 0.000 8.197) 9.316 14.525 ( -3.394 0.000 6.995) 7.775 14.530 ( 2.377 -0.000 -9.122) 9.426 14.885 ( 8.365 -0.000 -9.533) 12.683 15.287 ( -2.432 0.000 -0.286) 2.449 15.911 ( -9.055 0.000 -17.126) 19.372 16.535 ( -8.249 0.000 3.228) 8.858 16.724 ( 10.621 -0.000 -1.993) 10.807 16.915 ( -11.412 0.000 16.946) 20.431 17.218 ( 6.338 -0.000 -7.489) 9.811 17.388 ( 8.267 -0.000 -22.451) 23.925 18.363 ( -8.465 0.000 14.789) 17.040 19.854 ( 0.766 -0.000 18.010) 18.026 20.488 ( -3.246 0.000 7.177) 7.877 21.960 ( -20.194 0.000 -6.480) 21.209 24.985 ( 3.130 -0.000 -6.872) 7.551 26.365 ( 5.461 -0.000 4.042) 6.794 26.860 ( 2.405 -0.000 5.101) 5.640 27.571 ( 14.504 -0.000 -5.307) 15.444 ======================= Grid point 242 (115/227) ======================= q-point: (-0.60 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( -6.381 11.049 -10.220) 16.348 3.164 ( -3.736 -3.058 -3.082) 5.727 4.305 ( 9.287 -2.226 -6.166) 11.367 4.500 ( -2.267 8.045 0.199) 8.360 4.723 ( -7.423 -11.590 -5.632) 14.871 5.323 ( -9.224 13.126 9.108) 18.448 5.785 ( -1.615 -1.882 7.274) 7.685 5.954 ( 2.000 2.332 -2.781) 4.144 6.238 ( 13.259 16.484 2.154) 21.264 6.623 ( 1.133 -18.218 2.617) 18.440 6.854 ( -2.647 2.501 0.076) 3.643 7.039 ( -3.767 -6.318 6.409) 9.756 7.415 ( 15.108 -3.236 -8.921) 17.841 8.213 ( 19.285 6.222 -5.155) 20.909 8.472 ( 1.363 -2.170 18.606) 18.782 9.635 ( 11.403 0.749 -10.318) 15.396 9.897 ( 4.279 3.736 -4.974) 7.551 10.199 ( 3.112 1.181 -0.124) 3.331 10.813 ( 0.646 -2.656 -10.333) 10.688 10.856 ( -0.625 -3.184 14.867) 15.217 11.689 ( -4.718 0.034 2.714) 5.443 12.536 ( 8.942 -1.331 -16.787) 19.066 12.993 ( 1.651 3.069 1.541) 3.811 13.055 ( -5.407 6.232 7.561) 11.191 13.188 ( -8.296 -0.129 2.047) 8.546 13.595 ( -11.013 -6.750 4.351) 13.631 14.153 ( -8.727 5.163 6.303) 11.939 14.517 ( -1.709 -5.097 8.055) 9.684 14.594 ( 3.077 -0.513 -16.999) 17.283 14.965 ( -0.302 -2.297 -12.004) 12.225 15.281 ( 2.883 1.477 3.738) 4.946 15.727 ( -10.792 -1.097 -10.474) 15.079 16.396 ( -8.058 -0.651 2.028) 8.335 16.744 ( -8.162 -1.651 16.060) 18.091 16.928 ( 11.640 2.607 -3.279) 12.371 17.310 ( 4.454 0.676 -0.910) 4.597 17.567 ( 10.064 -4.417 -27.981) 30.062 18.205 ( -9.009 0.260 17.740) 19.898 19.913 ( 3.381 -3.923 17.366) 18.122 20.419 ( -4.891 -0.116 5.553) 7.400 21.548 ( -26.623 -0.263 -3.735) 26.885 25.018 ( 2.257 2.625 -5.276) 6.310 26.451 ( 4.001 0.065 4.577) 6.080 26.908 ( 3.466 1.159 3.661) 5.173 27.811 ( 13.190 0.487 -7.167) 15.019 ======================= Grid point 243 (116/227) ======================= q-point: (-0.50 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -6.646 11.658 -11.432) 17.628 3.124 ( -0.844 0.917 -0.662) 1.411 4.338 ( -12.516 1.965 -1.863) 12.806 4.420 ( 5.378 7.302 -1.143) 9.140 4.696 ( -8.100 -8.640 1.558) 11.945 5.127 ( 4.443 13.483 11.481) 18.258 5.632 ( -2.388 18.387 9.004) 20.612 6.004 ( -1.576 -14.402 -1.315) 14.548 6.163 ( -5.859 12.308 4.138) 14.245 6.731 ( -3.758 -19.231 6.417) 20.618 6.928 ( 11.578 6.967 -5.338) 14.529 7.103 ( -0.207 -6.429 8.126) 10.363 7.731 ( 15.272 0.574 -11.349) 19.036 8.301 ( 2.738 7.892 9.925) 12.972 8.619 ( 15.220 4.330 2.678) 16.049 9.745 ( 5.952 8.304 -13.772) 17.148 9.944 ( 2.351 7.360 -2.732) 8.195 10.170 ( 0.345 4.417 -8.311) 9.418 10.920 ( 2.245 -6.954 10.626) 12.897 10.991 ( 10.405 -14.089 0.100) 17.514 11.613 ( -4.565 -0.254 -4.013) 6.083 12.521 ( -11.315 -0.914 6.120) 12.896 12.968 ( 9.777 5.445 -7.512) 13.478 13.063 ( 1.855 2.926 6.283) 7.175 13.178 ( 5.415 -4.243 -4.575) 8.261 13.515 ( -7.639 -9.771 3.129) 12.792 13.957 ( -9.805 0.569 3.268) 10.351 14.550 ( -0.984 -4.721 4.149) 6.361 14.605 ( -1.133 0.864 -18.737) 18.791 14.957 ( -3.917 -5.604 -10.308) 12.369 15.315 ( 2.180 3.094 2.909) 4.774 15.596 ( -5.863 -3.100 -3.456) 7.479 16.275 ( -7.461 -2.233 2.235) 8.102 16.649 ( -7.135 -5.046 15.007) 17.366 17.079 ( 11.159 6.481 -4.806) 13.770 17.358 ( 3.794 3.907 0.895) 5.519 17.788 ( 7.944 -6.497 -24.884) 26.917 18.091 ( -4.850 -3.631 19.165) 20.099 20.053 ( 5.444 -6.937 18.996) 20.943 20.329 ( -4.470 1.068 2.574) 5.268 21.058 ( -29.822 -0.972 -1.417) 29.871 25.009 ( 1.226 4.698 -3.436) 5.948 26.494 ( 1.800 1.821 3.762) 4.551 26.950 ( 3.507 2.895 2.894) 5.390 28.011 ( 10.797 1.201 -9.564) 14.474 ======================= Grid point 244 (117/227) ======================= q-point: (-0.40 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -3.543 10.522 -10.579) 15.336 3.142 ( 4.671 2.351 3.674) 6.391 3.969 ( -17.151 15.767 4.172) 23.668 4.402 ( -0.617 4.427 8.741) 9.817 4.614 ( -4.566 0.699 4.934) 6.758 5.143 ( 7.324 9.500 5.173) 13.063 5.449 ( 3.429 17.082 10.996) 20.602 5.850 ( -13.663 13.272 6.086) 19.997 6.197 ( 2.682 -21.589 -6.569) 22.725 6.862 ( -0.005 -3.603 1.660) 3.967 7.050 ( 9.023 1.137 -1.557) 9.227 7.130 ( -2.866 -3.976 11.696) 12.681 7.851 ( 6.015 10.106 -9.742) 15.271 8.270 ( 0.411 1.961 9.947) 10.146 8.866 ( 19.470 7.636 -3.586) 21.219 9.594 ( -8.725 24.187 -9.317) 27.348 9.752 ( -5.868 5.960 -5.526) 10.024 10.241 ( 8.175 2.815 -10.639) 13.709 11.080 ( 4.721 -10.663 13.717) 18.004 11.415 ( 15.267 -20.062 1.764) 25.272 11.531 ( -4.135 0.022 -9.188) 10.076 12.353 ( -10.114 -7.236 6.819) 14.183 13.029 ( 0.700 1.222 4.258) 4.485 13.170 ( 9.449 -0.505 -9.458) 13.379 13.280 ( -0.435 -3.036 -3.451) 4.617 13.603 ( 8.018 -8.206 1.504) 11.571 13.811 ( -9.689 -5.104 1.034) 11.000 14.513 ( -1.920 3.674 -22.338) 22.719 14.625 ( -1.707 -9.524 8.883) 13.135 14.953 ( -2.802 -5.412 -12.950) 14.312 15.277 ( -2.770 2.432 2.539) 4.476 15.573 ( -1.638 -2.787 1.451) 3.544 16.189 ( -6.250 -4.728 3.155) 8.448 16.593 ( -6.483 -5.854 10.300) 13.505 17.179 ( 7.045 5.132 -3.134) 9.262 17.354 ( 1.570 5.973 3.745) 7.222 17.935 ( 3.948 -4.860 -10.485) 12.213 18.163 ( 4.526 -7.703 8.791) 12.534 20.197 ( -1.061 -4.672 18.947) 19.543 20.302 ( 5.937 -1.197 2.881) 6.706 20.560 ( -26.588 -0.090 0.447) 26.592 24.971 ( 0.742 5.301 -2.382) 5.858 26.475 ( -0.617 3.910 2.217) 4.537 26.967 ( 2.712 4.302 3.286) 6.055 28.144 ( 6.412 2.657 -13.122) 14.845 ======================= Grid point 245 (118/227) ======================= q-point: (-0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( 0.102 9.288 -7.534) 11.960 3.205 ( 5.287 6.625 10.058) 13.153 3.522 ( -7.144 23.004 10.833) 26.412 4.305 ( -6.095 0.560 19.727) 20.655 4.568 ( 4.239 8.659 -1.699) 9.790 5.143 ( 1.865 6.378 -3.382) 7.456 5.368 ( -1.618 15.138 17.152) 22.934 5.490 ( -3.305 13.337 3.539) 14.189 6.491 ( 5.428 -14.175 -6.820) 16.640 6.763 ( -0.454 15.854 -5.918) 16.929 7.066 ( -3.682 1.500 10.525) 11.250 7.231 ( 2.972 -9.424 2.749) 10.257 7.796 ( 0.468 9.789 -2.296) 10.065 8.264 ( -1.695 -0.567 4.774) 5.098 9.079 ( 7.496 12.846 -14.592) 20.836 9.144 ( -8.358 9.929 3.050) 13.332 9.605 ( -1.810 10.354 -8.658) 13.618 10.334 ( 6.991 3.785 -8.599) 11.711 11.252 ( -0.670 -10.877 14.835) 18.407 11.484 ( 1.057 -0.292 -9.091) 9.157 11.861 ( 9.221 -19.240 3.365) 21.599 12.358 ( 0.530 -10.208 -0.322) 10.227 12.999 ( -4.936 -0.899 -0.910) 5.099 13.190 ( -5.150 -3.922 -5.050) 8.211 13.388 ( 5.917 -1.952 -2.760) 6.815 13.723 ( -6.503 -7.049 0.342) 9.597 13.844 ( 8.041 -4.474 1.152) 9.273 14.496 ( 4.573 1.069 -18.784) 19.362 14.711 ( -3.335 -13.545 6.250) 15.285 14.994 ( 4.429 -3.551 -15.269) 16.290 15.187 ( -5.228 1.250 2.821) 6.070 15.562 ( -2.427 -1.007 2.254) 3.462 16.174 ( -3.101 -9.113 4.952) 10.825 16.541 ( -6.195 -5.143 3.450) 8.760 17.181 ( -4.782 -0.247 4.276) 6.420 17.332 ( 4.201 5.726 3.216) 7.796 18.046 ( 2.605 -3.161 -4.636) 6.186 18.324 ( 3.208 -7.417 6.229) 10.203 20.111 ( -15.236 -1.083 9.318) 17.893 20.278 ( 5.817 2.992 1.230) 6.656 20.505 ( 9.166 -5.272 14.783) 18.176 24.933 ( 0.913 4.344 -1.939) 4.843 26.399 ( -2.441 4.945 -0.027) 5.515 26.959 ( 1.748 4.803 4.692) 6.938 28.144 ( -1.274 7.046 -17.066) 18.507 ======================= Grid point 246 (119/227) ======================= q-point: (-0.20 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.493 9.783 0.449) 9.806 3.075 ( -2.124 17.951 20.155) 27.073 3.424 ( 15.794 15.295 14.245) 26.198 4.272 ( 3.341 -0.473 12.742) 13.181 4.536 ( 2.184 10.277 -3.939) 11.220 4.977 ( -13.303 8.666 4.989) 16.642 5.146 ( 0.510 8.808 3.013) 9.323 5.524 ( 12.707 10.804 5.647) 17.609 6.416 ( 2.623 31.857 -5.771) 32.482 6.620 ( -7.046 8.783 -6.082) 12.798 7.144 ( 6.040 -13.502 2.121) 14.943 7.307 ( -3.263 -5.420 6.848) 9.323 7.648 ( -7.861 5.564 2.159) 9.870 8.209 ( -4.813 -1.298 -0.294) 4.994 8.839 ( -1.884 10.029 -1.130) 10.267 9.185 ( -1.590 -1.003 -6.752) 7.009 9.520 ( 4.864 8.340 -9.163) 13.310 10.410 ( 4.392 1.959 -9.419) 10.575 11.267 ( -5.700 -6.056 4.838) 9.621 11.553 ( 2.189 -3.270 2.477) 4.649 12.093 ( -2.074 -14.965 1.372) 15.171 12.547 ( 7.498 -7.775 2.571) 11.103 12.860 ( -8.996 1.717 -6.638) 11.311 13.205 ( -0.909 -9.877 -1.823) 10.085 13.393 ( -8.003 -4.220 -5.359) 10.515 13.756 ( 3.621 -3.196 1.149) 4.964 13.957 ( 2.519 -1.809 5.021) 5.902 14.614 ( 5.821 -1.417 -12.999) 14.313 14.750 ( -5.233 -10.451 -2.567) 11.966 15.078 ( -5.815 0.849 1.386) 6.037 15.221 ( 14.607 -5.429 -14.187) 21.074 15.503 ( -4.072 1.075 -0.204) 4.217 16.295 ( 2.378 -15.791 6.564) 17.265 16.497 ( -3.754 -4.270 -2.779) 6.328 17.064 ( -10.213 -4.433 9.269) 14.487 17.354 ( 2.660 3.700 2.027) 4.988 18.030 ( -7.307 -0.709 4.851) 8.799 18.407 ( -0.526 -5.183 1.356) 5.383 19.922 ( -6.579 -0.372 10.499) 12.395 20.508 ( 18.853 4.649 2.986) 19.646 20.766 ( 15.771 -10.138 13.403) 23.046 24.914 ( 0.999 2.869 -1.048) 3.213 26.303 ( -2.842 3.789 -3.103) 5.663 26.936 ( 1.254 4.611 6.251) 7.868 27.923 ( -9.970 16.274 -17.994) 26.230 ======================= Grid point 247 (120/227) ======================= q-point: (-0.10 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 7.960 -0.793 10.347) 13.078 2.885 ( 4.705 21.112 25.093) 33.129 3.644 ( 22.916 11.570 8.566) 27.063 4.337 ( -4.932 1.807 -7.624) 9.258 4.475 ( 7.800 7.363 7.921) 13.334 4.728 ( -1.567 7.110 10.291) 12.606 5.096 ( 3.772 9.127 -0.130) 9.876 5.586 ( 3.477 9.480 0.233) 10.100 6.177 ( 11.306 31.091 -9.590) 34.445 6.372 ( -4.594 12.431 -1.380) 13.324 7.193 ( -5.907 4.061 10.070) 12.361 7.411 ( -0.855 -8.204 4.144) 9.231 7.499 ( -3.806 -7.784 -2.239) 8.950 8.134 ( -3.318 3.381 -3.764) 6.051 8.752 ( -3.167 2.991 6.538) 7.857 9.149 ( -1.264 -2.347 -13.816) 14.070 9.573 ( 4.849 0.254 -5.439) 7.291 10.379 ( -6.069 3.102 -9.767) 11.910 11.223 ( -5.350 -4.009 1.239) 6.799 11.589 ( -1.221 -1.864 6.270) 6.655 12.137 ( -6.961 -9.752 -0.662) 12.000 12.606 ( -5.744 3.900 2.427) 7.355 12.796 ( 1.055 -7.565 -2.191) 7.947 13.220 ( -13.254 -10.270 -6.034) 17.820 13.410 ( 8.282 -8.596 -1.900) 12.087 13.850 ( 1.057 -3.584 0.615) 3.787 14.041 ( 8.189 0.381 7.306) 10.981 14.597 ( -7.994 -1.987 -6.731) 10.638 14.838 ( 4.156 -5.601 -6.794) 9.737 14.970 ( -5.439 1.194 -1.221) 5.701 15.326 ( -8.949 -0.930 1.674) 9.151 15.583 ( 15.671 1.142 -20.271) 25.648 16.516 ( 1.404 -6.329 -4.401) 7.836 16.561 ( 5.987 -15.919 0.960) 17.035 16.944 ( -10.710 -7.896 10.401) 16.889 17.328 ( -2.572 1.758 2.234) 3.834 17.849 ( -9.267 5.016 12.418) 16.287 18.446 ( -1.112 -5.826 -1.689) 6.167 19.867 ( -0.998 -0.183 12.329) 12.371 20.663 ( 6.801 6.594 13.641) 16.608 21.348 ( 28.673 -18.426 -2.186) 34.153 24.897 ( 0.091 2.627 0.647) 2.707 26.238 ( -1.465 0.872 -6.591) 6.808 26.914 ( 1.689 4.713 6.220) 7.985 27.500 ( -11.308 24.742 -11.847) 29.671 ======================= Grid point 252 (121/227) ======================= q-point: ( 0.40 -0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -9.196 0.000 -13.141) 16.039 3.127 ( 0.228 -0.000 -3.456) 3.463 4.335 ( -7.699 0.000 -6.592) 10.135 4.506 ( -5.751 0.000 11.385) 12.755 4.594 ( 6.952 -0.000 -7.857) 10.491 5.302 ( -1.060 0.000 5.339) 5.444 5.745 ( -0.522 0.000 12.679) 12.690 6.015 ( -0.832 0.000 3.737) 3.828 6.354 ( -4.969 0.000 -0.552) 5.000 6.362 ( -12.040 0.000 11.410) 16.588 6.985 ( -0.458 0.000 11.493) 11.502 7.060 ( 17.283 -0.000 -10.158) 20.047 7.714 ( 19.875 -0.000 -12.635) 23.552 8.401 ( -5.196 0.000 21.616) 22.231 8.679 ( 25.253 -0.000 -8.397) 26.612 9.805 ( 7.316 -0.000 -9.829) 12.253 10.027 ( 8.240 -0.000 -8.934) 12.154 10.237 ( -0.891 0.000 -0.346) 0.956 10.835 ( 4.967 -0.000 -9.549) 10.764 10.844 ( 1.045 -0.000 14.409) 14.447 11.610 ( -4.342 0.000 -3.337) 5.476 12.520 ( -11.972 0.000 5.714) 13.265 13.075 ( 9.071 -0.000 -6.852) 11.368 13.084 ( 4.880 -0.000 -4.470) 6.618 13.131 ( -0.268 0.000 7.689) 7.693 13.371 ( -8.854 0.000 4.768) 10.057 13.964 ( -14.168 0.000 5.809) 15.312 14.471 ( -0.833 0.000 7.507) 7.553 14.647 ( 1.954 -0.000 -26.105) 26.178 14.886 ( -5.157 0.000 -10.484) 11.684 15.355 ( 2.891 -0.000 4.769) 5.577 15.555 ( -7.158 0.000 -4.503) 8.457 16.249 ( -8.277 0.000 3.795) 9.106 16.594 ( -6.476 0.000 14.334) 15.729 17.167 ( 10.920 -0.000 -4.191) 11.697 17.405 ( 5.931 -0.000 0.453) 5.948 17.710 ( 10.077 -0.000 -28.435) 30.168 18.043 ( -8.893 0.000 21.207) 22.996 19.976 ( 5.493 -0.000 17.763) 18.593 20.341 ( -3.643 0.000 2.198) 4.255 21.050 ( -29.410 0.000 -1.456) 29.446 25.063 ( 1.249 -0.000 -3.869) 4.066 26.512 ( 2.574 -0.000 6.685) 7.164 26.981 ( 3.787 -0.000 1.423) 4.046 28.020 ( 10.547 -0.000 -9.043) 13.892 ======================= Grid point 254 (122/227) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -5.183 5.786 -12.430) 14.657 3.155 ( 3.358 -0.182 -2.852) 4.409 4.130 ( -12.918 1.999 -2.622) 13.332 4.405 ( -6.873 -1.583 17.976) 19.310 4.723 ( 8.152 5.720 -5.894) 11.572 5.313 ( 5.165 6.635 2.582) 8.796 5.757 ( -2.445 -6.459 7.301) 10.050 5.895 ( 0.314 12.096 6.211) 13.601 6.085 ( -11.585 7.700 6.277) 15.261 6.491 ( 2.451 -19.821 6.969) 21.153 6.985 ( -3.743 -6.276 15.053) 16.733 7.281 ( 12.716 8.523 -9.598) 18.068 8.012 ( 14.082 3.950 -15.716) 21.469 8.306 ( -4.235 0.747 18.512) 19.005 9.049 ( 20.254 7.037 -6.945) 22.539 9.849 ( -3.577 3.146 -2.556) 5.406 10.035 ( -2.741 16.431 -8.090) 18.519 10.236 ( 5.778 -3.989 -10.893) 12.960 10.923 ( 5.960 -3.277 11.261) 13.156 11.050 ( 12.609 -12.657 -2.846) 18.091 11.539 ( -3.632 -0.034 -8.780) 9.502 12.244 ( -17.166 -2.270 11.998) 21.066 13.072 ( -4.187 3.461 5.801) 7.948 13.166 ( -1.619 -3.564 -3.010) 4.938 13.209 ( 7.632 -0.695 -3.326) 8.354 13.456 ( 14.372 -4.923 -1.780) 15.296 13.725 ( -13.733 -2.371 3.438) 14.354 14.465 ( -3.266 -4.476 7.934) 9.677 14.618 ( -0.933 5.080 -29.443) 29.893 14.837 ( -2.579 -5.059 -10.832) 12.230 15.341 ( -2.744 2.981 5.753) 7.037 15.502 ( -1.389 -3.238 0.491) 3.557 16.116 ( -8.108 -1.974 5.404) 9.942 16.519 ( -3.903 -1.591 8.419) 9.415 17.267 ( 1.639 2.458 -1.282) 3.220 17.486 ( 5.075 5.094 1.736) 7.397 17.878 ( 7.751 -0.067 -16.546) 18.272 17.992 ( 1.333 -7.409 12.019) 14.182 20.084 ( 2.922 -3.523 20.665) 21.166 20.321 ( 3.026 0.946 -2.255) 3.891 20.565 ( -24.504 0.266 0.418) 24.509 25.062 ( 0.439 2.633 -2.511) 3.665 26.533 ( 0.468 1.521 6.705) 6.891 27.028 ( 2.325 1.544 0.437) 2.825 28.167 ( 6.455 0.219 -10.630) 12.438 ======================= Grid point 255 (123/227) ======================= q-point: (-0.40 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 0.603 8.655 -10.999) 14.009 3.254 ( 7.352 -0.416 -1.054) 7.439 3.864 ( -10.267 8.867 2.075) 13.724 4.307 ( -5.385 -0.136 22.212) 22.856 4.752 ( 4.744 9.092 -4.674) 11.270 5.293 ( 2.073 8.400 -2.477) 9.000 5.659 ( -10.720 9.605 8.949) 16.949 5.786 ( 2.193 15.114 9.915) 18.209 6.071 ( 8.018 -17.343 -2.165) 19.229 6.737 ( 2.631 -14.679 3.420) 15.300 6.987 ( -5.025 -8.520 17.233) 19.870 7.339 ( 7.513 12.778 -5.901) 15.955 8.071 ( 4.220 14.193 -10.329) 18.053 8.264 ( -1.750 -1.241 12.174) 12.362 9.204 ( 1.488 4.672 -6.475) 8.122 9.506 ( -14.430 16.407 -3.370) 22.109 9.892 ( 4.934 17.420 -7.977) 19.785 10.382 ( 6.376 -0.673 -8.512) 10.656 11.090 ( 6.741 -4.089 10.723) 13.310 11.453 ( 11.190 -18.627 0.388) 21.733 11.487 ( -1.589 0.174 -9.890) 10.018 12.093 ( -6.367 -12.808 4.809) 15.090 12.970 ( -6.035 -1.370 2.284) 6.596 13.112 ( -7.593 -4.211 0.468) 8.695 13.366 ( 5.468 0.506 -4.814) 7.302 13.571 ( -6.359 -6.991 1.491) 9.567 13.765 ( 13.052 -2.669 0.642) 13.337 14.450 ( -6.543 -10.069 7.892) 14.369 14.574 ( 4.654 5.680 -24.763) 25.829 14.892 ( 2.941 -5.925 -13.547) 15.076 15.236 ( -5.099 3.073 6.003) 8.454 15.525 ( -0.461 -2.476 0.628) 2.596 16.020 ( -6.775 -5.300 6.495) 10.779 16.478 ( -2.986 -1.449 2.450) 4.125 17.177 ( -9.591 -0.146 5.983) 11.305 17.484 ( 3.572 7.839 1.563) 8.755 18.006 ( 5.931 -0.738 -4.946) 7.758 18.160 ( 5.460 -7.956 0.681) 9.674 20.066 ( -11.871 -2.688 14.289) 18.771 20.312 ( 3.241 0.451 3.561) 4.836 20.454 ( 9.895 -0.164 2.551) 10.220 25.031 ( 0.437 4.184 -2.133) 4.717 26.496 ( -1.720 3.767 4.888) 6.406 27.030 ( 0.170 2.192 1.555) 2.693 28.222 ( 0.609 1.487 -12.351) 12.455 ======================= Grid point 256 (124/227) ======================= q-point: (-0.30 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( 2.343 11.183 -7.973) 13.933 3.356 ( 4.947 7.563 4.837) 10.250 3.679 ( 3.753 8.196 4.464) 10.060 4.257 ( 0.620 0.816 17.802) 17.832 4.713 ( 0.314 6.666 -4.677) 8.149 5.188 ( -8.648 11.111 -3.725) 14.564 5.353 ( -1.394 11.664 5.869) 13.131 5.768 ( 8.695 11.845 8.327) 16.889 6.432 ( 9.329 -16.684 -0.056) 19.115 6.819 ( -3.833 -1.924 -4.522) 6.233 7.007 ( 0.394 -3.953 13.723) 14.286 7.304 ( 2.178 9.095 -1.484) 9.470 7.894 ( -5.898 16.792 -0.514) 17.805 8.224 ( -3.518 1.885 3.885) 5.570 8.919 ( -19.904 -2.413 4.825) 20.622 9.305 ( 1.265 12.962 -10.898) 16.982 9.806 ( 6.371 17.607 -7.558) 20.192 10.453 ( 2.857 2.027 -7.358) 8.149 11.188 ( 1.392 -0.516 8.292) 8.424 11.491 ( 0.715 -2.669 -4.614) 5.378 11.739 ( 0.622 -17.949 1.096) 17.993 12.293 ( 7.201 -17.033 -3.333) 18.791 12.872 ( -7.621 -1.051 -0.690) 7.724 13.026 ( -7.596 -6.573 1.555) 10.164 13.324 ( -6.163 -1.702 -4.464) 7.798 13.659 ( 3.595 -5.490 -0.123) 6.563 13.928 ( 5.080 -0.487 3.837) 6.385 14.459 ( -6.831 -13.482 3.565) 15.528 14.676 ( 11.729 3.834 -14.542) 19.072 15.078 ( 8.676 -6.448 -12.961) 16.877 15.125 ( -1.735 2.055 1.531) 3.095 15.516 ( -2.026 -0.056 -1.931) 2.799 16.017 ( -2.511 -10.735 7.660) 13.425 16.445 ( -2.219 -1.203 -2.004) 3.223 16.988 ( -12.999 -2.918 9.418) 16.315 17.455 ( 0.590 5.470 1.390) 5.674 18.040 ( -1.491 1.658 -3.094) 3.814 18.305 ( 3.027 -4.937 1.884) 6.090 19.901 ( -7.213 -1.504 12.168) 14.226 20.562 ( 22.603 -0.559 0.742) 22.622 20.640 ( 9.713 -1.511 9.338) 13.558 24.998 ( 1.121 4.525 -2.386) 5.237 26.404 ( -3.296 5.207 1.427) 6.326 26.998 ( -1.268 1.621 4.262) 4.733 28.135 ( -6.533 5.617 -13.311) 15.856 ======================= Grid point 257 (125/227) ======================= q-point: (-0.20 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 2.018 11.413 -0.594) 11.605 3.280 ( 3.895 16.035 12.775) 20.869 3.837 ( 17.602 4.053 0.638) 18.074 4.309 ( 1.961 -0.912 1.547) 2.659 4.626 ( -2.476 6.090 2.843) 7.162 4.889 ( -5.052 9.630 2.687) 11.202 5.324 ( 7.597 12.621 -1.697) 14.828 5.797 ( 6.402 10.250 2.205) 12.285 6.564 ( -7.084 5.877 1.274) 9.292 6.688 ( -0.286 9.167 -5.381) 10.633 7.160 ( 8.417 -9.439 4.122) 13.302 7.236 ( -1.729 2.577 2.143) 3.772 7.563 ( -11.298 11.526 4.766) 16.829 8.155 ( -1.612 0.896 0.177) 1.853 8.724 ( -12.702 -9.445 10.897) 19.218 9.182 ( -1.981 7.249 -10.862) 13.209 9.744 ( 5.887 14.899 -7.069) 17.510 10.421 ( -5.029 1.879 -8.234) 9.829 11.183 ( -1.255 0.964 3.764) 4.083 11.535 ( 0.205 -3.651 -1.015) 3.795 11.882 ( -3.413 -13.986 1.913) 14.523 12.552 ( 4.186 -11.395 3.839) 12.732 12.729 ( -7.689 1.083 -10.324) 12.918 12.962 ( -11.976 -10.970 3.895) 16.702 13.306 ( 3.941 -2.662 -6.582) 8.120 13.728 ( -2.996 -6.829 1.285) 7.568 14.038 ( 8.440 -0.397 5.437) 10.048 14.473 ( -5.984 -9.460 -1.812) 11.339 14.829 ( 8.976 3.106 -5.680) 11.067 15.015 ( -3.341 3.124 -1.494) 4.812 15.289 ( -2.326 -2.366 -0.271) 3.329 15.563 ( 12.343 -2.605 -18.883) 22.709 16.175 ( 4.036 -16.881 7.830) 19.041 16.447 ( 0.830 -3.078 -4.395) 5.429 16.810 ( -12.143 -5.152 8.909) 15.917 17.384 ( -3.500 3.139 1.795) 5.032 17.957 ( -2.852 5.311 3.151) 6.802 18.366 ( 0.102 -2.127 -0.483) 2.183 19.850 ( -1.377 -1.576 13.275) 13.439 20.765 ( 6.600 3.040 11.068) 13.240 21.089 ( 29.222 -7.576 -1.355) 30.219 24.975 ( 1.464 4.530 -2.003) 5.165 26.292 ( -3.339 4.173 -3.091) 6.174 26.965 ( -1.007 0.528 6.694) 6.790 27.876 ( -11.710 12.183 -11.619) 20.508 ======================= Grid point 258 (126/227) ======================= q-point: (-0.10 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 4.949 1.152 7.041) 8.683 3.222 ( 8.422 15.317 11.142) 20.729 4.093 ( 14.053 10.365 -4.756) 18.098 4.255 ( -3.647 -2.384 -10.191) 11.084 4.517 ( -1.949 3.928 9.898) 10.826 4.975 ( 17.478 0.820 4.599) 18.092 5.305 ( 7.146 15.802 -1.640) 17.420 5.754 ( 3.332 12.961 -1.936) 13.522 6.225 ( -15.541 9.076 -12.101) 21.686 6.669 ( 8.363 11.342 3.662) 14.560 7.096 ( -7.921 1.782 8.532) 11.778 7.341 ( -5.951 1.845 1.383) 6.382 7.497 ( 13.875 -6.802 1.287) 15.506 8.120 ( -2.041 2.375 1.347) 3.409 8.603 ( -11.478 -6.532 10.354) 16.781 9.107 ( -2.694 -1.383 -11.610) 11.998 9.703 ( 3.873 9.178 -4.028) 10.745 10.233 ( -11.920 3.139 -5.721) 13.589 11.130 ( -3.619 1.049 0.015) 3.768 11.561 ( -0.555 -0.529 2.081) 2.218 11.897 ( -8.572 -9.280 5.433) 13.752 12.565 ( -4.500 4.882 -10.277) 12.235 12.713 ( -0.980 -7.707 7.352) 10.696 12.874 ( -8.972 -14.465 -5.349) 17.842 13.501 ( 10.743 -7.249 -4.149) 13.608 13.717 ( -6.674 -7.888 2.597) 10.653 14.231 ( 11.822 -1.128 4.870) 12.835 14.433 ( -5.920 -2.972 -2.793) 7.189 14.878 ( -2.174 0.342 2.963) 3.691 14.940 ( -0.090 6.316 -8.361) 10.479 15.177 ( -6.258 0.129 -0.113) 6.261 15.827 ( 11.872 -0.723 -21.133) 24.250 16.476 ( 7.487 -18.014 5.454) 20.256 16.553 ( 6.273 -5.670 -7.290) 11.164 16.675 ( -10.608 -6.369 7.542) 14.490 17.290 ( -3.317 2.301 1.561) 4.328 17.840 ( -2.445 9.439 8.312) 12.812 18.372 ( -1.841 -2.927 -2.099) 4.045 19.874 ( 1.949 -0.944 15.061) 15.216 20.794 ( 1.578 5.261 12.556) 13.704 21.659 ( 23.227 -10.490 -5.398) 26.051 24.944 ( 0.493 4.919 -0.650) 4.987 26.223 ( -1.165 0.574 -7.101) 7.219 26.964 ( 1.062 0.063 6.262) 6.352 27.516 ( -10.756 16.172 -6.041) 20.340 ======================= Grid point 264 (127/227) ======================= q-point: (-0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 0.444 -0.000 -12.149) 12.157 3.241 ( 7.238 0.000 -3.971) 8.256 3.937 ( -10.453 -0.000 -0.773) 10.481 4.306 ( -3.559 0.000 22.796) 23.072 4.862 ( 1.916 -0.000 -5.564) 5.885 5.471 ( 5.167 -0.000 -2.859) 5.905 5.610 ( -2.268 -0.000 -2.611) 3.458 5.952 ( -5.691 0.000 5.258) 7.748 6.023 ( 1.670 0.000 13.736) 13.837 6.513 ( 10.580 -0.000 6.553) 12.445 6.858 ( -6.075 -0.000 20.882) 21.747 7.491 ( 6.376 -0.000 -7.048) 9.504 8.202 ( 0.673 0.000 -2.974) 3.050 8.271 ( 3.074 -0.000 0.420) 3.103 9.257 ( -5.782 -0.000 -6.725) 8.869 9.698 ( -9.605 -0.000 2.001) 9.811 10.227 ( 0.603 -0.000 -4.473) 4.514 10.258 ( 11.300 0.000 -11.631) 16.216 11.086 ( 12.064 -0.000 11.824) 16.892 11.194 ( 12.828 -0.000 -9.429) 15.921 11.485 ( -2.026 0.000 -10.893) 11.080 11.945 ( -13.649 -0.000 10.979) 17.517 12.957 ( -8.912 -0.000 0.421) 8.922 13.052 ( -5.622 -0.000 7.578) 9.435 13.392 ( 10.526 0.000 -3.661) 11.145 13.475 ( -10.988 -0.000 -0.215) 10.990 13.738 ( 15.219 -0.000 0.674) 15.234 14.341 ( -8.213 0.000 7.725) 11.276 14.672 ( 5.424 0.000 -36.300) 36.703 14.794 ( 1.658 -0.000 -3.872) 4.212 15.279 ( -5.804 0.000 7.527) 9.505 15.488 ( 1.253 -0.000 -0.486) 1.344 15.965 ( -7.884 -0.000 6.986) 10.533 16.465 ( -2.041 -0.000 1.762) 2.696 17.175 ( -11.314 -0.000 6.453) 13.025 17.586 ( 1.564 0.000 1.262) 2.010 18.011 ( 7.543 -0.000 16.630) 18.261 18.048 ( 7.684 0.000 -22.681) 23.947 20.032 ( -9.312 -0.000 15.271) 17.886 20.315 ( 1.230 -0.000 3.953) 4.140 20.459 ( 9.899 -0.000 -0.666) 9.921 25.078 ( 0.108 -0.000 -2.082) 2.085 26.537 ( -1.264 -0.000 7.611) 7.716 27.052 ( -0.564 -0.000 -0.596) 0.821 28.234 ( 1.199 -0.000 -10.683) 10.750 ======================= Grid point 266 (128/227) ======================= q-point: (-0.40 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.575 ( 4.262 5.549 -11.814) 13.730 3.408 ( 11.111 -0.352 -4.132) 11.860 3.773 ( -6.605 1.654 1.715) 7.022 4.292 ( 2.501 1.490 22.373) 22.562 4.792 ( -6.905 1.156 -7.164) 10.017 5.400 ( -6.117 8.007 -4.677) 11.108 5.613 ( 4.218 10.167 -0.780) 11.035 5.953 ( 3.779 2.650 5.358) 7.072 6.141 ( 12.937 -6.491 6.491) 15.863 6.667 ( -0.683 -6.745 1.937) 7.051 6.862 ( 3.163 -7.157 23.542) 24.808 7.508 ( 0.295 7.093 -2.811) 7.635 8.161 ( -4.850 1.487 -2.577) 5.690 8.255 ( -1.820 5.418 0.920) 5.789 8.877 ( -30.612 -0.793 -4.890) 31.010 9.584 ( -1.142 10.325 -2.007) 10.581 10.125 ( -1.177 9.789 -2.654) 10.211 10.470 ( 7.157 -0.463 -6.174) 9.463 11.263 ( 10.700 6.904 4.045) 13.361 11.425 ( 4.284 -9.742 -2.268) 10.881 11.464 ( -0.512 -0.316 -8.992) 9.012 11.907 ( 2.269 -16.285 -1.178) 16.485 12.833 ( -6.393 -1.613 3.764) 7.592 12.945 ( -7.698 -1.662 5.569) 9.645 13.322 ( -5.293 0.827 -1.447) 5.549 13.559 ( 4.976 -3.377 -3.297) 6.858 13.935 ( 7.468 0.815 3.362) 8.230 14.226 ( -7.421 -7.087 7.771) 12.872 14.788 ( 10.819 6.417 -15.565) 20.013 14.931 ( 10.958 -7.117 -18.365) 22.539 15.178 ( -3.957 1.878 4.046) 5.963 15.506 ( -0.421 -0.522 -2.430) 2.521 15.860 ( -5.948 -4.079 8.244) 10.953 16.434 ( -1.759 -0.082 -2.337) 2.926 16.946 ( -14.503 -1.077 9.675) 17.467 17.548 ( -3.298 2.750 1.904) 4.697 18.095 ( 2.457 3.404 -10.363) 11.181 18.202 ( 7.057 -4.729 5.129) 9.923 19.872 ( -7.477 -0.954 12.772) 14.830 20.525 ( 19.102 -1.268 4.246) 19.609 20.651 ( 12.222 0.761 2.023) 12.411 25.072 ( 0.744 2.103 -2.728) 3.524 26.489 ( -3.031 2.408 6.335) 7.424 27.014 ( -3.320 0.207 0.772) 3.415 28.198 ( -4.662 1.175 -10.457) 11.509 ======================= Grid point 267 (129/227) ======================= q-point: (-0.30 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 2.803 11.352 -8.664) 14.553 3.525 ( 3.044 7.373 3.309) 8.636 3.785 ( 8.718 -5.997 -4.115) 11.354 4.360 ( 6.794 4.416 12.493) 14.890 4.675 ( -5.081 -1.589 -3.591) 6.422 5.121 ( -10.307 11.242 -3.209) 15.586 5.635 ( 13.183 16.798 -0.781) 21.367 5.977 ( 5.019 6.523 1.724) 8.409 6.488 ( 12.137 -9.722 6.439) 16.831 6.672 ( -6.065 -5.526 -0.814) 8.245 7.025 ( 6.253 -5.040 13.371) 15.598 7.374 ( -5.257 8.154 -0.466) 9.712 7.873 ( -15.667 15.073 -4.192) 22.140 8.185 ( -4.700 0.681 3.240) 5.749 8.452 ( -22.065 -13.588 3.544) 26.155 9.399 ( -5.480 12.480 -2.758) 13.906 10.012 ( -2.669 6.333 -2.421) 7.286 10.495 ( -0.776 5.357 -6.092) 8.150 11.290 ( 3.566 9.758 -1.365) 10.478 11.450 ( -0.495 -3.397 -5.413) 6.410 11.620 ( 4.384 -9.626 3.448) 11.125 12.203 ( 4.715 -20.613 -10.405) 23.567 12.740 ( -6.071 -0.178 5.142) 7.958 12.833 ( -7.863 -2.438 5.864) 10.107 13.286 ( 2.644 0.512 -3.062) 4.077 13.608 ( -3.280 -4.323 -1.282) 5.576 14.035 ( 6.979 0.501 4.542) 8.342 14.255 ( -1.299 -10.382 3.002) 10.885 14.896 ( 6.492 2.524 -0.045) 6.966 15.091 ( 0.838 4.034 -5.958) 7.244 15.245 ( 9.312 -1.885 -9.577) 13.490 15.503 ( 3.734 -2.403 -13.195) 13.923 15.878 ( -0.433 -11.304 8.702) 14.272 16.408 ( -1.218 -0.790 -4.138) 4.385 16.729 ( -12.363 -2.752 8.963) 15.517 17.441 ( -5.557 2.096 2.223) 6.341 18.063 ( -0.121 4.609 -9.069) 10.174 18.337 ( 4.350 -1.030 6.748) 8.095 19.809 ( -2.082 -2.000 13.679) 13.980 20.793 ( 7.908 0.090 7.548) 10.932 21.000 ( 27.883 -1.795 -1.244) 27.969 25.065 ( 1.979 3.653 -3.757) 5.602 26.388 ( -4.320 4.371 2.643) 6.690 26.950 ( -4.207 -1.456 4.189) 6.113 28.038 ( -10.105 4.347 -9.581) 14.588 ======================= Grid point 268 (130/227) ======================= q-point: (-0.20 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( 0.660 12.472 -1.506) 12.580 3.467 ( 1.215 7.997 5.876) 9.998 4.054 ( 8.087 -9.657 -9.548) 15.806 4.374 ( 4.495 9.473 -7.477) 12.878 4.601 ( -4.909 4.094 8.864) 10.928 5.016 ( 10.999 3.293 -0.640) 11.499 5.677 ( 12.082 19.097 0.530) 22.604 5.985 ( 4.380 8.771 -3.591) 10.441 6.418 ( -17.812 8.539 -6.063) 20.663 6.746 ( 5.922 -2.893 5.982) 8.900 7.096 ( -5.808 -2.548 5.869) 8.642 7.327 ( 5.821 -0.883 -2.840) 6.537 7.514 ( -5.427 7.457 4.733) 10.366 8.107 ( -4.832 -4.304 -0.911) 6.535 8.325 ( -14.007 -16.710 11.638) 24.715 9.176 ( -8.019 6.855 -3.696) 11.178 9.880 ( -7.028 3.341 -0.521) 7.799 10.360 ( -4.805 8.970 -6.657) 12.160 11.222 ( -0.014 8.627 -4.405) 9.686 11.504 ( 1.743 -4.344 -7.584) 8.912 11.731 ( -1.955 -5.604 13.540) 14.784 12.444 ( 1.170 -16.963 -12.434) 21.064 12.635 ( -4.398 1.684 4.881) 6.783 12.718 ( -6.872 -1.477 3.094) 7.680 13.401 ( 8.372 -2.282 -2.161) 8.942 13.582 ( -3.781 -4.562 -2.560) 6.455 14.193 ( 9.251 -2.425 3.363) 10.137 14.333 ( -0.206 -5.924 1.290) 6.066 14.913 ( -2.175 1.895 5.894) 6.562 15.083 ( 2.580 7.092 -8.777) 11.575 15.195 ( -5.872 2.153 1.166) 6.362 15.764 ( 13.909 -4.838 -23.167) 27.451 16.094 ( 6.921 -17.818 7.213) 20.431 16.434 ( 1.386 -4.773 -5.215) 7.204 16.587 ( -6.665 -2.836 6.361) 9.640 17.332 ( -4.259 1.700 2.033) 5.016 18.007 ( 0.083 6.314 -2.978) 6.981 18.372 ( 0.656 2.409 3.685) 4.452 19.835 ( 1.682 -2.652 15.250) 15.570 20.871 ( 2.392 2.291 9.771) 10.317 21.512 ( 25.346 -4.324 -3.980) 26.018 25.058 ( 2.251 5.532 -3.469) 6.907 26.268 ( -3.951 3.558 -2.584) 5.911 26.918 ( -2.394 -3.891 7.084) 8.430 27.766 ( -12.814 8.171 -7.163) 16.801 ======================= Grid point 269 (131/227) ======================= q-point: (-0.10 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 0.293 4.608 5.137) 6.907 3.412 ( 0.332 5.778 3.312) 6.668 4.125 ( -5.370 -5.181 -9.893) 12.392 4.321 ( -1.168 9.209 -3.376) 9.878 4.659 ( 16.285 0.630 -2.530) 16.492 5.222 ( 9.138 5.179 0.949) 10.547 5.696 ( 13.595 14.506 7.100) 21.111 5.903 ( -9.775 7.890 -12.226) 17.529 6.031 ( -4.227 8.899 -6.107) 11.591 6.814 ( 1.631 2.899 2.415) 4.111 6.984 ( -6.556 2.076 4.169) 8.041 7.295 ( -1.200 1.262 1.633) 2.388 7.659 ( 9.199 -6.297 -1.743) 11.283 8.087 ( -1.964 -2.866 6.729) 7.573 8.302 ( -7.832 -14.954 9.589) 19.415 8.986 ( -9.377 -1.106 -7.359) 11.971 9.713 ( -9.835 -1.657 3.249) 10.490 10.191 ( -1.281 11.362 -5.753) 12.800 11.119 ( -1.716 7.552 -7.314) 10.653 11.557 ( -1.118 1.449 5.620) 5.911 11.680 ( -6.590 -5.093 8.157) 11.657 12.508 ( -4.201 -1.540 -17.311) 17.880 12.618 ( -1.813 -5.305 11.685) 12.960 12.715 ( 4.281 -6.440 -3.607) 8.533 13.493 ( -5.160 -5.906 3.139) 8.447 13.660 ( 9.508 -2.596 -7.404) 12.327 14.317 ( -1.521 -4.305 -1.151) 4.709 14.427 ( 8.810 0.388 4.842) 10.060 14.807 ( -6.487 2.332 4.163) 8.053 14.949 ( -5.837 4.552 0.675) 7.433 15.175 ( 3.203 2.992 -7.788) 8.937 15.961 ( 5.587 -1.757 -19.217) 20.090 16.377 ( -1.499 -14.879 8.647) 17.274 16.458 ( -1.382 -6.318 -1.780) 6.708 16.698 ( 14.141 -5.699 -4.423) 15.875 17.275 ( -0.276 0.938 -0.168) 0.992 17.913 ( -1.857 10.299 4.690) 11.468 18.334 ( -1.634 1.993 -0.489) 2.623 19.915 ( 3.975 -1.988 17.605) 18.158 20.835 ( -2.705 3.972 10.224) 11.297 21.914 ( 14.636 -4.224 -6.109) 16.412 25.015 ( 0.440 7.365 -1.535) 7.536 26.204 ( -0.935 -0.460 -6.907) 6.985 26.955 ( 0.828 -4.954 5.841) 7.703 27.461 ( -10.394 8.943 -2.372) 13.915 ======================= Grid point 276 (132/227) ======================= q-point: (-0.40 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 4.337 -0.000 -12.465) 13.198 3.594 ( 5.222 -0.000 -1.558) 5.449 3.708 ( 3.151 -0.000 -0.994) 3.304 4.427 ( 10.904 -0.000 19.305) 22.172 4.628 ( -8.963 0.000 -10.731) 13.981 5.258 ( -11.742 0.000 -5.149) 12.821 5.878 ( 13.430 -0.000 -2.701) 13.699 6.034 ( 4.563 -0.000 -0.807) 4.634 6.364 ( 16.549 -0.000 4.685) 17.199 6.576 ( -3.436 0.000 6.784) 7.604 6.956 ( 8.732 -0.000 17.906) 19.921 7.487 ( -7.802 0.000 3.245) 8.450 8.057 ( -9.133 0.000 -6.024) 10.941 8.176 ( -8.623 0.000 7.887) 11.686 8.281 ( -33.631 0.000 -8.185) 34.613 9.579 ( -7.002 0.000 -0.336) 7.010 10.025 ( -10.781 0.000 -0.075) 10.782 10.566 ( 0.417 -0.000 -2.457) 2.492 11.389 ( 0.820 -0.000 -8.897) 8.935 11.477 ( 2.024 -0.000 -5.255) 5.632 11.592 ( 15.170 -0.000 7.418) 16.887 11.851 ( 3.822 -0.000 -15.295) 15.766 12.737 ( -4.593 0.000 10.799) 11.735 12.813 ( -6.596 0.000 4.417) 7.938 13.300 ( 2.494 -0.000 0.150) 2.498 13.560 ( -2.401 0.000 -3.698) 4.409 14.066 ( 7.368 -0.000 4.710) 8.745 14.108 ( -1.029 0.000 4.277) 4.399 14.922 ( 2.792 -0.000 4.229) 5.067 15.160 ( 1.485 -0.000 -3.238) 3.562 15.205 ( 19.484 -0.000 -24.092) 30.985 15.483 ( -1.093 0.000 -8.021) 8.095 15.747 ( -3.836 0.000 9.919) 10.634 16.402 ( -1.917 0.000 -4.701) 5.077 16.699 ( -12.350 0.000 9.300) 15.460 17.464 ( -6.549 0.000 2.451) 6.993 18.119 ( -0.703 0.000 -17.695) 17.709 18.323 ( 7.928 -0.000 13.847) 15.956 19.785 ( -2.526 0.000 13.673) 13.904 20.790 ( 9.529 -0.000 5.773) 11.142 20.986 ( 26.223 -0.000 -0.831) 26.236 25.106 ( 2.166 -0.000 -4.482) 4.978 26.439 ( -4.275 0.000 6.318) 7.629 26.930 ( -5.895 0.000 1.833) 6.174 28.080 ( -9.386 0.000 -8.690) 12.791 ======================= Grid point 278 (133/227) ======================= q-point: (-0.30 0.60 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 0.679 7.973 -9.645) 12.532 3.555 ( -3.584 1.070 5.046) 6.281 3.883 ( 6.866 -5.005 -6.332) 10.596 4.520 ( 5.114 5.030 -9.477) 11.885 4.637 ( 2.300 -1.325 8.811) 9.202 5.103 ( 3.059 3.686 -5.209) 7.076 6.018 ( 9.689 11.193 -0.615) 14.817 6.111 ( 5.450 3.037 -5.132) 8.079 6.535 ( -5.317 2.541 1.498) 6.081 6.632 ( 7.659 -5.355 1.423) 9.453 7.094 ( 1.293 3.195 10.197) 10.764 7.293 ( -3.871 -3.441 6.694) 8.464 7.703 ( -16.749 9.709 -2.492) 19.520 7.917 ( -18.535 -11.528 -7.074) 22.945 8.079 ( -6.610 -5.869 14.093) 16.636 9.339 ( -14.451 6.727 -0.608) 15.952 9.848 ( -12.167 -3.678 0.824) 12.738 10.479 ( -7.654 1.736 -2.884) 8.362 11.416 ( 2.401 1.008 -11.672) 11.959 11.473 ( 1.386 5.627 -1.074) 5.894 11.725 ( 7.660 8.842 5.840) 13.075 12.070 ( 5.125 -18.861 -14.966) 24.617 12.652 ( -5.256 0.361 14.965) 15.865 12.720 ( -3.575 0.416 -1.098) 3.763 13.397 ( 8.295 0.965 2.099) 8.611 13.527 ( -0.667 -1.123 -5.954) 6.096 14.134 ( 2.536 -2.656 0.518) 3.709 14.232 ( 8.409 -2.704 6.251) 10.821 14.933 ( -1.136 0.197 6.816) 6.913 15.207 ( 4.609 3.797 -8.003) 9.985 15.271 ( -7.130 4.087 2.180) 8.503 15.666 ( 16.475 -3.185 -26.799) 31.619 15.786 ( 3.730 -10.214 7.776) 13.368 16.372 ( -1.804 -1.337 -5.313) 5.768 16.548 ( -5.065 -0.962 6.690) 8.445 17.357 ( -4.932 0.614 2.163) 5.420 18.093 ( -0.298 2.070 -13.744) 13.902 18.431 ( 4.609 2.126 12.276) 13.284 19.783 ( 0.941 -1.699 15.086) 15.211 20.898 ( 3.216 0.570 7.716) 8.379 21.459 ( 25.794 -1.129 -3.533) 26.059 25.148 ( 4.044 2.555 -6.379) 7.973 26.343 ( -5.184 2.653 3.761) 6.932 26.836 ( -5.840 -2.908 5.009) 8.225 27.870 ( -12.953 2.298 -6.944) 14.875 ======================= Grid point 279 (134/227) ======================= q-point: (-0.20 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -2.885 11.657 -2.781) 12.327 3.481 ( -4.316 0.677 4.075) 5.975 3.973 ( -2.884 -7.113 -6.540) 10.084 4.505 ( -8.053 6.200 1.292) 10.245 4.685 ( 16.501 2.314 -11.193) 20.073 5.340 ( 20.300 5.027 -2.424) 21.053 5.966 ( -3.511 10.266 5.138) 12.005 6.100 ( -17.574 10.695 -8.314) 22.189 6.186 ( -1.400 5.637 -7.282) 9.315 6.794 ( 3.722 -6.503 3.231) 8.160 7.018 ( -1.352 4.614 1.918) 5.177 7.374 ( -1.734 5.476 3.484) 6.718 7.554 ( 7.087 -3.726 -0.387) 8.016 7.806 ( -11.606 -20.511 -1.098) 23.593 8.065 ( -1.161 -6.412 18.837) 19.932 9.012 ( -16.541 1.871 -2.595) 16.847 9.663 ( -11.906 -2.067 2.750) 12.393 10.314 ( -9.583 -0.250 -5.151) 10.883 11.358 ( 0.749 12.133 -5.171) 13.211 11.512 ( 3.285 -2.993 -11.389) 12.225 11.698 ( -1.845 6.656 14.778) 16.312 12.312 ( 2.859 -13.649 -13.164) 19.177 12.564 ( -4.723 -0.424 17.956) 18.572 12.712 ( 4.837 1.744 -9.253) 10.586 13.467 ( 0.964 3.260 1.871) 3.880 13.627 ( 10.610 -1.269 -8.303) 13.533 14.203 ( -0.626 -5.902 -0.253) 5.941 14.418 ( 10.554 -0.920 6.462) 12.409 14.881 ( -3.954 3.164 5.939) 7.805 15.037 ( -9.950 5.078 3.902) 11.833 15.247 ( 2.786 2.973 -7.365) 8.417 15.905 ( 7.475 -3.338 -18.640) 20.359 16.045 ( 6.527 -14.698 2.954) 16.351 16.363 ( -2.277 -3.312 -4.017) 5.682 16.603 ( 10.460 -3.177 0.182) 10.934 17.291 ( -1.830 0.518 1.051) 2.173 18.059 ( -0.190 4.011 -7.760) 8.737 18.435 ( 0.688 6.104 8.823) 10.750 19.854 ( 3.616 -3.320 17.371) 18.051 20.892 ( -2.684 1.669 9.070) 9.605 21.859 ( 17.620 -1.448 -6.063) 18.690 25.174 ( 4.054 6.991 -5.979) 10.053 26.226 ( -4.371 2.257 -1.397) 5.114 26.814 ( -2.533 -7.432 7.806) 11.071 27.596 ( -13.920 4.126 -4.494) 15.198 ======================= Grid point 280 (135/227) ======================= q-point: (-0.10 -0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -4.514 7.023 3.725) 9.142 3.376 ( -7.603 0.239 2.011) 7.868 3.975 ( -3.691 -5.909 -5.845) 9.094 4.349 ( -1.939 4.301 0.778) 4.781 4.961 ( 14.297 1.503 -11.385) 18.338 5.319 ( -17.014 5.064 -1.927) 17.855 5.563 ( -16.333 6.631 2.558) 17.812 6.053 ( 9.556 7.758 2.232) 12.510 6.222 ( 11.508 1.486 -10.379) 15.568 6.818 ( -3.300 0.197 0.794) 3.400 6.946 ( -1.595 6.928 -5.951) 9.271 7.275 ( -5.994 -1.217 7.304) 9.527 7.675 ( 0.671 -2.953 -1.735) 3.490 7.941 ( 1.958 -18.698 3.016) 19.041 8.215 ( 9.852 -3.667 18.422) 21.210 8.773 ( -10.511 -4.360 -7.370) 13.558 9.525 ( -5.353 -2.702 2.763) 6.603 10.158 ( -10.174 -3.256 -6.239) 12.371 11.237 ( 0.260 11.884 -3.324) 12.343 11.546 ( -2.421 9.228 16.978) 19.475 11.619 ( 2.587 -2.965 -14.001) 14.544 12.444 ( 1.794 -4.757 -12.103) 13.128 12.529 ( -2.359 -5.998 17.451) 18.603 12.829 ( 9.562 2.254 -8.713) 13.131 13.411 ( -2.343 4.470 -0.366) 5.060 13.820 ( 9.368 0.545 -7.190) 11.822 14.232 ( -2.230 -5.763 1.112) 6.278 14.585 ( 5.087 5.587 4.803) 8.953 14.719 ( -4.407 0.104 2.878) 5.265 14.900 ( -3.040 2.104 3.654) 5.198 15.261 ( 2.536 2.615 -6.122) 7.124 15.980 ( -0.875 -2.320 -16.760) 16.942 16.207 ( -2.451 -7.927 0.761) 8.333 16.428 ( 4.699 -6.290 2.255) 8.168 16.912 ( 16.180 -5.515 -3.456) 17.441 17.296 ( 2.908 -1.390 -3.352) 4.650 17.973 ( -2.966 9.021 1.538) 9.620 18.354 ( -1.659 6.547 3.133) 7.445 19.973 ( 5.423 -3.277 20.126) 21.100 20.783 ( -7.196 2.371 8.900) 11.688 22.066 ( 4.900 0.359 -7.639) 9.082 25.120 ( 0.816 11.537 -2.634) 11.862 26.178 ( -0.378 -2.094 -6.325) 6.673 26.897 ( 0.699 -8.781 5.182) 10.220 27.342 ( -9.482 1.777 -0.039) 9.648 ======================= Grid point 288 (136/227) ======================= q-point: (-0.30 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -3.559 0.000 -8.794) 9.487 3.470 ( -6.111 0.000 7.462) 9.645 3.893 ( -1.021 0.000 -5.065) 5.167 4.564 ( -9.249 0.000 4.289) 10.195 4.721 ( 15.170 -0.000 -14.910) 21.271 5.396 ( 25.595 -0.000 -6.053) 26.301 6.074 ( -9.167 0.000 4.580) 10.248 6.247 ( 3.532 -0.000 -8.687) 9.378 6.266 ( -33.059 0.000 -7.540) 33.907 6.647 ( 9.554 -0.000 2.900) 9.985 7.227 ( -2.294 0.000 -2.936) 3.726 7.309 ( 13.947 -0.000 12.829) 18.950 7.501 ( -14.472 0.000 0.451) 14.479 7.588 ( -5.297 0.000 -0.271) 5.304 7.990 ( 1.161 -0.000 17.707) 17.745 9.034 ( -21.682 0.000 -0.377) 21.685 9.642 ( -9.062 0.000 1.096) 9.128 10.285 ( -13.843 0.000 -5.490) 14.892 11.467 ( 3.249 -0.000 -15.252) 15.595 11.489 ( -3.036 0.000 20.584) 20.807 11.903 ( -0.052 0.000 -30.566) 30.566 12.060 ( 9.707 -0.000 8.804) 13.105 12.560 ( -5.700 0.000 18.190) 19.062 12.733 ( 5.179 -0.000 -9.361) 10.698 13.564 ( 4.935 -0.000 -10.923) 11.986 13.578 ( 10.740 -0.000 5.707) 12.162 14.126 ( -0.485 0.000 -1.568) 1.641 14.406 ( 10.868 -0.000 8.722) 13.935 14.910 ( -1.594 0.000 6.493) 6.686 15.123 ( -10.946 0.000 3.340) 11.445 15.272 ( 0.211 -0.000 -4.195) 4.201 15.841 ( 10.121 -0.000 5.039) 11.306 15.889 ( 7.944 -0.000 -24.978) 26.211 16.327 ( -1.781 0.000 -4.621) 4.952 16.570 ( 8.654 -0.000 1.628) 8.806 17.296 ( -2.376 0.000 1.282) 2.700 18.098 ( -0.009 0.000 -12.551) 12.551 18.510 ( 2.216 -0.000 13.023) 13.210 19.812 ( 3.101 -0.000 17.064) 17.344 20.909 ( -2.621 0.000 8.607) 8.997 21.845 ( 18.585 -0.000 -6.225) 19.600 25.255 ( 6.635 -0.000 -9.414) 11.518 26.262 ( -5.780 0.000 3.706) 6.866 26.719 ( -4.972 0.000 7.147) 8.706 27.637 ( -14.815 0.000 -4.999) 15.636 ======================= Grid point 289 (137/227) ======================= q-point: (-0.20 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.565 ( -7.905 6.861 -3.469) 11.027 3.353 ( -9.076 -1.814 6.940) 11.568 3.885 ( -0.871 -2.264 -4.011) 4.688 4.409 ( -5.904 1.446 2.014) 6.403 4.990 ( 15.075 0.848 -12.679) 19.717 5.438 ( -42.314 5.038 -5.067) 42.913 5.743 ( -9.734 9.454 5.054) 14.480 5.997 ( 18.203 -9.283 -4.857) 21.002 6.345 ( 4.514 6.855 -11.252) 13.928 6.795 ( -2.896 -2.722 1.015) 4.102 7.036 ( 0.051 4.117 -4.883) 6.387 7.215 ( -22.272 -6.723 10.329) 25.455 7.625 ( 4.546 -1.136 -2.939) 5.531 7.665 ( 16.768 -4.476 8.763) 19.442 8.157 ( 14.914 -1.773 19.731) 24.797 8.706 ( -14.658 -2.046 -5.475) 15.780 9.516 ( -4.661 0.947 0.668) 4.803 10.037 ( -16.809 -5.282 -8.747) 19.671 11.398 ( -4.244 3.897 23.140) 23.846 11.529 ( 2.292 -2.793 -15.102) 15.528 11.824 ( 1.657 11.759 -19.764) 23.057 12.272 ( 7.039 -8.437 -1.757) 11.127 12.473 ( -4.926 -1.186 19.205) 19.863 12.872 ( 10.493 1.254 -12.074) 16.046 13.588 ( 4.001 10.306 -5.489) 12.343 13.799 ( 10.667 -3.986 -2.126) 11.584 14.121 ( -2.568 -3.456 0.139) 4.308 14.585 ( 8.376 -1.523 7.206) 11.154 14.855 ( -4.266 6.306 5.082) 9.154 14.939 ( -5.016 2.509 3.722) 6.731 15.268 ( -0.298 -1.865 -1.003) 2.138 15.935 ( -1.537 -1.540 -18.530) 18.657 16.052 ( 6.741 -5.133 -1.184) 8.555 16.339 ( 3.858 -2.117 -0.826) 4.477 16.823 ( 16.993 -2.446 -3.643) 17.551 17.276 ( -0.021 -0.484 -0.674) 0.830 18.083 ( -0.713 2.245 -7.932) 8.275 18.497 ( -1.064 4.978 11.232) 12.331 19.900 ( 4.992 -2.684 19.676) 20.477 20.814 ( -7.680 0.718 9.015) 11.865 22.076 ( 7.616 0.381 -8.912) 11.729 25.345 ( 6.932 7.596 -9.606) 14.072 26.159 ( -4.810 0.013 0.148) 4.812 26.701 ( -0.992 -7.268 9.245) 11.801 27.370 ( -14.577 0.729 -2.863) 14.873 ======================= Grid point 290 (138/227) ======================= q-point: (-0.10 -0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( -9.071 5.676 3.211) 11.172 3.173 ( -13.953 -1.846 6.032) 15.312 3.904 ( 0.199 -1.973 -2.894) 3.509 4.365 ( 1.630 -0.439 2.510) 3.025 4.661 ( -43.423 -6.545 -1.477) 43.938 5.171 ( 2.183 -0.226 -1.440) 2.625 5.447 ( -8.150 3.882 6.237) 10.972 6.136 ( -14.560 12.088 -0.505) 18.931 6.494 ( 18.415 -4.565 -11.949) 22.422 6.701 ( -7.322 -6.461 -4.302) 10.671 6.912 ( -12.504 -4.731 10.161) 16.793 7.131 ( 7.056 2.551 -3.781) 8.402 7.703 ( 4.208 1.686 1.061) 4.656 8.010 ( 16.617 -4.832 4.494) 17.879 8.421 ( 11.560 1.844 15.290) 19.257 8.596 ( -2.208 -5.012 -11.003) 12.290 9.500 ( 4.262 -1.087 -2.433) 5.027 9.826 ( -16.619 -11.029 -9.152) 21.945 11.293 ( -1.808 6.257 18.226) 19.355 11.603 ( 2.027 -4.818 -13.592) 14.563 11.746 ( 5.178 13.523 -13.867) 20.049 12.423 ( -2.803 -5.258 17.255) 18.255 12.481 ( 7.654 -3.978 -2.102) 8.879 13.030 ( 9.490 2.536 -11.725) 15.296 13.498 ( 0.584 13.342 -2.033) 13.509 13.970 ( 5.217 2.753 -7.318) 9.399 14.121 ( -1.969 -8.250 3.998) 9.377 14.625 ( -7.041 8.217 2.353) 11.074 14.766 ( 7.521 -0.403 2.474) 7.928 14.894 ( 0.464 2.183 3.727) 4.344 15.311 ( 2.784 -0.918 0.692) 3.012 15.885 ( -5.777 -2.341 -13.686) 15.039 16.133 ( 0.056 -3.968 -4.976) 6.365 16.505 ( 9.262 -2.070 1.673) 9.637 17.113 ( 10.041 -0.647 -0.712) 10.087 17.356 ( 8.909 -6.210 -6.009) 12.411 17.994 ( -4.727 7.477 0.720) 8.875 18.392 ( -2.887 7.441 6.407) 10.235 20.043 ( 6.645 -4.178 21.989) 23.348 20.645 ( -10.447 0.996 8.707) 13.636 22.077 ( -5.820 3.032 -10.580) 12.450 25.291 ( 1.926 17.546 -4.010) 18.101 26.144 ( 0.594 -5.045 -5.916) 7.798 26.810 ( 0.229 -8.982 4.629) 10.107 27.172 ( -7.370 -5.970 1.566) 9.614 ======================= Grid point 299 (139/227) ======================= q-point: (-0.20 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -12.034 0.000 -0.661) 12.052 3.149 ( -13.671 0.000 10.254) 17.089 3.888 ( 2.085 -0.000 -3.204) 3.823 4.359 ( -0.242 0.000 2.106) 2.120 4.587 ( -52.007 0.000 0.764) 52.013 5.171 ( 2.732 -0.000 -2.794) 3.907 5.500 ( -13.810 0.000 5.877) 15.009 6.315 ( -14.680 0.000 4.682) 15.409 6.462 ( 24.476 -0.000 -19.116) 31.056 6.536 ( -18.877 0.000 -4.949) 19.515 6.826 ( -9.646 0.000 15.977) 18.663 7.189 ( 11.006 -0.000 -4.669) 11.956 7.718 ( 7.056 -0.000 0.221) 7.059 7.972 ( 18.138 -0.000 7.355) 19.572 8.457 ( 17.031 -0.000 15.530) 23.048 8.535 ( -3.640 0.000 -13.198) 13.691 9.507 ( 3.240 -0.000 -2.025) 3.821 9.678 ( -19.432 0.000 -11.998) 22.838 11.376 ( -0.367 0.000 29.423) 29.426 11.529 ( 0.029 -0.000 -19.519) 19.519 11.906 ( 2.246 -0.000 -25.852) 25.950 12.387 ( -4.106 0.000 18.845) 19.287 12.400 ( 11.294 -0.000 3.451) 11.809 13.056 ( 9.495 -0.000 -13.360) 16.391 13.729 ( 2.077 -0.000 -15.314) 15.454 13.895 ( 5.368 -0.000 11.854) 13.013 14.066 ( -1.984 0.000 -3.145) 3.718 14.652 ( 1.550 -0.000 3.264) 3.613 14.844 ( -3.928 0.000 2.787) 4.816 14.939 ( 3.745 -0.000 3.394) 5.054 15.264 ( 3.302 -0.000 6.484) 7.276 15.858 ( -5.302 0.000 -16.470) 17.303 16.091 ( 0.496 -0.000 -5.409) 5.432 16.479 ( 12.230 -0.000 0.644) 12.247 17.110 ( 16.685 -0.000 -3.721) 17.095 17.281 ( 1.410 -0.000 -2.138) 2.562 18.066 ( -2.981 0.000 -4.420) 5.331 18.488 ( -3.326 0.000 11.198) 11.681 19.987 ( 6.368 -0.000 21.540) 22.461 20.656 ( -10.709 0.000 9.227) 14.136 22.111 ( -4.159 0.000 -12.252) 12.939 25.546 ( 10.014 -0.000 -12.953) 16.373 26.060 ( -5.556 0.000 0.891) 5.627 26.670 ( 2.359 -0.000 10.627) 10.885 27.118 ( -14.061 0.000 -1.561) 14.147 ======================= Grid point 300 (140/227) ======================= q-point: (-0.10 -0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -10.582 1.574 6.169) 12.349 2.870 ( -19.130 -1.673 13.946) 23.733 3.733 ( -43.592 -5.623 8.006) 44.676 3.961 ( 0.661 -3.781 -4.052) 5.581 4.404 ( 3.758 -1.797 5.275) 6.721 5.041 ( -12.245 -0.724 14.865) 19.273 5.412 ( -1.114 0.435 -5.283) 5.417 5.784 ( -34.072 2.255 25.431) 42.576 6.250 ( -17.782 -5.746 -2.848) 18.903 6.626 ( -5.461 -3.437 4.119) 7.655 7.074 ( 26.531 -1.805 -24.059) 35.861 7.337 ( 8.694 5.781 -5.379) 11.745 7.846 ( 8.117 2.962 3.348) 9.267 8.276 ( 15.306 -0.775 2.757) 15.572 8.523 ( 1.818 -1.095 -15.428) 15.573 8.667 ( 7.048 3.870 9.706) 12.604 9.407 ( -15.525 -9.842 -12.536) 22.249 9.648 ( 11.824 -0.941 -5.104) 12.913 11.378 ( 3.487 7.352 16.179) 18.110 11.560 ( 0.856 -6.847 -10.075) 12.211 11.945 ( 6.683 5.133 -18.474) 20.305 12.343 ( -2.090 -1.604 17.269) 17.469 12.623 ( 11.783 -2.623 2.009) 12.238 13.182 ( 5.743 1.208 -15.051) 16.155 13.650 ( -0.044 12.748 -3.869) 13.322 13.998 ( -3.340 -2.749 7.537) 8.690 14.040 ( 2.113 -4.815 -5.698) 7.754 14.624 ( -3.005 8.905 -0.696) 9.424 14.779 ( -1.904 -4.490 -1.328) 5.055 15.016 ( 7.289 3.275 3.689) 8.801 15.380 ( 6.874 -0.228 7.175) 9.939 15.749 ( -7.506 -1.174 -13.968) 15.900 16.115 ( 2.368 -2.407 -3.721) 5.025 16.689 ( 11.233 1.389 -1.335) 11.397 17.263 ( 5.211 6.624 -0.542) 8.446 17.459 ( 11.952 -10.903 -2.013) 16.303 17.952 ( -7.753 4.702 2.710) 9.463 18.399 ( -3.482 4.599 7.544) 9.497 20.127 ( 6.737 -3.301 20.396) 21.733 20.467 ( -10.056 0.435 11.364) 15.181 21.912 ( -16.768 3.254 -14.714) 22.544 25.556 ( 3.915 24.263 -5.692) 25.228 26.078 ( 1.761 -12.593 -5.989) 14.055 26.740 ( -1.676 -1.127 4.063) 4.537 26.967 ( -4.302 -13.884 2.664) 14.777 ======================= Grid point 310 (141/227) ======================= q-point: (-0.10 -0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -8.449 0.000 16.278) 18.341 2.492 ( -21.972 0.000 24.427) 32.855 2.999 ( -29.327 0.000 16.278) 33.542 4.019 ( 4.530 -0.000 -6.570) 7.981 4.426 ( -3.597 0.000 22.767) 23.050 4.853 ( -8.001 0.000 15.035) 17.031 5.171 ( -30.451 0.000 30.682) 43.228 5.361 ( -5.798 0.000 -2.733) 6.410 5.984 ( -10.187 0.000 -7.369) 12.573 6.410 ( -17.079 0.000 6.173) 18.160 7.485 ( 17.959 -0.000 -33.225) 37.768 7.512 ( 7.476 -0.000 -4.675) 8.818 7.992 ( 5.526 -0.000 5.878) 8.068 8.497 ( 7.466 -0.000 -7.038) 10.260 8.557 ( 6.536 -0.000 -14.629) 16.023 8.789 ( 3.155 -0.000 9.864) 10.356 9.115 ( -8.962 0.000 -15.045) 17.512 9.879 ( 13.750 -0.000 -7.337) 15.585 11.471 ( -2.012 0.000 -17.173) 17.291 11.588 ( 10.159 -0.000 22.369) 24.568 12.089 ( 7.712 -0.000 -10.036) 12.657 12.339 ( 2.414 -0.000 10.194) 10.476 12.814 ( 11.335 -0.000 2.945) 11.712 13.248 ( 1.721 -0.000 -16.090) 16.181 13.716 ( -0.596 0.000 -1.572) 1.681 13.946 ( -1.149 0.000 11.654) 11.711 13.996 ( -2.734 0.000 -6.093) 6.678 14.599 ( -7.341 0.000 -1.689) 7.533 14.758 ( 4.951 -0.000 -4.813) 6.905 15.140 ( 5.140 -0.000 1.054) 5.247 15.519 ( 6.319 -0.000 5.070) 8.101 15.590 ( -9.653 0.000 -14.100) 17.087 16.203 ( 9.882 -0.000 -1.613) 10.013 16.888 ( 10.379 -0.000 -3.836) 11.065 17.465 ( 9.187 -0.000 0.432) 9.197 17.517 ( 4.425 -0.000 5.938) 7.405 17.821 ( -8.130 0.000 10.012) 12.898 18.387 ( -0.205 0.000 4.598) 4.603 20.159 ( -3.852 0.000 6.064) 7.184 20.385 ( 2.577 -0.000 24.715) 24.849 21.553 ( -25.851 0.000 -17.683) 31.320 25.903 ( -3.057 0.000 -1.289) 3.318 25.931 ( 12.097 -0.000 -11.220) 16.499 26.709 ( -8.818 0.000 1.052) 8.881 26.784 ( -0.325 0.000 2.792) 2.811 ======================= Grid point 311 (142/227) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 9.649 -0.000 14.227) 17.191 2.763 ( 2.246 -0.000 25.895) 25.992 3.211 ( 5.455 -0.000 13.292) 14.368 3.895 ( 1.038 -0.000 -10.567) 10.618 4.901 ( -16.674 0.000 30.747) 34.977 5.034 ( -0.338 0.000 14.507) 14.511 5.084 ( -7.334 0.000 2.476) 7.741 5.160 ( 12.739 -0.000 14.389) 19.217 5.629 ( -0.626 0.000 -11.581) 11.597 5.810 ( -29.642 0.000 31.058) 42.933 6.963 ( 2.224 -0.000 -23.479) 23.584 7.623 ( 2.226 -0.000 -4.004) 4.581 8.008 ( -8.573 0.000 -10.147) 13.284 8.122 ( -3.653 0.000 5.866) 6.911 8.525 ( 10.968 -0.000 -33.239) 35.002 9.085 ( 0.863 -0.000 12.247) 12.277 9.127 ( 12.380 -0.000 -4.396) 13.137 9.887 ( 1.605 -0.000 -15.628) 15.710 11.217 ( 0.032 -0.000 -6.199) 6.199 12.191 ( 0.556 -0.000 16.055) 16.065 12.376 ( -1.363 0.000 4.635) 4.832 12.633 ( 13.659 -0.000 -2.226) 13.839 12.968 ( -5.029 0.000 -1.474) 5.241 13.265 ( 7.323 -0.000 -1.001) 7.391 13.644 ( -4.711 0.000 -5.419) 7.180 13.793 ( -3.595 0.000 1.238) 3.802 14.065 ( -0.402 0.000 6.704) 6.717 14.522 ( 7.057 -0.000 -6.099) 9.327 14.749 ( 2.332 -0.000 -10.080) 10.347 14.994 ( -8.621 0.000 -2.869) 9.086 15.192 ( -0.325 0.000 -2.952) 2.970 15.568 ( -0.959 0.000 0.474) 1.070 16.263 ( 2.158 -0.000 -10.620) 10.837 17.194 ( -6.865 0.000 1.781) 7.092 17.288 ( 4.009 -0.000 1.377) 4.238 17.668 ( -5.416 0.000 8.555) 10.125 18.505 ( 4.438 -0.000 -0.673) 4.488 18.682 ( 6.999 -0.000 7.342) 10.144 20.049 ( -0.090 0.000 2.530) 2.531 20.203 ( -7.961 0.000 0.400) 7.971 21.282 ( 10.584 -0.000 2.359) 10.844 25.826 ( 0.722 -0.000 -1.428) 1.600 26.046 ( -16.554 0.000 0.702) 16.569 26.381 ( 4.082 -0.000 -2.175) 4.625 26.579 ( -0.413 0.000 1.411) 1.471 ======================= Grid point 312 (143/227) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 10.376 20.140 11.708) 25.502 3.072 ( 9.626 -19.995 19.010) 29.221 3.255 ( 0.194 -0.938 11.870) 11.909 3.953 ( 2.020 -5.317 -10.674) 12.095 4.784 ( -0.022 0.911 30.860) 30.873 4.942 ( -7.398 -1.190 7.867) 10.865 5.068 ( -0.634 -0.644 14.999) 15.026 5.228 ( -7.148 -13.067 20.492) 25.333 5.516 ( 3.047 6.294 4.927) 8.554 5.787 ( 4.835 -17.077 -2.628) 17.942 7.023 ( 2.373 -5.668 -9.688) 11.472 7.589 ( -5.480 1.172 -5.472) 7.832 7.856 ( -9.167 0.239 -6.900) 11.476 8.011 ( -1.836 6.620 6.273) 9.303 8.675 ( 4.886 -3.301 -22.819) 23.569 9.093 ( -0.124 1.000 10.218) 10.268 9.357 ( 13.242 4.543 -14.145) 19.901 9.914 ( -0.363 -5.297 -16.192) 17.040 11.204 ( -1.761 -0.490 -5.951) 6.225 12.143 ( -5.137 4.862 13.940) 15.632 12.259 ( -8.549 -2.094 -1.522) 8.932 12.779 ( -14.239 0.960 2.602) 14.507 12.907 ( 17.933 5.945 -2.437) 19.050 13.417 ( 6.933 1.954 -9.463) 11.893 13.508 ( -5.911 1.218 3.281) 6.869 13.734 ( -2.600 -0.493 -1.534) 3.059 14.101 ( 3.709 -0.779 8.704) 9.494 14.634 ( 2.987 7.092 -12.422) 14.612 14.740 ( -0.362 -2.877 -9.125) 9.575 14.935 ( 1.411 -1.859 1.032) 2.552 15.162 ( -1.407 1.023 -2.829) 3.321 15.535 ( -4.140 -0.470 2.475) 4.846 16.281 ( 0.270 0.050 -12.226) 12.229 16.969 ( -9.875 3.305 2.014) 10.606 17.427 ( 7.209 3.044 2.857) 8.331 17.515 ( -9.357 2.659 9.153) 13.357 18.426 ( -16.314 8.779 4.149) 18.985 18.609 ( -2.102 -1.615 -0.408) 2.682 20.030 ( -0.176 -0.724 4.852) 4.909 20.435 ( 22.676 -2.291 5.824) 23.524 21.457 ( 12.461 6.385 -8.122) 16.187 25.383 ( -13.385 25.937 7.888) 30.234 26.055 ( -9.123 -20.414 -1.588) 22.416 26.575 ( 6.781 -7.955 -1.752) 10.599 26.690 ( 6.922 -11.237 2.309) 13.399 ======================= Grid point 313 (144/227) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 12.687 20.095 5.180) 24.323 3.215 ( -0.956 -6.091 26.468) 27.177 3.514 ( 10.836 -17.091 1.973) 20.333 4.042 ( 0.956 -5.308 -9.623) 11.032 4.735 ( -1.700 0.723 23.662) 23.734 4.862 ( -2.678 -2.292 12.178) 12.678 5.095 ( 4.274 0.844 7.972) 9.085 5.408 ( 0.567 -18.230 9.146) 20.404 5.593 ( 8.265 -1.321 -8.846) 12.178 6.090 ( 9.070 -16.593 4.382) 19.411 7.180 ( 4.775 -13.227 6.583) 15.527 7.426 ( -10.709 0.507 -4.444) 11.606 7.678 ( -7.320 4.770 -3.970) 9.597 7.968 ( 0.149 0.205 3.264) 3.274 8.782 ( 6.895 1.277 -16.836) 18.238 9.028 ( -6.036 1.852 9.381) 11.308 9.465 ( 6.227 4.867 -12.828) 15.067 9.969 ( -1.784 -7.553 -16.237) 17.996 11.162 ( -3.832 -0.570 -5.040) 6.357 11.904 ( -11.716 7.912 0.800) 14.160 12.187 ( -3.807 -1.350 3.203) 5.155 12.506 ( -15.081 0.218 3.307) 15.441 13.083 ( 11.649 11.447 -2.011) 16.455 13.256 ( -12.554 1.711 1.462) 12.754 13.589 ( 9.920 9.397 -6.448) 15.109 13.749 ( 1.446 -6.142 -5.091) 8.108 14.213 ( 8.156 -0.006 9.038) 12.174 14.478 ( -7.771 4.390 -7.510) 11.664 14.814 ( 4.212 5.527 -7.989) 10.588 14.950 ( -2.791 -2.100 2.765) 4.455 15.209 ( 6.040 -3.254 -8.574) 10.982 15.419 ( -8.282 0.434 5.495) 9.949 16.284 ( 0.764 -0.817 -13.132) 13.179 16.825 ( -1.827 6.035 -0.789) 6.355 17.308 ( -10.449 2.364 8.936) 13.951 17.446 ( -0.801 6.233 3.278) 7.088 18.035 ( -17.576 0.609 7.650) 19.179 18.588 ( 1.465 7.200 -1.012) 7.417 20.072 ( 3.548 -0.731 8.422) 9.168 20.798 ( 11.184 -6.002 11.854) 17.368 21.581 ( 15.575 14.427 -14.439) 25.675 25.028 ( -6.976 8.862 7.667) 13.637 26.084 ( -2.506 -5.792 -3.389) 7.163 26.746 ( 1.955 -12.060 -1.787) 12.347 26.965 ( 6.740 -14.152 3.211) 16.001 ======================= Grid point 314 (145/227) ======================= q-point: ( 0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 8.794 17.056 3.473) 19.501 3.311 ( 2.788 -6.880 18.199) 19.655 3.820 ( 6.191 -11.848 -1.303) 13.431 4.056 ( -1.409 -0.608 -9.884) 10.003 4.726 ( -1.415 -2.531 16.266) 16.522 5.032 ( 10.394 -11.103 6.849) 16.680 5.170 ( 12.263 7.907 4.240) 15.195 5.538 ( 0.345 -10.131 7.298) 12.491 5.722 ( -1.673 -6.759 -14.629) 16.201 6.417 ( 7.186 -16.257 1.620) 17.848 7.243 ( -9.784 -1.079 -3.833) 10.563 7.372 ( -1.952 -4.120 13.467) 14.218 7.610 ( 8.365 -1.241 1.584) 8.604 7.995 ( -1.124 -7.895 1.924) 8.203 8.855 ( -0.591 2.018 0.784) 2.244 8.886 ( -4.078 1.881 -4.267) 6.195 9.499 ( 2.986 1.547 -10.062) 10.609 9.989 ( -2.712 -4.906 -11.301) 12.615 11.069 ( -7.198 0.057 -3.594) 8.045 11.651 ( -7.479 6.214 -6.386) 11.633 12.120 ( -4.826 0.821 7.499) 8.955 12.280 ( -10.752 -0.771 -0.695) 10.802 12.996 ( -9.948 4.933 -2.009) 11.284 13.113 ( 2.775 9.780 6.377) 12.000 13.620 ( 7.875 12.170 -7.928) 16.522 13.841 ( 1.845 -0.803 -5.899) 6.233 14.329 ( -5.556 0.905 -4.013) 6.913 14.360 ( 8.201 1.489 6.218) 10.399 14.742 ( -2.452 3.872 -4.701) 6.565 14.944 ( -0.758 0.133 3.737) 3.816 15.207 ( -8.723 -1.792 2.084) 9.145 15.442 ( 8.812 -3.016 -9.995) 13.662 16.340 ( 4.624 -1.530 -13.781) 14.616 16.736 ( -0.942 7.802 -1.477) 7.996 17.094 ( -9.908 6.268 8.868) 14.700 17.323 ( -5.074 1.968 3.015) 6.222 17.858 ( -7.461 -5.747 7.815) 12.238 18.508 ( -0.113 9.979 0.011) 9.980 20.159 ( 5.281 -0.339 11.692) 12.834 20.936 ( -1.284 -5.896 11.145) 12.674 21.727 ( 16.587 11.608 -12.098) 23.585 24.915 ( -2.062 0.631 3.721) 4.300 26.095 ( 0.347 -0.266 -4.232) 4.255 26.888 ( 1.075 -9.757 -1.502) 9.931 27.186 ( 3.244 -11.519 3.353) 12.428 ======================= Grid point 315 (146/227) ======================= q-point: ( 0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( 2.933 11.325 4.039) 12.376 3.409 ( 0.933 -3.659 6.871) 7.840 3.913 ( -2.231 -2.182 -6.628) 7.326 4.106 ( 4.660 -2.362 -6.837) 8.604 4.796 ( 6.969 -2.004 12.780) 14.694 5.128 ( 0.543 -1.941 -1.370) 2.437 5.508 ( 9.308 -3.833 -8.603) 13.241 5.668 ( 6.233 -8.146 8.646) 13.415 5.711 ( 1.685 -4.518 -4.137) 6.353 6.643 ( 2.104 -11.901 -0.422) 12.093 7.094 ( -9.102 -0.194 -0.309) 9.109 7.314 ( -1.616 0.221 4.256) 4.558 7.765 ( 4.175 2.960 0.994) 5.213 8.136 ( 3.874 -12.208 7.112) 14.649 8.703 ( -9.466 0.935 12.382) 15.614 8.838 ( -1.905 5.963 -12.791) 14.241 9.602 ( 6.862 -5.419 -6.892) 11.133 9.973 ( -2.336 -1.137 -3.252) 4.162 10.922 ( -8.792 -0.494 -5.014) 10.133 11.527 ( -0.687 5.054 -9.041) 10.380 12.000 ( -9.901 -2.960 13.438) 16.952 12.165 ( -3.076 -0.627 -5.567) 6.391 12.807 ( -4.205 5.345 0.962) 6.868 13.049 ( 0.722 8.069 6.818) 10.589 13.620 ( 4.535 9.661 -9.488) 14.280 13.771 ( -3.719 8.676 1.791) 9.608 14.256 ( -3.520 -1.396 -2.139) 4.348 14.463 ( 5.739 0.437 -2.871) 6.432 14.738 ( 0.748 -3.182 -1.585) 3.633 14.891 ( -3.542 0.238 3.758) 5.170 15.117 ( -3.235 -1.147 2.899) 4.492 15.607 ( 6.669 -1.357 -13.885) 15.463 16.439 ( 3.762 1.658 -12.048) 12.730 16.648 ( -0.778 2.329 -0.607) 2.529 16.866 ( -4.338 9.788 6.391) 12.469 17.273 ( -1.597 -1.621 2.416) 3.319 17.840 ( -4.419 -8.991 6.627) 12.012 18.398 ( -0.962 8.203 0.970) 8.316 20.261 ( 5.762 -0.240 13.603) 14.775 20.929 ( -5.040 -4.495 6.777) 9.567 21.876 ( 9.935 5.464 -7.660) 13.683 24.905 ( -0.788 -2.330 1.162) 2.720 26.102 ( 1.599 2.102 -4.701) 5.393 26.974 ( -0.453 -5.705 -0.774) 5.775 27.321 ( 1.839 -6.130 3.024) 7.078 ======================= Grid point 316 (147/227) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.510 ( -1.456 5.061 5.207) 7.406 3.411 ( -3.640 -1.107 3.961) 5.492 3.896 ( 1.014 1.927 -9.337) 9.588 4.189 ( 2.575 -2.944 -3.592) 5.310 4.943 ( 9.017 5.469 4.409) 11.430 5.200 ( -0.431 -7.843 -2.293) 8.183 5.406 ( -9.115 0.468 -5.189) 10.500 5.781 ( 1.146 -6.286 -6.065) 8.810 6.051 ( 16.078 -5.405 -0.951) 16.989 6.757 ( 1.150 -5.966 1.715) 6.313 6.900 ( -10.655 4.466 1.234) 11.619 7.349 ( 2.575 -2.975 1.823) 4.336 7.739 ( -3.236 0.078 2.875) 4.329 8.251 ( 0.937 1.075 3.980) 4.228 8.592 ( -0.274 1.514 9.518) 9.642 8.729 ( -0.421 7.318 -5.638) 9.247 9.666 ( -4.522 3.269 -0.236) 5.585 10.007 ( 2.167 -4.086 -3.947) 6.080 10.828 ( -2.203 -4.162 -6.923) 8.373 11.483 ( 1.806 6.306 -9.504) 11.548 11.869 ( -11.214 -7.998 17.940) 22.618 12.182 ( 2.807 -3.217 -8.241) 9.282 12.773 ( 5.774 3.668 0.951) 6.907 12.987 ( -0.429 4.415 10.150) 11.077 13.484 ( -7.387 8.160 1.697) 11.137 13.704 ( 4.447 5.092 -6.364) 9.285 14.223 ( -3.521 -3.907 -0.442) 5.278 14.570 ( 6.500 0.044 -5.866) 8.756 14.702 ( -8.054 -4.196 2.226) 9.350 14.922 ( 3.636 -2.589 2.181) 4.968 15.098 ( 0.731 0.479 -0.378) 0.953 15.684 ( 2.058 0.475 -13.891) 14.051 16.352 ( -5.693 6.201 -1.677) 8.584 16.631 ( -0.982 3.252 0.808) 3.492 16.888 ( 13.693 1.674 -5.617) 14.895 17.269 ( -0.631 -0.546 1.732) 1.923 17.869 ( -3.946 -9.613 5.360) 11.692 18.328 ( -0.492 2.222 1.973) 3.012 20.367 ( 5.566 -0.461 13.391) 14.509 20.868 ( -6.580 -3.213 5.192) 8.977 21.934 ( 0.391 1.161 -5.859) 5.986 24.926 ( -0.860 -4.339 -0.192) 4.427 26.106 ( 2.259 3.293 -4.918) 6.335 26.987 ( -2.355 -1.486 0.177) 2.791 27.383 ( 2.057 0.463 2.121) 2.990 ======================= Grid point 317 (148/227) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( -4.640 -0.319 7.383) 8.726 3.319 ( -6.797 0.441 6.927) 9.715 3.900 ( 2.685 3.643 -4.103) 6.109 4.276 ( 3.885 -1.117 -8.279) 9.213 4.893 ( -12.674 7.554 8.813) 17.186 5.143 ( 4.996 7.624 -3.897) 9.913 5.378 ( -7.820 -11.438 -4.056) 14.437 5.850 ( 1.093 -3.398 -5.113) 6.236 6.288 ( 7.137 -2.712 -16.048) 17.771 6.667 ( -6.130 8.623 -3.079) 11.019 6.844 ( 2.850 -4.387 5.054) 7.274 7.378 ( -2.114 2.366 5.282) 6.162 7.700 ( -2.806 -3.861 4.489) 6.552 8.234 ( 3.600 4.244 4.098) 6.911 8.565 ( 0.911 7.207 -3.701) 8.153 8.751 ( 6.186 1.210 12.634) 14.119 9.521 ( -2.314 6.021 -3.395) 7.289 9.918 ( -9.878 8.947 -3.942) 13.899 10.980 ( 8.745 -10.290 -8.202) 15.800 11.445 ( 1.422 5.215 -8.935) 10.443 11.809 ( -6.096 -9.589 17.981) 21.270 12.318 ( 7.829 -4.842 -8.675) 12.649 12.886 ( 5.717 1.686 2.777) 6.575 12.949 ( 1.852 1.985 13.523) 13.793 13.320 ( -3.955 1.673 2.182) 4.817 13.753 ( 3.369 -0.871 -9.642) 10.251 14.212 ( -3.363 -5.487 2.315) 6.839 14.568 ( -8.172 -3.627 5.748) 10.629 14.717 ( 6.123 -0.661 -9.470) 11.296 14.977 ( 0.648 -1.315 6.603) 6.764 15.155 ( 4.545 -1.778 -6.126) 7.833 15.673 ( -1.428 1.584 -12.081) 12.267 16.195 ( -3.281 7.120 -0.956) 7.898 16.605 ( 1.081 0.812 2.055) 2.460 17.149 ( 14.367 1.825 -4.741) 15.239 17.275 ( 3.020 -0.934 -2.425) 3.984 17.895 ( -3.963 -8.462 4.408) 10.332 18.335 ( -0.546 -4.313 3.738) 5.734 20.452 ( 2.542 -0.164 9.112) 9.461 20.785 ( -4.928 -1.870 9.266) 10.660 21.853 ( -10.000 -1.462 -6.169) 11.841 24.970 ( -0.869 -7.764 -1.291) 7.919 26.111 ( 2.873 4.144 -4.988) 7.093 26.926 ( -4.063 2.228 1.063) 4.754 27.385 ( 2.694 7.364 0.403) 7.851 ======================= Grid point 318 (149/227) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -5.872 -3.957 10.052) 12.296 3.190 ( -6.196 2.567 12.984) 14.614 3.909 ( 2.717 3.757 -1.890) 5.007 4.139 ( -19.717 12.790 -3.554) 23.769 4.632 ( 1.564 6.293 15.190) 16.516 5.208 ( 5.024 2.302 -3.321) 6.447 5.279 ( -12.417 -7.100 -4.119) 14.885 5.851 ( -4.198 0.307 1.822) 4.587 6.372 ( -2.949 1.653 -25.162) 25.388 6.521 ( 4.583 8.762 -9.913) 14.001 6.946 ( 1.520 -4.413 8.847) 10.003 7.246 ( -3.935 6.193 8.521) 11.245 7.740 ( -0.056 -8.279 1.215) 8.368 8.300 ( 5.724 2.377 -2.630) 6.733 8.499 ( 2.513 11.218 -4.340) 12.288 8.822 ( -0.549 -4.226 14.856) 15.456 9.527 ( 8.421 6.113 -8.541) 13.462 9.585 ( -11.132 12.235 -0.604) 16.552 11.190 ( 4.562 -1.856 -9.005) 10.264 11.501 ( 8.645 -4.551 -5.828) 11.376 11.857 ( 1.030 -7.069 14.980) 16.596 12.534 ( 10.778 -4.877 -8.109) 14.342 12.823 ( -4.953 3.596 17.516) 18.555 13.059 ( 7.066 1.428 4.331) 8.410 13.334 ( 2.179 -6.150 -3.604) 7.454 13.823 ( 1.784 -3.582 -9.157) 9.993 14.217 ( -2.709 -5.044 5.323) 7.818 14.469 ( -7.571 -4.683 2.133) 9.155 14.779 ( -0.222 0.048 -4.037) 4.044 15.040 ( 6.329 0.561 2.161) 6.711 15.243 ( 0.711 -4.992 -7.290) 8.864 15.617 ( -1.700 2.352 -7.330) 7.883 16.110 ( 1.821 6.258 -3.542) 7.418 16.659 ( 3.981 -2.780 1.472) 5.074 17.237 ( 3.037 -0.143 3.557) 4.680 17.488 ( 14.614 0.401 -8.576) 16.949 17.919 ( -1.952 -7.257 4.719) 8.874 18.376 ( -2.137 -7.071 5.800) 9.392 20.413 ( -6.433 1.242 1.332) 6.685 20.791 ( 3.591 -1.119 18.265) 18.649 21.610 ( -20.094 -2.444 -7.788) 21.688 25.069 ( -0.182 -13.866 -2.348) 14.064 26.120 ( 3.918 5.329 -5.080) 8.340 26.808 ( -5.148 4.687 1.586) 7.140 27.318 ( 1.990 14.079 -2.274) 14.400 ======================= Grid point 319 (150/227) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -2.636 -6.775 12.674) 14.611 3.050 ( -4.546 7.518 20.031) 21.873 3.553 ( -22.795 15.798 13.464) 30.830 3.915 ( 2.073 3.626 -5.451) 6.867 4.715 ( 10.048 3.111 10.533) 14.885 5.130 ( -9.663 -4.355 4.724) 11.604 5.245 ( -0.478 0.546 -3.257) 3.337 5.688 ( -11.959 3.770 8.741) 15.285 6.062 ( -14.761 14.767 -4.812) 21.427 6.679 ( 7.931 0.988 -18.613) 20.256 6.870 ( -7.232 4.116 6.765) 10.725 7.281 ( 6.225 -7.654 -0.954) 9.911 7.848 ( 0.680 -11.189 -6.531) 12.974 8.328 ( 1.196 6.577 -14.440) 15.912 8.412 ( 3.341 12.444 -5.473) 13.999 8.856 ( -2.188 -8.225 11.681) 14.453 9.291 ( -4.874 12.513 6.879) 15.088 9.689 ( 10.684 1.391 -11.114) 15.479 11.213 ( 0.914 1.821 -8.434) 8.677 11.794 ( 15.191 -7.357 -0.684) 16.893 11.989 ( 6.730 -4.588 11.191) 13.841 12.692 ( -6.287 1.962 15.880) 17.191 12.767 ( 10.706 -2.552 -5.519) 12.312 13.142 ( 4.504 1.726 3.887) 6.195 13.473 ( 4.434 -8.115 -5.964) 11.004 13.866 ( -0.583 -2.299 -6.849) 7.248 14.200 ( -2.974 0.194 6.923) 7.537 14.424 ( -5.411 -8.931 -0.881) 10.479 14.743 ( -0.869 2.906 -2.782) 4.116 15.129 ( 4.135 1.296 -1.949) 4.752 15.254 ( -5.628 -4.744 -9.510) 12.026 15.588 ( 0.743 1.570 -1.256) 2.143 16.131 ( 5.625 2.776 -5.618) 8.421 16.799 ( 8.321 -3.490 -0.609) 9.044 17.353 ( 5.791 -7.215 4.891) 10.465 17.637 ( 1.162 -0.730 -2.852) 3.165 18.037 ( 12.209 -0.673 5.334) 13.340 18.401 ( -3.331 -6.955 6.952) 10.383 20.255 ( -8.462 1.931 0.450) 8.691 20.880 ( 1.609 -1.009 20.466) 20.554 21.224 ( -23.361 -1.087 -9.938) 25.411 25.262 ( 0.945 -22.649 -2.595) 22.817 26.137 ( 6.327 8.261 -5.376) 11.712 26.663 ( -5.586 4.572 1.545) 7.382 27.141 ( -2.667 20.246 -5.049) 21.036 ======================= Grid point 320 (151/227) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 2.766 -9.543 15.767) 18.637 2.880 ( -2.536 13.292 24.761) 28.217 3.188 ( -5.061 4.956 18.254) 19.580 3.904 ( 1.070 3.432 -8.908) 9.606 4.904 ( 13.231 -0.245 9.367) 16.213 5.041 ( -5.425 -3.759 10.353) 12.278 5.185 ( -6.893 -0.938 4.320) 8.189 5.340 ( -19.875 8.423 20.465) 29.745 5.733 ( -5.752 10.150 -8.497) 14.433 6.378 ( -28.124 5.170 29.020) 40.741 6.917 ( 6.370 2.258 -33.209) 33.890 7.505 ( 7.697 -6.644 -3.261) 10.678 8.016 ( 2.734 -15.597 -11.141) 19.362 8.181 ( -7.645 4.147 -11.996) 14.817 8.410 ( 11.680 16.076 -17.525) 26.495 8.941 ( 1.583 -9.453 7.544) 12.197 9.140 ( -0.820 8.319 9.924) 12.976 9.829 ( 6.573 1.103 -13.596) 15.141 11.213 ( 0.866 0.885 -7.054) 7.162 12.098 ( 8.069 -5.780 13.734) 16.945 12.197 ( 15.788 0.482 -0.611) 15.808 12.582 ( -5.375 -1.403 11.464) 12.739 12.941 ( 6.359 -1.044 -4.417) 7.813 13.189 ( 3.310 1.534 1.939) 4.131 13.624 ( 3.175 -6.004 -6.269) 9.243 13.847 ( -3.380 -1.415 -2.745) 4.579 14.120 ( -3.093 3.596 6.357) 7.932 14.446 ( -1.663 -6.710 -2.022) 7.203 14.718 ( 2.269 3.143 -5.573) 6.788 15.145 ( -7.206 -1.079 -6.138) 9.527 15.177 ( 0.068 -0.843 -5.219) 5.287 15.584 ( 0.046 1.217 -0.026) 1.218 16.210 ( 4.322 0.193 -7.998) 9.093 17.016 ( 12.514 -2.384 -1.294) 12.805 17.440 ( -9.108 -4.973 2.299) 10.629 17.661 ( 1.765 -5.192 4.403) 7.033 18.347 ( 24.064 3.173 9.021) 25.895 18.429 ( 0.080 -5.349 4.733) 7.143 20.109 ( -5.922 1.303 1.530) 6.253 20.596 ( -29.751 -1.064 -0.226) 29.771 21.120 ( 7.179 0.463 7.323) 10.266 25.561 ( 0.490 -31.253 -1.315) 31.285 26.166 ( 11.861 17.193 -5.981) 21.727 26.525 ( -8.701 -0.489 0.501) 8.729 26.795 ( -10.141 22.086 -3.633) 24.573 ======================= Grid point 322 (152/227) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 16.083 -0.000 7.885) 17.912 3.087 ( 12.064 -0.000 14.592) 18.933 3.181 ( -4.423 0.000 12.691) 13.440 3.979 ( 3.717 -0.000 -8.831) 9.581 4.787 ( -5.224 0.000 29.540) 29.998 4.805 ( -6.621 0.000 10.787) 12.656 5.121 ( 12.790 -0.000 5.443) 13.900 5.147 ( 5.647 -0.000 16.647) 17.578 5.704 ( 4.920 -0.000 -12.539) 13.469 5.829 ( 13.031 -0.000 7.364) 14.968 7.019 ( 2.216 -0.000 4.326) 4.861 7.430 ( -11.994 0.000 -5.190) 13.069 7.700 ( -8.157 0.000 -3.533) 8.889 8.010 ( -1.795 0.000 5.582) 5.864 8.787 ( 9.107 -0.000 -22.567) 24.336 9.061 ( -5.378 0.000 13.058) 14.122 9.548 ( 4.509 -0.000 -17.312) 17.890 9.858 ( -0.667 0.000 -15.189) 15.204 11.154 ( -3.553 0.000 -5.752) 6.761 12.022 ( -13.520 0.000 -10.224) 16.951 12.130 ( -3.090 0.000 16.859) 17.140 12.512 ( -15.172 0.000 4.393) 15.795 13.242 ( 15.605 -0.000 -4.326) 16.193 13.273 ( -13.675 0.000 -0.289) 13.678 13.642 ( 2.462 -0.000 -0.952) 2.640 13.697 ( 7.101 -0.000 -10.151) 12.388 14.211 ( 8.592 -0.000 10.484) 13.555 14.527 ( -10.727 0.000 -5.553) 12.079 14.882 ( 10.302 -0.000 -12.144) 15.925 14.928 ( -3.320 0.000 1.892) 3.821 15.167 ( 3.404 -0.000 -6.125) 7.007 15.423 ( -9.109 0.000 5.855) 10.829 16.275 ( 0.161 -0.000 -13.910) 13.911 16.885 ( -1.543 0.000 -1.921) 2.464 17.331 ( -12.684 0.000 8.514) 15.276 17.521 ( 0.414 -0.000 3.752) 3.774 18.040 ( -23.235 0.000 7.151) 24.311 18.676 ( 3.807 -0.000 -0.106) 3.809 20.064 ( 3.844 -0.000 8.249) 9.100 20.724 ( 10.280 -0.000 12.229) 15.976 21.757 ( 15.755 -0.000 -22.299) 27.303 25.180 ( -18.981 0.000 12.763) 22.873 25.932 ( 5.147 -0.000 -1.796) 5.451 26.701 ( 7.197 -0.000 1.243) 7.304 26.744 ( 8.024 -0.000 1.626) 8.187 ======================= Grid point 323 (153/227) ======================= q-point: ( 0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 2.515 16.817 4.810) 17.671 3.219 ( 8.916 0.691 21.384) 23.179 3.537 ( 14.851 -15.745 -3.115) 21.866 4.035 ( 1.178 -0.776 -8.498) 8.614 4.702 ( -3.114 0.944 12.496) 12.913 4.843 ( 7.460 -6.864 13.368) 16.778 5.275 ( 11.441 1.821 14.151) 18.289 5.387 ( 8.730 -5.107 2.156) 10.341 5.739 ( 5.600 9.031 -11.832) 15.903 6.096 ( 6.936 -13.883 -1.739) 15.617 7.168 ( 8.962 -9.309 19.448) 23.349 7.221 ( -11.107 -0.961 -4.252) 11.932 7.579 ( -4.889 -0.463 -1.564) 5.154 7.961 ( -3.460 1.087 1.149) 3.804 8.902 ( -10.670 1.589 14.008) 17.680 8.929 ( 6.743 1.438 -18.423) 19.671 9.554 ( 0.850 2.536 -14.109) 14.360 9.890 ( 1.235 -3.638 -12.403) 12.985 11.071 ( -6.309 0.036 -4.986) 8.041 11.772 ( -10.149 4.735 -11.810) 16.276 12.051 ( -10.484 -4.408 18.087) 21.366 12.306 ( -7.123 1.438 1.819) 7.491 13.040 ( -11.599 0.755 1.814) 11.764 13.375 ( 6.141 12.987 -4.195) 14.966 13.655 ( -0.836 -8.921 -9.237) 12.868 13.889 ( 12.898 5.339 -9.936) 17.135 14.336 ( -6.552 -0.208 3.242) 7.313 14.381 ( 5.985 0.555 5.445) 8.110 14.813 ( -7.273 1.636 3.409) 8.198 15.012 ( 6.881 4.523 -8.269) 11.670 15.200 ( -8.661 2.320 3.322) 9.562 15.330 ( 5.012 -7.087 -6.740) 10.990 16.309 ( 3.803 -1.010 -15.872) 16.353 16.875 ( 0.797 4.790 -4.116) 6.366 17.111 ( -12.037 -1.975 5.959) 13.575 17.410 ( -10.111 3.622 3.759) 11.379 17.752 ( -11.211 -3.158 10.292) 15.542 18.693 ( 1.333 5.690 1.646) 6.071 20.149 ( 4.999 -0.388 11.752) 12.777 20.821 ( -0.512 -3.799 12.133) 12.724 21.945 ( 10.904 7.101 -19.441) 23.394 24.940 ( -7.181 1.254 8.518) 11.212 26.055 ( 5.146 -3.244 -2.329) 6.513 26.790 ( 6.459 2.693 0.641) 7.027 26.953 ( 6.661 -10.824 2.530) 12.959 ======================= Grid point 324 (154/227) ======================= q-point: ( 0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -0.959 14.639 2.851) 14.945 3.353 ( 4.413 -1.369 10.117) 11.122 3.873 ( 9.372 -1.368 -2.715) 9.852 4.067 ( 4.859 -2.482 -11.001) 12.280 4.690 ( 0.710 -4.787 8.799) 10.041 5.104 ( 10.225 -3.708 6.212) 12.525 5.493 ( 12.328 0.708 -3.000) 12.708 5.541 ( 7.048 -2.047 8.805) 11.462 5.722 ( 5.010 6.564 -3.385) 8.924 6.346 ( 4.164 -16.299 -2.842) 17.061 7.071 ( -7.416 -1.444 -4.159) 8.624 7.322 ( -1.871 -0.264 8.971) 9.168 7.695 ( 9.806 -12.423 8.612) 18.018 7.869 ( -7.466 -4.892 0.805) 8.962 8.717 ( -8.071 0.906 13.974) 16.163 8.968 ( 2.363 4.651 -14.810) 15.702 9.581 ( 6.141 2.424 -10.268) 12.207 9.945 ( 1.346 -2.022 -6.525) 6.963 10.924 ( -9.645 0.485 -4.791) 10.780 11.615 ( -2.283 3.881 -9.687) 10.682 11.887 ( -13.841 -6.546 13.585) 20.469 12.194 ( -4.808 2.087 3.823) 6.487 12.886 ( -3.893 2.389 1.477) 4.801 13.267 ( -1.391 11.947 -3.848) 12.628 13.717 ( -1.168 -2.931 -9.525) 10.034 13.964 ( 4.298 10.892 -6.742) 13.512 14.245 ( -2.685 -0.720 1.608) 3.211 14.450 ( -0.064 -0.896 0.249) 0.932 14.719 ( -1.143 0.665 6.917) 7.043 14.963 ( -4.692 5.895 3.368) 8.253 15.104 ( 1.160 0.467 -1.356) 1.845 15.526 ( 6.913 -6.184 -13.659) 16.510 16.422 ( 6.859 -2.286 -16.905) 18.386 16.746 ( -6.515 6.457 0.227) 9.176 16.973 ( -8.005 0.258 -0.036) 8.009 17.245 ( -3.698 -0.715 3.867) 5.398 17.654 ( -7.866 -7.157 10.596) 15.013 18.613 ( -0.713 9.942 3.202) 10.470 20.237 ( 3.556 -1.677 14.227) 14.760 20.822 ( -4.114 -4.967 9.035) 11.100 22.005 ( 4.586 6.174 -12.158) 14.387 24.873 ( -1.736 -0.854 3.538) 4.033 26.154 ( 5.230 1.589 -3.451) 6.464 26.873 ( 3.302 -1.852 0.884) 3.888 27.172 ( 6.922 -8.099 2.058) 10.851 ======================= Grid point 325 (155/227) ======================= q-point: ( 0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -4.061 11.717 1.372) 12.476 3.392 ( -1.627 -1.383 4.414) 4.903 3.934 ( 3.740 2.241 -8.155) 9.247 4.193 ( 6.258 3.078 -3.993) 8.036 4.859 ( 5.952 -12.961 -1.277) 14.320 5.195 ( 5.245 9.386 4.430) 11.629 5.519 ( -2.150 6.236 -7.159) 9.735 5.673 ( 6.269 -2.402 1.013) 6.789 5.947 ( 15.189 -4.137 4.553) 16.388 6.584 ( 6.608 -10.991 2.775) 13.121 6.961 ( -5.990 1.572 -0.869) 6.253 7.287 ( -1.048 -2.243 1.070) 2.697 7.687 ( -10.919 -4.863 1.980) 12.116 8.050 ( 2.436 -16.178 6.225) 17.504 8.638 ( 1.682 2.081 12.136) 12.428 8.949 ( 4.741 10.191 -12.394) 16.732 9.686 ( 4.964 1.139 -4.114) 6.547 9.975 ( 2.782 0.245 -1.384) 3.116 10.773 ( -6.601 -1.580 -5.854) 8.963 11.580 ( 0.243 1.360 -1.397) 1.965 11.731 ( -10.611 -4.006 7.527) 13.612 12.118 ( -2.438 -2.344 -0.386) 3.404 12.855 ( 3.847 3.871 2.202) 5.885 13.115 ( -3.803 7.619 -0.047) 8.516 13.633 ( -7.756 4.212 -1.308) 8.923 13.877 ( 1.187 10.486 -7.913) 13.190 14.167 ( -6.116 0.023 5.014) 7.908 14.524 ( 4.999 -5.279 -12.981) 14.878 14.661 ( -6.016 1.079 7.910) 9.996 14.902 ( 1.146 -0.021 6.402) 6.503 15.131 ( 3.606 2.833 -1.965) 4.989 15.653 ( 2.034 -3.319 -14.427) 14.943 16.470 ( -3.035 4.641 -6.886) 8.841 16.659 ( 0.344 0.179 -2.423) 2.454 16.874 ( 1.183 -2.630 -7.066) 7.632 17.253 ( 0.966 -1.090 2.163) 2.607 17.619 ( -7.670 -11.735 10.373) 17.439 18.488 ( -0.976 10.259 4.282) 11.160 20.315 ( 1.768 -4.160 13.688) 14.415 20.792 ( -4.763 -3.761 7.604) 9.729 21.971 ( -3.497 2.385 -7.480) 8.595 24.869 ( -0.489 -1.246 1.080) 1.720 26.207 ( 5.313 5.392 -4.439) 8.775 26.934 ( 0.851 -2.570 1.827) 3.266 27.354 ( 7.141 -3.199 0.770) 7.863 ======================= Grid point 326 (156/227) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -6.398 7.095 1.620) 9.691 3.336 ( -4.848 0.297 5.226) 7.134 3.987 ( 5.442 4.409 -7.180) 10.031 4.270 ( 7.036 1.322 -4.065) 8.232 5.039 ( -1.726 -12.134 -8.018) 14.646 5.118 ( -3.354 11.032 7.155) 13.570 5.404 ( 0.608 11.795 -1.479) 11.903 5.808 ( 7.728 -0.591 1.794) 7.955 6.178 ( 4.661 -6.615 -9.857) 12.753 6.759 ( 2.281 -2.042 7.248) 7.868 6.841 ( 0.059 5.075 -1.866) 5.408 7.348 ( 2.637 -4.627 1.024) 5.423 7.581 ( -8.346 -7.590 6.277) 12.910 8.161 ( -2.370 -9.444 2.726) 10.111 8.726 ( 8.071 3.373 12.534) 15.285 8.912 ( 6.769 15.015 -9.797) 19.164 9.643 ( -3.028 5.226 -2.560) 6.560 10.035 ( 0.786 3.072 -2.959) 4.337 10.788 ( 4.904 -7.421 -3.862) 9.697 11.586 ( -1.509 -5.940 8.663) 10.611 11.595 ( -5.467 3.333 0.176) 6.406 12.191 ( 4.917 -7.098 -8.077) 11.823 12.925 ( 6.859 2.922 2.539) 7.876 12.994 ( -3.383 2.463 5.681) 7.055 13.417 ( -8.418 6.386 7.723) 13.088 13.813 ( 1.597 6.317 -13.104) 14.635 14.081 ( -6.891 -5.528 4.370) 9.856 14.530 ( -7.561 -0.826 3.845) 8.522 14.676 ( 5.640 -3.480 -12.791) 14.406 14.945 ( 2.131 -1.812 7.747) 8.237 15.169 ( 3.875 2.674 -2.159) 5.179 15.668 ( -2.511 -1.888 -12.615) 13.000 16.349 ( -1.823 7.358 -3.317) 8.274 16.611 ( -3.088 0.067 0.672) 3.161 17.096 ( 13.806 -7.213 -14.432) 21.235 17.269 ( 0.579 0.649 1.927) 2.114 17.623 ( -8.237 -14.747 10.149) 19.706 18.391 ( 0.441 7.107 5.020) 8.712 20.387 ( -0.118 -5.820 9.017) 10.733 20.741 ( -4.183 -2.183 10.482) 11.495 21.824 ( -12.740 -1.128 -5.411) 13.887 24.874 ( -0.649 -1.612 0.189) 1.748 26.232 ( 5.190 7.004 -5.118) 10.109 26.951 ( -0.519 0.145 3.057) 3.104 27.483 ( 6.995 2.175 -1.365) 7.451 ======================= Grid point 327 (157/227) ======================= q-point: (-0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -7.626 1.990 2.317) 8.214 3.251 ( -2.842 2.176 10.213) 10.822 4.015 ( 4.531 6.460 -2.802) 8.373 4.338 ( -2.288 5.418 -7.078) 9.203 4.863 ( -3.994 15.356 18.090) 24.062 5.072 ( -7.481 -10.311 -8.169) 15.133 5.317 ( 1.538 7.553 -3.193) 8.343 5.917 ( 5.425 5.054 6.432) 9.815 6.277 ( -0.397 -8.000 -20.141) 21.676 6.676 ( -2.943 4.878 -0.840) 5.759 6.936 ( 8.931 3.006 2.996) 9.888 7.382 ( -1.429 4.634 3.866) 6.201 7.551 ( -4.879 -9.629 4.956) 11.877 8.245 ( 2.610 -8.070 1.478) 8.609 8.738 ( 1.568 10.506 5.725) 12.067 8.891 ( 5.453 11.863 2.238) 13.246 9.602 ( 4.719 3.325 -8.876) 10.588 9.869 ( -8.078 12.108 -2.004) 14.693 11.056 ( 11.912 -10.135 -2.986) 15.923 11.493 ( -1.356 2.380 -3.716) 4.616 11.673 ( 1.911 -9.527 10.491) 14.300 12.401 ( 9.867 -7.468 -10.219) 16.048 12.881 ( -5.094 1.856 9.411) 10.861 13.061 ( 6.346 -0.905 3.288) 7.204 13.275 ( -2.274 1.276 7.602) 8.037 13.799 ( 1.846 1.554 -13.042) 13.264 14.040 ( -6.816 -9.391 5.046) 12.653 14.420 ( -6.357 -1.444 1.277) 6.643 14.761 ( 0.812 -2.123 -6.994) 7.354 15.033 ( 5.159 -2.517 1.986) 6.074 15.196 ( 1.297 1.217 -2.125) 2.771 15.628 ( -2.871 -1.099 -8.561) 9.096 16.263 ( 0.793 7.667 -4.676) 9.016 16.600 ( 1.203 -2.118 0.561) 2.500 17.262 ( 1.421 2.190 3.805) 4.615 17.420 ( 12.756 -6.630 -14.530) 20.440 17.639 ( -7.874 -17.161 9.640) 21.199 18.361 ( 2.125 3.629 6.305) 7.579 20.397 ( -5.089 -2.994 1.025) 5.993 20.736 ( 0.637 -3.896 17.592) 18.030 21.547 ( -21.482 -3.399 -4.962) 22.308 24.884 ( -1.092 -3.725 -0.185) 3.886 26.245 ( 4.757 6.987 -5.344) 10.000 26.914 ( -0.921 4.490 4.092) 6.145 27.546 ( 5.951 7.782 -4.651) 10.845 ======================= Grid point 328 (158/227) ======================= q-point: (-0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -5.791 -3.381 3.637) 7.628 3.207 ( 1.874 5.708 15.985) 17.076 3.939 ( -21.765 19.208 8.331) 30.200 4.018 ( 3.805 6.567 -3.773) 8.476 4.832 ( 9.169 7.672 10.639) 16.004 5.017 ( -6.518 -4.612 -3.372) 8.668 5.284 ( -0.120 3.447 2.638) 4.342 5.849 ( -4.880 9.992 14.273) 18.093 6.281 ( -5.511 2.599 -14.762) 15.970 6.659 ( 4.269 -2.134 -13.829) 14.629 6.991 ( 2.434 8.706 5.180) 10.419 7.255 ( -2.588 5.997 3.854) 7.584 7.609 ( -1.610 -11.860 -1.836) 12.109 8.411 ( 7.924 -3.861 -4.362) 9.835 8.609 ( -4.611 7.657 -2.071) 9.175 8.835 ( 1.952 10.459 6.496) 12.466 9.545 ( -7.364 10.949 -0.295) 13.198 9.750 ( 9.445 4.810 -8.562) 13.625 11.253 ( 3.148 1.037 -5.654) 6.554 11.609 ( 11.635 -9.872 -0.858) 15.283 11.839 ( 5.689 -9.342 9.733) 14.641 12.643 ( 6.404 -5.852 -6.472) 10.823 12.771 ( -2.331 1.952 9.845) 10.304 13.161 ( 3.659 -1.225 0.713) 3.924 13.314 ( 3.254 -5.017 2.685) 6.555 13.828 ( 1.082 -1.159 -9.985) 10.110 14.041 ( -5.795 -11.935 5.603) 14.402 14.344 ( -4.104 -1.770 -1.204) 4.628 14.770 ( -0.016 0.053 -3.120) 3.121 15.124 ( -1.647 -5.584 -4.497) 7.357 15.189 ( 0.849 2.406 -1.704) 3.068 15.608 ( 0.350 0.131 -2.847) 2.872 16.217 ( 1.724 4.903 -5.880) 7.848 16.706 ( 7.111 -4.137 -0.546) 8.245 17.281 ( 2.205 -0.110 4.407) 4.929 17.538 ( -5.831 -8.329 3.365) 10.710 17.836 ( 8.676 -15.527 -4.902) 18.450 18.387 ( 5.130 3.305 8.682) 10.612 20.288 ( -7.450 0.979 -0.377) 7.524 20.817 ( -0.805 -5.047 17.419) 18.153 21.172 ( -22.998 -4.262 -3.566) 23.660 24.926 ( -1.247 -8.916 -0.347) 9.009 26.253 ( 3.736 5.358 -4.902) 8.167 26.835 ( 0.034 9.058 4.487) 10.109 27.511 ( 2.604 14.424 -8.998) 17.199 ======================= Grid point 329 (159/227) ======================= q-point: (-0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -1.619 -8.592 6.028) 10.620 3.183 ( 5.049 12.113 20.675) 24.488 3.412 ( -13.558 16.535 16.606) 27.074 4.012 ( 3.420 6.530 -7.667) 10.636 4.926 ( 4.883 0.542 1.047) 5.023 4.965 ( -0.747 0.331 9.204) 9.240 5.216 ( -3.328 3.915 11.534) 12.627 5.562 ( -14.200 11.870 20.813) 27.852 6.056 ( -4.818 17.833 -5.114) 19.167 6.560 ( -17.324 10.125 10.899) 22.834 7.005 ( 8.816 5.770 -27.222) 29.190 7.284 ( 5.756 -10.425 2.709) 12.212 7.725 ( -0.077 -12.441 -7.843) 14.706 8.342 ( -7.814 11.114 -12.196) 18.257 8.676 ( 11.846 -4.241 -3.814) 13.147 8.763 ( -0.240 6.094 3.525) 7.044 9.330 ( -4.282 9.944 4.479) 11.717 9.872 ( 7.924 2.930 -10.758) 13.678 11.248 ( 0.426 2.488 -7.319) 7.742 11.936 ( 9.405 -10.223 12.492) 18.683 12.100 ( 14.590 -9.556 -0.640) 17.453 12.575 ( -8.424 1.057 9.318) 12.605 12.899 ( 6.741 -2.810 -4.803) 8.741 13.217 ( 2.131 -0.276 -2.038) 2.962 13.454 ( 4.122 -8.053 0.323) 9.052 13.824 ( -2.739 -0.832 -6.103) 6.741 14.082 ( -3.147 -9.227 5.518) 11.203 14.330 ( 0.588 -2.961 -4.352) 5.297 14.774 ( 1.775 1.768 -3.461) 4.273 15.081 ( -7.728 -4.840 -6.047) 10.942 15.180 ( -0.259 1.290 -2.375) 2.715 15.618 ( 0.996 1.608 0.429) 1.940 16.222 ( 2.356 1.037 -7.509) 7.938 16.914 ( 9.294 -6.851 -0.358) 11.552 17.310 ( -4.616 -5.340 3.596) 7.922 17.529 ( -1.865 -6.698 7.793) 10.444 18.130 ( 4.731 -16.198 -4.341) 17.424 18.507 ( 14.632 4.988 10.732) 18.818 20.152 ( -5.347 2.583 0.943) 6.012 20.564 ( -26.789 -1.566 0.138) 26.835 21.090 ( 3.728 -4.832 12.051) 13.508 25.037 ( -1.291 -17.046 0.338) 17.098 26.265 ( 1.723 1.403 -3.553) 4.191 26.743 ( 2.988 13.280 3.859) 14.148 27.305 ( -4.399 23.378 -12.338) 26.798 ======================= Grid point 330 (160/227) ======================= q-point: (-0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 2.703 -13.643 11.050) 17.763 3.129 ( 7.269 19.465 21.873) 30.169 3.217 ( 1.595 3.037 15.446) 15.822 3.993 ( 2.551 7.417 -11.061) 13.560 4.877 ( -7.956 -0.974 16.633) 18.463 5.032 ( -1.846 -2.061 8.499) 8.938 5.152 ( 2.691 5.659 11.712) 13.282 5.227 ( -4.187 9.045 19.693) 22.072 5.780 ( -9.388 15.272 6.152) 18.953 6.048 ( -16.861 19.130 8.981) 27.035 7.034 ( 4.056 6.680 -19.452) 20.963 7.548 ( 6.261 -8.193 -4.158) 11.118 7.854 ( -1.721 -16.221 -8.319) 18.311 8.094 ( -8.477 6.818 -6.302) 12.572 8.695 ( 1.188 7.810 -11.061) 13.593 8.959 ( 12.805 -6.110 -6.258) 15.507 9.205 ( 0.268 5.049 6.169) 7.976 9.939 ( 3.855 4.124 -13.954) 15.053 11.230 ( -0.258 1.230 -6.457) 6.578 12.122 ( 1.702 -6.608 15.330) 16.780 12.416 ( -8.053 1.327 4.300) 9.225 12.502 ( 18.261 -9.488 -2.525) 20.733 12.949 ( -4.763 -1.824 -1.272) 5.257 13.269 ( 4.935 -0.818 -3.542) 6.129 13.570 ( -1.421 -5.957 -1.056) 6.214 13.772 ( -2.901 -0.567 -2.486) 3.862 14.090 ( -1.468 -0.736 7.155) 7.341 14.444 ( 6.893 -5.872 -9.245) 12.941 14.786 ( 1.297 2.210 -7.377) 7.809 14.983 ( -6.147 -1.051 -2.566) 6.744 15.167 ( -1.112 -1.663 -2.283) 3.035 15.595 ( -1.406 2.038 1.109) 2.713 16.260 ( 2.034 -0.305 -10.173) 10.379 17.086 ( -5.681 -9.983 3.095) 11.896 17.269 ( 2.802 -1.678 1.572) 3.625 17.580 ( -3.250 -6.397 8.599) 11.200 18.335 ( 2.284 -13.738 -1.490) 14.006 18.717 ( 5.641 1.258 7.392) 9.383 20.078 ( -0.717 2.565 1.933) 3.290 20.214 ( -5.727 1.133 0.920) 5.910 21.237 ( 6.925 -4.721 7.749) 11.414 25.224 ( -3.197 -25.374 2.757) 25.722 26.273 ( -3.350 -3.427 -1.495) 5.020 26.672 ( 7.887 19.703 1.116) 21.252 26.880 ( -9.688 29.050 -8.502) 31.782 ======================= Grid point 333 (161/227) ======================= q-point: ( 0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.053 ( -4.082 0.000 6.482) 7.661 3.354 ( 1.541 -0.000 5.678) 5.884 3.850 ( 26.520 -0.000 -3.673) 26.773 4.026 ( -1.634 0.000 -6.390) 6.596 4.652 ( -3.211 0.000 1.825) 3.693 5.030 ( 16.836 -0.000 12.760) 21.125 5.512 ( 14.362 -0.000 19.376) 24.118 5.517 ( 8.683 -0.000 -8.890) 12.427 5.987 ( 12.401 -0.000 -2.429) 12.636 5.998 ( -4.709 0.000 -8.615) 9.818 7.053 ( -6.780 0.000 -6.440) 9.351 7.292 ( 5.445 -0.000 17.144) 17.987 7.548 ( 4.608 -0.000 7.310) 8.641 7.834 ( -12.089 0.000 -2.055) 12.262 8.729 ( -7.979 0.000 14.850) 16.857 9.015 ( 2.961 -0.000 -14.332) 14.634 9.625 ( 7.304 -0.000 -12.195) 14.215 9.913 ( 2.399 -0.000 -8.666) 8.992 10.931 ( -9.746 0.000 -4.990) 10.949 11.677 ( -2.528 0.000 -18.654) 18.825 11.791 ( -15.032 0.000 23.713) 28.076 12.218 ( -6.079 0.000 6.635) 8.999 12.910 ( -3.263 0.000 1.674) 3.667 13.462 ( -7.804 0.000 -11.278) 13.715 13.605 ( 4.413 -0.000 -6.802) 8.108 14.143 ( 12.254 -0.000 -14.656) 19.103 14.187 ( -7.449 0.000 3.624) 8.284 14.443 ( -3.232 0.000 6.520) 7.278 14.732 ( -1.537 0.000 10.405) 10.518 15.032 ( -10.312 0.000 9.918) 14.307 15.151 ( 5.202 -0.000 -8.465) 9.936 15.420 ( 8.978 -0.000 -14.819) 17.327 16.391 ( 6.433 -0.000 -18.011) 19.126 16.863 ( -12.618 0.000 4.427) 13.372 16.920 ( -2.405 0.000 -7.826) 8.187 17.242 ( -7.307 0.000 4.617) 8.643 17.578 ( -8.411 0.000 11.854) 14.535 18.729 ( -0.907 0.000 4.556) 4.646 20.214 ( 1.926 -0.000 14.349) 14.478 20.764 ( -2.896 0.000 9.695) 10.118 22.080 ( 1.471 -0.000 -14.774) 14.847 24.865 ( -1.996 0.000 4.290) 4.731 26.160 ( 7.629 -0.000 -0.616) 7.654 26.897 ( 1.646 -0.000 2.557) 3.041 27.045 ( 11.871 -0.000 -0.472) 11.880 ======================= Grid point 334 (162/227) ======================= q-point: ( 0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -6.175 7.808 -2.154) 10.185 3.343 ( -3.522 -2.632 5.128) 6.755 3.993 ( 1.958 2.674 -4.730) 5.776 4.268 ( 16.989 2.575 -5.373) 18.003 4.626 ( -1.401 -7.220 -5.187) 9.000 5.324 ( 14.562 0.851 9.940) 17.652 5.674 ( 5.854 10.572 -4.082) 12.756 5.711 ( 12.025 3.129 -0.524) 12.436 5.889 ( 3.289 -2.152 5.054) 6.403 6.319 ( 13.973 -11.957 5.030) 19.066 6.980 ( -2.067 0.416 -6.328) 6.670 7.271 ( -4.881 0.331 4.970) 6.973 7.576 ( -17.118 -4.151 -0.306) 17.616 7.750 ( 7.818 -9.379 8.976) 15.155 8.669 ( 1.130 0.782 12.390) 12.466 9.080 ( 7.255 2.727 -10.342) 12.924 9.770 ( 10.069 5.433 -7.215) 13.526 9.949 ( 1.154 -2.880 -4.093) 5.136 10.757 ( -8.901 -0.192 -5.795) 10.623 11.549 ( -12.588 -1.901 21.454) 24.947 11.705 ( 4.091 -0.077 -17.768) 18.233 12.093 ( -7.631 -0.364 7.869) 10.968 12.912 ( 3.440 1.425 2.802) 4.660 13.274 ( -7.877 6.156 -9.095) 13.516 13.628 ( -4.751 -2.849 -4.799) 7.329 14.064 ( -2.323 5.577 -2.205) 6.432 14.243 ( -5.424 6.376 4.624) 9.563 14.392 ( 3.188 -6.854 -11.885) 14.085 14.709 ( -2.834 2.476 11.042) 11.666 14.892 ( -4.799 -1.020 8.767) 10.046 15.205 ( 4.020 3.193 -4.539) 6.853 15.572 ( 4.664 -3.277 -15.793) 16.790 16.508 ( 4.519 -0.542 -16.233) 16.859 16.681 ( -4.068 1.993 1.210) 4.689 16.815 ( -7.675 -2.272 -8.963) 12.016 17.225 ( 2.406 -1.262 2.550) 3.726 17.449 ( -8.941 -4.072 13.026) 16.315 18.666 ( -2.804 5.322 6.771) 9.057 20.227 ( -1.779 -3.091 13.680) 14.137 20.733 ( -2.310 -1.580 9.254) 9.668 22.018 ( -6.893 1.571 -9.449) 11.801 24.860 ( 0.849 0.021 0.659) 1.075 26.287 ( 7.442 1.868 -0.435) 7.685 26.913 ( 1.357 0.404 2.338) 2.733 27.277 ( 11.544 -3.104 -1.291) 12.023 ======================= Grid point 335 (163/227) ======================= q-point: ( 0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.697 ( -8.236 10.108 -4.031) 13.647 3.301 ( -5.138 -3.743 4.094) 7.561 4.052 ( 7.110 1.461 -6.202) 9.547 4.353 ( 3.554 6.530 -3.523) 8.227 4.754 ( -0.051 -12.676 -8.259) 15.129 5.422 ( 1.235 14.527 5.192) 15.476 5.622 ( 7.201 6.706 -0.063) 9.840 5.876 ( 13.337 9.392 0.900) 16.337 6.037 ( 3.464 -6.822 1.893) 7.882 6.671 ( 10.628 -7.566 6.630) 14.634 6.929 ( -1.156 4.018 -2.576) 4.911 7.230 ( 0.652 -5.657 0.143) 5.697 7.394 ( -11.201 -9.560 5.992) 15.899 7.949 ( 3.618 -9.073 0.478) 9.779 8.749 ( 7.734 -0.046 11.859) 14.158 9.179 ( 9.591 8.565 -10.146) 16.380 9.759 ( -2.225 6.717 -2.510) 7.508 10.067 ( 7.519 -0.245 -1.449) 7.661 10.676 ( -0.934 -3.589 -5.092) 6.300 11.401 ( -9.313 -6.667 20.345) 23.347 11.754 ( 2.217 7.017 -10.080) 12.480 12.042 ( 0.822 -6.884 -4.861) 8.467 12.974 ( 4.089 0.947 3.181) 5.267 13.090 ( -4.524 6.920 -2.017) 8.510 13.508 ( -9.170 0.953 3.324) 9.800 13.971 ( -1.440 6.442 -9.340) 11.437 14.034 ( -10.246 2.477 7.214) 12.774 14.508 ( -1.527 -2.157 -5.401) 6.013 14.615 ( -0.819 -0.530 -2.991) 3.146 14.885 ( -0.779 -4.397 8.009) 9.170 15.237 ( 3.527 3.164 -1.420) 4.946 15.615 ( -2.218 -2.494 -13.014) 13.436 16.469 ( -3.680 3.336 -6.969) 8.558 16.633 ( -0.934 2.797 -0.416) 2.978 16.905 ( 10.033 -9.547 -18.754) 23.314 17.282 ( 2.608 0.309 1.837) 3.205 17.366 ( -8.596 -9.130 13.681) 18.559 18.548 ( -3.020 6.708 8.150) 10.979 20.244 ( -2.197 -6.817 9.795) 12.134 20.703 ( -3.343 -1.407 11.008) 11.590 21.813 ( -15.347 0.074 -5.907) 16.445 24.878 ( 1.601 1.178 -0.856) 2.164 26.370 ( 6.462 5.495 -1.330) 8.587 26.942 ( 1.530 -0.633 3.148) 3.556 27.490 ( 10.412 -0.881 -2.724) 10.798 ======================= Grid point 336 (164/227) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( -8.888 8.342 -4.082) 12.855 3.251 ( -3.508 -2.112 6.887) 8.012 4.155 ( 7.354 6.004 -4.888) 10.678 4.370 ( 0.987 -1.522 -5.591) 5.878 4.827 ( -4.117 -9.453 -6.072) 11.966 5.239 ( -1.552 15.432 11.040) 19.038 5.566 ( 0.753 16.769 1.652) 16.867 6.037 ( 12.340 6.358 3.380) 14.287 6.122 ( -0.902 -5.914 -6.595) 8.904 6.728 ( -4.613 0.591 -0.235) 4.657 6.981 ( 9.440 -0.891 1.727) 9.638 7.348 ( -6.428 -9.517 7.499) 13.716 7.401 ( 8.036 -3.123 0.270) 8.626 8.081 ( 4.432 -4.781 -1.127) 6.617 8.873 ( 4.539 2.736 17.973) 18.738 9.212 ( 8.580 14.971 -11.301) 20.627 9.670 ( 1.120 3.598 -8.171) 8.998 10.073 ( -3.147 7.949 -1.209) 8.635 10.836 ( 10.259 -10.154 -1.284) 14.491 11.388 ( -2.566 -10.347 16.548) 19.685 11.649 ( -4.052 5.131 -4.496) 7.935 12.242 ( 11.145 -7.470 -14.200) 19.536 12.931 ( -5.229 3.257 3.162) 6.924 13.064 ( 4.657 1.976 2.472) 5.631 13.340 ( -6.096 3.282 10.902) 12.914 13.872 ( -9.946 -5.370 7.101) 13.349 13.884 ( -1.124 4.971 -14.311) 15.192 14.401 ( -7.213 0.020 0.462) 7.227 14.686 ( 1.489 -4.781 -9.221) 10.493 14.937 ( -0.516 -6.584 3.392) 7.424 15.259 ( 3.095 3.762 -0.077) 4.872 15.585 ( -2.794 -2.557 -8.333) 9.154 16.364 ( -5.107 1.083 -5.055) 7.267 16.632 ( 6.118 6.202 -3.150) 9.264 17.216 ( 10.818 -12.599 -16.335) 23.294 17.311 ( 2.782 1.357 4.783) 5.697 17.331 ( -7.867 -10.201 9.587) 16.058 18.450 ( -1.302 4.163 8.883) 9.896 20.288 ( -1.867 -7.018 3.592) 8.102 20.660 ( -3.524 -2.867 14.836) 15.516 21.487 ( -22.999 -2.072 -3.803) 23.403 24.884 ( 1.210 2.463 -1.062) 2.942 26.401 ( 5.111 7.643 -2.339) 9.487 26.971 ( 1.709 0.975 4.498) 4.910 27.649 ( 8.733 2.596 -5.267) 10.524 ======================= Grid point 337 (165/227) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.233 ( -7.232 4.698 -3.233) 9.210 3.248 ( 1.200 -1.288 10.281) 10.431 4.173 ( 1.788 7.821 -5.695) 9.838 4.252 ( -11.544 8.661 3.581) 14.870 4.844 ( -1.259 -4.804 -3.596) 6.132 5.128 ( 5.052 12.067 11.959) 17.724 5.427 ( 2.429 12.309 4.785) 13.428 6.061 ( -2.164 10.058 10.560) 14.743 6.168 ( -0.372 -9.081 -11.758) 14.861 6.667 ( 0.588 2.237 -7.246) 7.606 7.185 ( 12.650 2.889 3.187) 13.361 7.301 ( -7.575 -5.160 6.422) 11.191 7.484 ( 1.705 4.198 -2.144) 5.013 8.240 ( 7.689 -6.187 -1.361) 9.963 8.814 ( -2.752 9.564 13.356) 16.657 9.159 ( 4.907 18.233 -6.724) 20.043 9.708 ( 2.074 4.777 -8.482) 9.953 9.886 ( -2.004 7.976 -3.214) 8.829 11.164 ( 12.282 -10.789 0.141) 16.349 11.472 ( 0.350 -3.279 0.650) 3.361 11.615 ( 1.560 -10.669 7.425) 13.091 12.518 ( 10.810 -5.967 -11.944) 17.179 12.805 ( -4.618 2.354 5.603) 7.633 13.118 ( 1.473 -0.833 -0.197) 1.704 13.277 ( 0.904 -0.372 8.066) 8.125 13.802 ( -5.651 -7.830 3.583) 10.300 13.836 ( -2.257 -0.995 -8.980) 9.313 14.294 ( -6.162 -2.461 -2.998) 7.281 14.742 ( 0.830 -2.907 -5.154) 5.976 14.975 ( -4.747 -8.580 -0.833) 9.841 15.263 ( 1.724 4.055 -0.406) 4.425 15.591 ( 1.062 -1.728 -3.218) 3.803 16.277 ( -4.073 -0.134 -4.380) 5.983 16.708 ( 9.230 5.461 -3.435) 11.261 17.272 ( -9.527 -8.853 8.260) 15.407 17.350 ( 2.881 -1.457 8.753) 9.330 17.546 ( 10.487 -11.500 -16.052) 22.358 18.435 ( 2.607 0.657 9.558) 9.929 20.287 ( -3.814 -1.392 -0.937) 4.167 20.681 ( -0.699 -7.496 16.817) 18.425 21.074 ( -26.756 -4.120 -1.637) 27.121 24.872 ( 0.456 2.241 -0.923) 2.467 26.392 ( 3.110 7.868 -2.641) 8.863 26.978 ( 2.133 4.343 5.574) 7.381 27.729 ( 5.936 7.013 -9.082) 12.919 ======================= Grid point 338 (166/227) ======================= q-point: (-0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -2.663 -0.307 -1.368) 3.009 3.311 ( 4.349 0.515 11.460) 12.269 3.791 ( -16.049 17.434 11.572) 26.371 4.182 ( 5.169 9.992 -5.290) 12.432 4.866 ( -1.689 -3.519 -0.837) 3.992 5.091 ( 0.843 7.088 8.778) 11.314 5.385 ( 6.254 13.446 15.045) 21.125 5.803 ( -13.291 11.074 17.258) 24.436 6.280 ( 3.529 -2.679 -14.613) 15.270 6.649 ( -2.446 2.818 -4.757) 6.046 7.183 ( 3.549 10.880 -3.504) 11.969 7.279 ( -1.555 5.927 7.083) 9.366 7.505 ( 3.516 -5.629 -6.065) 8.991 8.441 ( 3.062 -9.686 3.209) 10.653 8.624 ( -3.454 14.550 -8.556) 17.229 9.039 ( 3.818 15.289 1.250) 15.808 9.537 ( -6.683 9.711 1.294) 11.859 9.939 ( 8.047 2.995 -10.325) 13.429 11.307 ( 0.446 2.756 -5.647) 6.300 11.651 ( 7.621 -16.753 8.491) 20.269 11.864 ( 10.585 -12.972 4.027) 17.221 12.583 ( -6.434 -1.430 5.701) 8.714 12.848 ( 7.590 -1.149 -8.197) 11.230 13.144 ( -0.874 -5.079 -4.370) 6.758 13.349 ( 3.845 -3.078 4.065) 6.386 13.803 ( -2.882 -1.395 -6.778) 7.496 13.855 ( 0.395 -10.713 3.818) 11.380 14.247 ( -3.294 -5.132 -5.224) 8.030 14.784 ( 1.736 -1.069 -4.905) 5.312 14.953 ( -6.632 -7.679 -1.108) 10.207 15.228 ( -1.202 3.302 -0.996) 3.652 15.634 ( 1.610 -0.354 0.485) 1.718 16.232 ( -1.404 -0.976 -5.066) 5.347 16.814 ( 4.394 -0.968 0.516) 4.529 17.207 ( -5.848 -6.258 4.606) 9.725 17.425 ( 3.112 -1.812 9.705) 10.351 17.813 ( 5.685 -13.287 -12.019) 18.796 18.541 ( 8.347 -1.878 10.178) 13.296 20.208 ( -3.256 2.718 0.049) 4.241 20.544 ( -22.673 -0.235 0.548) 22.680 20.902 ( 0.147 -12.584 14.219) 18.988 24.866 ( 0.067 -0.798 -0.842) 1.162 26.347 ( 0.384 6.501 -2.028) 6.821 26.962 ( 3.200 7.549 5.962) 10.138 27.688 ( 1.054 13.496 -13.337) 19.004 ======================= Grid point 339 (167/227) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 1.157 -5.151 1.911) 5.614 3.324 ( -1.122 5.945 11.415) 12.919 3.491 ( 3.703 14.605 18.919) 24.186 4.162 ( 4.008 9.435 -9.971) 14.301 4.844 ( -4.837 -2.353 9.953) 11.314 5.021 ( -3.559 1.516 5.764) 6.942 5.350 ( 2.753 13.220 14.870) 20.086 5.460 ( -6.861 12.457 19.397) 24.052 6.189 ( -4.955 20.799 2.650) 21.545 6.445 ( -8.979 14.241 -5.483) 17.706 7.208 ( 3.460 6.939 -4.156) 8.797 7.301 ( 10.310 -8.446 -6.602) 14.873 7.609 ( -0.635 -6.699 -5.681) 8.806 8.293 ( -10.148 10.391 -3.944) 15.050 8.637 ( 1.810 -6.022 -1.329) 6.427 9.038 ( 10.943 9.614 -8.459) 16.844 9.334 ( -6.092 7.190 4.656) 10.511 10.027 ( 6.057 4.006 -11.993) 14.020 11.265 ( -1.310 2.028 -5.854) 6.332 11.909 ( 2.040 -14.140 14.794) 20.567 12.198 ( 7.304 -14.034 -3.126) 16.126 12.497 ( 0.094 0.418 3.315) 3.343 12.906 ( -3.165 -1.359 -3.051) 4.602 13.192 ( 0.010 -6.336 -6.234) 8.889 13.457 ( 2.218 -4.659 1.428) 5.354 13.764 ( -2.164 -0.923 -3.373) 4.112 13.998 ( 3.915 -6.640 3.253) 8.367 14.299 ( 1.880 -8.232 -9.043) 12.372 14.798 ( -2.637 -1.721 -6.876) 7.563 14.949 ( 1.303 -2.572 -0.184) 2.889 15.163 ( -2.784 1.792 -0.404) 3.335 15.629 ( -2.127 0.830 2.087) 3.094 16.247 ( 1.484 -1.324 -7.749) 8.001 16.846 ( -7.477 -10.890 6.529) 14.735 17.227 ( 3.012 -2.007 1.187) 3.809 17.475 ( -1.182 -3.185 8.966) 9.588 18.025 ( 2.683 -14.530 -7.849) 16.731 18.695 ( 1.798 -3.571 9.430) 10.242 20.143 ( -3.272 3.527 1.314) 4.987 20.248 ( -1.225 2.004 1.290) 2.680 21.074 ( 3.467 -10.976 13.016) 17.376 24.902 ( -0.040 -6.463 -0.093) 6.463 26.275 ( -2.309 3.716 -1.123) 4.517 26.941 ( 4.196 9.249 5.671) 11.632 27.464 ( -4.729 22.985 -15.044) 27.875 ======================= Grid point 340 (168/227) ======================= q-point: (-0.10 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 6.599 -11.949 6.425) 15.086 3.274 ( 1.331 4.892 17.585) 18.302 3.484 ( 10.433 15.339 13.593) 22.998 4.110 ( 1.054 8.805 -12.402) 15.246 4.764 ( -4.850 -1.029 25.766) 26.239 4.944 ( -5.348 -1.054 2.589) 6.035 5.145 ( -5.995 6.439 14.412) 16.885 5.466 ( 12.180 9.717 5.697) 16.590 5.753 ( -11.729 26.262 10.735) 30.700 6.186 ( 1.692 20.617 -2.483) 20.834 7.213 ( 5.960 10.308 -1.977) 12.070 7.531 ( -0.812 -5.672 -7.009) 9.053 7.646 ( -3.017 -14.472 -3.554) 15.205 8.049 ( -5.152 9.093 -1.555) 10.566 8.697 ( 1.189 -2.836 -5.835) 6.596 9.101 ( -0.363 4.265 -4.777) 6.414 9.283 ( 7.555 -1.528 -3.148) 8.326 10.047 ( 2.156 6.131 -15.478) 16.787 11.221 ( -2.080 0.998 -5.107) 5.603 11.990 ( -7.450 -9.887 12.430) 17.543 12.256 ( -5.542 -3.883 -4.031) 7.877 12.691 ( 3.374 -8.771 -4.066) 10.239 12.802 ( -1.055 -0.618 5.407) 5.544 13.309 ( 4.308 -7.999 -7.724) 11.925 13.456 ( -6.139 -3.769 2.090) 7.500 13.762 ( 1.501 1.442 -2.327) 3.122 14.103 ( 4.269 -0.994 6.691) 7.999 14.454 ( 2.621 -9.902 -13.303) 16.790 14.751 ( -2.614 -1.739 -5.053) 5.949 15.002 ( 2.467 3.988 -1.276) 4.860 15.133 ( 1.515 -1.398 -1.783) 2.725 15.548 ( -6.085 0.594 3.200) 6.900 16.281 ( 1.095 -0.049 -10.955) 11.010 16.820 ( -7.682 -10.954 4.680) 14.174 17.329 ( 3.203 -5.300 4.321) 7.551 17.445 ( -5.760 -2.900 7.178) 9.650 18.179 ( -4.334 -13.588 -1.444) 14.336 18.612 ( -10.105 -1.076 4.565) 11.140 20.056 ( -0.932 1.659 5.158) 5.498 20.497 ( 24.952 2.810 3.356) 25.333 21.256 ( 5.606 -11.395 4.256) 13.394 24.987 ( -1.773 -11.376 2.820) 11.854 26.192 ( -4.377 1.546 -1.406) 4.851 26.903 ( 1.166 10.523 2.810) 10.954 27.099 ( -1.564 28.759 -8.386) 29.997 ======================= Grid point 344 (169/227) ======================= q-point: ( 0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -8.815 0.000 -8.137) 11.997 3.235 ( -5.339 0.000 5.394) 7.589 4.062 ( 5.371 -0.000 -3.508) 6.414 4.493 ( -6.189 0.000 -11.673) 13.212 4.556 ( 10.161 -0.000 -1.311) 10.245 5.575 ( 9.119 -0.000 3.444) 9.748 5.723 ( -2.110 0.000 -4.121) 4.629 5.923 ( 7.117 -0.000 10.663) 12.820 6.076 ( 21.188 -0.000 -3.396) 21.459 6.515 ( 10.207 -0.000 11.978) 15.737 6.998 ( 3.198 -0.000 -8.123) 8.730 7.154 ( -8.711 0.000 7.851) 11.727 7.270 ( -10.330 0.000 2.733) 10.686 7.848 ( 9.629 -0.000 -1.424) 9.734 8.746 ( 6.309 -0.000 10.701) 12.423 9.262 ( 10.984 -0.000 -7.572) 13.340 9.865 ( -5.655 0.000 -2.295) 6.103 10.039 ( 13.319 -0.000 -2.249) 13.507 10.639 ( -3.577 0.000 -6.224) 7.179 11.330 ( -10.107 0.000 21.363) 23.633 11.858 ( 11.967 -0.000 -20.915) 24.096 11.937 ( -9.580 0.000 7.165) 11.963 12.981 ( 1.801 -0.000 2.000) 2.691 13.190 ( -2.663 0.000 -4.946) 5.618 13.491 ( -9.118 0.000 1.280) 9.207 14.022 ( -8.626 0.000 11.142) 14.091 14.113 ( -7.479 0.000 -9.825) 12.348 14.467 ( 5.998 -0.000 -13.363) 14.647 14.645 ( -7.642 0.000 10.139) 12.696 14.804 ( -3.281 0.000 4.436) 5.518 15.273 ( 2.878 -0.000 -1.227) 3.129 15.588 ( -1.361 0.000 -12.855) 12.927 16.495 ( -7.040 0.000 -7.225) 10.088 16.696 ( 5.885 -0.000 -1.169) 6.000 16.774 ( 6.341 -0.000 -22.173) 23.062 17.256 ( -4.090 0.000 10.795) 11.544 17.295 ( -1.048 0.000 6.341) 6.427 18.624 ( -5.074 0.000 9.499) 10.770 20.163 ( -2.729 0.000 10.128) 10.489 20.688 ( -2.960 0.000 11.131) 11.518 21.817 ( -16.463 0.000 -6.364) 17.651 24.895 ( 2.658 -0.000 -1.580) 3.093 26.431 ( 7.404 -0.000 1.811) 7.622 26.935 ( 1.281 -0.000 1.893) 2.286 27.476 ( 12.198 -0.000 -3.205) 12.612 ======================= Grid point 345 (170/227) ======================= q-point: (-0.60 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( -9.948 6.601 -8.867) 14.872 3.185 ( -2.963 -3.164 5.495) 6.999 4.190 ( 7.966 -1.967 -4.232) 9.233 4.368 ( -5.047 2.046 -11.585) 12.801 4.690 ( 3.053 -3.583 2.100) 5.154 5.467 ( -6.679 6.221 3.033) 9.619 5.877 ( 10.739 8.266 0.712) 13.571 6.012 ( -0.155 -2.963 6.853) 7.467 6.275 ( 12.934 16.627 -0.625) 21.075 6.643 ( -0.796 -11.395 2.181) 11.629 6.953 ( -4.700 1.764 7.471) 9.001 7.133 ( -0.611 -9.643 0.847) 9.699 7.317 ( 11.292 -3.500 3.739) 12.400 8.077 ( 16.592 2.264 -6.982) 18.143 8.872 ( 6.028 -1.498 15.109) 16.335 9.419 ( 9.448 4.786 -8.460) 13.555 9.748 ( -3.567 2.837 -6.139) 7.645 10.206 ( 5.126 4.449 1.031) 6.865 10.662 ( 4.469 -5.632 -3.837) 8.150 11.225 ( -4.596 -4.322 17.784) 18.870 11.741 ( -9.941 2.816 1.122) 10.393 12.120 ( 14.805 -3.554 -19.685) 24.886 12.973 ( -0.876 0.588 -1.847) 2.127 13.174 ( 1.670 7.404 4.856) 9.011 13.345 ( -7.710 -3.360 6.964) 10.919 13.790 ( -15.325 -1.545 14.229) 20.969 14.008 ( -4.049 4.388 -18.628) 19.561 14.441 ( -8.795 3.921 2.909) 10.059 14.579 ( 1.265 -5.230 -6.884) 8.738 14.787 ( -3.426 -5.937 0.818) 6.903 15.324 ( 4.131 2.006 0.238) 4.599 15.542 ( -3.169 -1.283 -7.196) 7.967 16.355 ( -7.933 -0.730 -5.286) 9.561 16.801 ( 10.823 8.440 -8.012) 15.892 16.986 ( 9.288 -8.595 -16.184) 20.544 17.156 ( -6.348 -5.509 12.761) 15.280 17.347 ( 4.133 0.922 2.396) 4.865 18.514 ( -5.937 1.713 11.074) 12.682 20.159 ( -0.199 -3.997 5.738) 6.996 20.623 ( -5.062 -0.813 12.652) 13.652 21.463 ( -23.703 -0.420 -3.850) 24.017 24.937 ( 2.915 1.737 -2.182) 4.034 26.530 ( 5.922 3.833 2.301) 7.420 26.968 ( 2.084 -0.658 1.968) 2.941 27.675 ( 10.546 0.367 -4.956) 11.659 ======================= Grid point 346 (171/227) ======================= q-point: (-0.50 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -8.139 8.199 -7.934) 14.015 3.191 ( -0.073 -3.308 6.988) 7.732 4.231 ( -9.813 -3.930 -8.156) 13.351 4.365 ( 9.603 5.750 -3.318) 11.675 4.765 ( 1.968 -2.700 4.824) 5.868 5.323 ( -2.002 6.412 4.696) 8.196 5.785 ( 1.012 17.642 1.507) 17.735 6.025 ( -2.015 -2.930 6.581) 7.481 6.263 ( -1.897 9.784 4.452) 10.915 6.726 ( 7.288 2.960 -11.384) 13.837 6.957 ( -3.932 -15.262 14.549) 21.449 7.257 ( 5.347 -5.714 2.408) 8.188 7.542 ( 9.036 0.125 -2.618) 9.409 8.312 ( 17.762 11.958 -4.992) 21.986 8.936 ( -0.066 1.300 22.013) 22.052 9.485 ( 7.286 10.902 -10.203) 16.614 9.753 ( 6.346 0.035 -14.766) 16.072 10.086 ( -7.540 11.680 1.111) 13.946 10.903 ( 10.399 -12.653 0.106) 16.379 11.283 ( 2.348 -10.969 13.940) 17.893 11.553 ( -8.778 0.923 -2.248) 9.108 12.410 ( 12.686 -3.850 -15.232) 20.194 12.908 ( -3.012 7.217 2.663) 8.261 13.126 ( 1.532 0.673 0.504) 1.747 13.277 ( -4.280 0.544 10.334) 11.198 13.616 ( -9.199 -8.478 6.524) 14.108 13.876 ( -5.622 2.774 -12.663) 14.130 14.265 ( -8.438 -0.171 -4.036) 9.355 14.658 ( 1.660 -4.850 -4.416) 6.766 14.782 ( -6.032 -8.719 -0.516) 10.615 15.351 ( 2.073 4.373 0.093) 4.841 15.540 ( 0.880 -3.013 -2.317) 3.901 16.245 ( -6.037 -1.777 -4.185) 7.557 16.889 ( 9.184 10.303 -4.476) 14.509 17.044 ( -6.706 -8.721 10.878) 15.471 17.316 ( 8.877 -8.781 -16.192) 20.447 17.421 ( 7.089 2.103 3.279) 8.089 18.421 ( -3.781 -1.446 11.424) 12.120 20.224 ( 1.718 -4.118 0.319) 4.474 20.555 ( -4.462 -3.772 14.850) 15.958 21.022 ( -27.115 -1.118 -1.744) 27.194 24.951 ( 2.029 3.964 -1.788) 4.799 26.556 ( 3.619 7.145 1.520) 8.152 27.015 ( 2.411 -0.317 3.218) 4.034 27.821 ( 7.804 2.423 -7.490) 11.085 ======================= Grid point 347 (172/227) ======================= q-point: (-0.40 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( -3.416 6.730 -6.417) 9.907 3.258 ( 3.025 -4.123 6.949) 8.628 4.030 ( -12.528 4.502 0.634) 13.327 4.413 ( 6.855 11.637 -2.470) 13.730 4.805 ( -0.351 -2.041 7.938) 8.204 5.226 ( -3.261 6.393 2.695) 7.666 5.728 ( 11.259 16.194 9.877) 22.058 5.993 ( -13.469 1.146 6.306) 14.916 6.067 ( -0.489 -2.911 -0.904) 3.087 6.800 ( 4.738 7.969 -9.252) 13.099 7.075 ( 0.035 -13.873 5.635) 14.974 7.388 ( 2.369 -1.146 10.331) 10.661 7.613 ( 6.788 8.455 -9.846) 14.646 8.428 ( 8.744 10.824 1.707) 14.018 8.888 ( 1.884 9.496 7.963) 12.536 9.405 ( 1.069 19.178 -6.842) 20.390 9.728 ( -9.362 9.255 2.133) 13.336 9.969 ( 7.611 -0.647 -14.602) 16.479 11.237 ( 10.484 -14.678 2.671) 18.235 11.410 ( -5.273 -0.516 -2.069) 5.688 11.550 ( 8.448 -16.848 8.527) 20.687 12.510 ( -7.095 -4.318 5.533) 9.980 12.883 ( 9.224 4.363 -12.248) 15.941 13.098 ( -4.582 1.410 -0.321) 4.805 13.274 ( 1.805 -4.521 2.454) 5.452 13.652 ( 2.248 -9.412 2.265) 9.939 13.771 ( -5.457 -1.710 -4.531) 7.296 14.156 ( -5.710 -3.040 -8.615) 10.774 14.733 ( 0.428 -3.535 -7.552) 8.350 14.765 ( -5.002 -9.846 3.940) 11.726 15.312 ( -0.804 4.711 0.511) 4.806 15.601 ( 1.411 -2.777 0.702) 3.193 16.182 ( -3.666 -2.919 -3.175) 5.661 16.842 ( -7.269 0.134 11.141) 13.303 17.100 ( 6.328 -0.505 -3.638) 7.317 17.439 ( 2.650 0.747 2.098) 3.461 17.605 ( 8.782 -5.989 -11.447) 15.621 18.446 ( 1.840 -6.483 10.736) 12.676 20.256 ( 0.318 1.614 -1.422) 2.175 20.548 ( -16.227 0.041 2.218) 16.378 20.633 ( -6.000 -11.330 12.243) 17.728 24.928 ( 1.005 5.048 -1.438) 5.344 26.512 ( 0.791 8.678 0.901) 8.761 27.052 ( 2.269 1.335 4.552) 5.259 27.881 ( 3.833 5.902 -10.696) 12.803 ======================= Grid point 348 (173/227) ======================= q-point: (-0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 1.451 3.604 -4.510) 5.953 3.357 ( 3.023 -2.315 4.529) 5.917 3.773 ( -4.356 11.374 11.986) 17.088 4.390 ( 4.872 12.163 -6.612) 14.676 4.799 ( -2.855 -1.501 13.540) 13.919 5.088 ( -5.196 4.933 1.193) 7.263 5.618 ( -13.616 10.472 10.887) 20.337 5.751 ( 6.058 16.157 16.472) 23.855 6.297 ( 10.030 -13.288 -12.210) 20.646 6.673 ( -5.941 13.356 -3.835) 15.113 7.247 ( 5.965 -6.714 -1.369) 9.085 7.307 ( -4.709 7.145 10.646) 13.659 7.659 ( 6.746 9.081 -8.555) 14.183 8.377 ( -6.087 3.355 5.559) 8.900 8.797 ( 4.545 18.756 -10.824) 22.127 9.241 ( 2.139 9.646 3.811) 10.590 9.492 ( -7.918 8.226 0.666) 11.437 10.098 ( 7.199 2.633 -13.512) 15.535 11.308 ( -3.089 2.013 -2.916) 4.701 11.565 ( 4.720 -17.732 8.699) 20.306 11.892 ( 7.741 -16.582 -0.227) 18.301 12.417 ( -6.989 -7.305 6.546) 12.044 12.940 ( -0.200 4.749 -6.123) 7.752 13.056 ( -1.504 -5.641 -5.812) 8.238 13.362 ( 1.771 -4.707 0.017) 5.029 13.712 ( -3.022 -4.406 -1.403) 5.524 13.867 ( 10.080 -5.729 0.425) 11.602 14.139 ( -0.699 -5.990 -11.705) 13.167 14.709 ( -6.248 -6.714 -3.442) 9.796 14.866 ( 5.275 -5.179 -0.242) 7.396 15.233 ( -2.690 4.541 1.519) 5.492 15.620 ( -2.265 -1.711 2.515) 3.792 16.185 ( -0.107 -4.446 -3.402) 5.599 16.694 ( -11.277 -4.212 11.202) 16.444 17.209 ( 5.123 0.740 -1.304) 5.338 17.442 ( -1.591 -0.493 5.804) 6.039 17.790 ( 4.744 -7.391 -12.660) 15.408 18.572 ( 0.920 -7.972 9.912) 12.753 20.211 ( -8.639 2.630 2.315) 9.323 20.295 ( 3.960 2.475 0.434) 4.690 20.812 ( 4.577 -13.122 11.390) 17.968 24.893 ( 0.696 3.776 -1.588) 4.156 26.410 ( -2.064 8.572 0.747) 8.849 27.067 ( 1.956 2.998 5.289) 6.387 27.814 ( -1.294 11.534 -13.133) 17.526 ======================= Grid point 349 (174/227) ======================= q-point: (-0.20 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 4.467 -0.384 -0.862) 4.565 3.385 ( 2.370 4.350 8.698) 10.010 3.720 ( 7.683 7.583 12.379) 16.425 4.317 ( 0.231 11.184 -8.266) 13.909 4.749 ( -2.614 0.166 19.323) 19.500 4.952 ( -6.012 2.611 0.494) 6.573 5.302 ( -9.507 8.050 10.379) 16.215 5.720 ( 6.839 13.695 9.958) 18.262 6.306 ( -8.237 23.888 -5.015) 25.761 6.531 ( 4.976 6.994 -5.282) 10.079 7.221 ( 1.244 -5.267 5.281) 7.562 7.410 ( 4.113 -4.053 1.828) 6.057 7.597 ( -2.704 8.673 -6.267) 11.037 8.217 ( -6.217 3.406 2.078) 7.387 8.721 ( 5.751 11.430 -7.075) 14.621 9.243 ( -8.758 -0.310 9.666) 13.047 9.295 ( 7.150 10.382 -10.650) 16.503 10.151 ( 3.127 4.172 -13.952) 14.894 11.242 ( -2.865 1.048 -2.084) 3.695 11.743 ( -3.891 -13.391 7.890) 16.022 12.080 ( -3.085 -12.734 -3.877) 13.664 12.483 ( 1.629 -11.299 -3.041) 11.814 12.844 ( -3.550 3.918 3.319) 6.242 13.129 ( 2.577 -8.196 -5.615) 10.264 13.364 ( -7.453 -4.758 2.233) 9.120 13.756 ( 2.683 -2.600 -1.253) 3.941 14.064 ( 7.038 -2.596 4.336) 8.664 14.261 ( 5.655 -7.411 -17.244) 19.603 14.676 ( -4.211 -5.375 -2.183) 7.168 15.040 ( 9.068 -2.607 -4.088) 10.283 15.133 ( -3.326 3.035 2.895) 5.353 15.554 ( -6.568 -0.205 3.441) 7.417 16.259 ( 2.843 -3.216 -6.921) 8.143 16.583 ( -8.118 -9.341 9.193) 15.416 17.234 ( -3.990 -3.914 6.339) 8.451 17.418 ( -1.234 0.402 3.636) 3.860 17.921 ( 0.191 -10.080 -9.820) 14.074 18.571 ( -7.287 -2.917 8.080) 11.265 20.089 ( -2.323 1.183 5.928) 6.475 20.538 ( 24.027 1.418 0.693) 24.079 21.019 ( 4.226 -11.257 8.469) 14.707 24.886 ( 1.025 0.360 -1.446) 1.809 26.274 ( -4.001 6.720 0.279) 7.826 27.058 ( 1.114 4.463 4.756) 6.616 27.596 ( -4.866 18.415 -11.862) 22.439 ======================= Grid point 350 (175/227) ======================= q-point: (-0.10 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 9.091 -8.669 3.298) 12.987 3.364 ( 1.188 7.293 16.134) 17.746 3.799 ( 9.869 9.892 5.203) 14.910 4.165 ( -5.743 6.466 -7.613) 11.521 4.771 ( 3.843 3.752 20.970) 21.647 4.858 ( 0.862 -2.082 2.492) 3.360 5.137 ( -1.969 6.171 5.834) 8.717 5.670 ( 0.341 10.726 6.181) 12.384 5.916 ( -4.870 22.231 -11.587) 25.539 6.467 ( 6.503 18.323 4.222) 19.896 7.378 ( -0.066 -5.809 -0.161) 5.811 7.447 ( -0.040 9.540 2.813) 9.946 7.464 ( -3.038 -10.179 2.020) 10.813 8.098 ( -0.956 8.708 1.554) 8.897 8.756 ( 6.405 2.483 -9.460) 11.691 9.041 ( -9.227 2.482 5.992) 11.279 9.404 ( 6.909 -0.217 -8.536) 10.984 10.106 ( -2.357 5.378 -14.775) 15.899 11.173 ( -4.361 0.604 -2.573) 5.099 11.728 ( -9.519 -9.062 1.121) 13.191 12.121 ( -3.238 -7.708 -1.294) 8.460 12.496 ( -10.779 -2.532 -4.849) 12.088 12.873 ( 5.985 -7.019 4.959) 10.473 13.212 ( -10.238 -2.184 2.327) 10.723 13.344 ( 6.074 -12.811 -2.257) 14.357 13.817 ( 2.216 -0.445 -4.533) 5.065 14.201 ( 7.278 -1.461 7.200) 10.341 14.376 ( -1.191 -4.376 -12.634) 13.423 14.698 ( 0.731 -4.925 -4.458) 6.683 15.012 ( -3.667 3.783 4.491) 6.923 15.258 ( 10.531 0.133 -10.192) 14.656 15.409 ( -9.204 -0.067 5.156) 10.550 16.303 ( 1.649 0.723 -10.375) 10.531 16.636 ( -0.291 -11.727 3.316) 12.191 17.181 ( -9.516 -9.076 11.383) 17.392 17.380 ( -2.587 0.521 1.500) 3.035 17.977 ( -4.727 -5.745 -0.104) 7.441 18.470 ( -4.442 -2.391 2.673) 5.709 20.087 ( 2.626 0.531 8.739) 9.140 20.912 ( 13.595 4.039 9.505) 17.073 21.274 ( 15.269 -13.512 -4.997) 20.993 24.912 ( 0.305 -2.180 0.599) 2.281 26.149 ( -3.722 3.487 -1.637) 5.356 27.000 ( -0.845 8.258 0.793) 8.339 27.322 ( -1.680 19.004 -3.698) 19.433 ======================= Grid point 355 (176/227) ======================= q-point: ( 0.40 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -9.105 0.000 -9.789) 13.369 3.149 ( 0.243 -0.000 5.884) 5.889 4.163 ( -7.228 0.000 -9.733) 12.123 4.437 ( 10.695 -0.000 -6.530) 12.531 4.732 ( 2.861 -0.000 10.211) 10.604 5.391 ( -4.233 0.000 1.137) 4.384 5.919 ( -9.459 0.000 2.081) 9.686 6.085 ( 5.141 -0.000 2.823) 5.865 6.446 ( -1.103 0.000 10.609) 10.667 6.672 ( 3.034 -0.000 7.417) 8.014 6.796 ( -0.250 0.000 -4.174) 4.182 7.166 ( 5.706 -0.000 2.535) 6.244 7.529 ( 13.231 -0.000 -1.652) 13.334 8.510 ( 27.676 -0.000 -7.582) 28.696 8.906 ( -1.575 0.000 23.502) 23.554 9.590 ( 7.773 -0.000 -8.462) 11.490 9.746 ( 3.287 -0.000 -14.914) 15.272 10.267 ( -4.517 0.000 2.770) 5.299 10.725 ( 8.040 -0.000 -2.102) 8.311 11.159 ( -0.516 0.000 14.304) 14.313 11.563 ( -10.111 0.000 -1.567) 10.232 12.371 ( 13.609 -0.000 -16.882) 21.685 13.018 ( 5.246 -0.000 -1.944) 5.595 13.128 ( -9.897 0.000 8.431) 13.001 13.291 ( 1.922 -0.000 7.005) 7.264 13.502 ( -14.682 0.000 7.970) 16.706 13.913 ( -8.903 0.000 -13.749) 16.380 14.272 ( -10.584 0.000 -3.987) 11.310 14.584 ( 1.859 -0.000 -0.082) 1.861 14.686 ( -4.150 0.000 -4.469) 6.098 15.418 ( 4.456 -0.000 0.851) 4.537 15.489 ( -1.576 0.000 -2.264) 2.759 16.225 ( -6.158 0.000 -4.567) 7.667 16.942 ( -8.139 0.000 15.320) 17.348 17.089 ( 12.349 -0.000 -3.611) 12.867 17.138 ( 9.706 -0.000 -23.372) 25.307 17.452 ( 7.408 -0.000 3.544) 8.212 18.401 ( -7.201 0.000 12.536) 14.457 20.170 ( 3.666 -0.000 1.808) 4.087 20.521 ( -5.899 0.000 12.850) 14.140 21.013 ( -26.744 0.000 -1.788) 26.804 24.997 ( 2.556 -0.000 -2.162) 3.348 26.641 ( 4.145 -0.000 4.819) 6.356 27.001 ( 2.128 -0.000 0.405) 2.166 27.844 ( 8.445 -0.000 -6.605) 10.722 ======================= Grid point 357 (177/227) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -4.674 4.603 -9.065) 11.189 3.186 ( 2.681 -2.134 5.684) 6.637 4.030 ( -8.812 -1.860 -6.931) 11.365 4.609 ( 10.441 5.901 -3.258) 12.428 4.777 ( 0.979 -0.899 15.011) 15.070 5.340 ( -0.883 3.623 -1.253) 3.934 5.743 ( -9.392 -5.632 -4.466) 11.827 6.081 ( -0.289 6.015 6.321) 8.731 6.303 ( -4.079 17.830 14.395) 23.276 6.690 ( -4.343 -17.645 12.680) 22.158 6.986 ( 14.152 3.692 -17.700) 22.961 7.274 ( 2.498 -5.404 9.968) 11.611 7.722 ( 9.495 2.142 -9.622) 13.686 8.748 ( 2.937 14.096 16.582) 21.961 8.993 ( 14.630 0.483 7.330) 16.370 9.693 ( 7.505 6.956 -10.541) 14.691 9.874 ( 8.660 -2.731 -17.657) 19.855 9.998 ( -17.136 9.846 -0.981) 19.788 10.951 ( 9.891 -9.910 0.321) 14.005 11.239 ( 4.666 -9.694 10.484) 15.021 11.425 ( -5.507 0.221 -2.586) 6.088 12.453 ( -7.128 -1.051 4.107) 8.294 12.996 ( 2.470 5.270 -4.818) 7.556 13.165 ( 4.614 -3.274 -1.352) 5.817 13.211 ( -4.053 7.264 2.326) 8.637 13.438 ( 0.867 -11.218 -0.317) 11.256 13.744 ( -8.518 -0.703 -2.183) 8.821 14.124 ( -6.277 -0.397 -12.761) 14.226 14.592 ( -5.194 -5.072 4.702) 8.650 14.671 ( 2.182 -2.006 -6.487) 7.132 15.418 ( -0.032 5.288 1.426) 5.477 15.523 ( 0.720 -4.597 1.076) 4.776 16.138 ( -4.419 -1.113 -2.708) 5.301 16.791 ( -10.787 -2.473 17.251) 20.496 17.202 ( 9.335 7.313 -9.053) 14.919 17.364 ( 6.326 -6.376 -15.579) 17.983 17.594 ( 9.487 2.017 2.271) 9.961 18.321 ( -3.170 -4.179 11.810) 12.923 20.264 ( 5.146 -0.623 -2.495) 5.752 20.457 ( -2.334 -3.520 13.545) 14.188 20.571 ( -22.240 0.330 0.250) 22.244 25.017 ( 1.277 2.599 -1.572) 3.295 26.666 ( 1.471 4.967 5.036) 7.224 27.041 ( 1.455 -1.385 0.775) 2.154 27.954 ( 4.982 1.555 -8.435) 9.919 ======================= Grid point 358 (178/227) ======================= q-point: (-0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 0.959 6.072 -8.211) 10.257 3.286 ( 5.178 -3.351 3.727) 7.206 3.895 ( -6.735 0.809 0.372) 6.793 4.639 ( 3.125 10.686 -3.829) 11.774 4.786 ( -0.517 -0.037 19.209) 19.216 5.227 ( -3.582 8.289 -3.334) 9.626 5.703 ( -11.361 -5.047 -1.777) 12.558 6.059 ( 6.011 -3.499 1.291) 7.074 6.100 ( 3.507 16.661 16.015) 23.375 6.769 ( -3.510 -6.890 0.086) 7.733 7.167 ( 11.276 2.583 -9.398) 14.904 7.329 ( -3.534 -4.815 12.438) 13.798 7.814 ( 6.232 5.512 -12.380) 14.916 8.580 ( -6.167 12.170 15.711) 20.808 9.153 ( 9.894 10.433 2.189) 14.544 9.474 ( -18.962 15.000 0.773) 24.190 9.704 ( 3.862 12.687 -8.356) 15.675 10.113 ( 10.159 -2.135 -17.032) 19.946 11.214 ( 5.024 -13.555 1.745) 14.561 11.357 ( -0.968 0.952 -2.403) 2.760 11.510 ( 6.516 -18.592 3.871) 20.078 12.271 ( -12.677 -5.315 11.608) 17.992 12.982 ( -2.902 -1.560 -1.589) 3.658 13.076 ( -1.610 7.436 -4.718) 8.952 13.279 ( 3.268 -2.236 -2.990) 4.962 13.573 ( -2.887 -9.067 -1.758) 9.676 13.774 ( 13.173 -2.906 0.051) 13.490 14.065 ( -0.676 -1.653 -16.550) 16.646 14.549 ( -6.587 -7.359 2.965) 10.311 14.764 ( 4.771 -4.022 -3.311) 7.064 15.339 ( -2.531 5.501 3.163) 6.831 15.561 ( -1.810 -3.910 2.335) 4.901 16.098 ( -2.430 -3.251 -0.372) 4.076 16.629 ( -10.843 -2.456 13.893) 17.793 17.249 ( 0.504 2.158 -0.145) 2.221 17.446 ( 1.864 0.892 -8.734) 8.976 17.722 ( 5.797 0.104 -6.895) 9.009 18.394 ( 2.210 -8.259 9.487) 12.771 20.241 ( -13.052 0.217 4.393) 13.773 20.343 ( 6.998 1.965 -0.711) 7.304 20.585 ( 7.111 -7.779 7.421) 12.890 24.991 ( 0.255 4.412 -1.466) 4.656 26.596 ( -1.511 8.406 3.945) 9.408 27.075 ( 0.404 -1.734 2.529) 3.093 27.972 ( 0.472 4.393 -10.209) 11.124 ======================= Grid point 359 (179/227) ======================= q-point: (-0.30 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( 4.372 5.826 -6.571) 9.809 3.414 ( 5.863 -1.092 1.262) 6.096 3.816 ( 0.198 1.555 7.575) 7.735 4.528 ( -4.303 7.902 -4.646) 10.126 4.778 ( 1.188 2.021 20.041) 20.177 5.071 ( -4.973 9.000 -4.683) 11.299 5.467 ( -7.924 7.914 5.534) 12.492 5.989 ( 1.322 11.210 11.497) 16.111 6.388 ( 14.544 -11.655 -4.923) 19.277 6.678 ( -6.022 8.534 -8.010) 13.162 7.252 ( -5.273 1.909 7.264) 9.177 7.325 ( 5.808 -1.927 2.616) 6.654 7.796 ( -1.791 8.028 -8.060) 11.516 8.299 ( -10.302 8.841 3.446) 14.006 9.119 ( -3.473 13.750 3.273) 14.555 9.141 ( -4.963 0.358 6.676) 8.327 9.614 ( 5.536 18.439 -10.259) 21.815 10.231 ( 4.470 3.476 -13.134) 14.303 11.265 ( -2.768 0.457 0.988) 2.974 11.468 ( 1.023 -12.070 -0.865) 12.144 11.753 ( -0.650 -17.681 -0.763) 17.709 12.224 ( -3.795 -13.201 1.090) 13.779 12.931 ( -3.682 3.501 4.283) 6.646 13.018 ( 1.211 -1.725 -3.044) 3.702 13.281 ( -5.473 -2.647 1.039) 6.167 13.653 ( 2.270 -6.856 -0.475) 7.237 14.008 ( 7.465 -2.198 3.421) 8.500 14.178 ( 11.532 -1.079 -22.679) 25.465 14.535 ( -3.327 -8.034 1.338) 8.798 14.929 ( 8.446 -6.506 -3.946) 11.368 15.224 ( -4.294 4.875 4.951) 8.167 15.534 ( -4.930 -1.747 2.552) 5.820 16.136 ( 1.155 -6.991 0.805) 7.131 16.480 ( -8.659 -1.947 9.216) 12.795 17.161 ( -10.052 -3.114 7.080) 12.683 17.461 ( 2.052 3.519 -2.550) 4.806 17.786 ( 0.624 -3.330 -13.056) 13.489 18.492 ( -0.041 -4.441 8.055) 9.198 20.097 ( -4.275 -0.472 6.908) 8.137 20.564 ( 20.808 1.072 -0.144) 20.836 20.809 ( 7.652 -8.396 5.127) 12.463 24.947 ( 0.292 4.313 -2.164) 4.835 26.451 ( -4.056 9.616 2.790) 10.803 27.089 ( -0.507 -1.168 3.895) 4.098 27.870 ( -4.183 8.667 -10.616) 14.329 ======================= Grid point 360 (180/227) ======================= q-point: (-0.20 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 6.284 3.027 -2.149) 7.298 3.483 ( 3.154 3.750 4.480) 6.640 3.886 ( 7.152 -0.862 4.728) 8.617 4.320 ( -10.314 7.158 -1.322) 12.624 4.843 ( 9.093 2.431 8.474) 12.665 4.871 ( -7.053 4.669 6.107) 10.432 5.334 ( 3.616 12.684 3.447) 13.632 5.894 ( -0.315 9.927 6.357) 11.793 6.350 ( -12.778 18.224 -14.128) 26.363 6.696 ( 8.528 -0.198 -0.851) 8.572 7.189 ( 0.706 -3.573 -0.118) 3.644 7.381 ( -3.093 -1.916 7.773) 8.582 7.619 ( -4.331 7.294 -0.314) 8.488 8.162 ( -2.067 -0.935 0.902) 2.441 8.985 ( 1.672 16.114 -7.081) 17.680 9.010 ( -11.454 -7.274 15.618) 20.689 9.550 ( 7.984 15.635 -10.585) 20.500 10.203 ( -2.175 4.647 -11.463) 12.559 11.194 ( -4.452 1.369 -0.464) 4.681 11.528 ( -6.041 -10.063 -2.493) 11.999 11.899 ( -0.004 -12.682 -1.362) 12.755 12.326 ( -3.390 -13.544 -9.463) 16.867 12.832 ( -2.856 1.882 8.213) 8.897 13.128 ( 3.231 -6.713 4.905) 8.920 13.180 ( -5.170 -0.567 -0.105) 5.202 13.737 ( -0.861 -6.374 -0.763) 6.477 14.152 ( 7.121 -2.599 4.636) 8.886 14.321 ( 2.137 -1.710 -13.021) 13.305 14.623 ( 6.203 -2.242 -7.371) 9.891 15.099 ( -3.899 4.221 6.074) 8.361 15.186 ( 11.835 -6.476 -8.062) 15.716 15.422 ( -8.304 0.847 2.775) 8.797 16.273 ( 4.323 -6.343 -4.104) 8.705 16.407 ( -2.649 -6.777 7.570) 10.500 17.009 ( -12.668 -6.835 9.750) 17.386 17.420 ( -2.737 2.736 0.762) 3.945 17.842 ( 1.148 -5.617 -10.081) 11.597 18.479 ( -2.643 1.968 6.355) 7.159 20.083 ( 1.218 -1.108 8.990) 9.140 20.951 ( 12.029 -0.329 6.188) 13.531 21.050 ( 19.580 -7.768 -2.750) 21.243 24.923 ( 1.128 2.530 -2.687) 3.859 26.273 ( -5.153 8.354 1.229) 9.892 27.082 ( -1.040 0.265 3.635) 3.791 27.658 ( -6.460 12.562 -7.885) 16.177 ======================= Grid point 361 (181/227) ======================= q-point: (-0.10 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 7.158 -4.601 2.737) 8.939 3.455 ( 0.276 6.230 7.904) 10.068 4.025 ( 6.324 -0.278 -4.611) 7.831 4.066 ( -7.663 8.320 -2.189) 11.521 4.753 ( -2.494 -0.430 10.770) 11.064 5.061 ( 11.499 -1.392 4.772) 12.528 5.312 ( 13.138 16.005 2.562) 20.865 5.768 ( -1.763 10.770 3.823) 11.564 5.931 ( -13.056 12.788 -13.820) 22.912 6.718 ( 3.542 11.061 0.850) 11.645 7.240 ( -6.955 -2.247 -4.757) 8.721 7.334 ( -2.438 -4.801 5.308) 7.561 7.598 ( 7.067 -0.355 6.843) 9.843 8.166 ( 1.429 2.202 3.098) 4.061 8.834 ( -9.017 -3.007 2.870) 9.929 8.906 ( -3.107 6.019 0.418) 6.787 9.558 ( 7.335 9.238 -8.799) 14.716 10.078 ( -5.545 4.081 -8.271) 10.761 11.076 ( -7.666 0.752 -2.827) 8.205 11.514 ( -4.779 -7.181 -6.177) 10.609 12.014 ( 0.870 -7.384 1.310) 7.550 12.305 ( -8.140 -1.493 -7.326) 11.052 12.825 ( -3.011 -7.441 4.587) 9.245 13.025 ( -6.644 -1.328 12.694) 14.389 13.372 ( 9.828 -9.355 -6.573) 15.077 13.765 ( -3.779 -7.433 0.116) 8.340 14.314 ( 5.051 -1.078 -2.822) 5.885 14.319 ( 0.610 -1.859 -0.534) 2.028 14.721 ( 4.254 1.969 -9.773) 10.839 14.989 ( -3.943 3.791 6.840) 8.758 15.248 ( -9.037 1.890 3.926) 10.032 15.446 ( 11.331 -2.665 -12.977) 17.433 16.352 ( 3.716 -0.852 -9.434) 10.175 16.557 ( 4.288 -10.058 2.743) 11.273 16.887 ( -11.393 -10.789 11.255) 19.311 17.336 ( -3.527 1.847 1.660) 4.313 17.910 ( 0.507 -1.935 -1.284) 2.377 18.397 ( -3.169 1.279 2.945) 4.511 20.153 ( 4.943 -1.072 11.310) 12.390 21.016 ( -0.722 1.386 7.226) 7.394 21.530 ( 21.642 -6.892 -6.054) 23.506 24.924 ( 0.902 1.506 -1.283) 2.174 26.128 ( -3.259 4.022 -1.658) 5.435 27.044 ( -1.219 3.580 0.749) 3.855 27.429 ( -3.866 11.464 -1.391) 12.178 ======================= Grid point 367 (182/227) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 0.419 -0.000 -9.356) 9.365 3.248 ( 5.748 -0.000 4.051) 7.032 3.885 ( -6.712 -0.000 -4.274) 7.957 4.762 ( 0.746 -0.000 -3.628) 3.704 4.786 ( 0.356 0.000 21.242) 21.245 5.374 ( -0.206 -0.000 -6.949) 6.952 5.553 ( -3.259 -0.000 -2.308) 3.993 6.071 ( -2.159 0.000 5.220) 5.649 6.352 ( -6.384 0.000 17.975) 19.075 6.591 ( 6.021 -0.000 2.424) 6.490 7.227 ( 11.100 0.000 -17.920) 21.079 7.249 ( -1.951 -0.000 13.581) 13.720 7.871 ( 5.753 0.000 -13.592) 14.760 8.723 ( -6.318 -0.000 28.077) 28.779 9.234 ( -2.795 -0.000 4.826) 5.577 9.702 ( -16.490 -0.000 -3.110) 16.781 9.971 ( 18.247 -0.000 -12.942) 22.371 9.975 ( 6.349 0.000 -19.846) 20.837 11.051 ( 5.933 -0.000 -3.585) 6.932 11.271 ( 5.754 0.000 5.627) 8.048 11.372 ( -0.758 -0.000 -1.162) 1.388 12.219 ( -16.009 -0.000 14.324) 21.482 12.971 ( -3.297 -0.000 1.363) 3.568 13.158 ( -5.424 -0.000 2.705) 6.061 13.344 ( 7.577 0.000 -1.022) 7.645 13.378 ( -1.857 -0.000 -11.511) 11.660 13.745 ( 13.195 -0.000 0.063) 13.195 14.051 ( -0.870 -0.000 -18.824) 18.844 14.464 ( -6.562 -0.000 5.259) 8.409 14.719 ( 4.327 -0.000 -4.053) 5.928 15.434 ( -4.342 0.000 6.115) 7.500 15.483 ( 0.282 -0.000 -0.124) 0.308 16.064 ( -3.456 -0.000 0.695) 3.525 16.601 ( -9.704 -0.000 13.658) 16.754 17.271 ( -5.058 -0.000 2.958) 5.860 17.462 ( 7.431 -0.000 -18.808) 20.223 17.739 ( 4.439 0.000 -1.781) 4.783 18.292 ( 3.370 -0.000 9.378) 9.965 20.236 ( -13.505 -0.000 5.360) 14.530 20.365 ( 7.310 -0.000 -0.929) 7.369 20.507 ( 7.676 -0.000 5.420) 9.397 25.041 ( -0.007 -0.000 -1.292) 1.292 26.699 ( -1.053 -0.000 6.908) 6.988 27.041 ( -0.341 -0.000 -0.397) 0.523 28.015 ( 1.003 -0.000 -8.983) 9.039 ======================= Grid point 369 (183/227) ======================= q-point: (-0.40 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 4.505 3.637 -9.121) 10.803 3.381 ( 8.219 -1.218 0.734) 8.341 3.801 ( -3.372 -1.567 0.790) 3.802 4.633 ( -11.208 2.482 -5.214) 12.608 4.806 ( 2.305 0.567 22.679) 22.803 5.266 ( -6.283 7.103 -8.026) 12.424 5.607 ( 5.442 4.265 0.642) 6.944 6.080 ( 0.605 -2.545 6.688) 7.182 6.286 ( 5.274 2.710 7.276) 9.386 6.694 ( 1.108 -3.180 -0.143) 3.371 7.219 ( -3.593 -2.959 9.366) 10.459 7.360 ( 6.699 3.233 -11.327) 13.551 7.903 ( -0.754 2.369 -12.527) 12.771 8.550 ( -11.254 12.087 16.376) 23.257 8.915 ( -26.007 -10.686 10.634) 30.061 9.524 ( -0.986 12.548 -3.232) 12.995 9.975 ( 4.653 12.326 -13.352) 18.757 10.285 ( 12.142 1.799 -10.299) 16.023 11.135 ( -1.586 -9.468 -9.807) 13.724 11.365 ( 2.119 -1.645 -0.619) 2.753 11.460 ( 6.994 -6.257 0.942) 9.431 11.993 ( -12.213 -7.209 10.071) 17.394 12.968 ( 2.592 0.886 7.811) 8.278 13.034 ( -6.137 0.970 2.697) 6.773 13.284 ( -3.189 2.847 -2.359) 4.882 13.501 ( 3.365 -6.662 -2.279) 7.804 13.983 ( 7.184 -0.404 0.479) 7.211 14.188 ( 18.427 1.375 -25.033) 31.114 14.376 ( -4.878 -5.825 5.367) 9.302 14.823 ( 6.337 -2.941 -4.170) 8.136 15.315 ( -6.068 3.178 7.320) 10.025 15.490 ( -2.024 -1.947 0.394) 2.836 16.027 ( -1.997 -2.910 4.871) 6.015 16.457 ( -7.516 -0.548 8.348) 11.246 17.114 ( -12.384 -1.197 6.456) 14.017 17.534 ( 1.953 2.449 -7.606) 8.226 17.755 ( -0.832 -0.320 -11.228) 11.264 18.412 ( 6.595 -2.527 7.129) 10.035 20.079 ( -5.661 -0.795 7.338) 9.302 20.578 ( 18.086 0.187 0.709) 18.101 20.694 ( 10.812 -2.536 1.193) 11.170 25.022 ( -0.631 2.174 -1.848) 2.922 26.628 ( -3.639 5.916 6.123) 9.259 27.036 ( -1.886 -2.795 1.168) 3.568 27.980 ( -3.524 2.415 -9.176) 10.122 ======================= Grid point 370 (184/227) ======================= q-point: (-0.30 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.383 ( 5.715 5.932 -6.902) 10.746 3.519 ( 5.464 0.172 -3.162) 6.315 3.826 ( 3.655 -3.695 6.304) 8.170 4.401 ( -11.945 1.243 -5.594) 13.248 4.885 ( 7.469 0.723 19.944) 21.309 5.018 ( -11.150 8.451 -5.772) 15.135 5.638 ( 10.816 15.405 1.500) 18.882 6.043 ( -2.644 3.533 5.045) 6.702 6.498 ( 6.705 -6.265 -6.131) 11.036 6.662 ( -1.792 3.618 -0.046) 4.038 7.182 ( -2.464 -0.526 -0.161) 2.525 7.390 ( -0.192 3.168 2.600) 4.102 7.761 ( -9.686 6.308 -6.693) 13.357 8.168 ( -13.943 2.402 -1.212) 14.201 8.752 ( -12.988 -14.830 20.825) 28.676 9.329 ( -4.458 15.348 -3.020) 16.265 9.901 ( 2.515 12.499 -9.496) 15.897 10.334 ( 1.624 8.994 -8.263) 12.321 11.154 ( -6.508 -7.548 -10.514) 14.487 11.404 ( 0.803 1.137 1.758) 2.242 11.656 ( 6.698 -8.980 -1.547) 11.309 11.995 ( -3.020 -16.949 -3.934) 17.659 12.889 ( -5.329 2.746 6.042) 8.512 13.061 ( 2.616 -0.961 13.334) 13.622 13.213 ( 0.316 4.130 -2.734) 4.963 13.588 ( -2.065 -7.521 -0.439) 7.812 14.114 ( 8.008 -0.993 0.934) 8.123 14.272 ( -2.147 -3.089 -1.243) 3.962 14.610 ( 18.109 0.900 -17.786) 25.399 15.020 ( 10.571 -7.769 -6.861) 14.805 15.184 ( -4.887 3.079 7.336) 9.337 15.433 ( -5.703 0.360 1.166) 5.832 16.080 ( 1.743 -8.653 7.599) 11.647 16.356 ( -4.659 -0.823 3.155) 5.686 16.906 ( -13.556 -3.194 7.718) 15.923 17.477 ( -4.446 2.317 0.275) 5.021 17.769 ( 1.740 -1.745 -15.185) 15.384 18.519 ( 4.029 1.569 6.348) 7.681 20.045 ( -0.284 -2.127 8.825) 9.083 20.889 ( 8.114 -3.785 0.680) 8.979 20.981 ( 25.334 -0.566 -0.294) 25.342 24.986 ( 0.057 2.917 -3.296) 4.402 26.466 ( -5.632 9.173 4.287) 11.586 27.034 ( -2.485 -4.136 3.255) 5.821 27.840 ( -7.422 5.396 -8.242) 12.334 ======================= Grid point 371 (185/227) ======================= q-point: (-0.20 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 5.166 4.951 -1.484) 7.307 3.549 ( 0.240 2.725 -0.008) 2.735 3.951 ( 1.659 -4.263 0.110) 4.576 4.229 ( -2.220 4.453 -4.165) 6.489 4.761 ( -8.592 2.598 2.289) 9.263 5.075 ( 13.458 1.509 9.924) 16.789 5.669 ( 12.259 17.246 -1.148) 21.190 5.954 ( -1.210 7.105 1.046) 7.283 6.224 ( -20.031 14.241 -11.265) 27.036 6.806 ( 5.580 -2.961 0.723) 6.358 7.170 ( -1.598 -1.871 -6.764) 7.198 7.289 ( -4.460 0.927 6.368) 7.830 7.609 ( -1.555 0.851 2.179) 2.809 8.071 ( -3.978 -9.235 -1.014) 10.106 8.684 ( -11.039 -10.593 19.104) 24.476 9.085 ( -7.573 10.546 -4.158) 13.633 9.811 ( 0.519 9.431 -6.661) 11.558 10.209 ( -3.055 10.036 -6.706) 12.451 11.071 ( -8.129 -2.342 -9.653) 12.835 11.394 ( -1.470 -2.111 -0.855) 2.711 11.863 ( 6.942 -6.858 -2.225) 10.009 12.150 ( 1.211 -12.257 -9.114) 15.322 12.771 ( -6.237 1.326 9.539) 11.474 13.020 ( -5.603 0.614 16.208) 17.160 13.282 ( 9.218 0.557 -6.526) 11.308 13.600 ( -4.633 -7.414 2.974) 9.234 14.250 ( 2.775 -3.766 3.129) 5.628 14.309 ( 5.415 -0.423 -4.209) 6.871 14.805 ( 9.105 5.819 -15.107) 18.573 15.076 ( -3.545 3.867 8.012) 9.577 15.283 ( -7.098 1.514 5.617) 9.177 15.338 ( 11.686 -7.260 -15.918) 21.040 16.273 ( 6.424 -11.094 3.665) 13.333 16.335 ( 0.245 -5.715 2.234) 6.140 16.729 ( -11.030 -4.286 7.137) 13.819 17.374 ( -4.358 1.572 1.304) 4.813 17.836 ( 2.943 -3.354 -10.346) 11.267 18.509 ( 0.009 7.143 5.649) 9.107 20.109 ( 4.057 -3.058 10.591) 11.746 21.008 ( 2.180 -1.463 2.151) 3.394 21.435 ( 23.072 -2.769 -2.693) 23.394 24.970 ( 1.394 2.608 -4.325) 5.239 26.266 ( -5.919 8.735 2.094) 10.758 27.036 ( -2.071 -3.681 3.523) 5.500 27.626 ( -8.700 7.116 -5.263) 12.411 ======================= Grid point 372 (186/227) ======================= q-point: (-0.10 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 2.970 -0.028 3.930) 4.926 3.491 ( -2.385 3.870 3.123) 5.515 3.919 ( -5.003 -1.776 -8.478) 10.003 4.211 ( 3.165 7.404 -3.930) 8.960 4.738 ( 4.633 -5.351 6.932) 9.907 5.240 ( 7.197 6.642 1.695) 9.939 5.655 ( -7.961 10.210 -10.957) 16.961 5.828 ( 2.526 6.939 -1.836) 7.609 5.879 ( 4.107 10.958 0.368) 11.708 6.821 ( -0.497 5.031 -0.396) 5.071 7.059 ( -11.283 -3.579 -0.699) 11.858 7.318 ( 3.104 0.389 0.962) 3.273 7.673 ( 4.873 -4.813 3.070) 7.506 8.152 ( 0.613 -9.744 2.092) 9.984 8.616 ( -5.959 -5.956 15.872) 17.969 8.844 ( -10.501 4.827 -6.103) 13.070 9.727 ( -2.621 2.868 -2.505) 4.623 10.065 ( -1.023 8.952 -5.079) 10.343 10.940 ( -6.810 1.162 -8.710) 11.117 11.413 ( -0.237 -4.822 -6.115) 7.791 12.004 ( 2.177 -1.527 5.483) 6.094 12.205 ( -2.360 0.887 -6.997) 7.437 12.688 ( -2.696 -4.450 5.308) 7.433 12.958 ( -1.160 -1.090 14.263) 14.352 13.449 ( 4.466 -6.237 -9.103) 11.904 13.604 ( -1.462 -5.436 5.507) 7.875 14.279 ( -1.139 -0.593 -1.846) 2.249 14.443 ( 7.961 -0.201 -2.978) 8.502 14.843 ( 2.931 6.408 -7.726) 10.457 14.943 ( -5.779 4.684 4.989) 8.957 15.140 ( -4.926 0.943 4.131) 6.498 15.583 ( 7.968 -3.494 -14.974) 17.318 16.363 ( -0.725 -4.728 -5.264) 7.113 16.589 ( 6.193 -15.513 8.458) 18.723 16.634 ( -0.266 -0.784 0.498) 0.966 17.302 ( -2.309 1.122 1.722) 3.091 17.915 ( 1.886 -1.959 -3.262) 4.247 18.397 ( -2.537 8.155 4.046) 9.450 20.238 ( 6.600 -2.510 12.650) 14.487 20.991 ( -3.771 1.601 3.516) 5.399 21.791 ( 13.395 -2.935 -4.818) 14.535 24.966 ( 1.093 3.320 -2.921) 4.555 26.115 ( -2.969 3.818 -1.395) 5.033 27.031 ( -1.797 -0.998 1.081) 2.322 27.431 ( -5.262 4.580 -0.110) 6.977 ======================= Grid point 379 (187/227) ======================= q-point: (-0.40 0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 5.816 -0.000 -8.407) 10.223 3.516 ( 6.313 -0.000 -4.891) 7.986 3.779 ( 3.043 -0.000 5.292) 6.105 4.410 ( -12.851 0.000 -7.924) 15.097 4.888 ( 6.071 -0.000 22.582) 23.383 5.122 ( -11.686 0.000 -7.626) 13.955 5.861 ( 14.612 -0.000 0.824) 14.635 6.034 ( -3.166 0.000 1.596) 3.545 6.416 ( 8.949 -0.000 0.628) 8.971 6.688 ( -1.135 0.000 4.268) 4.416 7.165 ( -1.332 0.000 0.658) 1.485 7.446 ( 1.137 -0.000 -8.130) 8.209 7.842 ( -7.370 0.000 -10.500) 12.828 8.227 ( -34.620 0.000 2.806) 34.734 8.541 ( -5.402 0.000 23.219) 23.839 9.525 ( -6.679 0.000 -3.778) 7.674 9.997 ( -5.746 0.000 -4.838) 7.511 10.479 ( 3.158 -0.000 -5.472) 6.317 11.038 ( -1.357 0.000 -21.621) 21.663 11.430 ( 7.253 -0.000 0.805) 7.298 11.632 ( 13.426 -0.000 -3.573) 13.893 11.725 ( -11.920 0.000 5.699) 13.213 12.922 ( -5.970 0.000 4.750) 7.629 13.053 ( 2.520 -0.000 17.074) 17.259 13.299 ( 4.616 -0.000 -0.521) 4.646 13.473 ( -3.139 0.000 -3.580) 4.761 14.107 ( 9.124 -0.000 -2.102) 9.363 14.227 ( -5.479 0.000 7.384) 9.195 14.631 ( 26.060 -0.000 -24.766) 35.951 14.923 ( 7.195 -0.000 -5.627) 9.134 15.217 ( -6.093 0.000 8.418) 10.392 15.439 ( -3.636 0.000 0.001) 3.636 15.982 ( -0.966 0.000 10.325) 10.370 16.348 ( -5.081 0.000 2.718) 5.762 16.874 ( -13.472 0.000 7.174) 15.263 17.502 ( -5.705 0.000 0.338) 5.715 17.754 ( 1.748 -0.000 -16.814) 16.905 18.536 ( 7.422 -0.000 5.981) 9.532 20.019 ( -0.993 0.000 8.555) 8.613 20.848 ( 9.936 -0.000 -0.723) 9.962 20.977 ( 24.015 -0.000 -0.041) 24.015 25.020 ( -0.495 0.000 -3.294) 3.331 26.583 ( -5.448 0.000 6.607) 8.563 26.970 ( -3.387 0.000 1.736) 3.806 27.894 ( -7.532 0.000 -8.074) 11.042 ======================= Grid point 381 (188/227) ======================= q-point: (-0.30 0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 4.649 3.736 -5.042) 7.810 3.572 ( 0.920 -0.028 -5.258) 5.338 3.881 ( 3.105 -2.002 6.786) 7.727 4.266 ( -0.444 0.363 -10.361) 10.377 4.832 ( -12.993 2.518 0.942) 13.269 5.101 ( 12.654 0.840 10.965) 16.765 5.945 ( 2.070 7.305 -5.489) 9.369 6.069 ( 6.965 3.880 0.849) 8.018 6.454 ( -11.076 6.923 -7.460) 15.042 6.693 ( 3.145 -5.091 4.461) 7.464 7.152 ( -1.453 -0.728 -6.574) 6.772 7.379 ( -4.277 6.226 2.234) 7.877 7.634 ( -9.127 2.745 -5.027) 10.775 7.835 ( -14.853 -12.203 0.041) 19.223 8.490 ( -4.996 -5.880 22.266) 23.565 9.301 ( -12.870 8.034 -1.967) 15.299 9.871 ( -8.435 -1.116 0.428) 8.519 10.388 ( -8.161 3.838 -5.584) 10.607 11.034 ( -0.053 0.442 -23.487) 23.491 11.465 ( -1.539 8.245 3.477) 9.080 11.697 ( 6.090 -10.705 -1.837) 12.452 11.924 ( 13.286 -6.167 -5.419) 15.618 12.812 ( -6.593 1.537 8.258) 10.678 13.038 ( -3.367 0.751 18.524) 18.842 13.349 ( 0.871 4.017 -5.345) 6.743 13.481 ( 4.397 -3.811 2.620) 6.382 14.175 ( -1.865 -2.666 3.911) 5.088 14.301 ( 11.594 -0.263 -0.577) 11.611 14.954 ( 12.158 8.470 -17.143) 22.659 15.121 ( 1.032 -0.809 5.150) 5.314 15.154 ( 10.462 -7.958 -12.567) 18.185 15.335 ( -7.289 2.285 2.782) 8.130 16.032 ( 2.777 -7.862 13.332) 15.725 16.283 ( -2.747 -1.113 -1.242) 3.214 16.681 ( -8.681 -0.943 5.830) 10.500 17.397 ( -5.224 0.570 1.159) 5.382 17.795 ( 2.673 -0.818 -14.289) 14.560 18.629 ( 4.385 3.472 5.728) 8.006 20.048 ( 3.016 -2.043 9.796) 10.452 20.981 ( 4.496 -0.795 -0.542) 4.598 21.401 ( 22.916 -0.707 -1.557) 22.980 25.015 ( 1.044 1.306 -5.562) 5.808 26.441 ( -6.745 6.342 5.075) 10.558 26.934 ( -3.280 -4.450 3.835) 6.728 27.721 ( -10.485 2.198 -6.479) 12.520 ======================= Grid point 382 (189/227) ======================= q-point: (-0.20 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 2.241 5.293 1.128) 5.857 3.553 ( -2.325 1.881 0.452) 3.025 3.867 ( -4.352 -2.444 -2.005) 5.378 4.362 ( 7.240 6.017 -8.324) 12.566 4.640 ( -3.193 -3.341 1.108) 4.752 5.343 ( 13.544 2.762 4.234) 14.456 5.881 ( -6.990 9.248 -10.968) 15.958 5.972 ( -17.337 8.639 -6.753) 20.513 6.106 ( 4.189 8.317 1.315) 9.404 6.816 ( 1.693 -6.493 0.615) 6.738 7.008 ( -13.050 1.881 -4.417) 13.905 7.353 ( 5.445 3.982 -3.642) 7.666 7.584 ( 0.820 -4.085 1.577) 4.455 7.851 ( -2.153 -17.003 4.119) 17.627 8.501 ( -0.149 -4.651 19.952) 20.487 8.966 ( -15.684 6.274 -0.898) 16.916 9.726 ( -9.749 -1.238 2.596) 10.165 10.189 ( -10.979 0.004 -6.124) 12.571 11.006 ( 1.092 5.497 -20.710) 21.455 11.380 ( -1.088 2.216 -1.040) 2.679 11.925 ( 7.322 -6.905 0.792) 10.096 12.179 ( 9.067 -1.697 -2.962) 9.688 12.666 ( -6.019 1.434 8.351) 10.393 12.968 ( -2.862 1.115 17.889) 18.151 13.343 ( -1.126 -3.899 -8.922) 9.801 13.604 ( 8.900 4.577 4.381) 10.925 14.204 ( -0.192 -5.643 0.494) 5.668 14.480 ( 9.921 2.901 -0.774) 10.365 14.986 ( 2.630 6.990 -7.216) 10.385 15.058 ( -3.543 5.457 2.569) 6.995 15.158 ( -7.250 1.037 3.782) 8.243 15.475 ( 10.657 -6.328 -17.052) 21.080 16.219 ( -1.045 -13.226 8.101) 15.545 16.302 ( 5.696 -5.470 1.717) 8.082 16.624 ( 2.581 -0.511 1.458) 3.008 17.319 ( -3.141 0.503 1.172) 3.390 17.860 ( 3.246 -2.093 -10.138) 10.849 18.605 ( 0.320 9.312 5.630) 10.886 20.165 ( 6.268 -3.931 11.632) 13.785 21.007 ( -1.914 0.228 1.043) 2.192 21.749 ( 14.962 -1.217 -3.722) 15.466 25.029 ( 2.783 2.478 -6.951) 7.887 26.246 ( -6.425 7.764 2.794) 10.458 26.946 ( -2.067 -6.124 4.236) 7.728 27.504 ( -10.728 2.338 -3.684) 11.581 ======================= Grid point 383 (190/227) ======================= q-point: (-0.10 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -1.068 3.589 6.796) 7.760 3.451 ( -6.145 2.643 4.269) 7.936 3.848 ( -0.448 -2.557 -5.681) 6.246 4.293 ( -1.376 6.101 -5.832) 8.552 4.826 ( 11.771 -5.424 -1.290) 13.025 5.259 ( -18.893 3.108 -1.599) 19.214 5.575 ( -1.851 10.194 -1.097) 10.419 5.890 ( 0.833 4.041 -16.231) 16.747 6.148 ( 8.437 2.517 1.343) 8.907 6.768 ( -12.499 -3.278 -5.564) 14.068 6.865 ( -0.074 0.900 -0.063) 0.905 7.382 ( 0.568 0.175 1.090) 1.242 7.690 ( 3.277 -4.205 3.124) 6.179 8.044 ( 4.742 -13.115 5.946) 15.160 8.586 ( 4.296 -0.061 13.594) 14.256 8.679 ( -9.689 0.213 -0.033) 9.691 9.577 ( -9.063 -3.395 1.814) 9.846 10.025 ( -10.449 -4.689 -5.604) 12.751 10.970 ( 4.370 9.081 -14.778) 17.887 11.381 ( 0.894 -2.437 -6.189) 6.712 12.002 ( -4.453 3.159 16.414) 17.299 12.238 ( 4.166 2.572 -6.729) 8.322 12.708 ( 8.699 -2.400 -0.482) 9.037 12.936 ( -1.326 -1.183 17.728) 17.817 13.354 ( -2.787 -3.766 -4.853) 6.746 13.694 ( 6.783 4.286 -1.614) 8.184 14.255 ( -0.077 -2.343 0.709) 2.449 14.594 ( 7.773 3.308 -4.251) 9.456 14.806 ( -10.810 6.269 5.194) 13.533 15.004 ( 1.290 4.393 1.647) 4.865 15.105 ( 1.548 1.310 -4.620) 5.045 15.637 ( 2.861 -3.952 -14.412) 15.216 16.218 ( -6.473 -6.894 0.606) 9.476 16.516 ( 4.706 -7.314 5.621) 10.356 16.823 ( 16.500 -3.658 -3.878) 17.340 17.276 ( -1.376 0.153 0.909) 1.656 17.931 ( 2.065 -1.329 -4.311) 4.962 18.466 ( -2.432 12.346 5.185) 13.610 20.331 ( 7.257 -3.611 12.937) 15.267 20.918 ( -6.614 1.666 3.244) 7.553 21.919 ( 3.129 -0.422 -5.534) 6.372 25.035 ( 1.988 5.575 -5.034) 7.770 26.100 ( -2.738 2.897 -1.011) 4.112 26.966 ( -2.678 -3.743 1.364) 4.801 27.348 ( -5.432 -2.377 0.602) 5.960 ======================= Grid point 391 (191/227) ======================= q-point: (-0.30 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 2.090 -0.000 -0.595) 2.173 3.570 ( -1.257 0.000 -1.627) 2.056 3.840 ( -4.330 0.000 2.707) 5.107 4.427 ( 15.755 -0.000 -11.123) 19.285 4.608 ( -13.012 0.000 -0.889) 13.043 5.364 ( 15.955 -0.000 4.554) 16.592 5.979 ( 0.357 -0.000 -13.267) 13.272 6.146 ( -29.692 0.000 -5.635) 30.222 6.146 ( -4.672 0.000 1.492) 4.905 6.698 ( 5.143 -0.000 2.891) 5.900 7.083 ( -9.138 0.000 -10.192) 13.688 7.474 ( 4.882 -0.000 -1.745) 5.184 7.501 ( -3.765 0.000 -6.048) 7.124 7.586 ( 0.170 -0.000 10.108) 10.109 8.449 ( 3.058 -0.000 21.589) 21.804 9.048 ( -19.743 0.000 1.951) 19.839 9.710 ( -8.414 0.000 5.265) 9.926 10.154 ( -17.487 0.000 -6.412) 18.625 11.079 ( 3.008 -0.000 -24.695) 24.877 11.450 ( -3.529 0.000 -6.269) 7.194 11.802 ( 11.570 -0.000 6.587) 13.313 12.165 ( 13.651 -0.000 -1.994) 13.796 12.690 ( -7.262 0.000 8.665) 11.305 12.981 ( -4.253 0.000 20.171) 20.615 13.302 ( -1.105 0.000 -11.409) 11.462 13.684 ( 13.378 -0.000 4.621) 14.153 14.122 ( -2.239 0.000 1.132) 2.509 14.518 ( 11.811 -0.000 1.187) 11.870 15.076 ( -1.756 0.000 5.183) 5.472 15.128 ( 2.819 -0.000 -5.710) 6.368 15.177 ( -8.919 0.000 -1.456) 9.037 15.385 ( 12.211 -0.000 -18.214) 21.929 16.039 ( 2.573 -0.000 12.480) 12.743 16.260 ( 2.006 -0.000 -0.435) 2.053 16.617 ( 2.313 -0.000 2.451) 3.370 17.324 ( -3.474 0.000 0.960) 3.604 17.839 ( 3.317 -0.000 -12.206) 12.649 18.711 ( 2.111 -0.000 5.781) 6.155 20.116 ( 5.769 -0.000 11.128) 12.535 21.009 ( -1.143 0.000 0.178) 1.157 21.737 ( 15.423 -0.000 -3.426) 15.799 25.057 ( 3.333 -0.000 -8.549) 9.176 26.352 ( -7.525 0.000 4.462) 8.748 26.857 ( -2.320 0.000 5.453) 5.926 27.528 ( -12.526 0.000 -4.882) 13.444 ======================= Grid point 392 (192/227) ======================= q-point: (-0.20 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( -1.441 3.472 6.250) 7.294 3.500 ( -6.240 1.528 4.933) 8.100 3.802 ( -0.365 -1.433 -2.384) 2.806 4.398 ( -7.355 3.116 -3.937) 8.905 4.738 ( 16.267 -2.462 -9.707) 19.102 5.378 ( -31.194 5.940 0.414) 31.757 5.696 ( 6.186 1.946 -5.572) 8.550 5.960 ( -7.507 1.278 -7.007) 10.348 6.108 ( 2.706 -3.321 -5.261) 6.785 6.775 ( -16.246 0.319 -5.546) 17.169 6.847 ( 5.561 0.657 -7.819) 9.617 7.393 ( -6.344 1.156 4.043) 7.611 7.589 ( 7.157 -4.416 0.084) 8.410 7.837 ( 14.855 -5.702 5.534) 16.846 8.585 ( 10.913 0.009 18.018) 21.066 8.690 ( -18.445 0.534 4.375) 18.964 9.565 ( -8.085 1.738 3.928) 9.156 9.862 ( -18.770 -7.742 -6.759) 21.399 11.112 ( 3.466 3.091 -20.770) 21.283 11.405 ( 1.097 3.380 -7.889) 8.652 11.983 ( 3.842 -2.878 15.074) 15.820 12.295 ( 3.382 2.079 2.395) 4.636 12.682 ( 8.047 -0.296 -2.124) 8.328 12.912 ( -4.228 -1.009 21.146) 21.588 13.320 ( 2.016 -0.313 -13.585) 13.738 13.852 ( 9.379 9.075 3.762) 13.582 14.131 ( -0.174 -7.913 0.251) 7.919 14.670 ( 6.665 2.520 0.298) 7.132 14.959 ( -8.654 7.274 3.882) 11.952 15.047 ( -4.328 -0.851 5.667) 7.181 15.168 ( 5.339 3.742 -7.769) 10.142 15.538 ( 3.026 -4.405 -17.070) 17.887 16.076 ( -2.995 -5.373 2.912) 6.806 16.389 ( 9.640 -3.533 6.422) 12.110 16.766 ( 13.534 -1.506 -1.948) 13.757 17.277 ( -1.774 -0.016 0.500) 1.843 17.904 ( 3.662 -0.723 -8.937) 9.685 18.687 ( -1.193 6.675 6.138) 9.146 20.250 ( 7.271 -2.988 12.573) 14.829 20.940 ( -6.188 0.495 2.185) 6.581 21.915 ( 4.552 -0.031 -5.530) 7.162 25.124 ( 5.538 2.402 -10.340) 11.973 26.195 ( -6.984 4.363 2.751) 8.682 26.861 ( -0.764 -4.574 5.492) 7.189 27.309 ( -12.059 -1.086 -2.659) 12.397 ======================= Grid point 393 (193/227) ======================= q-point: (-0.10 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( -4.634 4.520 11.531) 13.223 3.338 ( -9.440 2.048 8.352) 12.769 3.839 ( 1.930 -2.234 -2.727) 4.019 4.287 ( -4.789 -0.384 -9.424) 10.578 4.789 ( -26.420 -2.679 12.679) 29.427 5.023 ( 11.727 -3.244 -8.546) 14.869 5.578 ( -11.738 7.104 2.748) 13.992 5.952 ( 1.105 5.511 -18.580) 19.411 6.225 ( 6.999 -7.202 -8.291) 13.023 6.523 ( -11.124 -5.894 -11.848) 17.287 6.950 ( 5.838 5.119 -2.513) 8.161 7.282 ( -7.485 -4.459 11.712) 14.597 7.739 ( 5.566 0.274 2.680) 6.184 8.123 ( 11.543 -3.669 2.795) 12.431 8.453 ( -8.725 -4.603 0.259) 9.868 8.789 ( 10.485 3.488 15.875) 19.342 9.431 ( -4.151 -1.948 -4.281) 6.273 9.680 ( -14.728 -12.558 -2.741) 19.548 11.141 ( 4.486 3.645 -15.218) 16.279 11.421 ( 4.974 3.335 -7.510) 9.606 11.948 ( -4.671 3.368 20.843) 21.624 12.390 ( 9.774 2.413 -6.096) 11.769 12.848 ( 0.977 -1.597 11.877) 12.024 12.897 ( 5.911 -2.894 8.529) 10.773 13.346 ( 2.147 2.627 -10.054) 10.611 13.850 ( 2.722 8.087 -3.148) 9.095 14.229 ( 1.224 -4.323 4.179) 6.136 14.672 ( -7.693 2.675 1.081) 8.216 14.772 ( 2.474 7.977 -0.919) 8.402 14.995 ( -1.358 0.202 4.660) 4.859 15.232 ( 6.261 5.042 -7.575) 11.045 15.600 ( -0.849 -5.385 -12.200) 13.362 16.066 ( -3.076 -5.025 -0.618) 5.924 16.576 ( 6.929 -1.662 4.795) 8.589 17.077 ( 15.974 -3.983 -3.212) 16.773 17.279 ( 3.244 -0.383 -0.346) 3.285 17.957 ( 1.480 0.211 -3.688) 3.980 18.544 ( -3.668 11.699 6.360) 13.812 20.404 ( 4.387 -3.924 10.524) 12.058 20.814 ( -5.785 0.931 7.360) 9.407 21.879 ( -8.157 1.019 -7.231) 10.948 25.161 ( 4.314 8.967 -7.749) 12.612 26.073 ( -2.546 0.370 -0.905) 2.727 26.872 ( -4.073 -2.514 1.445) 5.000 27.199 ( -4.510 -9.360 0.832) 10.423 ======================= Grid point 402 (194/227) ======================= q-point: (-0.20 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -5.027 0.000 12.994) 13.932 3.368 ( -9.828 0.000 9.166) 13.439 3.814 ( 1.963 -0.000 -2.781) 3.404 4.275 ( -10.724 0.000 -8.979) 13.987 4.767 ( -31.390 0.000 14.551) 34.599 4.995 ( 13.302 -0.000 -10.800) 17.135 5.668 ( -17.436 0.000 7.241) 18.880 5.970 ( 16.309 -0.000 -25.260) 30.068 6.191 ( 3.245 -0.000 -10.912) 11.384 6.413 ( -21.250 0.000 -8.308) 22.816 7.015 ( 11.079 -0.000 -8.829) 14.167 7.244 ( -10.245 0.000 16.831) 19.704 7.736 ( 10.636 -0.000 1.698) 10.771 8.084 ( 13.001 -0.000 -2.536) 13.246 8.403 ( -12.435 0.000 5.094) 13.438 8.836 ( 14.901 -0.000 16.936) 22.558 9.453 ( -20.093 0.000 -7.639) 21.497 9.488 ( -2.967 0.000 1.029) 3.141 11.164 ( 1.686 -0.000 -15.263) 15.355 11.486 ( 6.291 -0.000 -11.828) 13.397 11.970 ( -2.916 0.000 24.319) 24.493 12.419 ( 9.836 -0.000 -3.578) 10.467 12.826 ( -4.927 0.000 22.023) 22.568 12.864 ( 10.978 -0.000 -1.807) 11.125 13.377 ( 4.322 -0.000 -15.326) 15.923 14.014 ( -3.808 0.000 -3.147) 4.940 14.104 ( 8.490 -0.000 7.613) 11.404 14.688 ( -4.352 0.000 0.258) 4.359 14.921 ( -7.644 0.000 3.808) 8.540 14.975 ( 2.788 -0.000 -0.434) 2.822 15.317 ( 9.132 -0.000 -1.624) 9.275 15.503 ( -2.765 0.000 -15.992) 16.230 16.009 ( -1.807 0.000 -0.936) 2.035 16.555 ( 10.111 -0.000 6.505) 12.023 17.028 ( 16.967 -0.000 -3.824) 17.392 17.273 ( 2.014 -0.000 1.109) 2.299 17.957 ( 2.504 -0.000 -6.204) 6.690 18.684 ( -3.613 0.000 6.882) 7.773 20.350 ( 4.855 -0.000 11.327) 12.323 20.824 ( -6.247 0.000 6.376) 8.926 21.891 ( -7.467 0.000 -7.496) 10.580 25.266 ( 9.109 -0.000 -12.933) 15.819 26.091 ( -7.152 0.000 1.925) 7.406 26.843 ( 0.896 -0.000 5.630) 5.701 27.081 ( -12.233 0.000 -1.770) 12.360 ======================= Grid point 403 (195/227) ======================= q-point: (-0.10 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -4.873 3.049 16.627) 17.593 3.173 ( -11.441 0.536 13.495) 17.700 3.855 ( 1.040 -1.409 -2.514) 3.064 3.900 ( -29.566 -7.768 1.234) 30.594 4.563 ( 2.638 -1.224 12.780) 13.107 5.173 ( 6.617 -0.834 -6.879) 9.581 5.377 ( -13.955 2.077 6.817) 15.669 5.942 ( -12.356 9.086 -6.937) 16.833 6.189 ( -14.091 -12.810 -11.230) 22.107 6.381 ( 17.488 -4.143 -26.121) 31.706 7.044 ( -9.497 2.469 20.748) 22.951 7.200 ( 8.332 1.356 -3.531) 9.150 7.887 ( 7.153 5.561 0.663) 9.085 8.204 ( -0.019 -6.403 -15.119) 16.419 8.333 ( 1.139 -2.927 3.098) 4.412 8.970 ( 1.503 8.681 14.795) 17.220 9.248 ( -7.962 -13.285 1.211) 15.536 9.516 ( 6.096 -0.676 -7.708) 9.850 11.186 ( 1.008 -0.707 -11.360) 11.427 11.617 ( 11.648 4.386 -8.463) 15.051 11.945 ( 1.252 1.490 19.987) 20.082 12.599 ( 11.232 1.705 -5.658) 12.692 12.757 ( -4.867 -2.261 20.397) 21.091 13.030 ( 7.233 -0.870 3.058) 7.901 13.447 ( 5.443 3.317 -12.259) 13.817 13.922 ( -1.958 4.635 -4.758) 6.925 14.208 ( -0.032 -3.229 8.488) 9.082 14.603 ( -3.639 5.113 -1.964) 6.576 14.772 ( -6.391 -0.320 0.834) 6.453 15.042 ( 4.686 0.490 -1.307) 4.889 15.371 ( -0.125 6.923 -9.248) 11.554 15.528 ( 2.054 -5.952 -4.757) 7.892 16.021 ( 2.537 -2.205 -3.094) 4.568 16.699 ( 6.732 0.955 2.262) 7.166 17.282 ( 10.028 4.172 0.623) 10.879 17.413 ( 13.637 -5.732 -0.891) 14.820 17.975 ( 0.006 0.502 -0.864) 0.999 18.567 ( -5.230 7.052 7.221) 11.368 20.368 ( -5.157 -2.061 3.583) 6.609 20.792 ( 3.171 -0.441 16.516) 16.824 21.647 ( -19.607 1.043 -9.424) 21.779 25.380 ( 8.610 12.328 -10.279) 18.215 26.007 ( -2.534 -5.133 -1.093) 5.828 26.788 ( -6.333 4.304 1.011) 7.724 27.002 ( -3.717 -14.693 0.554) 15.166 ======================= Grid point 413 (196/227) ======================= q-point: (-0.10 -0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 220 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 0.294 -0.000 19.295) 19.298 2.964 ( -11.877 0.000 19.129) 22.516 3.372 ( -21.340 0.000 15.449) 26.345 3.874 ( 1.087 -0.000 -6.301) 6.394 4.687 ( 10.536 -0.000 9.991) 14.520 5.167 ( -8.031 0.000 14.235) 16.344 5.246 ( -0.755 0.000 -7.969) 8.005 5.722 ( -23.297 0.000 9.628) 25.208 5.821 ( -11.217 0.000 -9.454) 14.669 6.661 ( 9.203 -0.000 -19.656) 21.704 6.825 ( -11.511 0.000 11.989) 16.620 7.394 ( 9.705 -0.000 -5.149) 10.986 8.074 ( 6.895 -0.000 1.979) 7.173 8.123 ( 1.888 -0.000 -27.283) 27.348 8.290 ( -5.082 0.000 -8.161) 9.614 9.024 ( -3.275 0.000 5.095) 6.056 9.079 ( -0.211 0.000 16.931) 16.933 9.677 ( 10.356 -0.000 -11.989) 15.842 11.193 ( 0.829 -0.000 -8.714) 8.753 11.885 ( 16.149 -0.000 -6.127) 17.272 12.025 ( 6.051 -0.000 17.935) 18.928 12.665 ( -4.655 0.000 17.699) 18.301 12.796 ( 10.234 -0.000 -5.722) 11.726 13.121 ( 4.022 -0.000 4.523) 6.053 13.571 ( 6.126 -0.000 -10.557) 12.206 13.902 ( -2.234 0.000 -4.164) 4.726 14.155 ( -3.493 0.000 7.932) 8.667 14.603 ( -9.130 0.000 1.921) 9.330 14.651 ( 2.449 -0.000 -5.459) 5.983 15.117 ( 3.789 -0.000 -2.882) 4.760 15.310 ( -7.510 0.000 -11.746) 13.942 15.565 ( 2.152 -0.000 0.036) 2.152 16.104 ( 7.118 -0.000 -5.019) 8.709 16.833 ( 8.939 -0.000 -0.960) 8.991 17.527 ( 5.598 -0.000 3.554) 6.631 17.560 ( 11.372 -0.000 -1.313) 11.448 18.007 ( 7.269 -0.000 6.971) 10.071 18.514 ( -4.756 0.000 6.549) 8.094 20.229 ( -8.259 0.000 1.115) 8.334 20.881 ( 4.027 -0.000 21.283) 21.660 21.235 ( -25.522 0.000 -12.802) 28.553 25.690 ( 15.192 -0.000 -11.644) 19.141 25.888 ( -4.110 0.000 -0.083) 4.111 26.724 ( -7.680 0.000 0.308) 7.686 26.796 ( -6.766 0.000 -0.705) 6.803 ======================= Grid point 414 (197/227) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( 0.000 -0.000 0.000) 0.000 3.069 ( 0.000 -0.000 0.000) 0.000 3.386 ( -0.000 0.000 0.000) 0.000 3.748 ( -0.000 0.000 0.000) 0.000 5.032 ( 0.000 -0.000 0.000) 0.000 5.110 ( 0.000 -0.000 0.000) 0.000 5.347 ( -0.000 0.000 -0.000) 0.000 5.357 ( 0.000 -0.000 0.000) 0.000 5.494 ( -0.000 0.000 -0.000) 0.000 6.346 ( 0.000 -0.000 0.000) 0.000 6.731 ( 0.000 -0.000 -0.000) 0.000 7.575 ( -0.000 0.000 0.000) 0.000 7.658 ( 0.000 -0.000 0.000) 0.000 8.187 ( 0.000 -0.000 0.000) 0.000 8.188 ( -0.000 0.000 0.000) 0.000 9.088 ( 0.000 -0.000 0.000) 0.000 9.283 ( 0.000 -0.000 0.000) 0.000 9.647 ( 0.000 -0.000 0.000) 0.000 11.153 ( -0.000 0.000 0.000) 0.000 12.385 ( 0.000 -0.000 0.000) 0.000 12.429 ( 0.000 -0.000 0.000) 0.000 12.608 ( -0.000 0.000 0.000) 0.000 12.965 ( 0.000 -0.000 0.000) 0.000 13.224 ( -0.000 0.000 0.000) 0.000 13.570 ( 0.000 -0.000 0.000) 0.000 13.816 ( 0.000 -0.000 0.000) 0.000 14.143 ( 0.000 -0.000 0.000) 0.000 14.455 ( 0.000 -0.000 0.000) 0.000 14.625 ( -0.000 0.000 0.000) 0.000 14.976 ( 0.000 -0.000 0.000) 0.000 15.155 ( -0.000 0.000 0.000) 0.000 15.580 ( 0.000 -0.000 0.000) 0.000 16.147 ( -0.000 0.000 0.000) 0.000 17.210 ( 0.000 -0.000 0.000) 0.000 17.305 ( -0.000 0.000 0.000) 0.000 17.762 ( 0.000 -0.000 0.000) 0.000 18.495 ( -0.000 0.000 0.000) 0.000 18.759 ( 0.000 -0.000 0.000) 0.000 20.080 ( 0.000 -0.000 0.000) 0.000 20.204 ( 0.000 -0.000 0.000) 0.000 21.308 ( 0.000 -0.000 0.000) 0.000 25.811 ( -0.000 0.000 0.000) 0.000 26.055 ( -0.000 0.000 0.000) 0.000 26.356 ( 0.000 -0.000 0.000) 0.000 26.594 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 416 (198/227) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 2.973 16.269 -6.318) 17.704 3.220 ( 3.075 -16.343 -5.024) 17.372 3.414 ( 3.545 -2.331 -1.150) 4.396 3.792 ( 2.090 -3.828 -1.131) 4.505 4.984 ( -1.407 1.868 0.137) 2.343 5.086 ( -1.616 1.139 5.210) 5.572 5.334 ( 0.635 3.824 -9.699) 10.445 5.448 ( 3.394 -8.936 13.957) 16.917 5.641 ( 4.172 -11.697 -2.018) 12.582 6.148 ( -13.090 -3.610 34.082) 36.687 7.010 ( 20.193 -2.372 -5.043) 20.948 7.508 ( -6.233 1.376 -4.173) 7.627 7.606 ( -2.300 3.233 -1.302) 4.176 8.083 ( 1.151 6.474 1.623) 6.773 8.334 ( -1.522 -14.291 -5.029) 15.227 9.100 ( 5.401 7.579 -8.107) 12.342 9.316 ( 2.499 -1.736 1.244) 3.288 9.637 ( -4.360 -5.396 -3.347) 7.703 11.141 ( -1.586 -0.550 0.026) 1.678 12.177 ( -18.806 1.704 -2.133) 19.003 12.320 ( -3.901 4.121 -1.775) 5.946 12.780 ( 9.599 4.717 -5.557) 12.053 12.889 ( -5.204 -1.905 1.365) 5.707 13.240 ( 1.829 1.917 -4.392) 5.129 13.526 ( -3.598 1.286 0.774) 3.899 13.778 ( -1.788 2.560 4.033) 5.100 14.201 ( 3.460 -3.582 -0.130) 4.981 14.449 ( 4.526 10.640 -3.677) 12.133 14.646 ( -0.436 -6.034 0.194) 6.053 15.013 ( 3.754 0.243 5.337) 6.530 15.131 ( -1.886 0.335 0.164) 1.923 15.579 ( -1.357 -1.043 1.032) 1.999 16.132 ( -1.786 -0.044 -1.484) 2.323 16.996 ( -12.239 2.451 0.829) 12.510 17.461 ( 8.929 3.241 0.387) 9.507 17.661 ( -7.971 3.713 4.037) 9.676 18.436 ( -10.267 9.431 -2.100) 14.098 18.562 ( -8.844 -3.549 -4.622) 10.591 20.105 ( 3.552 -0.898 1.991) 4.170 20.537 ( 29.179 -0.550 4.101) 29.471 21.292 ( -2.003 -0.113 -8.043) 8.290 25.506 ( -5.869 28.527 4.011) 29.400 26.070 ( -11.340 -18.898 2.883) 22.227 26.543 ( 9.017 -2.809 -1.198) 9.520 26.737 ( 8.075 -15.021 2.253) 17.202 ======================= Grid point 417 (199/227) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 7.299 15.595 -8.603) 19.248 3.377 ( 0.109 -7.439 -9.038) 11.706 3.625 ( 10.880 -11.872 6.079) 17.213 3.885 ( 2.536 -5.786 -3.386) 7.167 4.961 ( -1.533 -2.073 -8.304) 8.695 5.050 ( -1.412 0.519 9.250) 9.372 5.270 ( -0.931 6.888 -3.817) 7.930 5.642 ( 6.521 -9.225 18.971) 22.079 5.699 ( -6.370 -7.160 20.531) 22.658 6.192 ( 4.381 -13.849 8.714) 16.939 7.239 ( -0.878 1.914 -6.619) 6.946 7.442 ( 1.558 -0.985 -12.732) 12.864 7.584 ( 5.391 -0.609 13.734) 14.766 8.069 ( -1.259 -2.805 7.417) 8.029 8.448 ( 2.756 -7.724 -10.022) 12.949 9.095 ( 3.155 8.157 -9.506) 12.917 9.375 ( 0.483 -1.980 7.820) 8.081 9.623 ( -3.908 -8.717 -13.895) 16.862 11.115 ( -2.757 -1.541 0.939) 3.295 11.810 ( -18.170 5.144 -4.136) 19.331 12.206 ( -2.324 6.059 -5.489) 8.499 12.623 ( -12.176 3.924 5.841) 14.063 13.013 ( 9.139 1.537 -7.677) 12.034 13.202 ( -3.797 2.534 -2.942) 5.431 13.455 ( -1.979 1.513 -6.234) 6.714 13.727 ( -0.850 2.844 4.943) 5.766 14.305 ( 4.062 -1.111 -2.044) 4.681 14.397 ( 3.843 9.488 1.114) 10.297 14.714 ( 2.622 -0.492 -1.137) 2.900 15.056 ( -1.195 -2.301 5.848) 6.397 15.125 ( 2.394 0.477 0.567) 2.506 15.532 ( -4.712 0.083 4.362) 6.422 16.098 ( -2.216 -1.941 -3.689) 4.720 16.805 ( -5.650 4.024 -0.916) 6.997 17.419 ( -7.802 4.106 -0.117) 8.818 17.529 ( -3.662 3.847 5.973) 7.993 18.105 ( -13.604 2.364 -0.495) 13.817 18.529 ( 2.185 6.561 -4.637) 8.327 20.212 ( 6.982 -1.102 4.580) 8.423 21.021 ( 16.966 -3.799 9.703) 19.910 21.262 ( 6.401 5.469 -16.205) 18.262 25.174 ( -4.738 16.458 5.769) 18.072 26.063 ( -4.537 -6.859 1.391) 8.340 26.702 ( 4.189 -7.803 -2.081) 9.097 27.045 ( 6.184 -15.792 4.171) 17.465 ======================= Grid point 418 (200/227) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 7.709 12.312 -8.079) 16.622 3.421 ( 0.547 -2.124 -6.735) 7.083 3.888 ( 2.991 -5.004 -0.393) 5.843 3.973 ( 1.126 -8.617 9.041) 12.540 5.003 ( 0.871 -5.591 -9.671) 11.205 5.039 ( -1.555 -6.114 5.324) 8.255 5.220 ( 8.109 11.935 3.184) 14.776 5.680 ( -4.181 -6.818 15.112) 17.098 5.831 ( 6.237 -3.997 18.145) 19.599 6.431 ( 3.965 -15.454 0.983) 15.985 7.113 ( -7.896 0.743 -7.326) 10.797 7.439 ( -0.682 0.782 -5.544) 5.640 7.734 ( 6.781 2.458 3.972) 8.234 8.131 ( 0.294 -11.467 10.668) 15.665 8.569 ( 3.389 -3.120 -10.623) 11.579 9.038 ( -2.964 3.572 -2.016) 5.060 9.362 ( -1.997 -2.906 2.497) 4.321 9.725 ( 4.593 -9.265 -12.139) 15.947 11.055 ( -6.813 -0.649 2.789) 7.391 11.489 ( -10.739 4.798 -4.897) 12.741 12.122 ( 1.596 8.450 -7.888) 11.669 12.373 ( -11.284 3.748 6.567) 13.583 13.033 ( -6.551 2.274 6.653) 9.610 13.128 ( 1.158 2.676 -9.276) 9.724 13.437 ( 0.536 -0.426 -10.768) 10.789 13.691 ( 1.611 5.104 -0.278) 5.360 14.289 ( -0.048 4.980 -1.404) 5.174 14.479 ( 8.736 2.445 2.967) 9.544 14.694 ( -2.269 5.062 1.652) 5.788 15.064 ( -1.093 -3.297 4.402) 5.607 15.137 ( -1.566 0.737 -2.784) 3.278 15.461 ( -2.036 -0.764 6.989) 7.320 16.126 ( 1.890 -4.447 -5.717) 7.485 16.697 ( -1.989 4.809 -2.043) 5.591 17.256 ( -10.758 -0.570 4.821) 11.803 17.356 ( -6.696 5.240 1.886) 8.709 17.955 ( -3.665 0.149 1.393) 3.924 18.474 ( 1.135 9.146 -3.227) 9.765 20.354 ( 7.784 -0.299 6.443) 10.109 21.051 ( -6.673 -1.704 -3.252) 7.616 21.533 ( 20.881 4.129 -3.188) 21.522 25.001 ( -1.689 7.406 3.972) 8.572 26.057 ( -1.718 -2.410 0.667) 3.034 26.847 ( 3.127 -7.369 -2.063) 8.267 27.259 ( 2.146 -11.710 3.275) 12.347 ======================= Grid point 419 (201/227) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 3.891 7.005 -4.652) 9.266 3.454 ( 1.687 -0.499 -3.784) 4.173 3.836 ( -6.130 -0.096 0.560) 6.156 4.102 ( 2.820 -3.975 5.997) 7.728 5.025 ( -1.459 -4.296 4.105) 6.118 5.116 ( 1.344 -2.879 -1.302) 3.434 5.308 ( 8.174 4.431 -3.755) 10.028 5.685 ( -2.964 -4.765 5.942) 8.173 5.970 ( 7.860 0.249 14.645) 16.623 6.641 ( 3.796 -12.326 0.152) 12.898 6.987 ( -5.195 0.859 -7.515) 9.176 7.405 ( -2.641 0.470 2.481) 3.655 7.776 ( 2.400 2.240 -1.256) 3.515 8.255 ( 1.633 -6.268 2.986) 7.132 8.601 ( -1.499 -1.227 -8.074) 8.303 8.890 ( -9.498 1.367 2.390) 9.889 9.484 ( 9.042 -6.881 -2.183) 11.570 9.902 ( 4.716 -5.544 -2.366) 7.654 10.877 ( -10.265 2.731 1.203) 10.690 11.369 ( -1.518 0.152 -2.670) 3.075 12.085 ( 4.625 9.089 -6.652) 12.176 12.176 ( -7.832 1.355 4.869) 9.321 12.877 ( -8.197 0.010 5.154) 9.683 13.106 ( -0.138 2.615 -3.489) 4.362 13.451 ( 0.816 0.774 -5.846) 5.953 13.688 ( 2.641 2.656 -5.905) 6.993 14.247 ( 0.410 3.661 -0.468) 3.713 14.498 ( -4.194 3.708 8.372) 10.072 14.678 ( 7.995 2.431 -4.102) 9.309 15.011 ( -7.155 -0.187 5.825) 9.228 15.125 ( 0.273 -1.920 -4.179) 4.607 15.481 ( 1.863 -0.862 3.761) 4.285 16.237 ( 4.938 -4.112 -5.753) 8.625 16.635 ( -0.858 1.852 -0.955) 2.253 17.005 ( -12.422 4.418 6.807) 14.838 17.294 ( -0.672 -0.818 -0.749) 1.297 17.926 ( -0.978 -1.103 1.381) 2.019 18.393 ( -0.062 7.136 -1.567) 7.306 20.472 ( 5.358 0.528 5.714) 7.851 20.959 ( -4.569 -0.820 -4.613) 6.545 21.781 ( 10.795 1.879 -0.359) 10.963 24.938 ( -0.270 2.560 1.715) 3.093 26.053 ( -0.569 -0.730 0.268) 0.964 26.951 ( 1.727 -4.207 -1.257) 4.718 27.372 ( 0.407 -6.155 1.628) 6.380 ======================= Grid point 420 (202/227) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -0.000 0.000 0.000) 0.000 3.475 ( -0.000 0.000 0.000) 0.000 3.772 ( -0.000 0.000 0.000) 0.000 4.145 ( -0.000 0.000 0.000) 0.000 5.042 ( 0.000 0.000 0.000) 0.000 5.145 ( -0.000 0.000 0.000) 0.000 5.348 ( -0.000 -0.000 0.000) 0.000 5.679 ( -0.000 0.000 0.000) 0.000 6.055 ( -0.000 0.000 0.000) 0.000 6.775 ( -0.000 -0.000 0.000) 0.000 6.918 ( -0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.786 ( -0.000 0.000 0.000) 0.000 8.304 ( -0.000 0.000 0.000) 0.000 8.581 ( -0.000 -0.000 0.000) 0.000 8.784 ( -0.000 0.000 0.000) 0.000 9.649 ( -0.000 0.000 0.000) 0.000 9.961 ( -0.000 -0.000 0.000) 0.000 10.753 ( -0.000 0.000 0.000) 0.000 11.365 ( -0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 -0.000) 0.000 12.092 ( -0.000 -0.000 0.000) 0.000 12.797 ( -0.000 -0.000 0.000) 0.000 13.089 ( -0.000 -0.000 0.000) 0.000 13.450 ( -0.000 0.000 0.000) 0.000 13.703 ( -0.000 0.000 0.000) 0.000 14.229 ( -0.000 0.000 0.000) 0.000 14.428 ( -0.000 0.000 0.000) 0.000 14.775 ( 0.000 0.000 0.000) 0.000 14.914 ( -0.000 0.000 0.000) 0.000 15.140 ( -0.000 0.000 0.000) 0.000 15.507 ( -0.000 0.000 0.000) 0.000 16.319 ( 0.000 -0.000 0.000) 0.000 16.628 ( -0.000 0.000 0.000) 0.000 16.842 ( -0.000 0.000 0.000) 0.000 17.297 ( -0.000 0.000 0.000) 0.000 17.927 ( -0.000 0.000 0.000) 0.000 18.351 ( -0.000 0.000 0.000) 0.000 20.519 ( -0.000 0.000 0.000) 0.000 20.921 ( -0.000 0.000 0.000) 0.000 21.865 ( -0.000 0.000 0.000) 0.000 24.925 ( -0.000 0.000 0.000) 0.000 26.052 ( -0.000 0.000 0.000) 0.000 26.988 ( -0.000 -0.000 0.000) 0.000 27.406 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 427 (203/227) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 4.272 -0.000 -17.035) 17.563 3.224 ( 7.430 -0.000 -3.156) 8.073 3.505 ( 9.669 -0.000 4.737) 10.767 3.820 ( 2.752 -0.000 -3.195) 4.217 4.931 ( -3.960 0.000 -10.669) 11.380 5.040 ( -4.090 0.000 11.049) 11.782 5.442 ( 5.549 -0.000 -11.226) 12.523 5.541 ( 11.001 -0.000 16.366) 19.720 5.571 ( -3.379 0.000 25.612) 25.834 6.016 ( -0.278 0.000 17.430) 17.432 7.320 ( 15.024 -0.000 5.313) 15.936 7.349 ( -11.670 0.000 -1.378) 11.752 7.577 ( -0.479 0.000 3.083) 3.120 8.082 ( -5.690 0.000 1.330) 5.843 8.344 ( 10.412 -0.000 -14.173) 17.586 9.222 ( 3.335 -0.000 -12.882) 13.306 9.352 ( -0.122 0.000 10.182) 10.182 9.500 ( -4.872 0.000 -14.172) 14.986 11.099 ( -2.838 0.000 0.654) 2.913 11.863 ( -17.985 0.000 -3.907) 18.404 12.271 ( -2.814 0.000 -3.583) 4.556 12.663 ( -13.522 0.000 7.035) 15.242 13.027 ( 10.989 -0.000 -15.266) 18.810 13.227 ( -5.649 0.000 -1.249) 5.786 13.475 ( -3.156 0.000 -6.770) 7.469 13.765 ( 0.381 -0.000 8.437) 8.445 14.275 ( 6.189 -0.000 -3.350) 7.038 14.530 ( -3.142 0.000 5.441) 6.283 14.687 ( 10.012 -0.000 -6.400) 11.883 15.029 ( -3.491 0.000 5.730) 6.709 15.135 ( 3.691 -0.000 3.437) 5.044 15.531 ( -4.490 0.000 3.559) 5.729 16.080 ( -3.400 0.000 -3.933) 5.199 16.845 ( -5.763 0.000 -1.656) 5.996 17.483 ( -13.674 0.000 5.711) 14.819 17.565 ( -0.901 0.000 0.218) 0.927 18.098 ( -17.697 0.000 -1.218) 17.739 18.631 ( 5.420 -0.000 -4.107) 6.800 20.198 ( 7.207 -0.000 4.155) 8.319 20.966 ( 12.409 -0.000 11.005) 16.586 21.325 ( 11.147 -0.000 -19.330) 22.313 25.441 ( -18.003 0.000 12.065) 21.673 25.899 ( 4.947 -0.000 -1.145) 5.078 26.721 ( 7.039 -0.000 0.593) 7.064 26.773 ( 8.743 -0.000 1.241) 8.831 ======================= Grid point 428 (204/227) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.831 ( 4.674 9.885 -17.459) 20.600 3.370 ( 5.305 -2.719 -3.785) 7.061 3.758 ( 14.245 -4.640 13.215) 19.977 3.867 ( 0.514 -2.586 -4.210) 4.967 4.913 ( 3.435 -2.026 -15.008) 15.528 4.956 ( -7.091 -2.333 11.622) 13.813 5.476 ( 5.588 8.778 11.302) 15.363 5.573 ( 0.433 -2.301 9.361) 9.649 5.778 ( 14.207 0.394 19.073) 23.786 6.115 ( 2.217 -13.207 5.149) 14.348 7.125 ( -11.252 1.001 -2.117) 11.493 7.449 ( -0.363 -0.072 -7.902) 7.911 7.710 ( 11.312 -3.834 20.957) 24.121 7.970 ( -6.989 -2.237 1.270) 7.447 8.537 ( 9.251 -0.509 -16.421) 18.854 9.162 ( -7.387 6.571 2.894) 10.302 9.299 ( -1.203 -3.516 -3.054) 4.810 9.561 ( 5.920 -5.248 -16.547) 18.341 11.040 ( -4.716 -0.491 2.438) 5.332 11.570 ( -13.220 2.317 -4.378) 14.118 12.243 ( 1.062 2.904 -5.249) 6.092 12.424 ( -12.498 1.335 9.295) 15.632 13.066 ( -10.552 0.811 3.641) 11.192 13.176 ( 6.181 1.579 -16.898) 18.062 13.402 ( -4.740 -1.576 -11.478) 12.517 13.808 ( 5.493 4.012 4.002) 7.892 14.327 ( -2.622 -0.333 -2.527) 3.657 14.527 ( 5.901 1.586 5.439) 8.181 14.818 ( 5.231 5.960 -3.149) 8.533 14.981 ( -1.464 -4.229 3.579) 5.731 15.191 ( 2.088 3.212 4.152) 5.649 15.419 ( -7.644 -2.490 6.717) 10.476 16.058 ( 0.840 -1.799 -7.197) 7.466 16.778 ( -2.010 2.391 -4.717) 5.658 17.229 ( -14.505 -1.019 4.773) 15.304 17.435 ( -10.356 1.781 -1.098) 10.565 17.912 ( -6.755 -1.957 5.124) 8.701 18.678 ( 3.962 6.872 -3.075) 8.507 20.339 ( 7.653 -0.748 5.735) 9.592 20.986 ( -5.699 -2.795 0.937) 6.417 21.617 ( 18.238 2.814 -8.929) 20.501 25.151 ( -9.975 5.260 10.926) 15.702 26.014 ( 4.868 -1.941 -1.389) 5.422 26.797 ( 6.942 4.147 0.007) 8.086 26.994 ( 5.372 -12.867 1.276) 14.002 ======================= Grid point 429 (205/227) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 0.361 10.233 -11.798) 15.622 3.454 ( 3.257 0.073 -1.069) 3.429 3.844 ( -2.696 0.682 -4.040) 4.905 4.038 ( 11.285 -2.123 11.579) 16.307 4.859 ( -8.752 -7.366 7.223) 13.528 5.103 ( 14.388 0.561 -13.713) 19.884 5.494 ( 4.664 5.827 14.651) 16.443 5.601 ( 2.583 1.702 3.185) 4.440 6.001 ( 10.827 1.499 16.581) 19.859 6.338 ( 6.603 -15.448 3.053) 17.075 6.969 ( -6.976 -2.071 -3.983) 8.295 7.411 ( -2.641 1.198 -0.563) 2.954 7.789 ( -4.317 -0.710 -0.860) 4.459 8.018 ( 0.909 -12.775 10.683) 16.678 8.645 ( 6.206 3.024 -14.741) 16.278 8.938 ( -10.780 2.818 3.926) 11.813 9.404 ( 10.267 -0.565 -4.338) 11.160 9.757 ( 8.327 -7.846 -9.051) 14.588 10.918 ( -9.192 1.314 5.020) 10.555 11.396 ( -3.504 1.862 -5.468) 6.756 12.171 ( -10.024 -0.221 7.342) 12.427 12.269 ( 0.678 6.476 0.169) 6.514 12.884 ( -8.211 0.460 1.045) 8.290 13.176 ( -1.492 4.119 -7.212) 8.438 13.398 ( -0.111 -5.169 -16.466) 17.259 13.826 ( 3.558 9.096 -2.531) 10.090 14.265 ( -3.924 -2.669 0.129) 4.748 14.586 ( -1.588 3.826 8.704) 9.640 14.788 ( 6.251 8.043 -1.162) 10.252 15.035 ( -1.420 0.724 5.266) 5.502 15.106 ( -2.151 1.985 -1.305) 3.205 15.413 ( -0.033 -5.810 3.975) 7.040 16.145 ( 5.268 -4.209 -8.578) 10.911 16.687 ( -4.429 3.028 -4.988) 7.325 17.005 ( -15.029 -3.292 2.908) 15.657 17.289 ( -3.202 0.200 0.151) 3.212 17.842 ( -5.559 -4.126 7.246) 10.022 18.631 ( 2.098 11.700 -1.660) 12.002 20.453 ( 2.875 -2.040 5.154) 6.245 20.920 ( -3.923 -2.370 -0.772) 4.648 21.826 ( 8.657 2.250 -3.312) 9.538 24.994 ( -4.378 2.369 7.435) 8.948 26.091 ( 4.934 3.239 -2.245) 6.315 26.883 ( 4.601 -0.995 0.098) 4.709 27.202 ( 4.940 -9.651 0.669) 10.863 ======================= Grid point 430 (206/227) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -3.569 6.752 -5.716) 9.540 3.483 ( 0.259 0.275 2.643) 2.670 3.800 ( 1.368 2.655 -2.877) 4.147 4.183 ( 5.811 3.506 3.050) 7.441 4.836 ( -5.946 -12.733 -1.017) 14.089 5.276 ( 10.129 9.613 -1.171) 14.014 5.498 ( 4.186 9.560 7.406) 12.797 5.651 ( 3.520 -2.237 1.311) 4.372 6.092 ( 1.518 2.779 6.492) 7.224 6.659 ( 12.932 -9.501 4.356) 16.628 6.907 ( -2.976 -1.669 -3.353) 4.784 7.345 ( -3.716 -0.705 3.371) 5.066 7.728 ( -5.833 -5.492 0.656) 8.038 8.123 ( -3.705 -13.248 -0.147) 13.757 8.711 ( 8.382 8.362 -6.637) 13.573 8.796 ( -1.809 1.121 -1.581) 2.651 9.610 ( 9.559 -1.365 -2.220) 9.907 9.957 ( 6.466 -2.520 0.604) 6.966 10.750 ( -6.024 0.482 4.641) 7.620 11.382 ( 2.382 1.298 -6.409) 6.959 12.005 ( -10.196 -3.510 9.994) 14.702 12.193 ( -3.002 5.005 3.456) 6.783 12.816 ( 2.147 1.648 -6.180) 6.747 13.103 ( -2.497 1.451 -1.400) 3.209 13.441 ( -0.032 -2.288 -11.673) 11.895 13.751 ( -1.913 6.035 -5.563) 8.428 14.258 ( -0.318 -0.840 -0.304) 0.948 14.440 ( -5.718 3.758 7.830) 10.399 14.825 ( -2.925 4.336 6.111) 8.044 14.947 ( 4.389 3.296 -0.504) 5.512 15.139 ( 2.112 -0.195 -0.254) 2.137 15.462 ( -1.144 -4.176 -0.848) 4.412 16.286 ( 4.358 -3.181 -6.824) 8.700 16.620 ( -0.065 -1.130 -3.100) 3.300 16.789 ( -12.328 -3.930 -1.293) 13.003 17.288 ( 1.129 -0.709 0.484) 1.418 17.807 ( -5.419 -7.409 7.444) 11.819 18.529 ( 1.429 12.586 -0.532) 12.678 20.474 ( -3.726 -4.028 0.346) 5.498 20.912 ( 0.826 -0.764 3.483) 3.660 21.869 ( -2.043 0.414 -1.397) 2.509 24.930 ( -1.947 0.484 4.413) 4.848 26.125 ( 4.939 6.308 -2.966) 8.542 26.965 ( 2.768 -1.930 1.029) 3.528 27.360 ( 4.853 -4.136 -0.276) 6.382 ======================= Grid point 431 (207/227) ======================= q-point: (-0.50 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( -6.428 1.461 -0.839) 6.646 3.469 ( -1.158 0.296 5.639) 5.764 3.857 ( 7.692 2.207 -3.451) 8.715 4.197 ( 1.954 4.934 -2.136) 5.720 4.883 ( -4.325 -12.132 -6.792) 14.561 5.257 ( 1.109 9.844 2.956) 10.338 5.457 ( 3.048 13.512 6.843) 15.450 5.754 ( 7.111 1.921 -2.081) 7.654 6.011 ( -4.989 4.023 -6.728) 9.292 6.817 ( 0.753 4.789 -0.252) 4.855 6.941 ( 4.179 -3.451 8.679) 10.232 7.348 ( 1.277 -4.572 -1.160) 4.887 7.695 ( -4.910 -5.776 2.693) 8.045 8.188 ( -2.768 -10.261 -0.624) 10.646 8.764 ( 8.033 12.191 -0.702) 14.617 8.863 ( 9.790 -1.982 -4.243) 10.852 9.639 ( -4.823 6.489 3.513) 8.815 10.005 ( 1.477 5.220 0.578) 5.456 10.792 ( 7.557 -5.570 4.166) 10.271 11.404 ( 2.271 3.324 -5.565) 6.869 11.905 ( -7.941 -7.675 10.798) 15.446 12.134 ( 0.010 -2.639 1.467) 3.019 12.892 ( 7.111 1.451 -8.608) 11.259 13.069 ( -1.111 -0.717 3.143) 3.409 13.430 ( -1.707 0.232 -7.269) 7.471 13.675 ( -2.648 0.067 0.355) 2.673 14.211 ( -3.442 1.530 6.050) 7.126 14.416 ( 0.834 -4.467 -5.477) 7.117 14.673 ( -7.582 1.709 6.693) 10.257 15.048 ( 7.562 2.780 -1.539) 8.202 15.160 ( 1.046 1.215 3.165) 3.548 15.456 ( -3.112 -2.919 -5.104) 6.653 16.298 ( -2.454 1.658 -0.145) 2.966 16.613 ( -3.814 -0.513 -0.042) 3.849 16.827 ( 8.046 -11.710 -11.289) 18.146 17.313 ( 1.568 0.770 1.038) 2.032 17.805 ( -5.488 -9.839 7.033) 13.281 18.445 ( 2.461 9.296 -0.010) 9.617 20.425 ( -6.380 -4.082 -4.408) 8.763 20.951 ( 2.246 -1.219 7.258) 7.695 21.747 ( -12.424 -1.391 -1.120) 12.552 24.905 ( -1.285 -0.518 2.507) 2.865 26.139 ( 4.896 7.238 -3.286) 9.336 27.011 ( 1.651 0.918 2.392) 3.048 27.451 ( 4.087 1.741 -1.569) 4.711 ======================= Grid point 432 (208/227) ======================= q-point: (-0.40 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -8.847 -4.097 2.539) 10.075 3.454 ( 0.210 0.653 7.230) 7.263 3.961 ( 4.599 3.122 -0.968) 5.642 4.170 ( 2.792 8.358 -8.156) 12.007 4.918 ( -5.500 -10.632 -6.313) 13.533 5.171 ( -2.026 6.035 0.325) 6.375 5.286 ( -0.600 15.781 6.783) 17.187 5.815 ( 3.813 6.166 -10.664) 12.895 5.938 ( 3.870 6.293 -8.827) 11.511 6.704 ( -4.306 9.717 1.925) 10.801 7.065 ( 6.392 -3.388 8.747) 11.351 7.417 ( 1.173 -1.479 -1.176) 2.224 7.662 ( -5.390 -4.177 2.503) 7.264 8.234 ( -0.525 -4.043 -2.570) 4.820 8.730 ( 2.347 13.457 2.200) 13.836 9.054 ( 7.640 2.971 0.756) 8.232 9.440 ( -4.203 5.783 -1.968) 7.414 9.915 ( -2.455 8.926 6.078) 11.074 11.037 ( 11.365 -3.658 0.873) 11.971 11.418 ( 3.875 -0.614 0.362) 3.940 11.916 ( -1.933 -10.891 9.545) 14.610 12.260 ( 7.364 -7.329 -2.636) 10.719 12.986 ( 2.287 -2.013 -7.672) 8.255 13.074 ( 0.068 -1.973 7.299) 7.561 13.404 ( -1.485 -1.693 -6.103) 6.505 13.654 ( 0.305 0.217 6.975) 6.986 14.163 ( -4.352 -5.346 6.393) 9.402 14.425 ( -6.714 -2.870 -3.966) 8.309 14.613 ( 1.510 -2.938 -1.548) 3.648 15.116 ( 2.494 1.878 -2.039) 3.729 15.157 ( 0.263 1.539 5.164) 5.395 15.448 ( 0.833 -1.556 -7.750) 7.949 16.222 ( -1.885 4.266 1.981) 5.067 16.596 ( -0.763 -4.645 -0.985) 4.809 17.136 ( 12.347 -10.709 -12.458) 20.551 17.332 ( 2.424 1.794 2.121) 3.687 17.819 ( -5.274 -11.385 6.812) 14.277 18.432 ( 4.082 4.307 0.513) 5.957 20.340 ( -6.769 -1.920 -6.082) 9.300 21.023 ( 2.950 -3.931 7.813) 9.231 21.468 ( -21.781 -2.412 -1.333) 21.955 24.896 ( -1.268 -2.282 1.158) 2.856 26.149 ( 4.848 6.935 -3.275) 9.073 27.002 ( 1.182 5.732 3.846) 7.003 27.458 ( 2.116 7.577 -3.389) 8.566 ======================= Grid point 433 (209/227) ======================= q-point: (-0.30 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( -8.253 -9.233 3.627) 12.903 3.464 ( 1.450 1.384 6.223) 6.538 3.888 ( -5.237 10.071 -4.367) 12.162 4.065 ( -2.644 12.271 2.153) 12.735 4.891 ( -5.718 -6.799 -1.748) 9.054 5.093 ( 1.756 5.085 -2.059) 5.760 5.291 ( 11.507 6.289 0.688) 13.131 5.771 ( -0.347 6.025 -20.613) 21.479 5.947 ( 7.764 13.428 -6.356) 16.763 6.485 ( -7.055 12.452 -0.485) 14.320 7.212 ( 4.430 -2.568 11.293) 12.400 7.411 ( -1.477 0.159 6.226) 6.401 7.574 ( -8.655 -1.920 -2.602) 9.239 8.230 ( 0.784 7.494 -10.150) 12.641 8.592 ( -1.474 7.397 3.341) 8.249 9.030 ( -2.224 4.779 8.723) 10.192 9.421 ( 1.525 1.982 -9.948) 10.257 9.804 ( 1.238 8.391 12.360) 14.991 11.161 ( 3.364 2.707 -1.920) 4.725 11.652 ( 15.542 -9.836 4.813) 19.012 12.037 ( 2.198 -9.965 7.370) 12.587 12.499 ( 9.795 -8.033 -4.477) 13.436 12.971 ( -6.118 -2.173 1.105) 6.586 13.122 ( 0.404 -4.662 2.602) 5.354 13.417 ( 1.012 -2.230 -0.380) 2.478 13.687 ( 2.853 -0.498 1.998) 3.518 14.165 ( -5.017 -10.289 6.889) 13.360 14.315 ( -6.927 -2.036 -3.059) 7.841 14.687 ( 1.504 -2.960 -3.058) 4.514 15.092 ( -3.709 0.223 -0.236) 3.723 15.143 ( 0.807 2.469 -0.994) 2.781 15.524 ( 5.622 -0.637 -5.139) 7.643 16.162 ( -0.040 3.847 2.038) 4.354 16.686 ( 4.611 -6.587 -1.530) 8.185 17.360 ( 0.944 -2.409 1.536) 3.009 17.422 ( 8.974 -5.053 -9.287) 13.868 17.898 ( -0.342 -15.548 5.994) 16.667 18.493 ( 6.861 2.183 1.496) 7.354 20.233 ( -5.808 0.647 -4.908) 7.632 21.048 ( -28.805 -2.221 -1.013) 28.909 21.138 ( 3.967 -5.799 5.732) 9.068 24.920 ( -0.919 -6.991 -0.221) 7.054 26.166 ( 4.713 5.519 -2.935) 7.828 26.939 ( 1.738 11.094 5.046) 12.311 27.356 ( -1.587 13.688 -5.458) 14.821 ======================= Grid point 434 (210/227) ======================= q-point: (-0.20 0.10 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( -4.280 -13.990 2.505) 14.843 3.447 ( -1.145 3.291 1.987) 4.012 3.626 ( -5.289 17.044 2.465) 18.015 3.916 ( -1.564 7.920 1.945) 8.304 4.900 ( -1.162 -5.139 -0.543) 5.297 5.079 ( 0.502 1.873 -2.148) 2.894 5.405 ( 7.000 9.558 9.036) 14.900 5.698 ( 2.460 10.141 -26.677) 28.645 5.906 ( 1.058 14.558 5.291) 15.526 6.295 ( 4.846 9.664 -20.098) 22.821 7.105 ( -16.125 6.277 16.738) 24.074 7.421 ( 0.073 -6.078 10.167) 11.846 7.512 ( 0.264 -3.765 -7.693) 8.568 8.117 ( -0.950 9.316 -7.561) 12.036 8.602 ( 7.839 6.900 0.451) 10.453 8.926 ( -7.999 -3.195 8.992) 12.452 9.382 ( -1.102 4.542 -4.671) 6.608 9.776 ( 2.927 6.638 6.506) 9.744 11.168 ( 1.203 2.171 -0.373) 2.510 12.069 ( 18.663 -9.851 2.758) 21.283 12.179 ( 2.832 -8.670 4.141) 10.016 12.667 ( -4.853 -5.643 -0.224) 7.447 12.893 ( 0.635 -1.343 -0.158) 1.494 13.163 ( -1.546 -5.258 1.670) 5.730 13.484 ( 3.124 -2.629 0.894) 4.179 13.732 ( 0.781 -1.174 -1.311) 1.925 14.200 ( -4.405 -12.071 2.990) 13.193 14.252 ( -2.324 -1.123 -0.156) 2.586 14.717 ( 1.116 0.706 -1.196) 1.782 15.009 ( -4.845 -0.235 -1.464) 5.067 15.136 ( 0.724 1.374 -1.549) 2.194 15.606 ( 3.310 1.183 -1.817) 3.957 16.143 ( 0.615 1.252 1.269) 1.886 16.890 ( 10.029 -7.398 -2.078) 12.634 17.362 ( -6.021 -4.841 0.784) 7.766 17.573 ( 5.049 -3.565 -3.412) 7.060 18.116 ( 1.795 -19.497 2.692) 19.764 18.643 ( 13.624 2.983 2.228) 14.124 20.137 ( -2.973 2.014 -2.370) 4.302 20.546 ( -28.072 0.075 -1.533) 28.114 21.260 ( 3.017 -4.492 3.919) 6.681 25.028 ( 0.142 -15.934 -1.142) 15.975 26.202 ( 4.160 2.174 -2.085) 5.136 26.845 ( 4.049 16.579 5.683) 17.987 27.108 ( -6.828 19.916 -6.576) 22.057 ======================= Grid point 435 (211/227) ======================= q-point: (-0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 0.000 -17.611 0.000) 17.611 3.393 ( -0.000 19.628 0.000) 19.628 3.400 ( 0.000 1.906 0.000) 1.906 3.834 ( -0.000 6.509 -0.000) 6.509 4.941 ( 0.000 -5.149 0.000) 5.149 5.081 ( 0.000 -1.399 0.000) 1.399 5.362 ( -0.000 6.474 0.000) 6.474 5.599 ( -0.000 18.580 0.000) 18.580 5.700 ( -0.000 12.727 0.000) 12.727 6.395 ( 0.000 3.921 0.000) 3.921 6.788 ( -0.000 6.337 0.000) 6.337 7.533 ( -0.000 -11.105 -0.000) 11.105 7.552 ( 0.000 -2.218 0.000) 2.218 8.044 ( 0.000 2.390 0.000) 2.390 8.550 ( -0.000 18.672 0.000) 18.672 8.931 ( 0.000 -12.809 0.000) 12.809 9.322 ( -0.000 3.793 0.000) 3.793 9.738 ( 0.000 6.579 0.000) 6.579 11.163 ( -0.000 1.059 0.000) 1.059 12.290 ( 0.000 -8.140 0.000) 8.140 12.470 ( 0.000 3.583 -0.000) 3.583 12.480 ( -0.000 -12.037 0.000) 12.037 12.961 ( 0.000 -1.348 0.000) 1.348 13.189 ( 0.000 -3.380 0.000) 3.380 13.546 ( 0.000 -2.301 0.000) 2.301 13.755 ( 0.000 -3.094 0.000) 3.094 14.219 ( -0.000 3.447 0.000) 3.447 14.285 ( 0.000 -11.847 -0.000) 11.847 14.709 ( -0.000 3.723 0.000) 3.723 14.964 ( 0.000 -0.746 0.000) 0.746 15.140 ( 0.000 -0.587 0.000) 0.587 15.611 ( 0.000 2.420 0.000) 2.420 16.145 ( -0.000 0.019 0.000) 0.019 17.118 ( -0.000 -8.420 0.000) 8.420 17.288 ( 0.000 -1.670 0.000) 1.670 17.677 ( 0.000 -5.944 0.000) 5.944 18.312 ( 0.000 -16.153 0.000) 16.153 18.796 ( 0.000 2.181 0.000) 2.181 20.101 ( 0.000 1.979 0.000) 1.979 20.223 ( -0.000 1.601 0.000) 1.601 21.315 ( 0.000 -0.805 0.000) 0.805 25.252 ( -0.000 -25.806 0.000) 25.806 26.259 ( -0.000 -3.803 0.000) 3.803 26.684 ( -0.000 33.068 0.000) 33.068 26.793 ( 0.000 13.091 0.000) 13.091 ======================= Grid point 439 (212/227) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -2.334 0.000 -16.651) 16.814 3.450 ( 3.675 -0.000 2.086) 4.226 3.854 ( -0.046 0.000 -7.300) 7.300 4.016 ( 16.412 -0.000 14.363) 21.809 4.778 ( -11.486 0.000 9.016) 14.602 5.112 ( 20.396 -0.000 -14.507) 25.029 5.485 ( -0.720 0.000 17.400) 17.415 5.752 ( 11.805 -0.000 0.550) 11.818 5.987 ( -5.621 0.000 6.485) 8.582 6.133 ( 21.271 -0.000 16.162) 26.715 6.943 ( -8.674 0.000 -2.432) 9.009 7.435 ( -1.112 0.000 -1.614) 1.960 7.784 ( -12.166 0.000 -2.564) 12.433 7.851 ( 4.248 -0.000 16.384) 16.926 8.681 ( 8.543 -0.000 -16.612) 18.680 8.973 ( -12.460 0.000 5.480) 13.612 9.423 ( 13.866 -0.000 -5.192) 14.806 9.648 ( 6.817 -0.000 -13.889) 15.471 10.931 ( -7.915 0.000 5.641) 9.719 11.420 ( -4.692 0.000 -5.030) 6.879 12.165 ( -12.137 0.000 10.017) 15.737 12.341 ( 0.749 -0.000 1.473) 1.652 12.889 ( -7.884 0.000 -1.195) 7.974 13.272 ( -7.214 0.000 -6.712) 9.854 13.285 ( 4.602 -0.000 -20.515) 21.025 13.955 ( 7.687 -0.000 -0.636) 7.714 14.205 ( -9.568 0.000 -1.944) 9.764 14.624 ( 2.148 -0.000 7.412) 7.717 14.916 ( 0.791 -0.000 5.598) 5.653 15.010 ( 8.011 -0.000 -5.073) 9.482 15.217 ( -10.727 0.000 7.266) 12.956 15.275 ( 3.189 -0.000 2.757) 4.216 16.094 ( 4.419 -0.000 -9.336) 10.329 16.732 ( -6.116 0.000 -9.445) 11.252 16.949 ( -15.115 0.000 3.818) 15.590 17.292 ( -5.060 0.000 0.201) 5.064 17.798 ( -6.184 0.000 8.976) 10.900 18.767 ( 1.915 -0.000 -1.007) 2.164 20.422 ( 1.132 -0.000 4.227) 4.376 20.890 ( -2.401 0.000 1.271) 2.716 21.854 ( 7.377 -0.000 -5.021) 8.923 25.021 ( -6.709 0.000 9.962) 12.011 26.133 ( 8.085 -0.000 -1.856) 8.296 26.912 ( 0.924 -0.000 -1.162) 1.485 27.051 ( 11.251 -0.000 0.966) 11.292 ======================= Grid point 440 (213/227) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -6.330 4.775 -9.850) 12.644 3.472 ( -1.529 -0.956 6.076) 6.338 3.863 ( 3.068 2.382 -6.710) 7.753 4.276 ( 12.824 4.453 5.300) 14.573 4.604 ( -10.644 -8.071 2.969) 13.684 5.470 ( 14.099 4.813 -6.919) 16.426 5.569 ( 15.623 0.583 8.320) 17.710 5.747 ( -2.656 11.563 5.199) 12.953 6.050 ( 3.980 -9.682 5.547) 11.847 6.514 ( 19.827 -1.895 12.938) 23.751 6.856 ( -2.525 -2.197 -4.395) 5.525 7.382 ( -4.020 3.798 4.015) 6.834 7.587 ( -11.583 -6.637 0.852) 13.377 7.873 ( -4.723 -8.160 2.167) 9.674 8.807 ( -4.838 0.881 -1.394) 5.112 8.857 ( 12.912 3.501 -10.195) 16.820 9.657 ( 13.138 5.980 -3.910) 14.955 9.830 ( 10.510 -8.620 -4.713) 14.387 10.775 ( -8.598 1.161 8.806) 12.362 11.406 ( 3.143 0.785 -7.360) 8.042 11.949 ( -12.999 -1.666 13.028) 18.479 12.272 ( -8.138 2.116 6.964) 10.918 12.849 ( 3.697 1.086 -10.206) 10.909 13.147 ( -4.199 2.221 -1.706) 5.047 13.363 ( 1.824 -3.641 -17.666) 18.129 13.936 ( -5.491 10.046 -5.216) 12.581 14.152 ( 1.096 -7.820 -3.592) 8.675 14.556 ( -7.086 4.249 11.616) 14.255 14.927 ( -1.630 4.396 9.171) 10.300 15.033 ( -1.764 3.389 3.797) 5.387 15.133 ( 4.409 -0.016 -2.444) 5.041 15.355 ( 1.033 -4.851 -2.638) 5.618 16.205 ( 6.283 -3.357 -10.388) 12.596 16.582 ( -9.040 -1.669 -10.319) 13.820 16.735 ( -10.351 -1.066 1.042) 10.458 17.274 ( 1.643 -0.489 1.268) 2.132 17.699 ( -6.665 -2.652 10.714) 12.893 18.746 ( -0.214 6.403 0.602) 6.435 20.386 ( -5.850 -3.136 0.471) 6.654 20.898 ( 1.620 -0.425 5.713) 5.954 21.880 ( -3.666 0.452 -2.737) 4.597 24.940 ( -2.704 0.328 6.631) 7.169 26.255 ( 8.076 4.430 -2.491) 9.542 26.928 ( 1.351 -1.174 -1.059) 2.080 27.271 ( 10.532 -3.192 0.781) 11.032 ======================= Grid point 441 (214/227) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.601 ( -8.015 5.563 -4.395) 10.701 3.446 ( -2.738 -2.327 8.375) 9.113 3.924 ( 7.859 3.643 -5.655) 10.345 4.288 ( -2.731 3.383 -1.122) 4.490 4.653 ( 2.370 -8.677 -1.522) 9.123 5.479 ( -4.415 8.976 -4.473) 10.958 5.671 ( 8.136 4.086 7.072) 11.528 5.853 ( 17.645 11.143 2.255) 20.990 6.106 ( -2.053 3.632 2.238) 4.734 6.840 ( 6.019 -6.239 4.931) 9.973 6.866 ( 5.408 0.908 1.039) 5.581 7.279 ( -1.146 -0.446 3.344) 3.563 7.537 ( -5.183 -8.986 5.963) 11.965 7.929 ( -0.960 -12.793 -2.545) 13.079 8.810 ( 5.175 -2.431 -7.222) 9.211 9.012 ( 12.082 10.045 -5.378) 16.607 9.744 ( 2.801 4.684 0.664) 5.498 10.083 ( 9.298 0.390 3.293) 9.872 10.683 ( -0.034 -3.464 7.483) 8.246 11.479 ( 6.185 3.180 -10.232) 12.371 11.775 ( -10.667 -4.883 13.571) 17.939 12.084 ( -10.225 -1.813 4.539) 11.333 12.918 ( 3.569 0.717 -9.438) 10.116 13.100 ( 2.283 3.699 2.397) 4.964 13.417 ( 0.541 -2.830 -11.834) 12.179 13.722 ( -7.562 5.114 -7.365) 11.730 14.253 ( 1.609 -1.522 -3.290) 3.966 14.360 ( -8.086 1.903 8.326) 11.761 14.748 ( -8.792 5.693 9.976) 14.465 15.064 ( 0.413 -3.443 8.328) 9.021 15.189 ( 3.607 2.294 -2.941) 5.189 15.390 ( -0.517 -2.344 -7.488) 7.864 16.309 ( 0.570 -0.384 -5.977) 6.016 16.518 ( -6.510 -10.492 -12.278) 17.412 16.663 ( 5.106 -0.829 -3.085) 6.023 17.322 ( 2.984 0.097 1.119) 3.188 17.633 ( -6.248 -5.840 11.604) 14.414 18.650 ( -1.022 8.712 1.414) 8.885 20.319 ( -6.467 -5.284 -2.383) 8.684 20.924 ( -0.011 -1.128 8.450) 8.525 21.727 ( -13.721 -0.569 -1.796) 13.850 24.911 ( -0.517 0.742 3.851) 3.955 26.318 ( 7.244 8.755 -3.422) 11.867 26.984 ( 2.127 -3.052 0.489) 3.752 27.461 ( 8.909 -0.288 0.204) 8.916 ======================= Grid point 442 (215/227) ======================= q-point: (-0.50 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -9.087 3.924 -0.332) 9.903 3.436 ( -1.496 -2.377 9.135) 9.557 4.034 ( 6.804 3.811 -6.148) 9.931 4.245 ( 0.530 -2.247 -4.912) 5.427 4.758 ( 2.243 -3.025 -0.340) 3.781 5.307 ( -4.814 6.147 -6.294) 10.029 5.647 ( -2.627 16.483 2.554) 16.886 5.972 ( 10.511 9.901 -0.764) 14.459 6.064 ( 6.505 5.762 0.268) 8.694 6.790 ( -8.173 -0.595 2.963) 8.714 7.022 ( 8.308 -0.974 4.597) 9.544 7.389 ( 7.707 -1.347 -1.893) 8.049 7.547 ( -3.965 -6.628 7.857) 11.018 8.065 ( 2.317 -9.323 -0.292) 9.611 9.017 ( 12.412 -0.790 -9.407) 15.594 9.061 ( 8.152 10.652 -1.733) 13.525 9.625 ( -6.853 10.352 7.383) 14.444 10.099 ( 0.253 9.038 3.525) 9.704 10.884 ( 11.638 -10.313 6.100) 16.703 11.486 ( 0.137 6.370 -8.054) 10.270 11.701 ( -5.150 -9.221 11.824) 15.854 12.073 ( 2.396 -10.353 -1.853) 10.787 12.947 ( -0.044 -1.386 -4.324) 4.541 13.099 ( 1.166 4.747 3.433) 5.973 13.409 ( -1.784 1.362 -11.264) 11.485 13.636 ( -0.335 -2.152 -1.766) 2.804 14.114 ( -10.021 0.568 13.129) 16.526 14.366 ( -1.720 -2.665 -7.002) 7.687 14.574 ( -5.265 -0.404 4.420) 6.887 15.076 ( -4.921 -6.258 8.989) 12.007 15.215 ( 3.185 3.854 -4.251) 6.562 15.420 ( 2.977 -0.783 -7.246) 7.873 16.269 ( -3.572 -0.295 -2.243) 4.228 16.517 ( -0.187 -3.064 -8.180) 8.737 16.910 ( 13.130 -9.405 -10.969) 19.524 17.370 ( 3.437 1.536 1.777) 4.164 17.599 ( -6.509 -8.428 12.170) 16.172 18.558 ( 0.128 6.416 1.301) 6.548 20.271 ( -4.969 -4.488 -4.533) 8.086 20.930 ( -2.042 -4.137 9.256) 10.342 21.425 ( -21.903 -1.688 -1.679) 22.032 24.897 ( 0.070 1.674 2.236) 2.794 26.334 ( 6.265 10.279 -3.738) 12.605 27.049 ( 2.411 -1.165 2.182) 3.454 27.578 ( 6.545 4.087 -0.903) 7.769 ======================= Grid point 443 (216/227) ======================= q-point: (-0.40 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 404 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -8.003 0.652 1.765) 8.221 3.446 ( -0.641 -2.621 7.066) 7.564 4.026 ( -1.912 3.726 -7.659) 8.729 4.292 ( 1.494 5.998 1.013) 6.264 4.804 ( 1.897 0.137 0.518) 1.971 5.193 ( -1.854 4.069 -8.063) 9.220 5.465 ( 4.451 10.302 -5.464) 12.482 5.968 ( 2.777 13.231 -0.848) 13.546 6.171 ( 10.817 7.113 -0.150) 12.947 6.620 ( -10.782 0.609 4.139) 11.565 7.188 ( 9.709 1.344 -0.312) 9.806 7.456 ( -2.351 -1.450 2.288) 3.587 7.531 ( -1.135 1.720 6.191) 6.525 8.197 ( 4.361 -5.874 -2.217) 7.644 8.916 ( -2.720 21.200 -0.191) 21.375 9.227 ( 5.529 8.921 5.682) 11.935 9.444 ( 0.593 1.731 -10.596) 10.753 9.973 ( -2.747 8.435 9.166) 12.756 11.180 ( 9.149 -3.779 1.085) 9.958 11.463 ( 3.876 -5.176 1.386) 6.613 11.799 ( 1.738 -12.898 7.650) 15.096 12.301 ( 9.079 -10.603 -6.080) 15.226 12.931 ( -3.651 -1.049 2.702) 4.662 13.067 ( -0.973 0.378 -1.482) 1.813 13.376 ( -0.832 -1.312 -5.900) 6.101 13.682 ( 2.041 -1.374 2.036) 3.193 13.981 ( -8.724 -6.776 11.994) 16.306 14.265 ( -8.812 -1.907 -2.216) 9.284 14.605 ( 2.235 -4.670 -4.560) 6.899 15.036 ( -6.719 -5.872 5.334) 10.396 15.217 ( 2.017 4.418 -4.015) 6.301 15.510 ( 6.097 -0.775 -4.407) 7.563 16.211 ( -3.330 -0.381 -0.302) 3.366 16.590 ( 6.226 -1.462 -7.750) 10.048 17.228 ( 10.230 -8.777 -11.094) 17.457 17.401 ( 1.819 0.589 2.272) 2.969 17.601 ( -3.793 -10.557 12.410) 16.728 18.543 ( 3.610 1.876 0.797) 4.146 20.228 ( -3.419 -1.287 -4.790) 6.024 20.943 ( -9.628 -7.076 8.159) 14.468 21.035 ( -18.667 -3.601 -2.312) 19.151 24.877 ( -0.277 1.744 1.355) 2.226 26.326 ( 4.913 9.767 -3.286) 11.417 27.084 ( 2.413 2.669 3.475) 5.002 27.596 ( 3.423 9.368 -2.470) 10.275 ======================= Grid point 444 (217/227) ======================= q-point: (-0.30 0.20 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -4.177 -3.874 1.595) 5.916 3.455 ( -1.811 -2.240 1.793) 3.393 3.909 ( -3.549 8.774 -3.325) 10.032 4.145 ( -2.587 13.883 5.063) 15.002 4.837 ( 1.971 -0.060 -0.044) 1.972 5.140 ( -0.674 3.133 -4.636) 5.636 5.614 ( 16.626 6.090 -3.944) 18.140 5.847 ( 0.197 9.875 -13.141) 16.439 6.195 ( -2.571 8.583 12.210) 15.144 6.458 ( -0.279 5.679 -6.801) 8.865 7.238 ( -2.696 7.120 6.953) 10.311 7.409 ( -5.179 -1.409 -2.733) 6.022 7.461 ( 1.873 5.290 6.740) 8.770 8.331 ( 6.155 2.245 -8.476) 10.713 8.610 ( -7.148 10.062 3.747) 12.899 9.111 ( -0.774 14.634 5.891) 15.794 9.489 ( 3.021 4.991 -10.154) 11.710 9.883 ( -0.403 3.536 8.667) 9.369 11.231 ( 1.116 3.683 -1.383) 4.090 11.771 ( 11.977 -17.866 3.901) 21.860 11.975 ( 2.995 -11.222 5.017) 12.652 12.539 ( 4.929 -7.182 -6.514) 10.877 12.863 ( -3.894 -1.178 4.661) 6.186 13.054 ( -1.888 -3.881 -2.016) 4.763 13.415 ( 1.290 -4.117 -0.135) 4.316 13.717 ( 0.296 -1.081 0.442) 1.204 13.962 ( -3.714 -10.098 7.682) 13.220 14.171 ( -5.569 -5.557 -3.272) 8.521 14.686 ( 2.030 -3.272 -2.991) 4.876 14.976 ( -5.596 -3.814 2.309) 7.155 15.194 ( 0.649 4.143 -2.416) 4.839 15.616 ( 4.567 -0.325 -2.109) 5.041 16.167 ( -1.714 0.032 0.477) 1.780 16.756 ( 9.363 -3.511 -6.063) 11.693 17.287 ( -5.815 -2.779 1.667) 6.657 17.524 ( 6.684 -2.027 -5.176) 8.693 17.713 ( 0.078 -16.989 7.533) 18.584 18.655 ( 8.603 -2.033 0.591) 8.860 20.180 ( -1.265 1.878 -2.792) 3.595 20.547 ( -24.355 0.249 -0.138) 24.357 21.083 ( 0.326 -12.034 2.712) 12.340 24.862 ( -0.521 -1.073 0.565) 1.319 26.303 ( 2.843 7.741 -2.035) 8.494 27.080 ( 2.377 6.368 3.658) 7.719 27.495 ( -0.028 16.039 -3.407) 16.397 ======================= Grid point 445 (218/227) ======================= q-point: (-0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 0.000 -9.088 0.000) 9.088 3.439 ( 0.000 0.451 0.000) 0.451 3.754 ( -0.000 14.255 0.000) 14.255 3.997 ( -0.000 10.473 -0.000) 10.473 4.865 ( 0.000 -1.889 0.000) 1.889 5.100 ( -0.000 2.745 0.000) 2.745 5.605 ( -0.000 15.797 -0.000) 15.797 5.904 ( 0.000 6.397 -0.000) 6.397 5.963 ( -0.000 11.538 0.000) 11.538 6.465 ( -0.000 3.315 0.000) 3.315 7.022 ( -0.000 15.317 0.000) 15.317 7.357 ( 0.000 -2.177 -0.000) 2.177 7.494 ( 0.000 -2.576 0.000) 2.576 8.239 ( 0.000 15.433 0.000) 15.433 8.637 ( -0.000 -14.190 0.000) 14.190 8.929 ( 0.000 17.550 -0.000) 17.550 9.437 ( -0.000 7.200 0.000) 7.200 9.854 ( 0.000 3.813 0.000) 3.813 11.204 ( 0.000 3.008 0.000) 3.008 12.077 ( 0.000 -14.340 0.000) 14.340 12.153 ( 0.000 -16.220 0.000) 16.220 12.547 ( -0.000 2.939 0.000) 2.939 12.891 ( 0.000 -5.082 0.000) 5.082 13.089 ( 0.000 -5.706 0.000) 5.706 13.475 ( 0.000 -4.504 0.000) 4.504 13.723 ( 0.000 -0.685 0.000) 0.685 14.042 ( 0.000 -10.743 0.000) 10.743 14.191 ( -0.000 -6.071 -0.000) 6.071 14.731 ( -0.000 -1.369 0.000) 1.369 14.947 ( 0.000 -1.575 0.000) 1.575 15.161 ( 0.000 2.854 0.000) 2.854 15.653 ( 0.000 1.122 0.000) 1.122 16.152 ( -0.000 0.384 0.000) 0.384 16.924 ( -0.000 -7.928 0.000) 7.928 17.239 ( -0.000 -2.968 0.000) 2.968 17.594 ( 0.000 -1.533 0.000) 1.533 17.915 ( 0.000 -20.233 0.000) 20.233 18.796 ( 0.000 -2.839 0.000) 2.839 20.158 ( 0.000 3.411 0.000) 3.411 20.261 ( -0.000 1.964 0.000) 1.964 21.210 ( 0.000 -9.989 0.000) 9.989 24.900 ( -0.000 -7.955 0.000) 7.955 26.265 ( -0.000 4.352 0.000) 4.352 27.030 ( -0.000 8.838 -0.000) 8.838 27.276 ( 0.000 23.574 0.000) 23.574 ======================= Grid point 451 (219/227) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 225 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -8.451 0.000 -6.266) 10.520 3.411 ( -3.710 0.000 10.156) 10.813 3.969 ( 7.350 -0.000 -6.206) 9.619 4.324 ( -13.112 0.000 -2.290) 13.311 4.560 ( 13.306 -0.000 2.037) 13.461 5.553 ( -3.652 0.000 -10.875) 11.472 5.725 ( 2.687 -0.000 10.197) 10.545 6.057 ( 25.097 -0.000 2.107) 25.185 6.106 ( 4.867 -0.000 5.677) 7.478 6.746 ( 4.461 -0.000 4.349) 6.230 6.878 ( 5.706 -0.000 2.425) 6.200 7.348 ( -4.781 0.000 9.036) 10.223 7.367 ( -2.544 0.000 6.047) 6.560 7.769 ( 0.483 -0.000 -6.366) 6.384 8.783 ( 2.214 -0.000 -8.080) 8.378 9.124 ( 13.991 -0.000 -5.276) 14.953 9.821 ( 2.178 -0.000 -3.499) 4.121 10.046 ( 17.570 -0.000 3.080) 17.838 10.658 ( -5.003 0.000 10.805) 11.907 11.516 ( 8.987 -0.000 -10.576) 13.879 11.717 ( -12.170 0.000 13.618) 18.264 12.066 ( -15.131 0.000 5.059) 15.954 12.924 ( 1.690 -0.000 -7.805) 7.986 13.163 ( 6.098 -0.000 1.500) 6.280 13.361 ( 0.180 -0.000 -13.942) 13.943 13.803 ( -11.680 0.000 -8.419) 14.398 14.205 ( 6.544 -0.000 -8.275) 10.550 14.408 ( -12.733 0.000 12.712) 17.992 14.885 ( -9.536 0.000 14.648) 17.479 14.939 ( -5.261 0.000 7.561) 9.211 15.221 ( 4.214 -0.000 -4.112) 5.888 15.375 ( 2.800 -0.000 -7.436) 7.946 16.296 ( 5.262 -0.000 -10.082) 11.373 16.388 ( -8.076 0.000 -14.127) 16.272 16.665 ( 2.022 -0.000 -1.907) 2.779 17.321 ( 3.630 -0.000 1.355) 3.875 17.573 ( -6.248 0.000 13.286) 14.682 18.749 ( -3.013 0.000 2.171) 3.714 20.254 ( -6.255 0.000 -1.468) 6.425 20.911 ( -0.774 0.000 8.781) 8.815 21.722 ( -14.266 0.000 -2.126) 14.424 24.921 ( 0.078 -0.000 4.023) 4.024 26.428 ( 8.399 -0.000 -2.161) 8.673 26.936 ( 1.192 -0.000 -1.867) 2.215 27.456 ( 11.243 -0.000 1.459) 11.337 ======================= Grid point 452 (220/227) ======================= q-point: (-0.60 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -9.006 3.819 -2.551) 10.109 3.376 ( -1.946 -2.419 11.255) 11.675 4.096 ( 1.434 1.169 -11.708) 11.853 4.152 ( -0.714 -3.176 0.031) 3.255 4.761 ( 9.908 1.176 4.250) 10.845 5.397 ( -8.335 2.271 -10.843) 13.864 5.872 ( 8.976 5.264 0.442) 10.415 6.089 ( -3.990 0.870 -0.094) 4.085 6.294 ( 11.853 13.207 5.730) 18.648 6.755 ( -5.654 -2.431 2.505) 6.645 6.983 ( 7.270 -2.061 3.425) 8.297 7.297 ( -2.507 -5.889 9.874) 11.767 7.477 ( 9.162 -0.288 8.779) 12.692 7.925 ( 13.871 -3.327 -7.013) 15.895 8.897 ( 8.888 -4.638 -13.058) 16.462 9.302 ( 10.169 7.059 -2.648) 12.659 9.792 ( -3.068 4.838 8.008) 9.847 10.266 ( 6.923 5.636 4.905) 10.186 10.675 ( 5.205 -7.570 7.416) 11.807 11.552 ( -7.912 -3.606 10.361) 13.526 11.651 ( 2.574 7.914 -8.499) 11.895 11.859 ( -4.883 -9.600 -2.589) 11.077 12.935 ( 0.956 -0.057 -2.631) 2.800 13.241 ( 3.171 7.935 1.052) 8.609 13.389 ( 0.958 -4.561 -5.091) 6.902 13.609 ( -8.251 0.208 -13.540) 15.857 14.146 ( -15.227 1.387 14.734) 21.234 14.321 ( 4.983 -1.432 -9.920) 11.193 14.615 ( -14.607 3.806 10.732) 18.521 14.906 ( -6.267 -7.934 8.271) 13.063 15.281 ( 4.072 1.858 -4.641) 6.448 15.417 ( 2.726 0.245 -4.833) 5.554 16.229 ( -6.822 -2.225 -5.658) 9.138 16.461 ( 7.372 -1.871 -17.631) 19.202 16.794 ( 11.318 -2.088 -5.157) 12.612 17.391 ( 4.086 0.442 2.089) 4.610 17.488 ( -5.228 -2.489 14.777) 15.871 18.661 ( -4.636 2.885 2.761) 6.119 20.184 ( -3.463 -2.836 -2.874) 5.319 20.871 ( -4.613 -1.481 9.423) 10.595 21.403 ( -22.019 -0.476 -1.631) 22.085 24.933 ( 1.639 1.221 1.908) 2.796 26.528 ( 7.134 6.739 -2.502) 10.128 26.984 ( 2.117 -3.543 -0.701) 4.186 27.632 ( 9.230 1.267 1.299) 9.406 ======================= Grid point 453 (221/227) ======================= q-point: (-0.50 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -7.841 5.317 0.311) 9.479 3.381 ( -1.389 -3.095 9.428) 10.020 4.015 ( -6.382 -4.605 -10.907) 13.450 4.329 ( 11.366 0.848 0.469) 11.407 4.884 ( 7.813 4.941 6.216) 11.139 5.257 ( -4.567 2.190 -11.547) 12.609 5.711 ( -6.672 12.673 -5.205) 15.238 6.187 ( 7.364 -2.023 -5.088) 9.176 6.293 ( 3.825 12.906 9.385) 16.410 6.626 ( -6.488 2.066 2.266) 7.176 7.179 ( 11.193 -2.990 -0.626) 11.602 7.304 ( -7.654 -10.268 10.501) 16.561 7.620 ( 6.802 2.869 6.156) 9.612 8.201 ( 18.103 7.725 -4.316) 20.150 9.177 ( 13.109 -9.535 -12.706) 20.596 9.321 ( 4.972 14.864 -3.338) 16.025 9.614 ( -7.191 10.537 12.258) 17.692 10.174 ( -5.083 11.191 6.485) 13.897 10.962 ( 11.358 -14.424 5.947) 19.299 11.481 ( -6.846 3.926 -3.229) 8.527 11.537 ( -2.254 -10.939 8.396) 13.972 12.089 ( 12.649 -8.890 -11.927) 19.527 12.955 ( 1.212 2.561 0.268) 2.846 13.137 ( -3.537 6.380 0.813) 7.340 13.368 ( -4.708 0.463 -8.143) 9.417 13.587 ( -1.030 -7.680 -2.791) 8.236 13.904 ( -11.372 -1.200 15.746) 19.460 14.262 ( -11.734 1.862 0.395) 11.887 14.501 ( 1.722 -5.283 -5.390) 7.741 14.875 ( -6.929 -8.258 6.275) 12.473 15.313 ( 3.187 4.534 -3.879) 6.764 15.485 ( 4.484 -1.750 -3.019) 5.682 16.158 ( -4.697 -3.259 -2.972) 6.443 16.604 ( 9.329 1.155 -16.588) 19.067 17.061 ( 13.179 -6.025 -7.545) 16.338 17.373 ( -7.306 -2.576 13.023) 15.153 17.514 ( 5.819 0.377 5.966) 8.342 18.565 ( -3.429 0.346 2.227) 4.104 20.182 ( -0.546 -2.772 -4.177) 5.043 20.806 ( -6.350 -5.019 8.217) 11.533 20.992 ( -24.819 -0.920 -1.044) 24.858 24.941 ( 1.561 3.267 0.884) 3.727 26.544 ( 5.203 10.305 -2.558) 11.824 27.065 ( 2.254 -3.763 0.731) 4.447 27.739 ( 6.181 4.443 0.475) 7.627 ======================= Grid point 454 (222/227) ======================= q-point: (-0.40 0.30 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -4.193 3.985 1.171) 5.902 3.389 ( -1.672 -3.335 4.208) 5.624 3.969 ( -3.461 -2.767 -6.122) 7.557 4.413 ( 3.427 10.750 3.364) 11.774 4.921 ( 3.705 7.494 3.896) 9.223 5.186 ( -1.828 1.257 -8.470) 8.756 5.641 ( 9.097 -0.317 -11.014) 14.288 6.155 ( 0.265 16.763 1.094) 16.800 6.209 ( -10.760 -2.902 10.793) 15.514 6.590 ( 6.964 5.837 -4.322) 10.062 7.248 ( -9.346 -8.621 8.132) 15.093 7.393 ( 10.733 0.951 -5.528) 12.110 7.628 ( -0.966 5.436 7.167) 9.047 8.378 ( 14.608 11.988 -4.040) 19.324 9.055 ( -8.390 25.025 3.801) 26.666 9.402 ( 0.034 12.436 7.512) 14.529 9.526 ( 11.241 -3.321 -19.540) 22.786 9.949 ( -8.993 4.321 11.592) 15.294 11.270 ( 6.323 -5.195 0.704) 8.214 11.417 ( -0.209 -10.588 2.338) 10.845 11.695 ( 3.076 -15.698 4.787) 16.698 12.388 ( 11.310 -6.664 -12.352) 18.025 12.874 ( -4.825 3.942 7.458) 9.718 13.044 ( -3.454 2.403 -4.118) 5.887 13.320 ( -1.824 -4.786 -0.357) 5.134 13.641 ( -1.523 -7.130 -0.238) 7.295 13.813 ( -2.462 -3.882 9.824) 10.846 14.070 ( -9.907 -3.659 -2.298) 10.808 14.601 ( 2.882 -4.503 -4.746) 7.149 14.847 ( -5.613 -7.880 3.898) 10.431 15.297 ( 1.241 5.562 -1.977) 6.032 15.589 ( 4.122 -2.400 -1.941) 5.149 16.127 ( -2.651 -3.131 -0.802) 4.180 16.765 ( 11.461 2.711 -14.155) 18.413 17.235 ( -8.379 -2.349 8.383) 12.083 17.346 ( 6.467 -10.600 -1.967) 12.571 17.602 ( 4.511 2.264 5.022) 7.120 18.570 ( 1.334 -5.496 0.985) 5.741 20.205 ( 1.679 0.324 -3.589) 3.975 20.560 ( -20.967 0.932 0.213) 20.988 20.822 ( -3.705 -11.519 4.232) 12.819 24.917 ( 0.602 4.690 0.484) 4.753 26.503 ( 2.828 10.884 -1.695) 11.373 27.126 ( 1.483 -1.400 1.253) 2.393 27.750 ( 2.761 8.681 -0.464) 9.121 ======================= Grid point 455 (223/227) ======================= q-point: (-0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 0.000 0.766 0.000) 0.766 3.404 ( 0.000 -3.082 0.000) 3.082 3.939 ( -0.000 2.828 0.000) 2.828 4.281 ( -0.000 15.848 -0.000) 15.848 4.888 ( 0.000 4.673 0.000) 4.673 5.155 ( -0.000 1.774 0.000) 1.774 5.926 ( -0.000 -11.615 -0.000) 11.615 5.961 ( 0.000 16.078 -0.000) 16.078 6.000 ( -0.000 5.829 0.000) 5.829 6.606 ( 0.000 8.537 0.000) 8.537 7.209 ( -0.000 -2.356 0.000) 2.356 7.461 ( 0.000 9.540 -0.000) 9.540 7.530 ( -0.000 5.112 0.000) 5.112 8.456 ( 0.000 1.502 0.000) 1.502 8.664 ( -0.000 25.128 0.000) 25.128 9.261 ( 0.000 14.298 -0.000) 14.298 9.605 ( -0.000 8.432 0.000) 8.432 9.867 ( 0.000 -3.149 0.000) 3.149 11.280 ( 0.000 3.824 0.000) 3.824 11.652 ( 0.000 -22.574 0.000) 22.574 11.889 ( 0.000 -13.374 0.000) 13.374 12.552 ( -0.000 -2.826 0.000) 2.826 12.798 ( 0.000 -1.928 0.000) 1.928 13.001 ( -0.000 -1.667 0.000) 1.667 13.367 ( 0.000 -5.706 0.000) 5.706 13.686 ( 0.000 -3.844 0.000) 3.844 13.863 ( 0.000 -6.412 0.000) 6.412 14.031 ( -0.000 -7.575 0.000) 7.575 14.672 ( -0.000 -3.784 0.000) 3.784 14.866 ( 0.000 -6.453 0.000) 6.453 15.249 ( 0.000 5.323 0.000) 5.323 15.649 ( 0.000 -1.524 0.000) 1.524 16.133 ( -0.000 -2.496 0.000) 2.496 16.869 ( 0.000 2.774 -0.000) 2.774 17.160 ( -0.000 -4.971 0.000) 4.971 17.541 ( 0.000 -14.548 0.000) 14.548 17.609 ( -0.000 2.691 0.000) 2.691 18.679 ( 0.000 -8.068 0.000) 8.068 20.234 ( 0.000 3.706 0.000) 3.706 20.299 ( -0.000 1.496 0.000) 1.496 20.935 ( 0.000 -14.825 0.000) 14.825 24.875 ( -0.000 3.621 0.000) 3.621 26.419 ( -0.000 9.873 0.000) 9.873 27.139 ( 0.000 1.691 -0.000) 1.691 27.656 ( 0.000 13.496 0.000) 13.496 ======================= Grid point 463 (224/227) ======================= q-point: ( 0.40 -0.60 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 227 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -7.977 0.000 -0.777) 8.014 3.343 ( -0.889 0.000 10.767) 10.804 3.943 ( -7.524 0.000 -10.131) 12.620 4.346 ( 13.903 -0.000 -1.479) 13.981 4.939 ( 8.920 -0.000 9.383) 12.946 5.282 ( -5.542 0.000 -12.485) 13.659 5.898 ( -13.942 0.000 -2.228) 14.119 6.101 ( 8.401 -0.000 -2.669) 8.815 6.459 ( 3.381 -0.000 -6.803) 7.597 6.682 ( -2.961 0.000 7.377) 7.949 7.129 ( 10.591 -0.000 -0.817) 10.622 7.152 ( -8.250 0.000 18.699) 20.438 7.641 ( 6.944 -0.000 8.710) 11.139 8.350 ( 31.864 -0.000 -7.513) 32.738 9.021 ( 9.210 -0.000 -17.302) 19.601 9.485 ( 6.362 -0.000 -1.210) 6.476 9.737 ( -6.540 0.000 16.605) 17.846 10.357 ( -4.534 0.000 5.533) 7.154 10.740 ( 9.400 -0.000 5.239) 10.761 11.411 ( -5.148 0.000 7.580) 9.163 11.536 ( -11.690 0.000 0.583) 11.704 11.985 ( 17.078 -0.000 -17.166) 24.214 12.986 ( 4.873 -0.000 -1.638) 5.141 13.261 ( -5.885 0.000 3.455) 6.824 13.405 ( 2.281 -0.000 3.722) 4.365 13.425 ( -11.833 0.000 -17.040) 20.746 13.896 ( -12.167 0.000 15.211) 19.479 14.313 ( -19.072 0.000 5.878) 19.957 14.416 ( 5.771 -0.000 -9.956) 11.508 14.774 ( -5.094 0.000 7.203) 8.823 15.376 ( 5.499 -0.000 -5.099) 7.499 15.453 ( 1.632 -0.000 -1.186) 2.018 16.119 ( -4.090 0.000 -4.633) 6.180 16.613 ( 10.224 -0.000 -20.424) 22.840 17.001 ( 13.318 -0.000 -4.988) 14.222 17.344 ( -7.452 0.000 16.786) 18.365 17.526 ( 7.792 -0.000 3.515) 8.548 18.567 ( -7.001 0.000 3.157) 7.680 20.146 ( 0.699 -0.000 -3.604) 3.671 20.754 ( -7.365 0.000 8.137) 10.975 20.984 ( -24.668 0.000 -0.812) 24.681 24.979 ( 2.319 -0.000 0.530) 2.378 26.680 ( 5.590 -0.000 -1.682) 5.838 26.997 ( 1.953 -0.000 -0.770) 2.099 27.784 ( 6.961 -0.000 1.449) 7.110 ======================= Grid point 465 (225/227) ======================= q-point: (-0.50 0.40 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 400 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -4.667 3.496 0.310) 5.839 3.337 ( -0.987 -1.425 6.272) 6.507 3.868 ( -3.587 -4.261 -6.698) 8.711 4.569 ( 11.701 4.007 0.224) 12.370 5.058 ( 5.894 3.778 11.207) 13.214 5.203 ( -3.002 0.640 -12.521) 12.892 5.650 ( -8.839 0.874 -3.511) 9.551 6.157 ( -3.167 -1.114 0.580) 3.407 6.490 ( 3.502 13.456 -6.414) 15.312 6.656 ( 5.113 -0.268 -2.235) 5.587 7.038 ( -10.655 -8.992 17.713) 22.542 7.330 ( 9.470 -3.743 -2.828) 10.568 7.700 ( 0.561 1.910 6.312) 6.618 8.784 ( 25.683 21.865 -5.930) 34.248 9.284 ( 13.534 -13.908 -11.500) 22.558 9.502 ( -0.135 10.628 -3.156) 11.087 9.594 ( -4.260 4.782 12.688) 14.213 10.089 ( -17.671 7.579 7.435) 20.615 10.992 ( 8.855 -12.153 3.748) 15.497 11.387 ( -3.605 -1.105 -1.612) 4.101 11.408 ( -1.603 -7.376 5.483) 9.329 12.288 ( 14.701 -2.586 -15.564) 21.565 13.036 ( -0.006 9.257 3.525) 9.905 13.119 ( -4.556 4.099 -5.089) 7.966 13.225 ( -7.527 -4.081 1.971) 8.786 13.452 ( -2.864 -9.376 2.094) 10.025 13.770 ( -3.364 -0.930 8.846) 9.510 14.024 ( -13.111 -0.981 -0.789) 13.172 14.520 ( 4.327 -2.602 -7.272) 8.853 14.710 ( -4.781 -3.962 5.891) 8.559 15.414 ( 2.145 5.514 -1.847) 6.198 15.518 ( 2.905 -4.320 -1.636) 5.457 16.075 ( -1.988 -1.397 -2.074) 3.195 16.797 ( 11.597 0.159 -21.103) 24.080 17.196 ( -9.716 -0.704 19.485) 21.785 17.223 ( 8.943 -2.278 -4.020) 10.066 17.659 ( 7.117 2.109 2.620) 7.872 18.467 ( -4.840 -3.326 2.085) 6.232 20.196 ( 4.313 -0.716 -4.113) 6.002 20.577 ( -19.303 0.538 0.344) 19.314 20.657 ( -6.499 -3.952 5.369) 9.310 25.001 ( 1.412 2.452 0.095) 2.831 26.711 ( 2.939 7.630 -1.126) 8.254 27.052 ( 1.313 -4.276 -0.075) 4.474 27.864 ( 3.575 2.619 0.743) 4.493 ======================= Grid point 466 (226/227) ======================= q-point: (-0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 207 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 0.000 4.719 0.000) 4.719 3.345 ( 0.000 -2.159 0.000) 2.159 3.890 ( -0.000 -5.530 0.000) 5.530 4.587 ( -0.000 12.142 0.000) 12.142 5.042 ( 0.000 8.727 0.000) 8.727 5.166 ( -0.000 -0.399 -0.000) 0.399 5.665 ( 0.000 -11.298 0.000) 11.298 6.079 ( 0.000 4.257 0.000) 4.257 6.338 ( 0.000 17.233 0.000) 17.233 6.741 ( 0.000 4.257 0.000) 4.257 7.028 ( -0.000 -12.860 0.000) 12.860 7.489 ( 0.000 -6.723 0.000) 6.723 7.642 ( -0.000 6.512 0.000) 6.512 8.777 ( 0.000 24.839 0.000) 24.839 9.211 ( 0.000 24.927 0.000) 24.927 9.505 ( 0.000 8.569 0.000) 8.569 9.702 ( 0.000 -13.245 0.000) 13.245 9.763 ( -0.000 6.492 0.000) 6.492 11.224 ( 0.000 -17.294 0.000) 17.294 11.341 ( -0.000 1.848 0.000) 1.848 11.557 ( -0.000 -17.047 0.000) 17.047 12.469 ( 0.000 -3.760 -0.000) 3.760 12.881 ( 0.000 9.889 0.000) 9.889 13.020 ( 0.000 2.673 0.000) 2.673 13.251 ( 0.000 -5.133 0.000) 5.133 13.537 ( 0.000 -10.667 0.000) 10.667 13.771 ( 0.000 -2.656 0.000) 2.656 13.918 ( -0.000 -3.265 0.000) 3.265 14.596 ( -0.000 -3.151 0.000) 3.151 14.714 ( 0.000 -6.850 0.000) 6.850 15.370 ( 0.000 6.052 0.000) 6.052 15.592 ( 0.000 -3.899 0.000) 3.899 16.076 ( -0.000 -2.258 0.000) 2.258 16.976 ( 0.000 5.569 -0.000) 5.569 17.034 ( -0.000 -6.194 0.000) 6.194 17.346 ( -0.000 -4.813 0.000) 4.813 17.688 ( -0.000 4.342 0.000) 4.342 18.495 ( 0.000 -8.480 0.000) 8.480 20.301 ( -0.000 2.434 0.000) 2.434 20.315 ( 0.000 -0.025 -0.000) 0.025 20.671 ( -0.000 -9.296 0.000) 9.296 24.975 ( -0.000 4.596 0.000) 4.596 26.640 ( -0.000 10.509 0.000) 10.509 27.110 ( 0.000 -3.972 -0.000) 3.972 27.851 ( -0.000 5.787 0.000) 5.787 ======================= Grid point 477 (227/227) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.98e-04 2.98e-04 2.98e-04 2.01e-04 2.01e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.000 -0.000 0.000) 0.000 3.322 ( 0.000 -0.000 0.000) 0.000 3.814 ( -0.000 -0.000 0.000) 0.000 4.723 ( -0.000 -0.000 0.000) 0.000 5.157 ( 0.000 -0.000 0.000) 0.000 5.160 ( -0.000 -0.000 -0.000) 0.000 5.527 ( 0.000 -0.000 0.000) 0.000 6.132 ( 0.000 -0.000 0.000) 0.000 6.619 ( -0.000 0.000 0.000) 0.000 6.785 ( 0.006 -0.000 -0.011) 0.013 6.785 ( -0.006 0.000 0.011) 0.013 7.401 ( 0.000 -0.000 0.000) 0.000 7.710 ( -0.000 -0.000 0.000) 0.000 9.242 ( 0.000 -0.000 0.000) 0.000 9.376 ( 0.000 0.000 0.000) 0.000 9.546 ( 0.000 -0.000 -0.000) 0.000 9.560 ( -0.000 0.000 -0.000) 0.000 9.847 ( -0.000 0.000 0.000) 0.000 11.020 ( -0.000 -0.000 0.000) 0.000 11.340 ( 0.000 0.000 0.000) 0.000 11.358 ( 0.000 -0.000 -0.000) 0.000 12.429 ( 0.000 -0.000 -0.000) 0.000 13.065 ( -0.000 -0.000 0.000) 0.000 13.081 ( 0.000 -0.000 0.000) 0.000 13.183 ( 0.000 -0.000 0.000) 0.000 13.336 ( -0.000 0.000 0.000) 0.000 13.745 ( -0.000 -0.000 0.000) 0.000 13.887 ( -0.000 -0.000 0.000) 0.000 14.560 ( -0.000 -0.000 0.000) 0.000 14.635 ( 0.000 -0.000 0.000) 0.000 15.481 ( 0.000 -0.000 0.000) 0.000 15.503 ( 0.000 0.000 0.000) 0.000 16.052 ( -0.000 -0.000 0.000) 0.000 16.962 ( 0.000 -0.000 -0.000) 0.000 17.040 ( -0.000 -0.000 0.000) 0.000 17.302 ( -0.000 -0.000 0.000) 0.000 17.746 ( -0.000 0.000 0.000) 0.000 18.392 ( 0.000 -0.000 0.000) 0.000 20.309 ( -0.000 -0.000 0.000) 0.000 20.327 ( 0.000 -0.000 0.000) 0.000 20.577 ( -0.000 -0.000 0.000) 0.000 25.027 ( -0.000 -0.000 0.000) 0.000 26.782 ( 0.000 -0.000 0.000) 0.000 27.037 ( 0.000 -0.000 0.000) 0.000 27.909 ( -0.000 -0.000 0.000) 0.000 =================== 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 3/36000 10.0 1885.871 670.486 664.189 -0.000 -91.024 0.000 3/36000 20.0 352.117 336.464 422.117 -0.000 -44.854 0.000 3/36000 30.0 109.882 111.665 137.363 0.000 -15.190 0.000 3/36000 40.0 56.396 55.963 67.288 0.000 -7.008 0.000 3/36000 50.0 36.825 35.200 41.120 0.000 -4.035 0.000 3/36000 60.0 27.161 25.091 28.600 0.000 -2.717 0.000 3/36000 70.0 21.492 19.323 21.590 0.000 -2.029 0.000 3/36000 80.0 17.772 15.653 17.213 0.000 -1.620 0.000 3/36000 90.0 15.136 13.128 14.258 0.000 -1.355 0.000 3/36000 100.0 13.168 11.290 12.145 0.000 -1.170 0.000 3/36000 110.0 11.643 9.893 10.569 0.000 -1.034 0.000 3/36000 120.0 10.427 8.798 9.353 0.000 -0.930 0.000 3/36000 130.0 9.438 7.919 8.392 0.000 -0.848 0.000 3/36000 140.0 8.620 7.199 7.616 0.000 -0.781 0.000 3/36000 150.0 7.934 6.600 6.977 0.000 -0.726 0.000 3/36000 160.0 7.352 6.095 6.444 0.000 -0.680 0.000 3/36000 170.0 6.852 5.664 5.992 0.000 -0.641 0.000 3/36000 180.0 6.420 5.292 5.606 0.000 -0.606 0.000 3/36000 190.0 6.043 4.969 5.271 0.000 -0.576 0.000 3/36000 200.0 5.710 4.685 4.978 0.000 -0.549 0.000 3/36000 210.0 5.416 4.434 4.719 0.000 -0.525 0.000 3/36000 220.0 5.153 4.211 4.490 0.000 -0.504 0.000 3/36000 230.0 4.917 4.011 4.284 0.000 -0.484 0.000 3/36000 240.0 4.704 3.831 4.098 0.000 -0.466 0.000 3/36000 250.0 4.510 3.668 3.930 0.000 -0.449 0.000 3/36000 260.0 4.333 3.520 3.776 0.000 -0.434 0.000 3/36000 270.0 4.171 3.385 3.636 0.000 -0.419 0.000 3/36000 280.0 4.022 3.260 3.506 0.000 -0.406 0.000 3/36000 290.0 3.885 3.146 3.387 0.000 -0.394 0.000 3/36000 300.0 3.757 3.040 3.276 0.000 -0.382 0.000 3/36000 310.0 3.638 2.941 3.172 0.000 -0.371 0.000 3/36000 320.0 3.527 2.850 3.076 0.000 -0.360 0.000 3/36000 330.0 3.423 2.764 2.986 0.000 -0.351 0.000 3/36000 340.0 3.326 2.684 2.901 0.000 -0.341 0.000 3/36000 350.0 3.234 2.609 2.821 0.000 -0.332 0.000 3/36000 360.0 3.148 2.538 2.746 0.000 -0.324 0.000 3/36000 370.0 3.066 2.471 2.675 0.000 -0.316 0.000 3/36000 380.0 2.989 2.408 2.607 0.000 -0.309 0.000 3/36000 390.0 2.916 2.349 2.543 0.000 -0.301 0.000 3/36000 400.0 2.847 2.292 2.483 0.000 -0.294 0.000 3/36000 410.0 2.780 2.239 2.425 0.000 -0.288 0.000 3/36000 420.0 2.717 2.187 2.370 0.000 -0.281 0.000 3/36000 430.0 2.657 2.139 2.317 0.000 -0.275 0.000 3/36000 440.0 2.600 2.092 2.267 0.000 -0.270 0.000 3/36000 450.0 2.545 2.048 2.219 0.000 -0.264 0.000 3/36000 460.0 2.492 2.005 2.173 0.000 -0.259 0.000 3/36000 470.0 2.442 1.965 2.129 0.000 -0.254 0.000 3/36000 480.0 2.394 1.926 2.087 0.000 -0.249 0.000 3/36000 490.0 2.347 1.888 2.046 0.000 -0.244 0.000 3/36000 500.0 2.303 1.852 2.007 0.000 -0.239 0.000 3/36000 510.0 2.260 1.818 1.970 0.000 -0.235 0.000 3/36000 520.0 2.218 1.784 1.934 0.000 -0.231 0.000 3/36000 530.0 2.179 1.752 1.899 0.000 -0.227 0.000 3/36000 540.0 2.140 1.721 1.865 0.000 -0.223 0.000 3/36000 550.0 2.103 1.691 1.833 0.000 -0.219 0.000 3/36000 560.0 2.067 1.663 1.802 0.000 -0.215 0.000 3/36000 570.0 2.033 1.635 1.772 0.000 -0.212 0.000 3/36000 580.0 1.999 1.608 1.742 0.000 -0.208 0.000 3/36000 590.0 1.967 1.582 1.714 0.000 -0.205 0.000 3/36000 600.0 1.936 1.557 1.687 0.000 -0.202 0.000 3/36000 610.0 1.905 1.532 1.660 0.000 -0.198 0.000 3/36000 620.0 1.876 1.509 1.634 0.000 -0.195 0.000 3/36000 630.0 1.848 1.486 1.610 0.000 -0.192 0.000 3/36000 640.0 1.820 1.464 1.585 0.000 -0.190 0.000 3/36000 650.0 1.793 1.442 1.562 0.000 -0.187 0.000 3/36000 660.0 1.767 1.421 1.539 0.000 -0.184 0.000 3/36000 670.0 1.742 1.401 1.517 0.000 -0.181 0.000 3/36000 680.0 1.717 1.381 1.496 0.000 -0.179 0.000 3/36000 690.0 1.693 1.362 1.475 0.000 -0.176 0.000 3/36000 700.0 1.670 1.343 1.455 0.000 -0.174 0.000 3/36000 710.0 1.647 1.325 1.435 0.000 -0.172 0.000 3/36000 720.0 1.625 1.308 1.416 0.000 -0.169 0.000 3/36000 730.0 1.604 1.290 1.397 0.000 -0.167 0.000 3/36000 740.0 1.583 1.274 1.379 0.000 -0.165 0.000 3/36000 750.0 1.563 1.257 1.361 0.000 -0.163 0.000 3/36000 760.0 1.543 1.241 1.344 0.000 -0.161 0.000 3/36000 770.0 1.524 1.226 1.327 0.000 -0.159 0.000 3/36000 780.0 1.505 1.211 1.310 0.000 -0.157 0.000 3/36000 790.0 1.486 1.196 1.294 0.000 -0.155 0.000 3/36000 800.0 1.468 1.182 1.278 0.000 -0.153 0.000 3/36000 810.0 1.451 1.167 1.263 0.000 -0.151 0.000 3/36000 820.0 1.434 1.154 1.248 0.000 -0.149 0.000 3/36000 830.0 1.417 1.140 1.234 0.000 -0.148 0.000 3/36000 840.0 1.401 1.127 1.219 0.000 -0.146 0.000 3/36000 850.0 1.385 1.114 1.205 0.000 -0.144 0.000 3/36000 860.0 1.369 1.102 1.192 0.000 -0.143 0.000 3/36000 870.0 1.354 1.090 1.179 0.000 -0.141 0.000 3/36000 880.0 1.339 1.078 1.166 0.000 -0.140 0.000 3/36000 890.0 1.324 1.066 1.153 0.000 -0.138 0.000 3/36000 900.0 1.310 1.054 1.140 0.000 -0.137 0.000 3/36000 910.0 1.296 1.043 1.128 0.000 -0.135 0.000 3/36000 920.0 1.282 1.032 1.116 0.000 -0.134 0.000 3/36000 930.0 1.269 1.021 1.105 0.000 -0.132 0.000 3/36000 940.0 1.256 1.011 1.093 0.000 -0.131 0.000 3/36000 950.0 1.243 1.001 1.082 0.000 -0.130 0.000 3/36000 960.0 1.230 0.990 1.071 0.000 -0.128 0.000 3/36000 970.0 1.218 0.980 1.060 0.000 -0.127 0.000 3/36000 980.0 1.206 0.971 1.050 0.000 -0.126 0.000 3/36000 990.0 1.194 0.961 1.039 0.000 -0.125 0.000 3/36000 1000.0 1.182 0.952 1.029 0.000 -0.123 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10108.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:39:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|