----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:32:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.437085690880739 1.407052079668177 5.343954463333327 b -2.437085690880734 1.407052079668177 5.343954463333327 c 0.000000000000002 -2.814104159336358 5.343954463333327 Atomic positions (fractional): *1 B 0.76037839515812 0.76037839515812 0.76037839515812 10.811 2 B 0.23962160484188 0.23962160484188 0.23962160484188 10.811 *3 O 0.05321850454193 0.73190616850115 0.48796062455089 15.999 4 O 0.48796062455089 0.05321850454193 0.73190616850114 15.999 5 O 0.26809383149886 0.51203937544912 0.94678149545807 15.999 6 O 0.94678149545807 0.26809383149886 0.51203937544911 15.999 7 O 0.51203937544911 0.94678149545807 0.26809383149886 15.999 8 O 0.73190616850114 0.48796062455089 0.05321850454193 15.999 *9 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 *10 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.874171381761474 0.000000000000000 0.000000000000000 b -2.437085690880737 4.221156239004536 0.000000000000000 c 0.000000000000000 0.000000000000000 16.031863389999998 Atomic positions (fractional): *1 B 0.00000000000000 0.00000000000000 0.76037839515812 10.811 > 1 2 B 0.33333333333333 0.66666666666667 0.90628827150855 10.811 > 2 3 B 0.66666666666667 0.33333333333333 0.09371172849145 10.811 > 1 4 B 0.00000000000000 0.00000000000000 0.23962160484188 10.811 > 2 5 B 0.33333333333333 0.66666666666667 0.42704506182479 10.811 > 1 6 B 0.66666666666667 0.33333333333333 0.57295493817522 10.811 > 2 *7 O 0.29552340534394 0.26973447464710 0.75769509919799 15.999 > 3 8 O 0.73026552535290 0.02578893069684 0.75769509919799 15.999 > 4 9 O 0.35912226403018 0.96219007201061 0.90897156746868 15.999 > 5 10 O 0.03780992798939 0.39693219201957 0.90897156746868 15.999 > 6 11 O 0.60306780798043 0.64087773596982 0.90897156746868 15.999 > 7 12 O 0.97421106930316 0.70447659465606 0.75769509919799 15.999 > 8 13 O 0.96219007201061 0.60306780798043 0.09102843253132 15.999 > 3 14 O 0.39693219201957 0.35912226403018 0.09102843253132 15.999 > 4 15 O 0.02578893069684 0.29552340534394 0.24230490080201 15.999 > 5 16 O 0.70447659465606 0.73026552535290 0.24230490080201 15.999 > 6 17 O 0.26973447464710 0.97421106930316 0.24230490080201 15.999 > 7 18 O 0.64087773596982 0.03780992798939 0.09102843253132 15.999 > 8 19 O 0.62885673867728 0.93640114131377 0.42436176586465 15.999 > 3 20 O 0.06359885868623 0.69245559736351 0.42436176586465 15.999 > 4 21 O 0.69245559736351 0.62885673867728 0.57563823413534 15.999 > 5 22 O 0.37114326132272 0.06359885868623 0.57563823413534 15.999 > 6 23 O 0.93640114131377 0.30754440263649 0.57563823413534 15.999 > 7 24 O 0.30754440263649 0.37114326132272 0.42436176586465 15.999 > 8 *25 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 9 26 Ca 0.66666666666667 0.33333333333333 0.33333333333333 40.078 > 9 27 Ca 0.33333333333333 0.66666666666667 0.66666666666667 40.078 > 9 *28 Sn 0.66666666666667 0.33333333333333 0.83333333333333 118.710 > 10 29 Sn 0.33333333333333 0.66666666666667 0.16666666666667 118.710 > 10 30 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.748342763522947 0.000000000000000 0.000000000000000 b -4.874171381761474 8.442312478009072 0.000000000000000 c 0.000000000000000 0.000000000000000 16.031863389999998 Atomic positions (fractional): *1 B 0.00000000000000 0.00000000000000 0.76037839515812 10.811 > 1 2 B 0.50000000000000 0.00000000000000 0.76037839515812 10.811 > 1 3 B 0.00000000000000 0.50000000000000 0.76037839515812 10.811 > 1 4 B 0.50000000000000 0.50000000000000 0.76037839515812 10.811 > 1 5 B 0.16666666666667 0.33333333333333 0.90628827150855 10.811 > 2 6 B 0.66666666666667 0.33333333333333 0.90628827150855 10.811 > 2 7 B 0.16666666666667 0.83333333333333 0.90628827150855 10.811 > 2 8 B 0.66666666666667 0.83333333333333 0.90628827150855 10.811 > 2 9 B 0.33333333333333 0.16666666666667 0.09371172849145 10.811 > 1 10 B 0.83333333333333 0.16666666666667 0.09371172849145 10.811 > 1 11 B 0.33333333333333 0.66666666666667 0.09371172849145 10.811 > 1 12 B 0.83333333333333 0.66666666666667 0.09371172849145 10.811 > 1 13 B 0.00000000000000 0.00000000000000 0.23962160484188 10.811 > 2 14 B 0.50000000000000 0.00000000000000 0.23962160484188 10.811 > 2 15 B 0.00000000000000 0.50000000000000 0.23962160484188 10.811 > 2 16 B 0.50000000000000 0.50000000000000 0.23962160484188 10.811 > 2 17 B 0.16666666666667 0.33333333333333 0.42704506182479 10.811 > 1 18 B 0.66666666666667 0.33333333333333 0.42704506182479 10.811 > 1 19 B 0.16666666666667 0.83333333333333 0.42704506182479 10.811 > 1 20 B 0.66666666666667 0.83333333333333 0.42704506182479 10.811 > 1 21 B 0.33333333333333 0.16666666666667 0.57295493817522 10.811 > 2 22 B 0.83333333333333 0.16666666666667 0.57295493817522 10.811 > 2 23 B 0.33333333333333 0.66666666666667 0.57295493817522 10.811 > 2 24 B 0.83333333333333 0.66666666666667 0.57295493817522 10.811 > 2 *25 O 0.14776170267197 0.13486723732355 0.75769509919799 15.999 > 3 26 O 0.64776170267197 0.13486723732355 0.75769509919799 15.999 > 3 27 O 0.14776170267197 0.63486723732355 0.75769509919799 15.999 > 3 28 O 0.64776170267197 0.63486723732355 0.75769509919799 15.999 > 3 29 O 0.36513276267645 0.01289446534842 0.75769509919799 15.999 > 4 30 O 0.86513276267645 0.01289446534842 0.75769509919799 15.999 > 4 31 O 0.36513276267645 0.51289446534842 0.75769509919799 15.999 > 4 32 O 0.86513276267645 0.51289446534842 0.75769509919799 15.999 > 4 33 O 0.17956113201509 0.48109503600531 0.90897156746868 15.999 > 5 34 O 0.67956113201509 0.48109503600531 0.90897156746868 15.999 > 5 35 O 0.17956113201509 0.98109503600531 0.90897156746868 15.999 > 5 36 O 0.67956113201509 0.98109503600531 0.90897156746868 15.999 > 5 37 O 0.01890496399469 0.19846609600978 0.90897156746868 15.999 > 6 38 O 0.51890496399469 0.19846609600978 0.90897156746868 15.999 > 6 39 O 0.01890496399469 0.69846609600978 0.90897156746868 15.999 > 6 40 O 0.51890496399469 0.69846609600978 0.90897156746868 15.999 > 6 41 O 0.30153390399022 0.32043886798491 0.90897156746868 15.999 > 7 42 O 0.80153390399022 0.32043886798491 0.90897156746868 15.999 > 7 43 O 0.30153390399022 0.82043886798491 0.90897156746868 15.999 > 7 44 O 0.80153390399022 0.82043886798491 0.90897156746868 15.999 > 7 45 O 0.48710553465158 0.35223829732803 0.75769509919799 15.999 > 8 46 O 0.98710553465158 0.35223829732803 0.75769509919799 15.999 > 8 47 O 0.48710553465158 0.85223829732803 0.75769509919799 15.999 > 8 48 O 0.98710553465158 0.85223829732803 0.75769509919799 15.999 > 8 49 O 0.48109503600531 0.30153390399022 0.09102843253132 15.999 > 3 50 O 0.98109503600531 0.30153390399022 0.09102843253132 15.999 > 3 51 O 0.48109503600531 0.80153390399022 0.09102843253132 15.999 > 3 52 O 0.98109503600531 0.80153390399022 0.09102843253132 15.999 > 3 53 O 0.19846609600978 0.17956113201509 0.09102843253132 15.999 > 4 54 O 0.69846609600978 0.17956113201509 0.09102843253132 15.999 > 4 55 O 0.19846609600978 0.67956113201509 0.09102843253132 15.999 > 4 56 O 0.69846609600978 0.67956113201509 0.09102843253132 15.999 > 4 57 O 0.01289446534842 0.14776170267197 0.24230490080201 15.999 > 5 58 O 0.51289446534842 0.14776170267197 0.24230490080201 15.999 > 5 59 O 0.01289446534842 0.64776170267197 0.24230490080201 15.999 > 5 60 O 0.51289446534842 0.64776170267197 0.24230490080201 15.999 > 5 61 O 0.35223829732803 0.36513276267645 0.24230490080201 15.999 > 6 62 O 0.85223829732803 0.36513276267645 0.24230490080201 15.999 > 6 63 O 0.35223829732803 0.86513276267645 0.24230490080201 15.999 > 6 64 O 0.85223829732803 0.86513276267645 0.24230490080201 15.999 > 6 65 O 0.13486723732355 0.48710553465158 0.24230490080201 15.999 > 7 66 O 0.63486723732355 0.48710553465158 0.24230490080201 15.999 > 7 67 O 0.13486723732355 0.98710553465158 0.24230490080201 15.999 > 7 68 O 0.63486723732355 0.98710553465158 0.24230490080201 15.999 > 7 69 O 0.32043886798491 0.01890496399469 0.09102843253132 15.999 > 8 70 O 0.82043886798491 0.01890496399469 0.09102843253132 15.999 > 8 71 O 0.32043886798491 0.51890496399469 0.09102843253132 15.999 > 8 72 O 0.82043886798491 0.51890496399469 0.09102843253132 15.999 > 8 73 O 0.31442836933864 0.46820057065688 0.42436176586465 15.999 > 3 74 O 0.81442836933864 0.46820057065688 0.42436176586465 15.999 > 3 75 O 0.31442836933864 0.96820057065688 0.42436176586465 15.999 > 3 76 O 0.81442836933864 0.96820057065688 0.42436176586465 15.999 > 3 77 O 0.03179942934312 0.34622779868176 0.42436176586465 15.999 > 4 78 O 0.53179942934312 0.34622779868176 0.42436176586465 15.999 > 4 79 O 0.03179942934312 0.84622779868176 0.42436176586465 15.999 > 4 80 O 0.53179942934312 0.84622779868176 0.42436176586465 15.999 > 4 81 O 0.34622779868176 0.31442836933864 0.57563823413534 15.999 > 5 82 O 0.84622779868176 0.31442836933864 0.57563823413534 15.999 > 5 83 O 0.34622779868176 0.81442836933864 0.57563823413534 15.999 > 5 84 O 0.84622779868176 0.81442836933864 0.57563823413534 15.999 > 5 85 O 0.18557163066136 0.03179942934312 0.57563823413534 15.999 > 6 86 O 0.68557163066136 0.03179942934312 0.57563823413534 15.999 > 6 87 O 0.18557163066136 0.53179942934312 0.57563823413534 15.999 > 6 88 O 0.68557163066136 0.53179942934312 0.57563823413534 15.999 > 6 89 O 0.46820057065688 0.15377220131824 0.57563823413534 15.999 > 7 90 O 0.96820057065688 0.15377220131824 0.57563823413534 15.999 > 7 91 O 0.46820057065688 0.65377220131824 0.57563823413534 15.999 > 7 92 O 0.96820057065688 0.65377220131824 0.57563823413534 15.999 > 7 93 O 0.15377220131824 0.18557163066136 0.42436176586465 15.999 > 8 94 O 0.65377220131824 0.18557163066136 0.42436176586465 15.999 > 8 95 O 0.15377220131824 0.68557163066136 0.42436176586465 15.999 > 8 96 O 0.65377220131824 0.68557163066136 0.42436176586465 15.999 > 8 *97 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 9 98 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 9 99 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 9 100 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 9 101 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 9 102 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 9 103 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 9 104 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 9 105 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 9 106 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 9 107 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 9 108 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 9 *109 Sn 0.33333333333333 0.16666666666667 0.83333333333333 118.710 > 10 110 Sn 0.83333333333333 0.16666666666667 0.83333333333333 118.710 > 10 111 Sn 0.33333333333333 0.66666666666667 0.83333333333333 118.710 > 10 112 Sn 0.83333333333333 0.66666666666667 0.83333333333333 118.710 > 10 113 Sn 0.16666666666667 0.33333333333333 0.16666666666667 118.710 > 10 114 Sn 0.66666666666667 0.33333333333333 0.16666666666667 118.710 > 10 115 Sn 0.16666666666667 0.83333333333333 0.16666666666667 118.710 > 10 116 Sn 0.66666666666667 0.83333333333333 0.16666666666667 118.710 > 10 117 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 10 118 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 10 119 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 10 120 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5074115 -0.0000003 0.0000000 0.0000003 3.5074115 0.0000000 0.0000000 0.0000000 2.9855669 -------------------------- Born effective charges -------------------------- 1 B 2.8833712 0.3583654 -0.0000000 -0.3583654 2.8833712 -0.0000000 -0.0000000 -0.0000000 0.6630868 2 B 2.8833712 0.3583654 -0.0000000 -0.3583654 2.8833712 -0.0000000 -0.0000000 -0.0000000 0.6630868 3 O -1.9775443 -0.6213406 -0.3108296 -0.4740062 -2.2000450 0.0828125 -0.2700404 0.0898096 -1.2932030 4 O -2.6187189 0.1038239 0.0836971 0.2511583 -1.5588704 -0.3105926 0.0572429 -0.2787666 -1.2932030 5 O -1.6701207 0.2965151 0.2271325 0.4438495 -2.5074685 0.2277801 0.2127976 0.1889571 -1.2932030 6 O -1.9775443 -0.6213406 -0.3108296 -0.4740062 -2.2000450 0.0828125 -0.2700404 0.0898096 -1.2932030 7 O -2.6187189 0.1038239 0.0836971 0.2511583 -1.5588704 -0.3105926 0.0572429 -0.2787666 -1.2932030 8 O -1.6701207 0.2965151 0.2271325 0.4438495 -2.5074685 0.2277801 0.2127976 0.1889571 -1.2932030 9 Ca 2.4455488 0.0223715 -0.0000000 -0.0223715 2.4455488 -0.0000000 -0.0000000 -0.0000000 2.8652597 10 Sn 4.3204765 -0.2970992 -0.0000000 0.2970992 4.3204765 -0.0000000 -0.0000000 -0.0000000 3.5677845 ---------------------------------------------------------------------------- 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: 7032/7032 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (126, 122), data: True |-- (388, 384), data: True |-- (438, 429), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.055 Solver_block: 100 / 240 - Time: 1.022 Solver_block: 200 / 240 - Time: 1.172 Solver_block: 240 / 240 - Time: 0.542 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.035 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 360/360 Permutation basis: 7032/7032 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 952 Number of blocks in projector: 450 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 388 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 126 Use standard eigh solver. Tree of FC basis block matrices: - (952, 935), data: False |-- (126, 122), data: True |-- (388, 384), data: True |-- (438, 429), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yx) 0.00000000 (yx) 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 00:32:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:33:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.437085690880739 1.407052079668177 5.343954463333327 b -2.437085690880734 1.407052079668177 5.343954463333327 c 0.000000000000002 -2.814104159336358 5.343954463333327 Atomic positions (fractional): 1 B 0.76037839515812 0.76037839515812 0.76037839515812 10.811 2 B 0.23962160484188 0.23962160484188 0.23962160484188 10.811 3 O 0.05321850454193 0.73190616850115 0.48796062455089 15.999 4 O 0.48796062455089 0.05321850454193 0.73190616850114 15.999 5 O 0.26809383149886 0.51203937544912 0.94678149545807 15.999 6 O 0.94678149545807 0.26809383149886 0.51203937544911 15.999 7 O 0.51203937544911 0.94678149545807 0.26809383149886 15.999 8 O 0.73190616850114 0.48796062455089 0.05321850454193 15.999 9 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 10 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.748342763522947 0.000000000000000 0.000000000000000 b -4.874171381761474 8.442312478009072 0.000000000000000 c 0.000000000000000 0.000000000000000 16.031863389999998 Atomic positions (fractional): 1 B 0.00000000000000 0.00000000000000 0.76037839515812 10.811 > 1 2 B 0.50000000000000 0.00000000000000 0.76037839515812 10.811 > 1 3 B 0.00000000000000 0.50000000000000 0.76037839515812 10.811 > 1 4 B 0.50000000000000 0.50000000000000 0.76037839515812 10.811 > 1 5 B 0.16666666666667 0.33333333333333 0.90628827150855 10.811 > 5 6 B 0.66666666666667 0.33333333333333 0.90628827150855 10.811 > 5 7 B 0.16666666666667 0.83333333333333 0.90628827150855 10.811 > 5 8 B 0.66666666666667 0.83333333333333 0.90628827150855 10.811 > 5 9 B 0.33333333333333 0.16666666666667 0.09371172849145 10.811 > 1 10 B 0.83333333333333 0.16666666666667 0.09371172849145 10.811 > 1 11 B 0.33333333333333 0.66666666666667 0.09371172849145 10.811 > 1 12 B 0.83333333333333 0.66666666666667 0.09371172849145 10.811 > 1 13 B 0.00000000000000 0.00000000000000 0.23962160484188 10.811 > 5 14 B 0.50000000000000 0.00000000000000 0.23962160484188 10.811 > 5 15 B 0.00000000000000 0.50000000000000 0.23962160484188 10.811 > 5 16 B 0.50000000000000 0.50000000000000 0.23962160484188 10.811 > 5 17 B 0.16666666666667 0.33333333333333 0.42704506182479 10.811 > 1 18 B 0.66666666666667 0.33333333333333 0.42704506182479 10.811 > 1 19 B 0.16666666666667 0.83333333333333 0.42704506182479 10.811 > 1 20 B 0.66666666666667 0.83333333333333 0.42704506182479 10.811 > 1 21 B 0.33333333333333 0.16666666666667 0.57295493817522 10.811 > 5 22 B 0.83333333333333 0.16666666666667 0.57295493817522 10.811 > 5 23 B 0.33333333333333 0.66666666666667 0.57295493817522 10.811 > 5 24 B 0.83333333333333 0.66666666666667 0.57295493817522 10.811 > 5 25 O 0.14776170267197 0.13486723732355 0.75769509919799 15.999 > 25 26 O 0.64776170267197 0.13486723732355 0.75769509919799 15.999 > 25 27 O 0.14776170267197 0.63486723732355 0.75769509919799 15.999 > 25 28 O 0.64776170267197 0.63486723732355 0.75769509919799 15.999 > 25 29 O 0.36513276267645 0.01289446534842 0.75769509919799 15.999 > 29 30 O 0.86513276267645 0.01289446534842 0.75769509919799 15.999 > 29 31 O 0.36513276267645 0.51289446534842 0.75769509919799 15.999 > 29 32 O 0.86513276267645 0.51289446534842 0.75769509919799 15.999 > 29 33 O 0.17956113201509 0.48109503600531 0.90897156746868 15.999 > 33 34 O 0.67956113201509 0.48109503600531 0.90897156746868 15.999 > 33 35 O 0.17956113201509 0.98109503600531 0.90897156746868 15.999 > 33 36 O 0.67956113201509 0.98109503600531 0.90897156746868 15.999 > 33 37 O 0.01890496399469 0.19846609600978 0.90897156746868 15.999 > 37 38 O 0.51890496399469 0.19846609600978 0.90897156746868 15.999 > 37 39 O 0.01890496399469 0.69846609600978 0.90897156746868 15.999 > 37 40 O 0.51890496399469 0.69846609600978 0.90897156746868 15.999 > 37 41 O 0.30153390399022 0.32043886798491 0.90897156746868 15.999 > 41 42 O 0.80153390399022 0.32043886798491 0.90897156746868 15.999 > 41 43 O 0.30153390399022 0.82043886798491 0.90897156746868 15.999 > 41 44 O 0.80153390399022 0.82043886798491 0.90897156746868 15.999 > 41 45 O 0.48710553465158 0.35223829732803 0.75769509919799 15.999 > 45 46 O 0.98710553465158 0.35223829732803 0.75769509919799 15.999 > 45 47 O 0.48710553465158 0.85223829732803 0.75769509919799 15.999 > 45 48 O 0.98710553465158 0.85223829732803 0.75769509919799 15.999 > 45 49 O 0.48109503600531 0.30153390399022 0.09102843253132 15.999 > 25 50 O 0.98109503600531 0.30153390399022 0.09102843253132 15.999 > 25 51 O 0.48109503600531 0.80153390399022 0.09102843253132 15.999 > 25 52 O 0.98109503600531 0.80153390399022 0.09102843253132 15.999 > 25 53 O 0.19846609600978 0.17956113201509 0.09102843253132 15.999 > 29 54 O 0.69846609600978 0.17956113201509 0.09102843253132 15.999 > 29 55 O 0.19846609600978 0.67956113201509 0.09102843253132 15.999 > 29 56 O 0.69846609600978 0.67956113201509 0.09102843253132 15.999 > 29 57 O 0.01289446534842 0.14776170267197 0.24230490080201 15.999 > 33 58 O 0.51289446534842 0.14776170267197 0.24230490080201 15.999 > 33 59 O 0.01289446534842 0.64776170267197 0.24230490080201 15.999 > 33 60 O 0.51289446534842 0.64776170267197 0.24230490080201 15.999 > 33 61 O 0.35223829732803 0.36513276267645 0.24230490080201 15.999 > 37 62 O 0.85223829732803 0.36513276267645 0.24230490080201 15.999 > 37 63 O 0.35223829732803 0.86513276267645 0.24230490080201 15.999 > 37 64 O 0.85223829732803 0.86513276267645 0.24230490080201 15.999 > 37 65 O 0.13486723732355 0.48710553465158 0.24230490080201 15.999 > 41 66 O 0.63486723732355 0.48710553465158 0.24230490080201 15.999 > 41 67 O 0.13486723732355 0.98710553465158 0.24230490080201 15.999 > 41 68 O 0.63486723732355 0.98710553465158 0.24230490080201 15.999 > 41 69 O 0.32043886798491 0.01890496399469 0.09102843253132 15.999 > 45 70 O 0.82043886798491 0.01890496399469 0.09102843253132 15.999 > 45 71 O 0.32043886798491 0.51890496399469 0.09102843253132 15.999 > 45 72 O 0.82043886798491 0.51890496399469 0.09102843253132 15.999 > 45 73 O 0.31442836933864 0.46820057065688 0.42436176586465 15.999 > 25 74 O 0.81442836933864 0.46820057065688 0.42436176586465 15.999 > 25 75 O 0.31442836933864 0.96820057065688 0.42436176586465 15.999 > 25 76 O 0.81442836933864 0.96820057065688 0.42436176586465 15.999 > 25 77 O 0.03179942934312 0.34622779868176 0.42436176586465 15.999 > 29 78 O 0.53179942934312 0.34622779868176 0.42436176586465 15.999 > 29 79 O 0.03179942934312 0.84622779868176 0.42436176586465 15.999 > 29 80 O 0.53179942934312 0.84622779868176 0.42436176586465 15.999 > 29 81 O 0.34622779868176 0.31442836933864 0.57563823413534 15.999 > 33 82 O 0.84622779868176 0.31442836933864 0.57563823413534 15.999 > 33 83 O 0.34622779868176 0.81442836933864 0.57563823413534 15.999 > 33 84 O 0.84622779868176 0.81442836933864 0.57563823413534 15.999 > 33 85 O 0.18557163066136 0.03179942934312 0.57563823413534 15.999 > 37 86 O 0.68557163066136 0.03179942934312 0.57563823413534 15.999 > 37 87 O 0.18557163066136 0.53179942934312 0.57563823413534 15.999 > 37 88 O 0.68557163066136 0.53179942934312 0.57563823413534 15.999 > 37 89 O 0.46820057065688 0.15377220131824 0.57563823413534 15.999 > 41 90 O 0.96820057065688 0.15377220131824 0.57563823413534 15.999 > 41 91 O 0.46820057065688 0.65377220131824 0.57563823413534 15.999 > 41 92 O 0.96820057065688 0.65377220131824 0.57563823413534 15.999 > 41 93 O 0.15377220131824 0.18557163066136 0.42436176586465 15.999 > 45 94 O 0.65377220131824 0.18557163066136 0.42436176586465 15.999 > 45 95 O 0.15377220131824 0.68557163066136 0.42436176586465 15.999 > 45 96 O 0.65377220131824 0.68557163066136 0.42436176586465 15.999 > 45 97 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 97 98 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 97 99 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 97 100 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 97 101 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 97 102 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 97 103 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 97 104 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 97 105 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 97 106 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 97 107 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 97 108 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 97 109 Sn 0.33333333333333 0.16666666666667 0.83333333333333 118.710 > 109 110 Sn 0.83333333333333 0.16666666666667 0.83333333333333 118.710 > 109 111 Sn 0.33333333333333 0.66666666666667 0.83333333333333 118.710 > 109 112 Sn 0.83333333333333 0.66666666666667 0.83333333333333 118.710 > 109 113 Sn 0.16666666666667 0.33333333333333 0.16666666666667 118.710 > 109 114 Sn 0.66666666666667 0.33333333333333 0.16666666666667 118.710 > 109 115 Sn 0.16666666666667 0.83333333333333 0.16666666666667 118.710 > 109 116 Sn 0.66666666666667 0.83333333333333 0.16666666666667 118.710 > 109 117 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 109 118 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 109 119 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 109 120 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5074115 -0.0000003 0.0000000 0.0000003 3.5074115 0.0000000 0.0000000 0.0000000 2.9855669 -------------------------- Born effective charges -------------------------- 1 B 2.8833712 0.3583654 -0.0000000 -0.3583654 2.8833712 -0.0000000 -0.0000000 -0.0000000 0.6630868 2 B 2.8833712 0.3583654 -0.0000000 -0.3583654 2.8833712 -0.0000000 -0.0000000 -0.0000000 0.6630868 3 O -1.9775443 -0.6213406 -0.3108296 -0.4740062 -2.2000450 0.0828125 -0.2700404 0.0898096 -1.2932030 4 O -2.6187189 0.1038239 0.0836971 0.2511583 -1.5588704 -0.3105926 0.0572429 -0.2787666 -1.2932030 5 O -1.6701207 0.2965151 0.2271325 0.4438495 -2.5074685 0.2277801 0.2127976 0.1889571 -1.2932030 6 O -1.9775443 -0.6213406 -0.3108296 -0.4740062 -2.2000450 0.0828125 -0.2700404 0.0898096 -1.2932030 7 O -2.6187189 0.1038239 0.0836971 0.2511583 -1.5588704 -0.3105926 0.0572429 -0.2787666 -1.2932030 8 O -1.6701207 0.2965151 0.2271325 0.4438495 -2.5074685 0.2277801 0.2127976 0.1889571 -1.2932030 9 Ca 2.4455488 0.0223715 -0.0000000 -0.0223715 2.4455488 -0.0000000 -0.0000000 -0.0000000 2.8652597 10 Sn 4.3204765 -0.2970992 -0.0000000 0.2970992 4.3204765 -0.0000000 -0.0000000 -0.0000000 3.5677845 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000012 (xxx) 0.00000012 (xxx) 0.00000012 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (yx) -0.00000003 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:33:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:33:14]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.437085690880739 1.407052079668177 5.343954463333327 b -2.437085690880734 1.407052079668177 5.343954463333327 c 0.000000000000002 -2.814104159336358 5.343954463333327 Atomic positions (fractional): 1 B 0.76037839515812 0.76037839515812 0.76037839515812 10.811 2 B 0.23962160484188 0.23962160484188 0.23962160484188 10.811 3 O 0.05321850454193 0.73190616850115 0.48796062455089 15.999 4 O 0.48796062455089 0.05321850454193 0.73190616850114 15.999 5 O 0.26809383149886 0.51203937544912 0.94678149545807 15.999 6 O 0.94678149545807 0.26809383149886 0.51203937544911 15.999 7 O 0.51203937544911 0.94678149545807 0.26809383149886 15.999 8 O 0.73190616850114 0.48796062455089 0.05321850454193 15.999 9 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 10 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.748342763522947 0.000000000000000 0.000000000000000 b -4.874171381761474 8.442312478009072 0.000000000000000 c 0.000000000000000 0.000000000000000 16.031863389999998 Atomic positions (fractional): 1 B 0.00000000000000 0.00000000000000 0.76037839515812 10.811 > 1 2 B 0.50000000000000 0.00000000000000 0.76037839515812 10.811 > 1 3 B 0.00000000000000 0.50000000000000 0.76037839515812 10.811 > 1 4 B 0.50000000000000 0.50000000000000 0.76037839515812 10.811 > 1 5 B 0.16666666666667 0.33333333333333 0.90628827150855 10.811 > 5 6 B 0.66666666666667 0.33333333333333 0.90628827150855 10.811 > 5 7 B 0.16666666666667 0.83333333333333 0.90628827150855 10.811 > 5 8 B 0.66666666666667 0.83333333333333 0.90628827150855 10.811 > 5 9 B 0.33333333333333 0.16666666666667 0.09371172849145 10.811 > 1 10 B 0.83333333333333 0.16666666666667 0.09371172849145 10.811 > 1 11 B 0.33333333333333 0.66666666666667 0.09371172849145 10.811 > 1 12 B 0.83333333333333 0.66666666666667 0.09371172849145 10.811 > 1 13 B 0.00000000000000 0.00000000000000 0.23962160484188 10.811 > 5 14 B 0.50000000000000 0.00000000000000 0.23962160484188 10.811 > 5 15 B 0.00000000000000 0.50000000000000 0.23962160484188 10.811 > 5 16 B 0.50000000000000 0.50000000000000 0.23962160484188 10.811 > 5 17 B 0.16666666666667 0.33333333333333 0.42704506182479 10.811 > 1 18 B 0.66666666666667 0.33333333333333 0.42704506182479 10.811 > 1 19 B 0.16666666666667 0.83333333333333 0.42704506182479 10.811 > 1 20 B 0.66666666666667 0.83333333333333 0.42704506182479 10.811 > 1 21 B 0.33333333333333 0.16666666666667 0.57295493817522 10.811 > 5 22 B 0.83333333333333 0.16666666666667 0.57295493817522 10.811 > 5 23 B 0.33333333333333 0.66666666666667 0.57295493817522 10.811 > 5 24 B 0.83333333333333 0.66666666666667 0.57295493817522 10.811 > 5 25 O 0.14776170267197 0.13486723732355 0.75769509919799 15.999 > 25 26 O 0.64776170267197 0.13486723732355 0.75769509919799 15.999 > 25 27 O 0.14776170267197 0.63486723732355 0.75769509919799 15.999 > 25 28 O 0.64776170267197 0.63486723732355 0.75769509919799 15.999 > 25 29 O 0.36513276267645 0.01289446534842 0.75769509919799 15.999 > 29 30 O 0.86513276267645 0.01289446534842 0.75769509919799 15.999 > 29 31 O 0.36513276267645 0.51289446534842 0.75769509919799 15.999 > 29 32 O 0.86513276267645 0.51289446534842 0.75769509919799 15.999 > 29 33 O 0.17956113201509 0.48109503600531 0.90897156746868 15.999 > 33 34 O 0.67956113201509 0.48109503600531 0.90897156746868 15.999 > 33 35 O 0.17956113201509 0.98109503600531 0.90897156746868 15.999 > 33 36 O 0.67956113201509 0.98109503600531 0.90897156746868 15.999 > 33 37 O 0.01890496399469 0.19846609600978 0.90897156746868 15.999 > 37 38 O 0.51890496399469 0.19846609600978 0.90897156746868 15.999 > 37 39 O 0.01890496399469 0.69846609600978 0.90897156746868 15.999 > 37 40 O 0.51890496399469 0.69846609600978 0.90897156746868 15.999 > 37 41 O 0.30153390399022 0.32043886798491 0.90897156746868 15.999 > 41 42 O 0.80153390399022 0.32043886798491 0.90897156746868 15.999 > 41 43 O 0.30153390399022 0.82043886798491 0.90897156746868 15.999 > 41 44 O 0.80153390399022 0.82043886798491 0.90897156746868 15.999 > 41 45 O 0.48710553465158 0.35223829732803 0.75769509919799 15.999 > 45 46 O 0.98710553465158 0.35223829732803 0.75769509919799 15.999 > 45 47 O 0.48710553465158 0.85223829732803 0.75769509919799 15.999 > 45 48 O 0.98710553465158 0.85223829732803 0.75769509919799 15.999 > 45 49 O 0.48109503600531 0.30153390399022 0.09102843253132 15.999 > 25 50 O 0.98109503600531 0.30153390399022 0.09102843253132 15.999 > 25 51 O 0.48109503600531 0.80153390399022 0.09102843253132 15.999 > 25 52 O 0.98109503600531 0.80153390399022 0.09102843253132 15.999 > 25 53 O 0.19846609600978 0.17956113201509 0.09102843253132 15.999 > 29 54 O 0.69846609600978 0.17956113201509 0.09102843253132 15.999 > 29 55 O 0.19846609600978 0.67956113201509 0.09102843253132 15.999 > 29 56 O 0.69846609600978 0.67956113201509 0.09102843253132 15.999 > 29 57 O 0.01289446534842 0.14776170267197 0.24230490080201 15.999 > 33 58 O 0.51289446534842 0.14776170267197 0.24230490080201 15.999 > 33 59 O 0.01289446534842 0.64776170267197 0.24230490080201 15.999 > 33 60 O 0.51289446534842 0.64776170267197 0.24230490080201 15.999 > 33 61 O 0.35223829732803 0.36513276267645 0.24230490080201 15.999 > 37 62 O 0.85223829732803 0.36513276267645 0.24230490080201 15.999 > 37 63 O 0.35223829732803 0.86513276267645 0.24230490080201 15.999 > 37 64 O 0.85223829732803 0.86513276267645 0.24230490080201 15.999 > 37 65 O 0.13486723732355 0.48710553465158 0.24230490080201 15.999 > 41 66 O 0.63486723732355 0.48710553465158 0.24230490080201 15.999 > 41 67 O 0.13486723732355 0.98710553465158 0.24230490080201 15.999 > 41 68 O 0.63486723732355 0.98710553465158 0.24230490080201 15.999 > 41 69 O 0.32043886798491 0.01890496399469 0.09102843253132 15.999 > 45 70 O 0.82043886798491 0.01890496399469 0.09102843253132 15.999 > 45 71 O 0.32043886798491 0.51890496399469 0.09102843253132 15.999 > 45 72 O 0.82043886798491 0.51890496399469 0.09102843253132 15.999 > 45 73 O 0.31442836933864 0.46820057065688 0.42436176586465 15.999 > 25 74 O 0.81442836933864 0.46820057065688 0.42436176586465 15.999 > 25 75 O 0.31442836933864 0.96820057065688 0.42436176586465 15.999 > 25 76 O 0.81442836933864 0.96820057065688 0.42436176586465 15.999 > 25 77 O 0.03179942934312 0.34622779868176 0.42436176586465 15.999 > 29 78 O 0.53179942934312 0.34622779868176 0.42436176586465 15.999 > 29 79 O 0.03179942934312 0.84622779868176 0.42436176586465 15.999 > 29 80 O 0.53179942934312 0.84622779868176 0.42436176586465 15.999 > 29 81 O 0.34622779868176 0.31442836933864 0.57563823413534 15.999 > 33 82 O 0.84622779868176 0.31442836933864 0.57563823413534 15.999 > 33 83 O 0.34622779868176 0.81442836933864 0.57563823413534 15.999 > 33 84 O 0.84622779868176 0.81442836933864 0.57563823413534 15.999 > 33 85 O 0.18557163066136 0.03179942934312 0.57563823413534 15.999 > 37 86 O 0.68557163066136 0.03179942934312 0.57563823413534 15.999 > 37 87 O 0.18557163066136 0.53179942934312 0.57563823413534 15.999 > 37 88 O 0.68557163066136 0.53179942934312 0.57563823413534 15.999 > 37 89 O 0.46820057065688 0.15377220131824 0.57563823413534 15.999 > 41 90 O 0.96820057065688 0.15377220131824 0.57563823413534 15.999 > 41 91 O 0.46820057065688 0.65377220131824 0.57563823413534 15.999 > 41 92 O 0.96820057065688 0.65377220131824 0.57563823413534 15.999 > 41 93 O 0.15377220131824 0.18557163066136 0.42436176586465 15.999 > 45 94 O 0.65377220131824 0.18557163066136 0.42436176586465 15.999 > 45 95 O 0.15377220131824 0.68557163066136 0.42436176586465 15.999 > 45 96 O 0.65377220131824 0.68557163066136 0.42436176586465 15.999 > 45 97 Ca 0.00000000000000 0.00000000000000 0.00000000000000 40.078 > 97 98 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 97 99 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 > 97 100 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 97 101 Ca 0.33333333333333 0.16666666666667 0.33333333333333 40.078 > 97 102 Ca 0.83333333333333 0.16666666666667 0.33333333333333 40.078 > 97 103 Ca 0.33333333333333 0.66666666666667 0.33333333333333 40.078 > 97 104 Ca 0.83333333333333 0.66666666666667 0.33333333333333 40.078 > 97 105 Ca 0.16666666666667 0.33333333333333 0.66666666666667 40.078 > 97 106 Ca 0.66666666666667 0.33333333333333 0.66666666666667 40.078 > 97 107 Ca 0.16666666666667 0.83333333333333 0.66666666666667 40.078 > 97 108 Ca 0.66666666666667 0.83333333333333 0.66666666666667 40.078 > 97 109 Sn 0.33333333333333 0.16666666666667 0.83333333333333 118.710 > 109 110 Sn 0.83333333333333 0.16666666666667 0.83333333333333 118.710 > 109 111 Sn 0.33333333333333 0.66666666666667 0.83333333333333 118.710 > 109 112 Sn 0.83333333333333 0.66666666666667 0.83333333333333 118.710 > 109 113 Sn 0.16666666666667 0.33333333333333 0.16666666666667 118.710 > 109 114 Sn 0.66666666666667 0.33333333333333 0.16666666666667 118.710 > 109 115 Sn 0.16666666666667 0.83333333333333 0.16666666666667 118.710 > 109 116 Sn 0.66666666666667 0.83333333333333 0.16666666666667 118.710 > 109 117 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 109 118 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 109 119 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 109 120 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5074115 -0.0000003 0.0000000 0.0000003 3.5074115 0.0000000 0.0000000 0.0000000 2.9855669 -------------------------- Born effective charges -------------------------- 1 B 2.8833712 0.3583654 -0.0000000 -0.3583654 2.8833712 -0.0000000 -0.0000000 -0.0000000 0.6630868 2 B 2.8833712 0.3583654 -0.0000000 -0.3583654 2.8833712 -0.0000000 -0.0000000 -0.0000000 0.6630868 3 O -1.9775443 -0.6213406 -0.3108296 -0.4740062 -2.2000450 0.0828125 -0.2700404 0.0898096 -1.2932030 4 O -2.6187189 0.1038239 0.0836971 0.2511583 -1.5588704 -0.3105926 0.0572429 -0.2787666 -1.2932030 5 O -1.6701207 0.2965151 0.2271325 0.4438495 -2.5074685 0.2277801 0.2127976 0.1889571 -1.2932030 6 O -1.9775443 -0.6213406 -0.3108296 -0.4740062 -2.2000450 0.0828125 -0.2700404 0.0898096 -1.2932030 7 O -2.6187189 0.1038239 0.0836971 0.2511583 -1.5588704 -0.3105926 0.0572429 -0.2787666 -1.2932030 8 O -1.6701207 0.2965151 0.2271325 0.4438495 -2.5074685 0.2277801 0.2127976 0.1889571 -1.2932030 9 Ca 2.4455488 0.0223715 -0.0000000 -0.0223715 2.4455488 -0.0000000 -0.0000000 -0.0000000 2.8652597 10 Sn 4.3204765 -0.2970992 -0.0000000 0.2970992 4.3204765 -0.0000000 -0.0000000 -0.0000000 3.5677845 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000012 (xxx) 0.00000012 (xxx) 0.00000012 (xxx) Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) --------------------------- 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 ... [ 12 12 12 ] 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: 0.87, Number of G-points: 309, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/294) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 294 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 4.911 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.289 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.448 ( 0.000 0.000 0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.676 ( 0.000 0.000 0.000) 0.000 12.964 ( 0.000 0.000 0.000) 0.000 18.616 ( 0.000 0.000 0.000) 0.000 18.616 ( 0.000 0.000 0.000) 0.000 19.015 ( 0.000 0.000 0.000) 0.000 19.015 ( 0.000 0.000 0.000) 0.000 20.646 ( 0.000 0.000 0.000) 0.000 21.196 ( 0.000 0.000 0.000) 0.000 27.862 ( 0.000 0.000 0.000) 0.000 27.959 ( 0.000 0.000 0.000) 0.000 36.645 ( 0.000 0.000 0.000) 0.000 36.645 ( 0.000 0.000 0.000) 0.000 36.738 ( 0.000 0.000 0.000) 0.000 36.738 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/294) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 20.178 16.918 8.828) 27.773 0.846 ( 45.093 9.330 -4.357) 46.254 1.603 ( 61.266 42.487 15.344) 76.119 4.842 ( -4.097 -1.002 -5.443) 6.886 5.313 ( 1.089 6.986 -21.939) 23.050 5.713 ( -7.159 -14.128 38.241) 41.391 6.325 ( 0.989 7.283 -6.557) 9.850 6.499 ( 17.364 1.607 0.927) 17.463 6.900 ( -2.234 2.730 3.711) 5.120 7.541 ( -0.491 0.722 4.933) 5.010 8.011 ( 2.911 2.239 -0.466) 3.702 8.320 ( -11.336 -5.962 0.157) 12.810 10.835 ( -3.225 -5.074 3.381) 6.898 11.187 ( 4.241 -5.094 -7.773) 10.215 11.307 ( 3.640 9.161 3.496) 10.459 11.668 ( 2.839 3.603 -7.070) 8.428 12.913 ( -5.334 -2.904 -2.245) 6.475 13.046 ( -9.586 -5.669 -5.810) 12.561 18.568 ( -3.191 -3.512 0.117) 4.747 18.641 ( 0.561 3.429 0.078) 3.475 19.017 ( 0.171 -0.679 0.319) 0.770 19.240 ( -0.027 -0.840 -9.311) 9.349 20.744 ( -6.648 -3.643 31.368) 32.271 21.190 ( -0.807 -0.478 1.267) 1.577 27.874 ( 1.075 0.699 -0.698) 1.460 27.943 ( -1.480 -1.022 0.600) 1.896 36.586 ( -2.763 -2.251 3.417) 4.938 36.728 ( 3.962 9.355 -0.167) 10.160 36.887 ( 12.964 1.297 -0.760) 13.051 40.810 ( 14.794 8.425 -81.094) 82.862 ======================= Grid point 2 (3/294) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 21.587 18.476 9.500) 29.960 1.674 ( 42.910 10.092 -3.868) 44.250 3.018 ( 50.378 34.203 6.206) 61.207 4.788 ( 3.156 2.388 -4.022) 5.642 5.268 ( -6.275 7.322 -6.331) 11.535 5.684 ( 0.193 -11.370 20.919) 23.810 6.334 ( -4.043 4.661 -9.513) 11.339 6.746 ( 16.094 -11.043 -0.639) 19.528 7.016 ( 3.426 16.396 1.314) 16.801 7.602 ( 3.298 1.289 5.921) 6.899 7.942 ( -18.672 -5.194 -1.614) 19.448 8.153 ( 4.479 -0.007 6.705) 8.063 10.752 ( -4.002 -2.815 4.095) 6.381 11.171 ( 7.395 -8.347 -11.215) 15.816 11.436 ( -6.715 8.751 9.166) 14.342 11.743 ( 6.148 2.366 -0.998) 6.663 12.600 ( -14.433 -8.416 -12.870) 21.089 12.878 ( -5.011 -3.196 -0.719) 5.986 18.455 ( -4.724 -5.331 0.588) 7.147 18.680 ( -1.530 5.076 -0.521) 5.328 19.000 ( -0.874 -2.041 -0.116) 2.223 19.171 ( -1.268 -2.720 -4.029) 5.024 20.765 ( -1.998 -0.858 13.444) 13.619 21.171 ( -1.606 -0.992 1.967) 2.726 27.893 ( -0.494 0.588 -2.022) 2.163 27.913 ( 0.329 -0.804 1.162) 1.450 36.562 ( -0.075 -1.346 2.917) 3.214 36.939 ( 5.347 16.260 -1.022) 17.147 37.171 ( 18.959 -0.882 3.240) 19.254 40.688 ( 2.794 1.725 -42.335) 42.462 ======================= Grid point 3 (4/294) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 21.803 18.357 10.595) 30.407 2.462 ( 39.093 10.723 -3.272) 40.669 3.957 ( 30.817 15.593 -6.349) 35.117 5.008 ( 8.238 7.276 1.262) 11.063 5.191 ( -4.670 14.035 -5.435) 15.759 5.725 ( 4.602 -6.448 17.876) 19.552 6.185 ( -5.394 -5.882 -7.075) 10.665 6.917 ( 11.824 -0.462 -2.499) 12.094 7.205 ( 2.409 4.552 -4.031) 6.540 7.526 ( -20.547 -4.050 7.276) 22.170 7.726 ( 5.367 1.497 2.697) 6.190 8.316 ( 6.030 2.175 9.771) 11.686 10.681 ( -6.072 1.700 2.063) 6.634 11.095 ( -3.314 -13.325 -7.628) 15.708 11.327 ( -8.079 0.918 5.193) 9.648 11.913 ( 8.469 4.447 -1.205) 9.641 12.307 ( -4.914 -2.804 -8.951) 10.589 12.755 ( -5.151 -2.884 -1.155) 6.016 18.321 ( -4.800 -5.426 0.969) 7.309 18.658 ( -5.570 3.169 -1.331) 6.545 18.942 ( -2.235 -3.106 -1.563) 4.133 19.127 ( 0.666 -1.674 -1.075) 2.098 20.798 ( 0.035 0.304 7.008) 7.015 21.135 ( -2.285 -1.431 1.934) 3.319 27.863 ( -0.937 -0.715 -0.349) 1.229 27.938 ( 1.321 0.857 -0.979) 1.854 36.580 ( 1.426 -0.472 2.025) 2.522 37.193 ( 5.150 17.376 -1.602) 18.193 37.536 ( 21.233 -1.544 7.114) 22.446 40.509 ( -2.266 -0.493 -29.258) 29.350 ======================= Grid point 4 (5/294) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 19.554 15.805 11.098) 27.483 3.175 ( 33.317 10.567 -2.661) 35.054 4.490 ( 27.722 3.271 -4.442) 28.266 4.861 ( -16.331 3.482 -1.810) 16.796 5.466 ( 8.983 18.127 -12.038) 23.541 5.786 ( -5.130 -8.239 2.447) 10.010 6.155 ( 10.026 1.069 9.760) 14.033 6.906 ( -18.552 -6.906 -1.463) 19.850 7.153 ( 10.979 -4.244 0.420) 11.779 7.405 ( -8.900 7.796 7.736) 14.136 7.828 ( 5.912 -0.971 -2.391) 6.451 8.439 ( 0.751 -0.894 8.015) 8.100 10.559 ( -12.285 3.891 -0.521) 12.897 10.840 ( -2.157 -9.998 1.339) 10.316 11.333 ( 5.111 -1.789 -1.814) 5.711 12.037 ( 2.098 3.039 -5.026) 6.237 12.245 ( 0.033 0.358 0.464) 0.587 12.647 ( -3.653 -1.523 -1.518) 4.239 18.204 ( -3.695 -4.194 0.919) 5.664 18.551 ( -7.086 -0.177 -1.288) 7.204 18.862 ( -1.961 -2.872 -2.323) 4.183 19.140 ( 1.251 0.365 0.188) 1.316 20.844 ( 1.239 0.919 3.709) 4.017 21.086 ( -2.691 -1.656 1.378) 3.447 27.852 ( 0.417 -0.493 0.258) 0.695 27.955 ( 0.306 0.891 -1.615) 1.870 36.615 ( 1.722 0.021 1.209) 2.104 37.423 ( 4.192 13.677 -1.344) 14.368 37.911 ( 18.529 -1.196 8.679) 20.496 40.310 ( -4.412 -0.889 -21.030) 21.506 ======================= Grid point 5 (6/294) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 13.112 10.136 8.504) 18.627 3.755 ( 23.086 8.531 -1.117) 24.637 4.498 ( -10.207 -5.989 -5.542) 13.068 5.147 ( 30.417 10.758 4.736) 32.609 5.531 ( -11.180 -7.742 -1.575) 13.690 5.726 ( 9.580 17.751 -12.275) 23.613 6.307 ( -4.736 -1.574 3.778) 6.260 6.478 ( -18.209 -13.351 4.662) 23.055 7.279 ( -3.766 -3.085 12.241) 13.174 7.336 ( 0.665 6.820 -8.474) 10.897 7.876 ( 3.643 -3.491 -2.465) 5.615 8.422 ( -2.579 -1.507 3.179) 4.362 10.445 ( -3.618 1.531 2.230) 4.518 10.836 ( 3.906 -0.589 2.104) 4.476 11.397 ( 4.405 -1.237 -1.489) 4.812 12.006 ( -2.470 -0.222 -5.224) 5.783 12.265 ( -0.503 0.909 2.520) 2.725 12.591 ( -1.354 -0.139 -0.979) 1.676 18.130 ( -1.662 -2.175 0.597) 2.802 18.428 ( -5.055 -1.256 -0.891) 5.284 18.805 ( -0.850 -1.641 -1.510) 2.386 19.165 ( 0.653 0.814 0.269) 1.078 20.896 ( 1.904 1.208 1.727) 2.840 21.028 ( -2.656 -1.593 0.578) 3.150 27.867 ( 1.266 -0.292 0.747) 1.499 27.949 ( -0.717 0.619 -1.608) 1.866 36.645 ( 1.104 0.126 0.556) 1.242 37.580 ( 2.374 7.411 -0.712) 7.815 38.203 ( 11.183 -0.719 6.467) 12.938 40.143 ( -3.689 -0.481 -12.034) 12.596 ======================= Grid point 6 (7/294) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.342 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 -0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.946 ( -0.000 0.000 -0.000) 0.000 6.089 ( -0.000 -0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 7.232 ( 0.000 -0.000 0.000) 0.000 7.390 ( 0.000 0.000 -0.000) 0.000 7.877 ( 0.000 -0.000 0.000) 0.000 8.400 ( -0.000 0.000 0.000) 0.000 10.438 ( 0.000 0.000 0.000) 0.000 10.893 ( 0.000 0.000 0.000) 0.000 11.426 ( 0.000 0.000 0.000) 0.000 11.958 ( 0.000 0.000 0.000) 0.000 12.269 ( 0.000 0.000 0.000) 0.000 12.578 ( 0.000 0.000 0.000) 0.000 18.108 ( 0.000 0.000 0.000) 0.000 18.371 ( 0.000 0.000 0.000) 0.000 18.786 ( 0.000 0.000 0.000) 0.000 19.176 ( 0.000 0.000 0.000) 0.000 20.936 ( 0.000 0.000 0.000) 0.000 20.985 ( 0.000 0.000 0.000) 0.000 27.883 ( 0.000 0.000 -0.000) 0.000 27.937 ( 0.000 0.000 0.000) 0.000 36.657 ( 0.000 0.000 0.000) 0.000 37.636 ( 0.000 0.000 0.000) 0.000 38.317 ( 0.000 0.000 0.000) 0.000 40.073 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 14 (8/294) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( -9.323 25.130 25.220) 36.803 1.002 ( -15.492 41.470 15.567) 46.926 1.569 ( 14.627 70.269 13.249) 72.988 4.926 ( 5.546 -0.988 4.532) 7.231 5.119 ( 0.595 6.215 -25.235) 25.996 5.805 ( -6.925 -23.140 22.287) 32.865 6.462 ( -2.189 6.823 12.917) 14.772 6.547 ( -2.987 16.895 6.746) 18.436 6.850 ( 5.414 -3.655 -1.767) 6.767 7.460 ( 1.912 -3.827 -4.414) 6.147 7.993 ( 0.716 2.255 -2.842) 3.698 8.321 ( 1.507 -13.467 -0.072) 13.552 10.791 ( -7.145 -5.753 -2.471) 9.500 11.199 ( -2.797 2.190 -4.600) 5.812 11.326 ( 0.732 5.913 5.193) 7.903 11.554 ( 6.282 9.697 -16.388) 20.051 12.919 ( 0.212 -4.060 -0.814) 4.146 13.161 ( -0.126 -5.479 4.180) 6.893 18.566 ( 2.819 -4.606 -0.432) 5.418 18.624 ( -1.027 1.524 -1.360) 2.286 19.014 ( -1.001 -0.167 -0.024) 1.015 19.176 ( -0.968 2.068 -11.126) 11.358 20.948 ( 0.207 -23.614 43.354) 49.369 21.201 ( -0.025 -1.566 3.711) 4.028 27.868 ( 0.122 0.924 -1.071) 1.420 27.948 ( -0.268 -1.711 0.974) 1.987 36.529 ( 3.771 -3.546 -3.777) 6.407 36.710 ( 0.781 7.472 -2.116) 7.805 36.924 ( -4.121 10.589 3.436) 11.870 40.307 ( -0.237 60.651 -116.784) 131.595 ======================= Grid point 15 (9/294) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 11.229 21.208 21.411) 32.161 1.396 ( 7.864 43.050 -1.058) 43.775 2.778 ( 34.374 51.872 13.944) 63.771 4.850 ( -7.374 4.594 -0.779) 8.723 5.241 ( 11.450 2.215 -12.259) 16.920 5.644 ( -0.232 -15.314 16.987) 22.872 6.446 ( -7.280 -3.676 -6.312) 10.313 6.578 ( -2.777 14.174 5.417) 15.426 7.085 ( 8.163 12.397 1.992) 14.976 7.491 ( 7.062 -8.384 1.653) 11.086 8.054 ( 4.396 0.373 -3.604) 5.696 8.138 ( -5.629 -11.644 4.595) 13.725 10.649 ( 1.021 -8.136 -3.446) 8.895 11.105 ( -4.837 1.511 -6.312) 8.094 11.514 ( 9.760 6.986 2.759) 12.316 11.708 ( 4.567 5.544 -2.256) 7.529 12.769 ( -16.571 -7.793 -1.861) 18.406 12.942 ( -10.159 -5.130 1.821) 11.526 18.547 ( -6.932 0.644 -0.496) 6.980 18.638 ( 7.845 -3.617 0.791) 8.675 18.990 ( -1.146 -1.089 -1.020) 1.881 19.111 ( -0.665 -3.349 -7.630) 8.359 20.888 ( -4.778 -8.480 21.318) 23.435 21.193 ( -1.041 -1.977 3.634) 4.266 27.880 ( 0.901 0.734 -2.058) 2.364 27.922 ( -1.200 -1.032 1.052) 1.900 36.640 ( 2.083 1.698 2.008) 3.355 36.785 ( 10.757 3.038 0.657) 11.197 37.069 ( 4.578 14.157 -2.323) 15.059 40.386 ( 8.289 23.005 -63.872) 68.392 ======================= Grid point 16 (10/294) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 17.762 21.181 14.697) 31.307 2.036 ( 23.283 31.215 -2.246) 39.006 3.677 ( 20.311 23.757 -1.773) 31.306 4.985 ( 9.604 18.592 4.250) 21.353 5.334 ( 0.862 5.183 -6.816) 8.606 5.660 ( 5.898 -8.137 16.654) 19.452 6.182 ( -8.568 -9.807 -10.794) 16.914 6.745 ( 6.355 5.768 5.269) 10.071 7.244 ( -2.949 8.794 -9.531) 13.300 7.548 ( 6.787 -3.906 1.254) 7.931 7.884 ( -9.643 -5.603 9.177) 14.443 8.241 ( 9.327 -0.332 6.821) 11.560 10.611 ( 5.593 -9.933 -0.342) 11.405 11.017 ( -3.266 1.989 -8.917) 9.702 11.714 ( -14.630 7.250 8.448) 18.384 11.786 ( 10.864 5.042 -0.960) 12.016 12.299 ( -14.130 -11.307 -5.696) 18.972 12.798 ( -4.535 -4.334 -0.655) 6.307 18.418 ( -8.198 0.062 1.126) 8.275 18.718 ( 1.935 -1.412 1.048) 2.614 18.934 ( -2.243 -3.038 -1.872) 4.215 19.030 ( 2.286 -5.722 -6.146) 8.703 20.858 ( -2.279 -2.583 10.780) 11.317 21.165 ( -1.797 -2.393 3.017) 4.249 27.868 ( -0.762 -0.977 -1.027) 1.609 27.926 ( 0.800 1.518 -0.481) 1.782 36.655 ( -4.081 6.847 2.532) 8.363 37.129 ( 22.755 -0.384 4.835) 23.266 37.289 ( 5.890 14.202 -3.596) 15.790 40.352 ( 2.003 8.151 -39.507) 40.389 ======================= Grid point 17 (11/294) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 17.313 20.001 13.117) 29.527 2.730 ( 27.774 22.166 -4.775) 35.854 4.078 ( 19.477 3.757 -4.791) 20.406 5.159 ( -13.400 5.586 -2.193) 14.682 5.439 ( 7.867 13.319 -8.165) 17.492 5.816 ( -1.975 -2.076 1.253) 3.127 6.044 ( 12.089 3.144 9.836) 15.899 6.881 ( 4.729 -14.463 1.058) 15.253 7.128 ( -6.323 8.635 -2.782) 11.058 7.617 ( -1.391 5.798 -4.200) 7.293 7.801 ( -3.206 -1.048 10.338) 10.874 8.407 ( 5.960 -3.586 8.487) 10.973 10.633 ( 6.447 -7.307 1.991) 9.946 10.887 ( -11.027 2.114 -9.792) 14.897 11.403 ( -17.928 -1.603 7.843) 19.634 11.978 ( 4.862 4.021 -5.451) 8.338 12.181 ( 5.976 -3.459 1.600) 7.088 12.681 ( -3.855 -3.094 -1.473) 5.158 18.291 ( -7.484 0.259 1.984) 7.747 18.653 ( -6.275 -2.544 -0.451) 6.786 18.846 ( -2.165 -3.481 -3.072) 5.123 19.043 ( 6.857 -4.427 -3.075) 8.722 20.865 ( -0.377 -0.347 5.630) 5.654 21.118 ( -2.345 -2.545 2.118) 4.057 27.848 ( -0.234 -0.265 -0.110) 0.370 27.951 ( 0.602 1.646 -1.429) 2.261 36.676 ( -3.178 7.335 2.178) 8.285 37.481 ( 4.116 11.990 -0.062) 12.677 37.566 ( 23.537 -0.620 3.511) 23.805 40.233 ( -1.223 2.506 -26.598) 26.743 ======================= Grid point 18 (12/294) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 12.305 16.780 11.635) 23.840 3.331 ( 25.840 13.030 -10.718) 30.860 4.427 ( 17.996 -5.626 2.260) 18.990 4.921 ( -6.383 1.443 -6.227) 9.033 5.633 ( 4.619 6.662 -4.100) 9.084 5.731 ( -1.553 10.113 -5.764) 11.744 6.388 ( 3.796 8.480 8.844) 12.827 6.590 ( -11.474 -21.113 2.879) 24.201 7.269 ( 4.860 9.642 2.896) 11.179 7.529 ( -10.978 2.020 -3.047) 11.571 7.811 ( 0.122 0.142 2.719) 2.726 8.436 ( -0.204 -5.761 5.136) 7.721 10.619 ( -11.896 2.606 -0.373) 12.184 10.735 ( 6.486 -2.812 2.663) 7.554 11.294 ( 1.778 -2.868 1.242) 3.595 11.989 ( -0.016 -0.955 -5.994) 6.070 12.286 ( 2.723 1.442 3.933) 4.997 12.599 ( -1.908 -2.027 -1.174) 3.021 18.197 ( -5.479 1.352 2.273) 6.084 18.501 ( -6.568 -3.077 -1.388) 7.385 18.776 ( -0.326 -2.857 -2.613) 3.886 19.103 ( 5.245 -3.187 -1.720) 6.373 20.893 ( 0.850 0.605 2.775) 2.965 21.059 ( -2.616 -2.371 1.167) 3.719 27.856 ( 0.725 0.607 0.591) 1.115 27.959 ( -0.418 1.190 -1.664) 2.087 36.708 ( -3.002 7.313 1.769) 8.101 37.617 ( 1.403 6.812 -0.977) 7.023 37.959 ( 19.301 -0.301 3.867) 19.687 40.106 ( -1.444 0.094 -16.272) 16.337 ======================= Grid point 19 (13/294) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( -0.949 9.975 4.711) 11.072 3.711 ( 18.141 -0.645 -18.115) 25.645 4.451 ( -3.538 -0.183 6.296) 7.224 5.070 ( 19.212 -10.386 -1.638) 21.901 5.765 ( 3.727 22.472 -0.753) 22.792 5.948 ( 10.778 9.604 -0.973) 14.468 6.176 ( -14.326 -18.755 5.908) 24.329 6.317 ( -18.984 0.146 -0.816) 19.002 7.321 ( -9.144 -2.292 3.422) 10.028 7.422 ( 0.125 7.553 -1.595) 7.721 7.849 ( 3.144 2.532 -0.488) 4.066 8.398 ( -0.592 -3.886 3.137) 5.029 10.501 ( -5.626 2.600 0.419) 6.212 10.852 ( 4.950 -1.316 3.000) 5.936 11.336 ( 5.974 -3.892 -1.261) 7.241 11.946 ( -0.041 -0.766 -2.308) 2.432 12.313 ( -2.541 1.273 2.209) 3.599 12.561 ( 0.232 -2.245 -0.225) 2.268 18.160 ( -3.046 3.352 2.322) 5.090 18.383 ( -2.913 -1.916 -1.260) 3.707 18.755 ( 1.696 -1.685 -1.448) 2.795 19.132 ( 2.895 -3.288 -1.481) 4.624 20.930 ( 1.173 0.747 0.917) 1.665 20.998 ( -2.153 -1.760 0.406) 2.810 27.886 ( 0.882 1.358 0.960) 1.882 27.945 ( -1.074 0.320 -1.220) 1.657 36.731 ( -3.686 7.195 1.406) 8.206 37.648 ( -1.384 -0.086 -0.162) 1.396 38.226 ( 10.138 0.392 -1.340) 10.234 40.042 ( 1.485 -0.793 -4.842) 5.127 ======================= Grid point 20 (14/294) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( -16.230 0.388 -5.341) 17.090 3.744 ( 4.019 -9.772 -17.576) 20.508 4.516 ( 1.503 3.023 11.379) 11.869 5.201 ( 5.647 -8.769 -3.021) 10.858 5.750 ( -18.616 6.345 -9.368) 21.785 5.825 ( -14.965 -16.032 18.724) 28.837 6.206 ( 16.238 7.935 -2.541) 18.251 6.297 ( 6.470 11.986 2.794) 13.904 7.208 ( -2.160 0.313 -4.046) 4.597 7.422 ( -4.974 1.314 3.555) 6.254 7.961 ( 2.482 7.529 -0.395) 7.937 8.369 ( 0.664 -3.647 0.876) 3.809 10.440 ( -3.847 1.992 -3.115) 5.335 10.865 ( -1.125 -2.072 0.135) 2.362 11.395 ( 5.070 -3.123 -0.232) 5.960 11.971 ( 2.911 -0.668 2.997) 4.231 12.273 ( -3.095 0.449 -0.186) 3.133 12.558 ( 1.835 -2.150 0.826) 2.945 18.175 ( -1.672 5.300 1.895) 5.872 18.367 ( 2.671 -0.188 -0.170) 2.683 18.781 ( 2.962 -0.473 -0.134) 3.003 19.125 ( 1.571 -3.818 -1.869) 4.532 20.914 ( -2.349 -1.283 -0.784) 2.790 20.997 ( 2.032 0.789 0.107) 2.183 27.896 ( -1.719 1.021 -0.562) 2.077 27.940 ( 0.866 0.191 1.123) 1.430 36.736 ( -4.838 7.219 1.063) 8.755 37.567 ( -4.064 -7.213 0.862) 8.324 38.281 ( -1.522 0.680 -8.037) 8.208 40.106 ( 6.184 -0.329 6.482) 8.965 ======================= Grid point 21 (15/294) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -24.156 -4.205 -9.068) 26.142 3.480 ( -14.158 -10.985 -10.340) 20.689 4.619 ( 3.505 -7.823 1.076) 8.640 4.927 ( -18.144 0.868 5.363) 18.940 5.545 ( -9.843 -13.765 13.834) 21.857 5.798 ( 4.397 11.733 1.894) 12.672 6.303 ( -12.017 2.036 -2.632) 12.469 6.568 ( 22.224 2.477 -7.765) 23.672 7.221 ( 3.374 -1.559 -3.287) 4.962 7.352 ( -6.774 3.428 3.581) 8.394 7.990 ( -7.339 4.761 1.247) 8.837 8.375 ( 3.388 -2.681 -4.155) 5.994 10.405 ( 1.992 0.796 -3.409) 4.028 10.864 ( 2.083 4.473 -1.179) 5.073 11.438 ( 0.576 0.983 2.751) 2.978 12.016 ( 2.214 -5.644 5.603) 8.255 12.223 ( -1.589 -1.061 -2.245) 2.948 12.599 ( 3.779 -0.216 1.522) 4.080 18.234 ( 0.458 7.290 1.551) 7.467 18.443 ( 5.464 -0.661 0.948) 5.585 18.842 ( 3.707 0.537 0.860) 3.843 19.101 ( 1.621 -3.519 -2.633) 4.684 20.852 ( -2.527 -1.169 -1.790) 3.310 21.047 ( 2.643 0.978 -0.612) 2.884 27.869 ( -1.335 0.049 -0.245) 1.358 27.963 ( 0.064 0.650 1.269) 1.427 36.720 ( -5.966 7.575 0.631) 9.663 37.384 ( -6.040 -13.209 2.000) 14.661 38.121 ( -11.070 0.309 -11.071) 15.660 40.297 ( 8.883 1.098 13.465) 16.168 ======================= Grid point 22 (16/294) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -27.920 -3.726 -8.743) 29.493 2.966 ( -28.865 -8.798 -5.061) 30.597 4.313 ( -18.229 -14.699 1.694) 23.478 4.981 ( 3.568 8.456 7.503) 11.855 5.274 ( -18.396 -13.099 13.980) 26.560 5.794 ( -8.934 3.349 -13.214) 16.298 6.194 ( 1.381 4.738 0.134) 4.937 6.943 ( 20.606 1.442 -3.836) 21.009 7.126 ( -4.698 -10.518 -3.075) 11.923 7.367 ( -0.138 10.294 2.763) 10.659 7.860 ( -10.433 -0.211 1.461) 10.537 8.314 ( -2.812 -4.492 -7.383) 9.088 10.493 ( 8.218 -1.164 -2.024) 8.543 11.034 ( 9.429 10.431 -4.875) 14.882 11.475 ( -4.888 9.159 7.100) 12.577 11.970 ( -2.346 -9.348 4.605) 10.682 12.208 ( 5.600 -3.972 0.608) 6.892 12.694 ( 5.299 1.572 1.222) 5.661 18.348 ( 2.007 9.483 1.482) 9.806 18.523 ( 5.589 -4.631 1.851) 7.491 18.920 ( 3.738 0.964 0.669) 3.918 19.095 ( 2.727 -1.719 -3.046) 4.435 20.789 ( -2.304 -0.834 -2.870) 3.774 21.097 ( 2.561 0.765 -0.987) 2.849 27.857 ( 0.141 -0.247 0.351) 0.452 27.963 ( -1.274 0.607 0.598) 1.532 36.692 ( -6.561 8.285 -0.021) 10.568 37.136 ( -6.872 -16.507 3.265) 18.176 37.823 ( -16.583 -0.169 -10.150) 19.443 40.547 ( 8.819 2.235 15.958) 18.369 ======================= Grid point 23 (17/294) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -29.610 1.772 -7.238) 30.533 2.289 ( -37.231 -7.987 -4.868) 38.388 3.679 ( -46.314 -12.808 4.785) 48.290 4.899 ( -11.992 -7.209 6.639) 15.487 5.146 ( 4.294 3.701 6.986) 8.997 5.674 ( -1.806 3.987 -16.110) 16.694 6.302 ( 4.770 2.754 3.113) 6.327 6.886 ( -4.830 -15.160 -4.765) 16.609 7.144 ( -6.186 13.533 3.440) 15.272 7.552 ( 1.837 -2.445 -5.138) 5.979 7.724 ( 7.566 -0.014 6.743) 10.135 8.178 ( -3.695 -2.824 -4.701) 6.612 10.604 ( 7.717 -0.678 -4.026) 8.730 11.223 ( 7.038 2.193 -8.220) 11.041 11.501 ( -10.229 12.822 6.620) 17.687 11.820 ( -5.730 -8.974 3.753) 11.289 12.418 ( 18.877 0.035 5.886) 19.774 12.811 ( 5.884 1.555 0.340) 6.095 18.491 ( 1.767 10.625 1.644) 10.896 18.553 ( 4.547 -8.583 1.746) 9.868 18.983 ( 2.569 0.284 -0.453) 2.624 19.134 ( 4.318 0.077 -2.245) 4.867 20.728 ( -2.062 -0.457 -3.498) 4.086 21.138 ( 2.137 0.409 -0.833) 2.330 27.873 ( 1.555 -0.418 0.882) 1.836 27.940 ( -2.043 0.603 -0.442) 2.175 36.663 ( -5.981 7.716 -0.752) 9.791 36.883 ( -6.437 -13.918 4.605) 16.011 37.471 ( -18.208 -0.635 -7.394) 19.662 40.791 ( 7.515 2.119 14.334) 16.323 ======================= Grid point 24 (18/294) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -29.554 10.588 -5.062) 31.799 1.491 ( -42.072 -7.447 -10.228) 43.933 2.605 ( -69.417 0.052 7.803) 69.854 4.823 ( 2.030 -2.290 3.062) 4.329 5.310 ( 5.202 3.903 14.861) 16.222 5.572 ( -1.160 -1.586 -19.070) 19.171 6.419 ( -1.943 8.459 5.047) 10.040 6.635 ( -3.362 -14.114 -8.799) 16.969 7.028 ( -18.737 7.400 4.645) 20.674 7.477 ( 2.359 -0.915 0.509) 2.581 8.033 ( 6.536 0.553 5.958) 8.862 8.120 ( 8.571 -1.839 -2.242) 9.048 10.712 ( 7.120 1.770 -4.498) 8.606 11.227 ( 0.159 -3.043 -8.309) 8.850 11.444 ( -10.759 6.166 5.065) 13.394 11.696 ( -2.096 -4.557 5.208) 7.231 12.780 ( 16.042 0.023 0.346) 16.046 12.932 ( 8.167 0.148 -0.808) 8.208 18.543 ( 3.744 -7.834 0.834) 8.723 18.617 ( 0.179 8.259 1.903) 8.478 19.007 ( 1.081 -0.419 -1.060) 1.571 19.207 ( 4.708 0.026 -1.956) 5.098 20.679 ( -1.869 0.001 0.356) 1.903 21.169 ( 1.523 0.000 -0.049) 1.524 27.895 ( -0.704 -0.414 1.418) 1.637 27.917 ( 0.886 0.419 -1.561) 1.843 36.608 ( -2.389 -4.990 1.963) 5.870 36.750 ( -6.027 6.486 3.246) 9.430 37.129 ( -16.400 -1.655 -4.818) 17.173 40.968 ( 5.977 0.117 -0.166) 5.980 ======================= Grid point 26 (19/294) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -1.712 27.706 23.988) 36.687 1.685 ( -12.401 39.684 13.870) 43.829 2.563 ( -38.687 50.363 3.620) 63.610 4.758 ( 4.500 0.817 -5.697) 7.305 5.137 ( -2.895 -2.861 -4.949) 6.408 5.821 ( -5.917 -10.590 7.037) 14.025 6.418 ( 17.843 9.386 6.599) 21.214 6.775 ( -11.418 -4.196 8.764) 14.993 6.966 ( -2.556 22.860 -2.523) 23.140 7.462 ( -10.195 -6.940 -1.753) 12.457 7.928 ( 4.653 -10.598 -7.199) 13.630 8.156 ( -0.297 -5.937 2.298) 6.373 10.784 ( 2.303 -7.194 4.406) 8.745 11.282 ( -4.584 3.744 -3.629) 6.942 11.423 ( 2.421 11.119 3.925) 12.038 11.555 ( -9.945 -1.490 -10.675) 14.666 12.758 ( 14.865 -7.665 -2.507) 16.912 12.965 ( 10.701 -3.967 2.963) 11.791 18.526 ( -4.729 -7.804 -1.242) 9.210 18.586 ( 6.169 2.585 -1.775) 6.920 19.022 ( 0.304 -0.901 0.783) 1.232 19.157 ( -0.908 -1.204 -6.167) 6.349 20.882 ( 4.928 -8.649 21.214) 23.433 21.195 ( 0.991 -1.892 3.792) 4.352 27.867 ( -0.264 -0.401 -1.900) 1.960 27.939 ( 0.547 0.155 1.099) 1.237 36.577 ( -12.326 -3.745 -2.188) 13.067 36.699 ( 5.059 8.072 -2.788) 9.926 37.207 ( -10.411 14.360 4.983) 18.424 40.390 ( -7.999 23.006 -63.848) 68.336 ======================= Grid point 27 (20/294) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -8.003 24.279 24.422) 35.355 1.935 ( -13.243 37.513 12.268) 41.630 2.990 ( 12.537 60.626 7.388) 62.348 4.918 ( 14.399 0.353 -11.696) 18.553 5.018 ( -5.688 1.128 0.319) 5.807 5.613 ( -4.595 -10.134 5.120) 12.248 6.544 ( -12.130 -9.493 2.212) 15.561 6.938 ( 16.385 11.024 10.913) 22.563 6.983 ( -12.098 16.127 3.713) 20.500 7.344 ( 2.939 2.963 -8.141) 9.149 7.859 ( 6.964 -14.289 -8.184) 17.879 8.092 ( -0.572 -5.702 2.822) 6.387 10.680 ( -8.574 -3.173 -1.198) 9.220 11.167 ( -5.421 -1.124 -4.673) 7.245 11.435 ( 4.761 1.970 2.622) 5.781 11.663 ( 5.729 10.232 -1.939) 11.886 12.791 ( 1.020 -7.456 -1.610) 7.695 13.069 ( -1.664 -9.220 6.000) 11.126 18.439 ( 5.051 -7.187 -0.690) 8.812 18.644 ( -1.446 2.335 -2.299) 3.581 19.007 ( -1.262 -0.695 0.307) 1.473 19.068 ( -2.483 -3.818 -5.964) 7.504 20.932 ( 0.279 -9.722 17.161) 19.726 21.201 ( -0.131 -3.101 4.664) 5.602 27.856 ( 0.707 -0.793 -1.910) 2.186 27.943 ( -0.914 0.612 0.819) 1.371 36.462 ( 4.641 0.269 -2.876) 5.466 36.882 ( 2.646 12.579 -3.815) 13.409 37.183 ( -6.638 11.894 3.087) 13.967 40.280 ( -0.255 26.696 -54.356) 60.558 ======================= Grid point 28 (21/294) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 1.850 21.882 24.162) 32.650 2.245 ( 0.670 38.895 2.865) 39.006 3.719 ( 6.975 31.776 -1.268) 32.557 5.011 ( 11.668 13.289 -8.645) 19.684 5.197 ( 11.062 3.102 3.263) 11.943 5.569 ( 3.908 -4.117 9.216) 10.824 6.204 ( -13.406 -10.971 -7.700) 18.957 6.879 ( -8.571 3.340 3.585) 9.873 7.355 ( -0.196 0.979 -0.552) 1.141 7.398 ( 8.801 15.088 3.333) 17.782 7.832 ( 8.077 -12.079 -1.477) 14.606 8.099 ( 5.688 -2.621 2.544) 6.760 10.520 ( -4.283 -3.078 -0.667) 5.317 11.063 ( -3.601 -1.605 -1.466) 4.206 11.641 ( 11.527 5.829 -0.277) 12.920 11.828 ( 4.761 6.094 0.860) 7.781 12.583 ( -20.216 -10.413 0.793) 22.754 12.840 ( -8.876 -7.155 1.803) 11.542 18.523 ( 8.932 -4.727 -1.198) 10.177 18.585 ( -3.891 0.346 0.820) 3.991 18.938 ( -2.917 -5.753 -6.258) 8.987 18.964 ( -2.968 -1.682 -0.607) 3.465 20.913 ( -1.604 -5.267 10.833) 12.152 21.179 ( -1.124 -3.537 3.824) 5.329 27.851 ( 0.690 -0.902 -1.734) 2.073 27.941 ( -0.645 1.582 0.250) 1.727 36.657 ( 15.174 0.369 0.252) 15.180 36.967 ( -2.994 13.573 -1.021) 13.936 37.309 ( 5.180 11.539 -0.932) 12.683 40.251 ( -0.441 15.762 -38.976) 42.045 ======================= Grid point 29 (22/294) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 12.244 18.299 16.446) 27.482 2.715 ( 10.630 31.703 3.612) 33.632 3.905 ( 2.997 8.518 -7.798) 11.931 5.318 ( 7.801 1.348 -7.837) 11.140 5.382 ( 2.032 10.488 -0.881) 10.719 5.816 ( -5.215 -2.169 -4.570) 7.265 5.899 ( 15.614 8.706 6.754) 19.111 6.745 ( -3.733 -13.407 1.841) 14.038 7.335 ( -6.180 10.992 2.556) 12.867 7.631 ( 2.508 10.200 -3.369) 11.031 7.850 ( 2.549 -5.922 5.946) 8.771 8.245 ( 11.137 -4.928 4.818) 13.097 10.480 ( 3.086 -3.848 1.958) 5.307 10.983 ( -4.241 0.078 -2.260) 4.806 11.806 ( -7.528 1.736 0.925) 7.781 11.981 ( -3.650 8.573 1.084) 9.381 12.047 ( -7.133 -11.251 2.278) 13.515 12.698 ( -3.250 -4.549 -1.387) 5.760 18.455 ( -8.274 1.982 0.752) 8.541 18.659 ( 4.022 -5.677 2.394) 7.358 18.822 ( 4.195 -6.253 -8.119) 11.074 18.873 ( -4.371 -2.507 -0.992) 5.136 20.898 ( -0.972 -2.031 6.271) 6.663 21.135 ( -1.743 -3.521 2.625) 4.725 27.846 ( 0.251 -0.065 -0.918) 0.954 27.955 ( 0.234 1.816 -0.641) 1.940 36.833 ( -0.435 7.080 1.999) 7.370 37.193 ( 18.363 6.384 -0.391) 19.445 37.507 ( 5.436 9.366 -0.592) 10.846 40.166 ( -2.321 7.478 -27.423) 28.519 ======================= Grid point 30 (23/294) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 16.272 12.448 9.304) 22.501 3.226 ( 11.336 26.637 1.797) 29.005 4.057 ( 14.487 -1.199 -2.177) 14.698 5.121 ( -17.276 -3.791 -4.927) 18.360 5.543 ( 8.918 6.298 -6.085) 12.499 5.757 ( 5.501 5.224 -8.381) 11.304 6.377 ( 10.774 6.911 -0.775) 12.823 6.532 ( -3.139 -12.822 7.546) 15.205 7.398 ( -3.136 10.968 7.731) 13.781 7.655 ( -5.471 6.339 -9.100) 12.366 7.870 ( -0.360 -1.124 8.144) 8.229 8.354 ( 5.135 -7.372 4.079) 9.866 10.558 ( 7.839 -3.580 4.075) 9.532 10.868 ( -9.486 1.874 -2.601) 10.013 11.408 ( -18.784 -5.197 6.550) 20.561 11.945 ( 0.964 0.466 -4.676) 4.797 12.228 ( 8.130 2.790 3.221) 9.179 12.608 ( -2.287 -2.750 -1.290) 3.803 18.343 ( -7.443 1.800 2.129) 7.948 18.560 ( -5.300 -4.939 -1.927) 7.496 18.767 ( -3.590 -1.578 -1.978) 4.392 18.905 ( 10.805 -5.799 -2.980) 12.620 20.904 ( 0.033 -0.297 3.361) 3.374 21.080 ( -2.124 -3.126 1.525) 4.075 27.855 ( 0.656 1.000 -0.056) 1.198 27.969 ( -0.084 1.454 -1.145) 1.853 36.879 ( -4.221 9.977 1.900) 10.998 37.583 ( 16.811 4.780 -7.013) 18.832 37.671 ( 8.061 3.437 7.089) 11.272 40.053 ( -2.179 2.381 -18.049) 18.335 ======================= Grid point 31 (24/294) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.090 ( 12.684 5.662 0.395) 13.896 3.549 ( -0.079 19.254 -5.061) 19.908 4.326 ( 18.302 -8.832 4.979) 20.923 4.845 ( -5.197 -0.099 -2.221) 5.652 5.749 ( 11.640 3.908 -3.988) 12.910 5.924 ( 4.508 15.499 -6.829) 17.527 6.209 ( -4.732 -18.617 6.163) 20.173 6.578 ( -7.296 5.782 -3.953) 10.114 7.454 ( -5.709 -4.211 9.382) 11.762 7.546 ( -6.094 12.775 -7.082) 15.827 7.877 ( -2.931 1.863 4.591) 5.757 8.356 ( 2.310 -5.631 2.881) 6.733 10.638 ( -2.432 -1.655 2.833) 4.084 10.768 ( 1.081 2.988 1.665) 3.588 11.230 ( -1.488 -5.648 2.382) 6.308 11.931 ( -0.218 0.460 -2.656) 2.704 12.349 ( 2.176 1.266 1.521) 2.941 12.545 ( -1.691 -2.622 -0.074) 3.121 18.275 ( -4.261 2.881 2.758) 5.837 18.418 ( -4.834 -3.046 -2.026) 6.062 18.710 ( -0.195 -1.178 -1.799) 2.159 18.994 ( 7.147 -5.132 -2.151) 9.057 20.926 ( 0.768 0.484 1.491) 1.746 21.019 ( -2.267 -2.485 0.707) 3.437 27.887 ( 1.282 1.741 0.617) 2.248 27.964 ( -1.139 0.756 -1.142) 1.781 36.913 ( -4.978 10.731 1.806) 11.967 37.665 ( -0.534 -0.454 -1.568) 1.718 37.993 ( 16.447 2.223 -0.325) 16.600 39.975 ( 0.810 -0.543 -8.551) 8.606 ======================= Grid point 32 (25/294) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -4.556 -0.272 -9.390) 10.440 3.587 ( -5.447 8.169 -9.235) 13.479 4.481 ( 7.777 -7.171 7.959) 13.238 4.969 ( 13.014 2.668 1.050) 13.326 5.810 ( -3.174 -15.352 -3.481) 16.059 5.964 ( 3.377 -4.575 0.372) 5.698 6.186 ( -9.270 12.256 -4.075) 15.898 6.462 ( -1.080 12.558 7.587) 14.712 7.295 ( -8.897 -1.654 0.645) 9.073 7.555 ( -5.201 4.960 1.837) 7.418 7.929 ( 5.602 4.104 0.449) 6.960 8.350 ( -0.563 -3.359 2.163) 4.034 10.562 ( -7.187 4.558 -1.773) 8.693 10.840 ( 2.181 -1.678 1.491) 3.129 11.212 ( 6.437 -7.932 -0.074) 10.215 11.944 ( 1.533 1.081 0.875) 2.069 12.352 ( -3.472 1.013 0.574) 3.662 12.506 ( 0.960 -3.527 0.925) 3.771 18.277 ( -2.270 3.579 3.064) 5.230 18.340 ( -0.281 -0.032 -0.964) 1.005 18.714 ( 2.581 -0.798 -1.289) 2.993 19.025 ( 3.745 -4.793 -2.417) 6.545 20.937 ( -1.413 -0.570 -0.172) 1.533 20.979 ( 0.418 -0.497 0.597) 0.882 27.933 ( 0.323 2.195 0.566) 2.290 27.935 ( -0.948 -0.233 -0.386) 1.050 36.937 ( -6.013 11.158 1.722) 12.792 37.582 ( -4.767 -6.714 1.348) 8.344 38.199 ( 6.951 1.722 -7.355) 10.266 40.005 ( 6.468 -1.187 1.025) 6.655 ======================= Grid point 33 (26/294) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -19.761 0.259 -9.640) 21.989 3.470 ( -6.557 0.708 -11.357) 13.133 4.523 ( 1.442 -10.294 1.962) 10.578 5.147 ( -1.928 2.872 6.474) 7.340 5.592 ( -3.349 -10.399 0.580) 10.941 5.864 ( -0.147 -0.585 5.684) 5.716 6.245 ( 8.658 4.180 -10.129) 13.966 6.601 ( -12.311 8.396 10.313) 18.121 7.192 ( -0.719 1.992 -1.862) 2.820 7.510 ( -5.654 3.076 4.398) 7.796 8.102 ( 5.459 6.001 -1.542) 8.258 8.275 ( -2.491 -5.561 -0.631) 6.126 10.456 ( -6.884 4.352 -5.564) 9.863 10.861 ( 1.738 2.482 0.238) 3.040 11.287 ( 11.236 -8.719 1.013) 14.259 11.983 ( 0.346 -0.907 3.040) 3.192 12.276 ( -5.355 -0.125 -0.331) 5.367 12.531 ( 4.076 -1.459 1.457) 4.568 18.287 ( 0.897 0.383 2.120) 2.333 18.398 ( 2.006 4.965 1.410) 5.538 18.762 ( 4.479 -0.929 -0.650) 4.620 19.015 ( 2.169 -3.508 -3.379) 5.332 20.883 ( -2.854 -0.957 -0.674) 3.085 21.011 ( 2.206 0.462 -0.007) 2.254 27.893 ( -1.978 -0.678 -0.165) 2.098 27.976 ( 0.622 1.839 0.743) 2.079 36.942 ( -7.208 11.066 1.365) 13.276 37.396 ( -7.798 -10.986 3.764) 13.988 38.185 ( -3.406 0.067 -11.353) 11.853 40.178 ( 11.344 0.144 6.704) 13.178 ======================= Grid point 34 (27/294) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( -26.926 3.369 -7.101) 28.050 3.237 ( -16.144 -0.952 -8.418) 18.232 4.328 ( -6.343 -13.310 -4.272) 15.351 5.166 ( -3.855 7.673 11.210) 14.121 5.457 ( -5.241 -7.596 8.160) 12.319 5.982 ( -5.102 3.645 6.143) 8.778 6.280 ( -9.815 -1.052 -8.825) 13.241 6.512 ( 15.136 1.889 -5.219) 16.121 7.179 ( -5.021 -0.964 0.926) 5.196 7.492 ( -3.039 4.349 5.852) 7.899 8.064 ( -10.746 1.791 -0.506) 10.906 8.239 ( 2.680 -5.349 -4.465) 7.465 10.420 ( 0.649 4.716 -3.464) 5.887 10.982 ( 5.932 8.993 -3.190) 11.236 11.438 ( 15.481 -8.758 4.493) 18.345 11.942 ( -5.093 -2.996 4.643) 7.515 12.179 ( -3.971 -0.554 -2.925) 4.963 12.618 ( 5.405 0.405 1.137) 5.539 18.342 ( 4.836 -3.277 3.027) 6.580 18.487 ( 0.743 6.683 1.742) 6.946 18.836 ( 5.461 -1.179 -0.520) 5.611 19.011 ( 2.535 -0.685 -4.347) 5.078 20.821 ( -3.041 -0.484 -0.724) 3.163 21.055 ( 2.514 0.309 -0.302) 2.551 27.859 ( -0.945 -0.949 0.361) 1.387 27.994 ( -0.703 1.385 0.111) 1.557 36.913 ( -7.665 6.665 0.105) 10.158 37.167 ( -9.755 -7.955 6.686) 14.253 37.992 ( -10.693 -1.556 -10.968) 15.397 40.433 ( 12.646 1.293 6.446) 14.253 ======================= Grid point 35 (28/294) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -29.133 7.823 -4.080) 30.440 2.776 ( -30.967 -1.911 -7.362) 31.888 4.086 ( -11.059 -4.872 -2.438) 12.328 5.241 ( -12.723 -1.698 7.469) 14.850 5.266 ( -12.041 3.752 18.406) 22.313 5.712 ( -13.504 0.175 -9.291) 16.392 6.212 ( 5.495 0.148 -7.401) 9.219 6.790 ( 6.610 -1.057 -9.367) 11.513 7.136 ( 8.582 0.845 7.906) 11.699 7.552 ( 1.175 3.425 7.101) 7.971 7.826 ( -15.603 -3.665 -2.322) 16.195 8.183 ( -1.570 -2.049 -0.358) 2.606 10.501 ( 4.232 5.047 -2.954) 7.218 11.139 ( 4.331 6.936 -6.699) 10.571 11.638 ( 14.311 -19.276 7.077) 25.029 11.833 ( -10.546 5.653 5.724) 13.264 12.163 ( 7.146 3.523 -5.685) 9.788 12.720 ( 5.635 0.186 -0.036) 5.638 18.386 ( 5.092 -8.726 2.916) 10.515 18.590 ( 1.354 8.645 2.111) 9.001 18.909 ( 4.776 -1.314 -1.079) 5.069 19.046 ( 3.587 1.483 -4.220) 5.734 20.765 ( -2.965 0.011 0.235) 2.974 21.098 ( 2.461 0.001 -0.112) 2.464 27.850 ( 0.637 -0.832 0.662) 1.240 27.980 ( -1.936 0.823 -0.717) 2.223 36.779 ( -6.726 -8.145 1.144) 10.625 37.039 ( -10.377 9.919 7.020) 15.980 37.698 ( -14.906 -2.538 -8.307) 17.253 40.672 ( 11.184 0.580 0.478) 11.209 ======================= Grid point 36 (29/294) ======================= q-point: (-0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -29.755 7.439 -0.227) 30.671 2.128 ( -38.704 6.700 -9.293) 40.364 3.682 ( -40.411 8.818 1.663) 41.395 4.898 ( -14.762 0.953 5.842) 15.904 5.379 ( 1.054 4.077 13.667) 14.301 5.507 ( -3.410 -4.690 -8.778) 10.520 6.339 ( 12.133 -1.175 -8.833) 15.054 6.685 ( -9.487 4.318 1.258) 10.499 7.374 ( -6.921 -6.965 -6.541) 11.798 7.498 ( -4.744 13.351 4.554) 14.883 7.730 ( 15.711 -9.805 10.123) 21.106 8.152 ( -3.438 1.712 4.257) 5.734 10.627 ( 5.447 5.964 -1.798) 8.275 11.173 ( 0.105 1.806 -10.188) 10.348 11.570 ( 1.214 -20.933 9.642) 23.079 11.766 ( -7.876 7.782 2.857) 11.435 12.423 ( 18.040 1.990 -9.278) 20.383 12.810 ( 5.673 -1.193 -1.037) 5.889 18.394 ( 4.952 -7.608 1.792) 9.253 18.696 ( 0.721 4.576 1.817) 4.976 18.959 ( 3.121 -0.598 -1.462) 3.498 19.112 ( 4.377 1.361 -3.240) 5.614 20.731 ( -2.054 0.359 4.048) 4.553 21.137 ( 2.160 -0.378 0.654) 2.288 27.870 ( 1.935 -0.567 0.668) 2.124 27.942 ( -2.437 0.430 -1.312) 2.801 36.608 ( -4.045 -7.446 3.316) 9.100 37.040 ( -9.629 16.386 6.003) 19.931 37.363 ( -16.450 -2.670 -5.422) 17.526 40.797 ( 7.055 -1.757 -14.178) 15.933 ======================= Grid point 38 (30/294) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -7.707 25.924 21.115) 34.311 2.377 ( -18.240 35.251 5.983) 40.138 3.589 ( -32.911 28.285 -5.754) 43.776 4.819 ( -11.157 5.068 -3.330) 12.698 5.080 ( 2.758 -5.734 -1.635) 6.570 5.860 ( -3.797 -4.260 4.707) 7.397 6.265 ( 8.836 3.914 1.221) 9.741 6.925 ( -1.158 4.780 -0.373) 4.932 7.164 ( -2.864 9.788 5.263) 11.476 7.597 ( 8.755 -15.382 -5.614) 18.568 7.650 ( -10.099 0.987 3.856) 10.855 8.240 ( -8.802 -1.069 3.203) 9.427 10.664 ( 4.857 -7.299 3.341) 9.383 11.329 ( 0.597 -0.841 2.331) 2.549 11.440 ( 13.512 12.489 1.825) 18.490 11.712 ( -15.307 -3.494 -9.233) 18.214 12.359 ( 14.397 -6.159 -1.914) 15.775 12.807 ( 5.930 -4.136 -0.096) 7.230 18.465 ( 7.819 0.572 -1.826) 8.050 18.529 ( -4.015 -7.204 -1.161) 8.329 18.985 ( 2.728 -1.612 -0.160) 3.173 19.126 ( -0.253 -1.706 -2.613) 3.131 20.849 ( 2.115 -2.768 10.575) 11.134 21.169 ( 1.865 -2.243 3.259) 4.374 27.851 ( -0.322 -1.288 -1.718) 2.172 27.947 ( 0.457 1.867 0.358) 1.955 36.671 ( 4.254 8.120 -0.184) 9.168 36.820 ( -18.487 -3.654 -2.760) 19.046 37.584 ( -11.489 16.596 6.938) 21.344 40.340 ( -1.162 7.449 -40.100) 40.802 ======================= Grid point 39 (31/294) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -5.362 24.831 19.817) 32.218 2.560 ( -11.294 30.605 16.398) 36.512 3.522 ( -7.687 43.560 -4.412) 44.452 4.772 ( -0.249 6.927 -5.150) 8.636 5.044 ( 0.119 -3.267 -3.052) 4.473 5.646 ( -8.128 -6.240 -3.806) 10.931 6.498 ( 8.432 -4.783 2.932) 10.128 6.978 ( -4.417 9.168 17.119) 19.915 7.262 ( 0.559 -0.268 -9.033) 9.055 7.416 ( -2.050 -0.430 -3.767) 4.310 7.579 ( -3.068 1.108 1.134) 3.454 8.106 ( -4.763 -2.771 0.774) 5.564 10.712 ( 2.453 -3.322 2.496) 4.825 11.281 ( -13.904 -3.055 -7.122) 15.918 11.396 ( 1.440 -3.060 3.102) 4.589 11.713 ( 2.995 12.486 0.733) 12.861 12.580 ( 13.862 -8.387 -1.122) 16.241 12.904 ( 9.951 -6.234 4.240) 12.484 18.340 ( -2.611 -8.978 -1.416) 9.457 18.619 ( 5.129 2.900 -2.601) 6.440 18.996 ( 0.766 -3.320 0.756) 3.490 19.058 ( -2.679 -2.466 -4.185) 5.547 20.905 ( 1.951 -5.104 10.761) 12.069 21.184 ( 0.910 -3.530 4.091) 5.480 27.827 ( 0.184 -1.253 -1.633) 2.066 27.970 ( -0.355 1.800 0.287) 1.857 36.515 ( -10.737 0.216 -2.218) 10.966 36.876 ( 7.599 12.339 -3.965) 15.024 37.530 ( -14.541 12.986 4.753) 20.067 40.250 ( 1.154 15.571 -39.504) 42.478 ======================= Grid point 40 (32/294) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -6.510 21.056 22.135) 31.236 2.685 ( -10.079 26.934 5.832) 29.343 3.966 ( 3.703 31.090 -3.847) 31.546 4.782 ( 6.669 0.802 -11.099) 12.974 5.149 ( 9.167 9.216 3.743) 13.527 5.542 ( 0.955 2.461 -0.598) 2.706 6.353 ( -14.969 -6.669 -1.643) 16.469 6.929 ( -3.711 -13.830 -4.164) 14.913 7.364 ( 6.172 14.610 16.067) 22.577 7.461 ( 10.338 -15.155 -2.453) 18.508 7.651 ( -3.695 24.260 -1.133) 24.566 8.030 ( -0.372 -3.631 -0.152) 3.653 10.624 ( -8.609 -2.828 -0.371) 9.070 11.073 ( -1.821 -5.539 2.113) 6.202 11.526 ( 8.367 5.899 0.604) 10.256 11.844 ( 1.098 7.799 0.613) 7.900 12.605 ( 1.533 -8.564 -3.037) 9.215 12.923 ( -3.833 -11.118 4.711) 12.668 18.288 ( 6.777 -6.904 -0.470) 9.686 18.663 ( -1.194 1.642 -2.092) 2.916 18.905 ( -3.631 -6.626 -4.656) 8.875 19.000 ( -1.931 -0.437 0.176) 1.988 20.923 ( 0.175 -4.522 8.331) 9.481 21.171 ( -0.218 -4.305 3.746) 5.710 27.818 ( 0.920 -0.730 -1.425) 1.846 27.974 ( -1.072 1.700 0.010) 2.010 36.472 ( 4.905 2.778 -1.547) 5.845 37.103 ( 5.310 13.685 -4.660) 15.401 37.449 ( -9.688 11.527 3.204) 15.394 40.230 ( 0.003 13.947 -32.332) 35.211 ======================= Grid point 41 (33/294) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -1.326 18.219 20.597) 27.530 2.867 ( 3.060 17.689 2.161) 18.082 4.041 ( -7.906 14.287 -10.031) 19.164 5.020 ( 19.090 1.290 -7.984) 20.732 5.358 ( 5.367 1.784 0.069) 5.656 5.776 ( 7.590 7.905 -3.402) 11.475 6.030 ( -11.543 11.534 0.380) 16.322 6.685 ( -4.649 -17.502 0.644) 18.120 7.481 ( 3.965 -4.941 2.610) 6.852 7.679 ( 7.283 6.097 11.454) 14.880 7.797 ( -3.786 19.023 -6.052) 20.318 8.056 ( 7.278 -2.959 3.686) 8.678 10.475 ( -3.925 -3.673 2.355) 5.869 11.035 ( -2.018 -1.864 4.168) 4.992 11.765 ( 9.954 7.591 -1.414) 12.598 11.930 ( 2.813 2.267 2.154) 4.206 12.381 ( -18.710 -9.830 -0.598) 21.144 12.703 ( -5.941 -7.370 -0.010) 9.466 18.407 ( 12.917 -5.408 0.121) 14.004 18.605 ( -5.119 -0.702 0.547) 5.196 18.740 ( -4.327 -5.681 -6.986) 9.990 18.944 ( -4.415 -0.640 0.362) 4.476 20.919 ( -0.539 -2.544 5.522) 6.104 21.134 ( -1.000 -4.266 2.692) 5.143 27.828 ( 1.148 0.225 -1.098) 1.604 27.973 ( -0.655 1.536 -0.325) 1.702 36.677 ( 15.096 1.622 -0.505) 15.191 37.243 ( -2.330 15.331 -3.046) 15.803 37.505 ( 2.601 8.215 1.906) 8.825 40.168 ( -3.222 8.954 -24.464) 26.249 ======================= Grid point 42 (34/294) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 4.593 11.408 12.374) 17.446 3.193 ( 17.523 9.700 6.678) 21.113 4.043 ( -5.146 16.317 -6.045) 18.146 5.238 ( 5.975 -1.871 -4.864) 7.929 5.445 ( 1.524 0.732 -3.460) 3.851 5.588 ( 1.494 -1.983 -10.926) 11.205 6.285 ( 0.806 3.830 -7.562) 8.515 6.529 ( 2.853 1.008 8.706) 9.217 7.519 ( 2.687 -4.612 6.446) 8.369 7.823 ( -6.123 13.019 -4.598) 15.104 7.866 ( 3.195 5.797 4.728) 8.134 8.201 ( 6.635 -2.620 5.196) 8.826 10.451 ( 3.146 -4.071 4.686) 6.959 10.992 ( -4.832 0.877 3.345) 5.942 11.776 ( -22.703 -9.328 5.003) 25.050 11.932 ( -0.223 2.076 -1.772) 2.738 12.135 ( 6.063 5.190 -0.553) 8.000 12.597 ( -1.062 -3.786 -1.959) 4.393 18.464 ( -5.197 -4.376 1.469) 6.951 18.586 ( -3.277 -1.149 -1.108) 3.645 18.617 ( 11.525 -5.737 -5.174) 13.874 18.847 ( -6.100 0.195 0.009) 6.103 20.918 ( -0.242 -0.830 3.245) 3.358 21.085 ( -1.436 -3.661 1.605) 4.247 27.849 ( 1.067 1.125 -0.532) 1.639 27.979 ( -0.070 1.222 -0.655) 1.389 36.930 ( 10.364 1.716 0.324) 10.510 37.384 ( 5.874 14.099 -5.328) 16.176 37.651 ( 4.437 3.858 4.968) 7.698 40.053 ( -4.607 4.273 -17.220) 18.331 ======================= Grid point 43 (35/294) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( 9.075 5.378 3.758) 11.198 3.670 ( 18.510 10.274 7.519) 22.466 4.081 ( -2.523 9.084 -1.344) 9.523 5.045 ( -15.332 0.363 -0.057) 15.337 5.535 ( 11.201 -0.834 -6.424) 12.939 5.821 ( 20.717 5.263 -6.136) 22.238 6.094 ( -5.854 -11.703 -3.809) 13.629 6.667 ( -1.249 6.464 -6.117) 8.987 7.520 ( -0.507 -8.044 9.064) 12.130 7.786 ( -9.380 13.734 -4.242) 17.164 8.002 ( -1.998 7.033 7.255) 10.300 8.241 ( 3.753 -6.386 1.190) 7.502 10.533 ( 7.428 -3.871 5.007) 9.758 10.922 ( -7.408 3.807 1.888) 8.540 11.351 ( -16.579 -6.363 5.071) 18.468 11.943 ( -0.817 2.470 -1.487) 2.997 12.286 ( 5.954 1.392 -0.816) 6.169 12.547 ( -0.851 -2.482 -0.784) 2.739 18.348 ( -2.699 -4.184 1.026) 5.084 18.471 ( -5.744 -0.078 -3.310) 6.630 18.727 ( 0.966 -2.910 -0.208) 3.074 18.801 ( 5.149 -0.415 -0.905) 5.244 20.928 ( 0.290 0.183 1.629) 1.665 21.032 ( -1.734 -2.791 0.787) 3.379 27.882 ( 1.409 1.613 0.053) 2.143 27.982 ( -0.524 0.730 -0.753) 1.172 37.061 ( 1.345 5.990 0.986) 6.218 37.585 ( 7.280 2.910 -9.135) 12.039 37.818 ( 8.198 4.915 8.303) 12.662 39.938 ( -2.647 0.527 -10.163) 10.515 ======================= Grid point 44 (36/294) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( 2.982 2.693 -6.746) 7.852 3.912 ( -10.530 15.451 4.223) 19.169 4.210 ( 14.480 -5.128 1.232) 15.411 4.920 ( -0.917 5.406 4.224) 6.922 5.610 ( 5.038 -11.652 -4.869) 13.596 5.917 ( -1.525 -6.406 0.124) 6.586 6.272 ( 19.908 13.793 -1.554) 24.269 6.525 ( -7.443 -3.341 -9.671) 12.652 7.452 ( -6.451 -2.242 7.399) 10.069 7.725 ( -8.982 6.757 -2.241) 11.461 7.958 ( -5.796 0.988 4.735) 7.549 8.304 ( 4.754 -1.148 0.785) 4.953 10.659 ( 4.792 1.489 3.476) 6.104 10.846 ( -5.939 4.267 -1.226) 7.415 11.124 ( -5.686 -7.717 2.779) 9.980 11.951 ( -0.126 2.231 0.284) 2.253 12.359 ( 3.050 -0.026 -1.287) 3.311 12.492 ( -2.350 -3.491 0.834) 4.291 18.312 ( 0.453 -2.119 0.928) 2.357 18.370 ( -3.458 0.334 -0.931) 3.597 18.699 ( -1.056 0.924 -0.472) 1.480 18.890 ( 5.729 -2.416 -1.406) 6.374 20.945 ( 0.356 0.566 0.409) 0.784 20.981 ( -1.565 -1.869 0.450) 2.479 27.927 ( 1.679 1.586 0.373) 2.339 27.965 ( -1.485 0.142 -0.526) 1.582 37.128 ( -2.418 8.362 0.986) 8.760 37.581 ( -0.933 -6.077 -1.113) 6.248 38.059 ( 8.510 5.842 -1.480) 10.428 39.897 ( 3.261 -1.443 -2.987) 4.652 ======================= Grid point 45 (37/294) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -6.766 2.715 -9.562) 12.024 3.777 ( -20.133 13.718 -0.724) 24.374 4.348 ( 7.847 -8.887 0.066) 11.856 5.144 ( 11.617 7.360 8.279) 16.052 5.457 ( -0.320 -14.594 -7.700) 16.504 5.841 ( -2.036 -6.767 2.843) 7.617 6.262 ( -6.352 0.257 -3.299) 7.163 6.803 ( 12.913 10.112 7.031) 17.845 7.289 ( -12.207 1.426 -2.010) 12.453 7.639 ( -3.889 1.289 3.457) 5.360 7.977 ( 4.815 -0.199 0.666) 4.865 8.316 ( -2.414 -0.673 -1.348) 2.846 10.640 ( -10.992 6.418 -5.332) 13.800 10.859 ( 2.495 3.420 0.806) 4.309 11.035 ( 5.132 -10.016 1.977) 11.427 11.987 ( 1.159 1.621 1.232) 2.343 12.364 ( -3.993 0.052 -0.325) 4.006 12.448 ( 3.396 -3.427 1.663) 5.103 18.274 ( -1.162 -2.516 0.819) 2.890 18.405 ( 3.945 1.915 1.181) 4.541 18.708 ( 1.068 0.967 -0.377) 1.489 18.933 ( 2.764 -0.648 -2.477) 3.768 20.920 ( -2.547 -0.520 -0.210) 2.608 20.982 ( 1.566 0.033 0.262) 1.588 27.922 ( -2.242 -0.623 -0.044) 2.327 27.978 ( 1.501 1.400 0.218) 2.064 37.140 ( -5.011 4.883 -0.171) 6.999 37.469 ( -5.638 -4.928 5.351) 9.204 38.155 ( 0.573 2.537 -8.144) 8.550 40.004 ( 10.557 -0.788 1.895) 10.755 ======================= Grid point 46 (38/294) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -17.075 4.188 -5.443) 18.404 3.569 ( -19.540 14.920 -2.604) 24.722 4.273 ( -2.888 -10.443 -4.289) 11.653 5.257 ( 0.209 -6.168 1.210) 6.289 5.447 ( 4.033 -0.961 6.453) 7.670 5.908 ( 15.358 0.802 4.550) 16.037 6.181 ( -1.911 -2.962 -3.714) 5.121 6.765 ( -21.321 0.215 3.855) 21.668 7.252 ( 0.377 3.809 -0.418) 3.850 7.622 ( -4.329 3.188 4.855) 7.243 8.059 ( 6.633 -6.428 -4.563) 10.302 8.228 ( -5.399 1.679 -0.946) 5.733 10.508 ( -6.079 6.390 -4.369) 9.843 10.932 ( 5.927 -0.366 -2.755) 6.546 11.109 ( 8.668 -4.793 2.832) 10.301 12.020 ( -0.201 2.570 0.588) 2.644 12.259 ( -6.427 -1.580 0.827) 6.670 12.527 ( 5.849 -0.527 1.088) 5.972 18.253 ( 1.606 -4.675 2.472) 5.527 18.504 ( 4.455 1.580 0.609) 4.766 18.748 ( 3.044 0.345 -0.355) 3.084 18.965 ( 1.749 3.049 -3.268) 4.800 20.869 ( -2.948 -0.004 0.027) 2.948 21.015 ( 2.174 -0.022 -0.003) 2.175 27.877 ( -2.004 -0.958 0.362) 2.251 28.008 ( 0.531 0.865 -0.281) 1.053 37.022 ( -6.950 -7.171 -0.060) 9.987 37.395 ( -8.601 7.565 8.825) 14.460 38.060 ( -6.267 -0.975 -9.844) 11.710 40.230 ( 13.837 0.375 1.300) 13.903 ======================= Grid point 47 (39/294) ======================= q-point: (-0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -24.060 5.696 -0.709) 24.735 3.287 ( -28.102 10.479 -4.810) 30.376 4.143 ( -2.204 1.914 -2.810) 4.052 5.248 ( 5.125 -9.899 0.828) 11.178 5.484 ( -3.534 3.213 10.282) 11.337 6.074 ( -3.104 -3.720 -7.627) 9.035 6.147 ( -13.814 1.508 6.044) 15.154 6.525 ( 11.154 2.631 -3.043) 11.858 7.187 ( -8.195 -0.404 1.736) 8.386 7.614 ( -1.835 -0.291 7.860) 8.076 7.961 ( -5.854 -5.427 -8.604) 11.736 8.212 ( -0.931 2.638 4.138) 4.995 10.522 ( -0.031 8.046 -1.741) 8.233 11.034 ( 12.897 -9.985 -5.980) 17.372 11.221 ( 6.662 -3.174 3.232) 8.056 12.063 ( -1.548 8.323 2.064) 8.714 12.138 ( -4.813 -0.809 -2.220) 5.362 12.624 ( 5.380 -0.580 0.177) 5.414 18.250 ( 3.064 -7.284 3.234) 8.538 18.591 ( 4.701 0.289 -0.285) 4.718 18.812 ( 4.385 0.165 -0.881) 4.476 19.021 ( 1.424 5.560 -2.813) 6.392 20.822 ( -2.973 0.483 0.956) 3.161 21.054 ( 2.493 -0.311 0.170) 2.518 27.846 ( -0.749 -0.785 0.615) 1.247 28.007 ( -0.891 0.271 -1.016) 1.378 36.809 ( -7.038 -10.353 2.091) 12.692 37.394 ( -10.035 14.419 8.773) 19.636 37.846 ( -10.775 -2.541 -8.083) 13.708 40.455 ( 12.426 -0.352 -4.485) 13.215 ======================= Grid point 48 (40/294) ======================= q-point: (-0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -27.658 4.331 4.060) 28.288 2.821 ( -33.797 14.978 -6.820) 37.591 4.146 ( -9.048 14.038 -3.569) 17.079 5.160 ( -3.466 -12.160 2.350) 12.861 5.532 ( -1.667 3.769 4.241) 5.913 5.661 ( -29.670 2.142 5.730) 30.294 6.079 ( 8.214 -1.257 -9.120) 12.338 6.868 ( 5.536 11.903 -0.271) 13.131 7.132 ( 10.272 -7.249 2.398) 12.799 7.583 ( -3.295 -11.885 8.250) 14.839 7.757 ( -8.330 4.913 -4.601) 10.710 8.266 ( -1.416 4.483 8.962) 10.120 10.619 ( 2.594 7.149 -0.192) 7.608 11.050 ( 8.857 -15.224 -9.248) 19.894 11.299 ( 5.209 -5.960 4.211) 8.966 12.002 ( -8.924 3.885 2.222) 9.983 12.220 ( 7.098 6.828 -6.561) 11.835 12.699 ( 4.926 -1.650 -0.817) 5.258 18.256 ( 4.295 -6.217 2.474) 7.951 18.662 ( 4.553 -2.619 -0.558) 5.282 18.883 ( 4.233 0.236 -1.768) 4.593 19.083 ( 1.063 4.660 -1.545) 5.023 20.792 ( -2.264 0.677 3.189) 3.970 21.095 ( 2.566 -0.691 0.823) 2.782 27.844 ( 0.777 -0.294 0.556) 1.000 27.976 ( -1.929 -0.030 -1.544) 2.471 36.634 ( -4.692 -6.051 3.015) 8.229 37.413 ( -10.627 13.503 7.331) 18.682 37.581 ( -13.614 1.007 -3.942) 14.209 40.570 ( 7.825 -2.506 -15.023) 17.123 ======================= Grid point 50 (41/294) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( -13.380 22.201 17.117) 31.062 3.042 ( -19.442 27.887 4.199) 34.253 4.231 ( -25.822 15.597 -8.183) 31.257 4.884 ( 8.312 -8.246 -4.259) 12.459 5.103 ( -14.022 4.132 -7.709) 16.527 5.911 ( -0.516 -1.394 -0.270) 1.511 6.239 ( 1.031 6.667 7.441) 10.044 6.868 ( 4.994 -5.891 -6.590) 10.153 7.322 ( 4.320 4.572 -2.739) 6.861 7.337 ( -1.482 -8.433 15.882) 18.043 7.842 ( -4.149 9.067 -0.565) 9.987 8.397 ( -7.778 -3.579 3.170) 9.130 10.528 ( 4.536 -5.529 2.479) 7.569 11.125 ( 18.523 -3.277 6.366) 19.859 11.402 ( 3.553 10.278 -1.845) 11.031 11.859 ( -11.617 -5.148 -8.390) 15.227 12.230 ( -0.066 -0.685 2.247) 2.350 12.668 ( 4.603 -4.065 -1.925) 6.435 18.324 ( 7.719 0.595 -1.567) 7.899 18.501 ( -1.084 -6.452 -0.913) 6.606 18.904 ( 3.793 -1.881 -1.340) 4.441 19.113 ( -1.309 -1.999 -0.475) 2.436 20.857 ( 0.106 -0.472 5.434) 5.456 21.122 ( 2.523 -2.436 2.313) 4.201 27.846 ( -1.025 -0.273 -1.014) 1.467 27.955 ( 0.797 1.610 -0.504) 1.866 36.683 ( 3.189 8.034 -1.276) 8.737 37.105 ( -18.625 -2.782 -0.441) 18.837 37.970 ( -9.678 15.190 8.458) 19.898 40.192 ( 1.473 0.546 -28.024) 28.068 ======================= Grid point 51 (42/294) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -5.639 24.461 17.576) 30.644 3.112 ( -11.031 27.210 12.501) 31.911 3.972 ( -15.337 18.019 -8.182) 25.037 4.902 ( 3.164 3.334 -2.761) 5.362 4.968 ( -5.900 1.921 -9.283) 11.166 5.733 ( -10.075 -2.812 -7.375) 12.799 6.379 ( 5.396 2.312 5.240) 7.869 6.966 ( 14.687 -12.849 -1.605) 19.580 7.237 ( -9.908 -5.470 -1.219) 11.383 7.385 ( -1.528 7.316 11.356) 13.595 7.874 ( -5.665 15.922 0.601) 16.911 8.205 ( -9.187 -3.455 0.992) 9.865 10.615 ( 6.216 -0.891 3.416) 7.149 11.331 ( 6.808 -1.854 5.683) 9.060 11.431 ( -13.378 -14.125 -6.517) 20.517 11.735 ( 8.856 13.423 0.317) 16.084 12.288 ( 8.106 -2.854 1.230) 8.681 12.718 ( 7.134 -4.745 0.170) 8.569 18.302 ( -3.482 -8.611 -2.200) 9.546 18.530 ( 6.613 2.885 -1.521) 7.373 18.930 ( 2.534 -4.396 0.205) 5.078 19.056 ( -1.740 -2.062 -2.462) 3.652 20.889 ( 1.069 -1.755 6.142) 6.477 21.144 ( 1.783 -3.600 2.944) 4.980 27.816 ( -0.973 -0.431 -1.221) 1.620 27.987 ( 0.638 1.983 -0.250) 2.098 36.762 ( -17.867 -0.406 -0.663) 17.884 36.856 ( 6.371 12.022 -3.407) 14.026 37.936 ( -14.373 11.642 6.362) 19.560 40.129 ( 4.576 6.874 -29.004) 30.157 ======================= Grid point 52 (43/294) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( -6.162 19.307 15.046) 25.241 3.163 ( -16.531 17.135 5.953) 24.542 4.052 ( 5.955 13.697 -5.499) 15.915 4.777 ( -6.764 -1.093 -9.781) 11.942 5.095 ( 9.013 12.204 1.005) 15.205 5.601 ( -2.831 9.320 -5.805) 11.339 6.466 ( -0.952 -1.951 5.144) 5.584 6.857 ( -9.412 -16.297 -8.618) 20.699 7.064 ( 10.676 -13.963 -2.058) 17.697 7.604 ( 0.215 19.398 16.672) 25.579 7.966 ( -4.206 16.951 -0.160) 17.465 8.057 ( -6.462 -0.082 2.399) 6.894 10.681 ( -1.225 -3.236 0.364) 3.479 11.073 ( -6.583 -9.943 1.747) 12.052 11.469 ( 6.244 4.624 2.183) 8.071 11.925 ( 0.353 8.112 0.417) 8.130 12.406 ( 9.151 -7.083 -2.746) 11.893 12.802 ( 6.672 -8.060 3.263) 10.960 18.168 ( -0.491 -6.644 -0.681) 6.697 18.640 ( 3.743 1.461 -1.985) 4.482 18.872 ( -2.188 -7.037 -2.341) 7.732 19.016 ( -0.494 -0.057 -1.226) 1.323 20.916 ( 0.755 -2.275 5.469) 5.972 21.141 ( 0.732 -4.440 2.922) 5.366 27.799 ( -0.017 0.042 -0.899) 0.900 28.004 ( -0.526 1.513 -0.439) 1.661 36.533 ( -8.663 2.702 -0.530) 9.090 37.084 ( 7.708 12.795 -4.472) 15.593 37.805 ( -15.195 9.895 4.040) 18.577 40.155 ( 4.620 8.772 -25.236) 27.114 ======================= Grid point 53 (44/294) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( -4.594 12.290 11.196) 17.248 3.030 ( -10.482 5.927 0.369) 12.047 4.162 ( 2.482 5.559 -11.949) 13.411 4.784 ( 6.791 5.430 -0.757) 8.728 5.290 ( 3.819 1.782 -1.755) 4.565 5.793 ( 4.509 20.122 -2.604) 20.785 6.342 ( -12.527 7.296 0.586) 14.509 6.556 ( -1.568 -17.911 -1.185) 18.019 7.162 ( 15.263 -12.043 -1.497) 19.500 7.813 ( -2.397 5.518 5.923) 8.442 7.974 ( -0.616 7.824 2.118) 8.129 8.128 ( -4.389 19.406 7.397) 21.227 10.517 ( -6.170 -8.477 0.851) 10.519 11.046 ( 2.016 -1.630 6.685) 7.170 11.671 ( 9.109 7.906 0.062) 12.061 11.968 ( -1.622 4.169 0.605) 4.515 12.402 ( 0.756 -7.681 -4.560) 8.964 12.734 ( -4.957 -11.236 1.954) 12.436 18.178 ( 7.626 -3.700 0.344) 8.484 18.637 ( -2.706 -5.657 0.647) 6.304 18.742 ( -3.004 -1.437 -6.707) 7.489 18.998 ( -1.857 -0.117 0.499) 1.927 20.926 ( 0.023 -1.705 4.048) 4.393 21.114 ( -0.186 -4.477 2.292) 5.033 27.808 ( 0.956 0.851 -0.546) 1.392 27.999 ( -1.000 0.908 -0.645) 1.497 36.525 ( 4.129 3.332 -0.478) 5.327 37.303 ( 6.289 10.785 -4.197) 13.172 37.695 ( -10.261 9.705 3.286) 14.501 40.162 ( 0.350 6.899 -19.952) 21.114 ======================= Grid point 54 (45/294) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.761 ( 1.720 -4.916 0.650) 5.249 3.091 ( 4.921 10.299 10.978) 15.837 4.238 ( 1.954 12.549 -8.541) 15.305 4.976 ( 11.101 1.568 -3.482) 11.740 5.331 ( 4.859 -1.245 -4.152) 6.512 5.754 ( -16.346 4.149 -3.294) 17.183 6.295 ( -4.490 -6.014 -4.428) 8.715 6.554 ( 6.149 13.441 4.547) 15.464 7.285 ( 12.949 -12.575 0.473) 18.056 7.807 ( 4.216 -3.058 -1.032) 5.310 8.077 ( -4.181 13.198 1.180) 13.895 8.288 ( -4.582 16.012 10.568) 19.725 10.395 ( -0.039 -7.419 3.794) 8.333 11.087 ( -1.402 1.021 6.212) 6.450 11.885 ( 4.278 1.862 1.748) 4.982 11.971 ( -1.712 2.157 0.956) 2.915 12.198 ( -10.574 -5.495 -4.045) 12.584 12.562 ( -2.148 -5.754 -1.759) 6.389 18.332 ( 12.385 -2.241 0.149) 12.587 18.476 ( -4.762 -9.343 -1.172) 10.552 18.668 ( -4.362 1.968 -3.671) 6.032 18.948 ( -4.446 0.427 0.799) 4.538 20.930 ( -0.204 -0.636 2.560) 2.646 21.074 ( -0.729 -3.765 1.431) 4.093 27.838 ( 1.261 1.440 -0.280) 1.935 27.988 ( -0.403 0.468 -0.712) 0.942 36.700 ( 12.764 1.334 -1.124) 12.883 37.450 ( 2.362 8.347 -4.313) 9.688 37.702 ( -1.916 8.627 4.912) 10.111 40.094 ( -4.019 4.063 -14.355) 15.451 ======================= Grid point 55 (46/294) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( 10.877 -4.565 6.380) 13.411 3.435 ( 16.162 10.142 7.533) 20.514 4.324 ( -3.948 11.453 -2.411) 12.352 5.144 ( 11.571 -2.623 -5.596) 13.118 5.390 ( 1.232 -2.300 -3.938) 4.724 5.538 ( -4.156 4.768 -2.438) 6.778 6.114 ( -5.907 -4.672 -3.301) 8.223 6.721 ( -1.315 6.944 -6.248) 9.433 7.364 ( 9.881 -12.584 4.674) 16.668 7.925 ( 9.458 -0.197 0.980) 9.511 8.108 ( -5.682 12.435 -0.590) 13.685 8.328 ( -10.813 7.545 6.647) 14.766 10.406 ( 5.604 -4.412 4.443) 8.404 11.079 ( -4.825 2.620 4.644) 7.192 11.628 ( -19.442 -9.432 3.970) 21.971 11.989 ( -1.466 3.538 -0.767) 3.906 12.193 ( 5.711 3.173 -2.699) 7.069 12.509 ( 0.973 -2.823 -2.146) 3.677 18.317 ( -1.879 -7.746 -2.187) 8.265 18.517 ( 8.071 -0.362 -2.837) 8.563 18.588 ( -3.142 -0.308 1.838) 3.653 18.877 ( -5.101 2.144 0.731) 5.582 20.936 ( -0.016 0.194 1.338) 1.352 21.032 ( -1.069 -2.639 0.683) 2.929 27.873 ( 1.299 1.328 -0.105) 1.860 27.987 ( 0.060 0.327 -0.564) 0.654 36.933 ( 13.737 -0.228 -1.682) 13.842 37.513 ( 1.179 3.133 -5.419) 6.369 37.838 ( 3.540 8.847 7.412) 12.073 39.971 ( -5.667 1.139 -8.917) 10.627 ======================= Grid point 56 (47/294) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.042 ( 8.270 1.784 4.947) 9.801 3.848 ( 17.673 5.572 1.937) 18.632 4.308 ( -8.126 7.712 3.332) 11.688 5.123 ( -11.645 5.106 1.582) 12.813 5.399 ( 6.652 -5.512 -5.503) 10.242 5.688 ( 19.696 -8.519 -2.561) 21.612 6.052 ( 3.961 6.523 -4.665) 8.944 6.587 ( -8.724 -6.698 -6.716) 12.887 7.445 ( 7.042 -5.128 5.762) 10.445 7.988 ( -8.616 8.733 -1.749) 12.392 8.115 ( -8.925 -5.118 -0.983) 10.335 8.231 ( 0.807 6.452 4.742) 8.048 10.548 ( 9.881 1.983 3.438) 10.649 11.023 ( -7.206 3.328 2.067) 8.202 11.265 ( -15.659 -6.078 2.212) 16.942 11.991 ( -1.421 2.483 -0.016) 2.861 12.279 ( 4.220 -0.288 -1.885) 4.631 12.485 ( -0.395 -2.754 -1.077) 2.983 18.249 ( 2.076 -4.245 -1.280) 4.896 18.454 ( -6.239 0.137 -1.364) 6.388 18.670 ( 5.007 -1.911 0.845) 5.426 18.851 ( -1.206 3.715 0.836) 3.994 20.946 ( 0.328 0.451 0.474) 0.732 20.993 ( -1.460 -1.410 0.206) 2.041 27.910 ( 1.875 0.808 -0.010) 2.042 27.983 ( -0.779 0.103 -0.264) 0.829 37.131 ( 9.057 1.409 -0.735) 9.195 37.488 ( 0.651 -5.586 -3.968) 6.882 38.049 ( 4.750 10.388 5.088) 12.504 39.857 ( -2.653 -1.286 -3.844) 4.845 ======================= Grid point 57 (48/294) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( -2.009 7.029 0.179) 7.313 4.112 ( 9.721 -0.994 -0.582) 9.789 4.235 ( -12.268 8.868 0.591) 15.149 5.071 ( 1.624 3.027 2.907) 4.500 5.324 ( -1.568 -8.406 -4.953) 9.883 5.828 ( 1.942 -3.584 1.861) 4.481 6.304 ( -0.826 -12.900 2.197) 13.111 6.440 ( 25.607 4.076 -2.390) 26.040 7.535 ( -4.222 4.974 2.095) 6.852 7.738 ( -13.198 -1.498 -2.840) 13.583 7.992 ( -3.393 -1.185 1.112) 3.761 8.318 ( 0.773 1.264 -0.123) 1.486 10.795 ( 9.154 9.863 1.074) 13.499 10.908 ( -11.471 4.222 -3.207) 12.637 10.988 ( -8.320 -8.343 2.149) 11.977 11.994 ( -0.161 1.184 0.051) 1.196 12.337 ( 4.859 -1.509 -0.287) 5.096 12.423 ( -2.756 -3.270 0.214) 4.282 18.268 ( 2.070 -2.008 -0.111) 2.886 18.364 ( -1.840 -0.694 0.147) 1.972 18.701 ( 0.968 -0.331 -0.040) 1.024 18.903 ( 1.666 3.785 0.005) 4.136 20.956 ( -1.918 -0.415 0.062) 1.963 20.961 ( 0.799 0.360 -0.063) 0.878 27.951 ( 2.212 0.321 -0.046) 2.235 27.957 ( -1.957 -0.437 0.046) 2.006 37.210 ( -2.106 -2.108 0.070) 2.981 37.448 ( 5.261 -4.802 -0.101) 7.124 38.196 ( -1.361 8.407 0.035) 8.517 39.851 ( 5.501 -1.691 -0.004) 5.755 ======================= Grid point 58 (49/294) ======================= q-point: (-0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.121 ( -11.071 8.068 0.591) 13.712 4.077 ( -18.230 15.727 -0.858) 24.092 4.173 ( 2.545 -4.501 -4.819) 7.068 5.082 ( 2.305 -12.136 -9.755) 15.740 5.358 ( 11.301 0.788 13.012) 17.253 5.804 ( 0.139 -0.577 4.033) 4.076 6.191 ( -2.489 -6.107 4.798) 8.156 6.906 ( 17.973 -4.243 -0.580) 18.476 7.254 ( -14.487 -3.714 -1.792) 15.063 7.750 ( -1.118 9.026 0.708) 9.122 7.925 ( -0.459 -4.326 -3.052) 5.314 8.287 ( -2.630 -1.005 -1.100) 3.022 10.678 ( -10.670 1.595 -4.102) 11.542 10.842 ( -3.858 -5.205 0.972) 6.551 11.062 ( 6.714 12.114 -1.081) 13.892 12.012 ( 1.757 0.336 -1.238) 2.175 12.336 ( -3.593 -3.842 2.384) 5.775 12.424 ( 5.717 0.152 0.570) 5.748 18.231 ( -2.136 -3.269 2.093) 4.430 18.405 ( 5.398 -1.273 -0.783) 5.601 18.719 ( 1.292 0.505 -0.299) 1.419 18.972 ( 1.582 5.379 -0.953) 5.687 20.919 ( -2.494 0.484 0.184) 2.547 20.981 ( 1.544 -0.103 -0.192) 1.559 27.911 ( -2.621 -0.682 0.464) 2.748 27.987 ( 1.923 -0.320 -0.495) 2.011 37.052 ( -6.744 -10.373 1.129) 12.424 37.551 ( 3.748 4.202 3.204) 6.478 38.159 ( -8.769 4.621 -2.990) 10.353 40.003 ( 12.299 -0.473 -0.049) 12.308 ======================= Grid point 59 (50/294) ======================= q-point: (-0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -18.842 4.511 3.219) 19.640 3.837 ( -23.468 10.685 -7.845) 26.952 4.210 ( 0.777 11.828 2.362) 12.086 4.995 ( 6.872 -11.405 -5.266) 14.318 5.590 ( 3.267 -1.516 14.793) 15.225 5.930 ( 9.176 -3.900 1.412) 10.070 6.141 ( 3.987 3.408 -0.044) 5.245 6.715 ( -19.570 -5.430 -2.683) 20.486 7.241 ( 5.194 -7.035 2.904) 9.214 7.698 ( -7.829 -0.791 -0.634) 7.894 7.893 ( 1.169 -0.826 -7.469) 7.605 8.265 ( 0.318 1.669 2.467) 2.995 10.593 ( 0.148 1.083 -0.309) 1.136 10.747 ( -0.768 -5.942 -0.185) 5.995 11.240 ( 1.729 11.189 -3.376) 11.814 12.049 ( 3.426 0.875 -3.867) 5.240 12.255 ( -4.634 -0.955 3.897) 6.130 12.529 ( 5.488 -0.016 0.879) 5.558 18.180 ( -0.340 -5.070 2.980) 5.891 18.473 ( 5.501 -2.736 -1.569) 6.341 18.756 ( 2.522 1.131 -0.995) 2.937 19.053 ( 1.407 6.292 -0.914) 6.512 20.883 ( -2.761 0.949 0.770) 3.020 21.010 ( 2.191 -0.494 -0.005) 2.246 27.867 ( -2.000 -0.544 0.692) 2.185 28.001 ( 0.712 -0.735 -1.093) 1.497 36.837 ( -6.655 -10.220 2.418) 12.433 37.653 ( -0.774 6.199 3.831) 7.329 37.999 ( -12.123 4.173 -1.835) 12.952 40.209 ( 12.538 -0.678 -4.517) 13.345 ======================= Grid point 60 (51/294) ======================= q-point: (-0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -23.049 2.786 6.772) 24.184 3.472 ( -27.601 15.361 -7.014) 32.357 4.398 ( -0.798 19.735 1.796) 19.833 4.982 ( 3.520 -11.510 -1.437) 12.122 5.618 ( -1.075 -0.911 5.654) 5.827 5.866 ( -4.426 -4.146 -10.046) 11.735 6.277 ( -20.003 1.829 5.097) 20.723 6.545 ( 24.965 -1.037 2.222) 25.085 7.197 ( -5.677 -0.991 4.715) 7.446 7.551 ( -2.889 -10.464 0.275) 10.859 7.845 ( -2.238 2.507 -6.059) 6.929 8.342 ( 2.215 3.402 6.568) 7.721 10.620 ( 4.917 -9.958 0.408) 11.113 10.720 ( 1.687 1.468 -0.545) 2.301 11.312 ( -1.118 7.026 -3.590) 7.969 12.082 ( 1.433 -0.117 -5.317) 5.508 12.224 ( -1.724 2.995 3.361) 4.821 12.609 ( 3.832 -0.661 -0.099) 3.890 18.159 ( 2.100 -4.443 2.477) 5.503 18.525 ( 5.564 -4.276 -1.604) 7.198 18.811 ( 3.369 0.910 -1.890) 3.968 19.120 ( 0.220 4.477 -0.304) 4.493 20.855 ( -2.463 1.042 1.959) 3.315 21.046 ( 2.631 -0.912 0.532) 2.835 27.845 ( -0.602 0.126 0.707) 0.937 27.986 ( -0.647 -0.834 -1.642) 1.952 36.672 ( -4.521 -5.496 2.585) 7.572 37.638 ( -6.762 -0.797 -1.041) 6.888 37.877 ( -11.077 12.992 5.784) 18.026 40.334 ( 8.252 -2.568 -12.043) 14.824 ======================= Grid point 62 (52/294) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( -12.047 17.935 12.936) 25.182 3.613 ( -17.338 17.056 6.033) 25.058 4.570 ( 5.918 -9.740 -3.959) 12.065 4.839 ( -23.253 17.310 -7.854) 30.033 5.305 ( -14.595 -0.636 -11.945) 18.871 5.779 ( 10.978 1.015 -2.809) 11.377 6.362 ( -1.082 0.929 3.960) 4.209 6.625 ( 8.067 -13.246 0.217) 15.511 7.281 ( 4.829 1.386 1.776) 5.329 7.383 ( 0.173 1.266 9.119) 9.208 7.970 ( 0.817 10.513 -1.148) 10.607 8.412 ( -0.319 -7.891 0.634) 7.923 10.470 ( 1.989 1.537 4.871) 5.481 10.904 ( 7.127 -0.136 3.802) 8.079 11.433 ( 0.855 2.408 1.985) 3.235 11.920 ( -5.161 -3.343 -6.387) 8.866 12.257 ( -1.042 -0.416 1.883) 2.192 12.567 ( 1.128 -3.525 -2.512) 4.473 18.211 ( 5.590 1.516 -1.310) 5.938 18.432 ( 1.923 -4.580 -0.440) 4.987 18.823 ( 2.328 -1.752 -1.454) 3.256 19.123 ( -2.330 -2.365 0.270) 3.331 20.888 ( -1.095 0.553 2.642) 2.913 21.062 ( 2.780 -2.344 1.250) 3.845 27.871 ( -1.554 1.111 -0.051) 1.911 27.944 ( 1.259 0.611 -1.106) 1.784 36.702 ( 2.731 7.331 -1.703) 8.007 37.375 ( -14.622 -1.282 0.882) 14.704 38.264 ( -4.352 9.882 6.802) 12.762 40.045 ( -0.288 -2.126 -17.824) 17.952 ======================= Grid point 63 (53/294) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.841 ( -7.574 22.128 13.355) 26.933 3.584 ( -10.773 16.580 12.067) 23.164 4.356 ( -16.852 1.852 -3.859) 17.387 4.783 ( 1.626 7.055 -9.374) 11.845 5.107 ( -6.668 6.038 -7.834) 11.929 5.794 ( -4.144 -3.178 -8.785) 10.220 6.355 ( 3.098 1.123 -4.357) 5.463 6.611 ( 7.353 -16.097 2.652) 17.894 7.349 ( -9.215 -0.686 2.036) 9.462 7.508 ( 8.670 9.438 12.333) 17.786 8.071 ( -2.013 12.509 -0.373) 12.676 8.284 ( -3.808 -7.334 -0.514) 8.280 10.576 ( 2.489 4.896 5.759) 7.958 11.124 ( 15.386 -2.455 5.105) 16.396 11.404 ( -4.351 -13.265 1.021) 13.998 11.800 ( -2.303 9.080 -2.548) 9.708 12.239 ( -0.830 -1.087 0.197) 1.382 12.567 ( 4.784 -3.884 -1.758) 6.408 18.259 ( -0.423 -4.128 -2.107) 4.654 18.445 ( 4.830 0.688 -0.867) 4.956 18.837 ( 2.897 -4.005 -0.419) 4.961 19.056 ( -2.101 -2.525 -0.996) 3.432 20.896 ( -0.090 -0.045 3.224) 3.226 21.086 ( 2.317 -3.282 1.716) 4.368 27.841 ( -2.229 0.769 -0.597) 2.433 27.982 ( 1.785 1.523 -0.629) 2.429 36.855 ( 5.374 11.768 -3.579) 13.423 37.079 ( -18.708 -0.485 1.297) 18.759 38.278 ( -9.234 7.534 6.357) 13.507 39.961 ( 3.618 1.647 -20.391) 20.775 ======================= Grid point 64 (54/294) ======================= q-point: ( 0.25 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.962 ( -7.717 15.881 8.049) 19.404 3.612 ( -13.441 10.399 7.955) 18.763 4.131 ( -9.358 4.528 -3.541) 10.982 4.781 ( -2.384 0.446 -6.458) 6.899 5.119 ( 2.290 11.341 -2.348) 11.806 5.686 ( 0.337 6.924 -8.306) 10.818 6.434 ( 3.700 0.580 -3.642) 5.224 6.590 ( 11.309 -19.233 2.127) 22.412 7.079 ( -17.530 -3.078 -3.402) 18.121 7.818 ( 4.619 12.097 12.139) 17.749 8.119 ( -5.350 6.650 -0.225) 8.538 8.223 ( -0.189 6.275 4.263) 7.588 10.667 ( -0.268 0.600 2.597) 2.679 11.100 ( -8.173 -13.630 1.347) 15.949 11.374 ( 11.072 1.007 3.406) 11.628 11.964 ( 4.919 9.294 0.613) 10.533 12.222 ( 2.887 -3.953 -1.474) 5.112 12.627 ( 6.876 -4.951 0.494) 8.488 18.147 ( -3.748 -5.048 -0.629) 6.318 18.559 ( 6.069 1.608 -1.696) 6.504 18.814 ( 0.009 -6.587 -0.698) 6.624 19.008 ( -0.274 -0.669 -2.001) 2.128 20.914 ( 0.401 -0.498 3.154) 3.219 21.092 ( 1.472 -3.967 1.841) 4.615 27.814 ( -1.485 1.094 -0.340) 1.875 28.013 ( 0.623 1.037 -0.758) 1.428 36.780 ( -16.419 1.686 1.078) 16.540 37.065 ( 6.651 12.875 -4.074) 15.054 38.160 ( -14.043 5.040 4.288) 15.524 39.994 ( 7.656 4.475 -18.601) 20.607 ======================= Grid point 65 (55/294) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.947 ( -9.048 3.488 -4.946) 10.886 3.361 ( -19.814 2.702 4.423) 20.481 4.076 ( 0.722 2.714 -5.992) 6.618 4.791 ( 2.300 6.174 1.608) 6.782 5.245 ( 2.620 1.949 -1.209) 3.483 5.906 ( 8.929 21.079 -2.251) 23.003 6.381 ( 1.350 -13.719 0.198) 13.786 6.628 ( -8.113 1.336 3.895) 9.098 6.809 ( 4.833 -6.330 -7.483) 10.928 7.878 ( -5.218 -3.347 -1.016) 6.282 8.156 ( -2.536 12.560 5.328) 13.877 8.401 ( 1.462 16.000 9.964) 18.906 10.525 ( -6.884 -11.230 -0.265) 13.175 11.028 ( 2.207 0.173 6.433) 6.803 11.589 ( 9.668 5.746 0.221) 11.249 12.046 ( -2.171 4.162 -0.039) 4.694 12.252 ( 5.581 -4.986 -3.075) 8.091 12.655 ( 2.276 -8.978 1.201) 9.340 18.083 ( 1.026 -1.773 0.756) 2.183 18.616 ( -0.398 -4.781 0.941) 4.889 18.722 ( -0.568 -2.189 -5.432) 5.884 19.006 ( 0.639 -0.156 -0.554) 0.860 20.930 ( 0.245 -0.496 2.493) 2.554 21.078 ( 0.566 -4.008 1.588) 4.348 27.812 ( -0.215 1.578 0.075) 1.595 28.014 ( -0.597 0.187 -0.951) 1.138 36.596 ( -7.926 3.071 0.950) 8.553 37.276 ( 6.182 10.709 -3.675) 12.900 37.987 ( -12.574 4.607 2.619) 13.645 40.074 ( 5.675 4.237 -14.698) 16.316 ======================= Grid point 66 (56/294) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -6.804 -10.631 -11.534) 17.098 3.262 ( -4.463 7.583 10.743) 13.886 4.139 ( 6.705 3.222 -7.689) 10.699 4.928 ( 3.279 5.929 2.986) 7.405 5.247 ( 0.741 -1.614 -4.459) 4.800 6.099 ( -11.453 12.462 0.140) 16.926 6.256 ( -1.983 -9.244 -0.508) 9.468 6.609 ( 4.434 11.388 4.282) 12.949 6.922 ( 13.657 -9.400 -3.293) 16.903 7.726 ( -2.785 -5.147 -3.867) 7.014 8.248 ( -1.882 8.601 2.729) 9.218 8.614 ( -3.631 17.236 9.877) 20.195 10.341 ( -2.043 -9.424 1.865) 9.822 11.115 ( 2.103 1.104 5.406) 5.905 11.814 ( 8.419 5.984 -0.508) 10.341 12.034 ( -1.998 2.394 0.578) 3.171 12.222 ( -2.125 -5.680 -3.425) 6.965 12.540 ( -3.381 -8.401 -0.551) 9.072 18.160 ( 7.118 0.941 1.248) 7.288 18.467 ( -5.434 -8.639 -1.270) 10.285 18.711 ( -0.510 1.351 -3.104) 3.423 19.003 ( -1.183 0.114 0.336) 1.235 20.939 ( -0.038 -0.038 1.593) 1.593 21.052 ( -0.085 -3.253 1.044) 3.417 27.836 ( 0.745 1.760 0.285) 1.932 27.994 ( -0.731 -0.381 -0.932) 1.244 36.580 ( 2.358 2.163 -0.004) 3.200 37.432 ( 4.067 5.698 -2.439) 7.413 37.882 ( -6.526 5.774 2.280) 9.007 40.098 ( 0.411 2.667 -10.016) 10.373 ======================= Grid point 67 (57/294) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 11.539 -6.216 3.300) 13.516 3.399 ( 5.933 7.918 6.126) 11.637 4.261 ( 9.994 -0.375 -7.486) 12.492 4.996 ( 0.069 0.263 -0.341) 0.436 5.250 ( 4.548 -1.912 -3.236) 5.900 5.921 ( -19.643 11.801 1.756) 22.983 6.148 ( -3.547 -2.198 -1.827) 4.555 6.780 ( -1.406 4.904 -3.941) 6.446 7.027 ( 14.913 -13.777 1.637) 20.368 7.732 ( 9.043 -1.466 -0.157) 9.162 8.287 ( -3.066 6.271 0.744) 7.020 8.672 ( -11.431 11.212 4.870) 16.736 10.299 ( 3.771 -4.307 2.575) 6.277 11.159 ( -0.399 0.224 3.036) 3.070 11.819 ( -10.553 -8.299 2.944) 13.744 12.044 ( -1.905 2.308 -1.403) 3.305 12.145 ( 2.627 4.165 -2.338) 5.451 12.457 ( 0.539 -2.079 -1.657) 2.713 18.249 ( -0.232 -6.274 -3.054) 6.982 18.378 ( 6.073 1.468 1.652) 6.462 18.673 ( -3.857 0.432 -0.299) 3.892 18.971 ( -3.255 1.024 0.548) 3.456 20.945 ( -0.126 0.322 0.734) 0.811 21.026 ( -0.474 -1.792 0.417) 1.900 27.865 ( 0.803 0.810 -0.043) 1.141 27.983 ( 0.222 0.015 -0.364) 0.427 36.699 ( 10.244 -0.124 -1.609) 10.371 37.491 ( 0.822 -0.520 -1.227) 1.566 37.915 ( 1.096 7.487 3.043) 8.156 40.038 ( -4.577 0.799 -5.119) 6.913 ======================= Grid point 68 (58/294) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 16.247 1.141 12.749) 20.684 3.666 ( 13.311 7.625 -0.523) 15.349 4.369 ( 6.402 -3.509 -1.982) 7.565 5.022 ( 10.545 -4.977 -3.603) 12.204 5.276 ( 2.128 -3.286 -3.058) 4.968 5.711 ( -18.445 9.733 1.627) 20.919 6.093 ( -2.156 5.382 -3.200) 6.622 6.623 ( -8.730 -10.855 -1.064) 13.971 7.199 ( 15.930 -7.059 1.022) 17.454 7.918 ( 9.889 -0.279 0.505) 9.906 8.287 ( -3.632 5.523 -0.052) 6.610 8.490 ( -18.398 2.870 0.060) 18.620 10.418 ( 9.529 3.200 1.968) 10.243 11.134 ( -3.054 -1.170 0.495) 3.308 11.500 ( -16.265 -6.208 2.127) 17.539 12.040 ( -1.339 2.622 -0.082) 2.945 12.208 ( 2.316 -0.175 -2.153) 3.167 12.464 ( 0.238 1.083 -1.037) 1.518 18.166 ( 1.054 -4.598 -2.362) 5.276 18.521 ( 1.993 3.009 -2.433) 4.352 18.611 ( -1.252 -0.383 4.429) 4.619 18.931 ( -3.163 2.189 0.836) 3.936 20.948 ( -0.033 -0.017 0.054) 0.066 21.007 ( -0.902 0.112 -0.084) 0.913 27.881 ( 1.378 -0.594 -0.445) 1.565 27.992 ( 0.076 0.588 0.323) 0.675 36.895 ( 14.413 -1.239 -2.566) 14.692 37.438 ( -2.250 -6.614 -0.264) 6.991 38.082 ( 6.190 8.689 3.364) 11.186 39.919 ( -6.723 -1.126 -0.657) 6.848 ======================= Grid point 70 (59/294) ======================= q-point: (-0.33 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 8.185 4.199 9.575) 13.278 3.931 ( 11.075 5.245 -7.869) 14.563 4.370 ( -0.938 -4.511 3.331) 5.686 5.138 ( 1.879 -4.811 -4.655) 6.954 5.295 ( 3.096 -0.711 -1.216) 3.402 5.589 ( 6.861 -0.160 1.180) 6.964 6.135 ( 0.134 5.832 -3.006) 6.563 6.359 ( -5.854 -13.816 9.655) 17.843 7.436 ( 15.197 -0.110 -0.298) 15.200 7.966 ( -5.082 -5.002 -3.073) 7.765 8.112 ( -18.111 4.934 -4.636) 19.335 8.334 ( -0.339 -0.425 2.603) 2.659 10.693 ( 13.155 9.717 0.498) 16.362 11.041 ( -5.094 -3.253 -0.564) 6.070 11.189 ( -16.271 -0.915 -1.384) 16.355 12.025 ( -2.672 1.305 -0.995) 3.136 12.231 ( 4.166 -3.709 0.053) 5.578 12.448 ( -2.527 0.501 -0.300) 2.594 18.179 ( 4.428 -1.343 -1.127) 4.763 18.449 ( -6.514 -0.090 0.417) 6.528 18.678 ( 2.120 1.627 1.073) 2.879 18.932 ( -0.194 3.164 1.223) 3.398 20.945 ( 0.254 -0.608 -0.344) 0.743 20.994 ( -1.476 1.588 -0.374) 2.201 27.901 ( 2.419 -1.284 -0.491) 2.782 27.989 ( -1.353 0.267 0.624) 1.514 37.124 ( 12.937 -0.364 -1.736) 13.058 37.299 ( -2.010 -11.153 0.388) 11.340 38.283 ( 4.020 8.402 2.007) 9.529 39.813 ( -3.028 -2.278 2.647) 4.623 ======================= Grid point 71 (60/294) ======================= q-point: (-0.25 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( -1.640 2.808 4.530) 5.576 4.050 ( 5.239 1.957 -11.991) 13.231 4.328 ( -1.538 0.410 -0.226) 1.608 5.027 ( -6.377 -1.979 -2.883) 7.273 5.266 ( 2.031 -4.356 7.850) 9.205 5.811 ( 5.957 -1.351 2.743) 6.696 6.161 ( 4.690 -7.307 12.260) 15.023 6.416 ( 16.857 -2.318 -0.729) 17.032 7.541 ( -18.800 -4.339 -5.711) 20.122 7.716 ( 8.154 0.381 -2.860) 8.649 7.985 ( -6.678 5.215 -2.482) 8.829 8.309 ( -2.044 -3.414 1.113) 4.132 10.822 ( -9.327 -7.785 -1.441) 12.234 10.941 ( -6.925 2.414 -3.246) 8.020 11.066 ( 6.300 16.012 -2.255) 17.353 11.981 ( -0.536 -1.901 -1.596) 2.540 12.279 ( 4.497 -4.352 2.431) 6.714 12.412 ( -1.637 1.478 0.590) 2.283 18.236 ( 1.819 -1.362 0.548) 2.337 18.357 ( -2.812 -0.352 0.682) 2.915 18.713 ( 0.342 1.765 -0.022) 1.798 18.990 ( 1.814 4.159 0.413) 4.556 20.943 ( 0.360 -0.668 -0.311) 0.820 20.982 ( -1.610 1.896 -0.518) 2.541 27.929 ( 2.198 -1.470 -0.364) 2.670 27.960 ( -1.984 -0.391 0.569) 2.101 37.063 ( -6.213 -11.530 2.226) 13.285 37.404 ( 14.009 -0.204 -1.693) 14.113 38.357 ( -5.161 6.248 0.918) 8.156 39.834 ( 5.999 -1.439 3.203) 6.951 ======================= Grid point 72 (61/294) ======================= q-point: (-0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -10.288 -2.919 2.476) 10.977 4.051 ( -1.458 4.887 -14.190) 15.079 4.351 ( 0.794 6.521 -1.068) 6.656 4.911 ( -5.517 3.253 4.130) 7.621 5.421 ( 14.365 -10.046 18.434) 25.438 5.876 ( 2.285 2.139 4.459) 5.448 6.184 ( -4.019 1.931 1.463) 4.692 6.654 ( 13.920 -14.149 -8.159) 21.460 7.158 ( -11.559 -4.751 2.805) 12.809 7.743 ( -0.777 -7.287 -8.456) 11.190 7.951 ( -6.579 9.464 -3.130) 11.944 8.265 ( 1.304 -1.019 2.908) 3.346 10.595 ( -6.229 -5.613 -0.761) 8.419 10.843 ( -5.425 3.384 -1.229) 6.511 11.299 ( 3.315 13.290 -4.978) 14.574 11.968 ( 2.637 -2.415 -2.055) 4.125 12.289 ( -0.025 -3.392 3.070) 4.575 12.462 ( 3.788 2.330 1.624) 4.734 18.188 ( -3.335 -3.490 2.519) 5.445 18.370 ( 2.933 -0.630 -1.129) 3.206 18.739 ( 0.807 1.973 -0.370) 2.164 19.072 ( 2.366 4.688 -0.247) 5.258 20.936 ( -1.223 0.515 0.211) 1.343 20.978 ( 0.304 0.503 -0.542) 0.800 27.906 ( -2.562 -0.465 0.847) 2.738 27.959 ( 2.032 -1.573 -0.844) 2.705 36.856 ( -5.918 -10.505 2.749) 12.367 37.601 ( 8.868 0.391 -1.710) 9.039 38.273 ( -10.617 5.656 2.476) 12.281 39.987 ( 10.445 -0.603 -0.026) 10.463 ======================= Grid point 73 (62/294) ======================= q-point: (-0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.996 ( -14.139 -2.189 4.361) 14.958 3.934 ( -13.644 11.390 -9.179) 20.004 4.427 ( 5.573 -1.628 -3.335) 6.696 5.022 ( 0.611 19.314 8.181) 20.984 5.584 ( 1.105 -13.213 15.867) 20.678 5.953 ( -3.070 5.549 2.447) 6.797 6.192 ( 10.488 1.038 -4.116) 11.314 6.441 ( -6.054 -15.240 -13.798) 21.431 7.155 ( 6.080 -5.426 12.014) 14.517 7.550 ( -7.096 -5.507 -9.438) 13.029 7.879 ( -3.670 1.969 -3.359) 5.351 8.347 ( 2.949 2.885 3.184) 5.211 10.488 ( -0.751 -5.936 1.137) 6.090 10.819 ( -3.129 5.898 1.052) 6.759 11.385 ( -1.102 7.219 -4.913) 8.801 11.994 ( 3.713 -1.331 -3.535) 5.297 12.272 ( -0.699 -1.515 2.987) 3.421 12.555 ( 3.200 1.347 1.008) 3.615 18.126 ( -1.026 -2.940 2.019) 3.711 18.403 ( 3.333 -2.301 -1.305) 4.256 18.774 ( 1.502 1.512 -0.940) 2.329 19.146 ( 1.230 3.227 -0.127) 3.456 20.915 ( -2.283 1.219 0.857) 2.727 20.996 ( 2.040 -0.758 -0.096) 2.179 27.871 ( -1.624 0.194 0.854) 1.845 27.965 ( 0.846 -1.418 -1.268) 2.082 36.702 ( -3.847 -5.747 2.233) 7.268 37.669 ( 0.504 -1.453 -2.251) 2.726 38.191 ( -8.513 8.428 5.425) 13.150 40.126 ( 7.685 -1.584 -5.566) 9.620 ======================= Grid point 76 (63/294) ======================= q-point: ( 0.08 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( -1.227 11.122 5.074) 12.287 3.982 ( -7.953 1.087 10.803) 13.459 4.381 ( 4.127 0.019 -3.546) 5.441 5.198 ( -7.420 -11.468 -6.368) 15.070 5.455 ( -13.313 5.547 -22.439) 26.675 5.825 ( -12.228 14.785 0.281) 19.188 6.243 ( 11.448 -5.942 4.678) 13.720 6.390 ( 10.676 -2.580 8.810) 14.081 7.170 ( 3.079 -1.493 -6.054) 6.954 7.496 ( 0.283 7.038 10.058) 12.279 7.970 ( 7.175 3.811 1.075) 8.195 8.351 ( -2.153 -5.532 -1.459) 6.113 10.483 ( 2.869 3.648 2.336) 5.196 10.880 ( -0.151 -1.249 1.966) 2.334 11.430 ( 0.434 -3.977 4.074) 5.710 11.932 ( -2.083 -0.196 -1.938) 2.851 12.270 ( -0.226 0.684 -0.664) 0.980 12.536 ( -2.154 -2.719 -1.967) 3.988 18.149 ( 3.428 2.456 -1.414) 4.448 18.370 ( 0.613 -1.575 0.280) 1.713 18.779 ( 0.357 -1.679 -0.418) 1.767 19.142 ( -2.283 -2.580 0.275) 3.456 20.928 ( -1.353 0.762 0.866) 1.777 20.999 ( 2.244 -1.780 0.378) 2.889 27.903 ( 1.252 1.284 0.098) 1.796 27.926 ( -1.136 0.358 -0.500) 1.292 36.712 ( 3.093 6.473 -1.966) 7.438 37.574 ( -8.135 0.247 1.786) 8.333 38.350 ( 3.122 0.746 0.503) 3.249 40.009 ( -4.759 -0.809 -5.442) 7.275 ======================= Grid point 77 (64/294) ======================= q-point: ( 0.17 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( -2.837 15.386 6.086) 16.788 3.917 ( -8.630 2.360 14.981) 17.449 4.386 ( 0.649 -5.523 -2.774) 6.214 4.978 ( -8.283 8.852 -11.380) 16.627 5.249 ( -6.745 4.344 -7.448) 10.947 5.793 ( -4.537 4.120 -4.449) 7.573 6.260 ( -1.442 -4.135 -8.852) 9.877 6.439 ( 1.097 -6.414 1.165) 6.610 7.376 ( 16.305 3.476 7.650) 18.343 7.569 ( -6.146 7.259 7.076) 11.855 8.134 ( 6.394 -1.508 1.591) 6.759 8.234 ( -2.705 -1.167 -3.089) 4.268 10.634 ( 4.843 7.623 4.875) 10.263 10.931 ( 6.680 -1.138 4.409) 8.084 11.349 ( -3.488 -13.787 3.764) 14.711 11.898 ( -1.843 4.793 -1.217) 5.277 12.255 ( -1.966 0.597 -1.742) 2.694 12.473 ( 0.731 -3.128 -2.021) 3.795 18.223 ( 1.916 1.354 -1.765) 2.936 18.370 ( 2.409 -1.424 -0.333) 2.818 18.765 ( 1.043 -2.981 -0.355) 3.178 19.066 ( -2.658 -3.298 -0.142) 4.238 20.921 ( -0.895 0.645 1.383) 1.769 21.022 ( 2.410 -2.604 0.757) 3.628 27.896 ( -2.752 1.477 0.075) 3.124 27.952 ( 2.592 0.977 -0.723) 2.863 36.861 ( 5.330 11.126 -3.150) 12.733 37.381 ( -15.252 -0.049 2.125) 15.400 38.416 ( 1.444 0.733 2.002) 2.575 39.880 ( -3.609 0.126 -9.805) 10.449 ======================= Grid point 78 (65/294) ======================= q-point: ( 0.25 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( -7.347 8.591 -0.214) 11.306 3.882 ( -7.737 0.371 12.549) 14.747 4.305 ( -4.431 1.370 -2.555) 5.295 4.938 ( -8.761 10.856 0.270) 13.953 5.213 ( -3.506 8.963 -3.295) 10.173 5.654 ( -2.776 -1.704 -7.352) 8.041 6.238 ( 10.280 -3.149 -8.036) 13.423 6.370 ( -0.309 -6.049 -4.502) 7.546 7.393 ( -17.256 1.373 4.211) 17.816 7.805 ( 13.648 7.235 8.095) 17.440 8.157 ( 6.840 -4.958 2.113) 8.708 8.272 ( -1.118 7.382 -0.838) 7.513 10.760 ( -3.755 5.223 4.311) 7.743 11.068 ( -0.339 -10.390 1.033) 10.446 11.180 ( 9.541 -4.220 4.546) 11.380 11.975 ( 3.672 6.228 1.515) 7.387 12.197 ( -3.177 -0.419 -2.388) 3.997 12.488 ( 4.540 -2.776 -0.757) 5.375 18.180 ( -4.222 -2.059 -0.167) 4.700 18.452 ( 6.677 0.911 -1.631) 6.934 18.747 ( 0.718 -4.300 -0.280) 4.369 18.998 ( -1.308 -2.238 -1.362) 2.928 20.925 ( -0.217 0.429 1.517) 1.591 21.035 ( 1.864 -3.032 0.933) 3.679 27.865 ( -2.612 1.715 0.161) 3.129 27.996 ( 1.812 0.574 -0.823) 2.072 37.061 ( 4.451 10.708 -2.444) 11.851 37.107 ( -16.309 2.884 1.278) 16.611 38.385 ( -6.623 -1.298 2.179) 7.092 39.836 ( 3.964 2.249 -11.035) 11.939 ======================= Grid point 79 (66/294) ======================= q-point: ( 0.33 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.091 ( -11.804 -1.553 -11.613) 16.632 3.714 ( -15.787 -2.713 6.672) 17.353 4.222 ( -10.645 8.282 -0.397) 13.493 4.864 ( -5.690 6.944 2.620) 9.352 5.232 ( 0.236 1.364 0.084) 1.386 5.800 ( 16.864 4.231 -0.029) 17.386 6.243 ( 0.829 -12.664 2.394) 12.915 6.447 ( 12.480 8.198 -11.903) 19.095 7.087 ( -20.925 3.165 2.426) 21.301 7.933 ( -3.640 -1.400 0.939) 4.011 8.299 ( -1.626 5.423 0.074) 5.662 8.412 ( 15.487 5.405 7.667) 18.107 10.571 ( -11.300 -9.837 0.025) 14.982 11.047 ( 1.554 2.850 4.795) 5.790 11.430 ( 13.803 2.828 -0.092) 14.090 12.110 ( 5.735 -1.540 0.472) 5.957 12.130 ( -3.461 3.072 -0.678) 4.677 12.530 ( 3.860 -4.992 0.178) 6.312 18.100 ( -2.951 -0.000 1.108) 3.152 18.555 ( 4.512 -1.340 0.357) 4.721 18.683 ( -1.719 -3.827 -3.332) 5.357 18.975 ( 1.372 -1.164 -1.249) 2.190 20.935 ( 0.120 0.326 1.230) 1.279 21.035 ( 1.096 -2.923 0.864) 3.239 27.847 ( -1.596 1.861 0.457) 2.494 28.011 ( 0.329 -0.278 -0.939) 1.033 36.836 ( -15.212 1.927 2.342) 15.512 37.271 ( 5.213 11.316 -2.863) 12.783 38.212 ( -10.666 -2.563 0.767) 10.997 39.922 ( 7.883 2.659 -8.686) 12.028 ======================= Grid point 80 (67/294) ======================= q-point: ( 0.42 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -16.021 -6.953 -15.280) 23.206 3.479 ( -11.152 0.383 4.913) 12.192 4.146 ( -5.724 5.366 1.307) 7.954 4.936 ( 3.222 4.811 2.189) 6.190 5.226 ( -1.343 -0.570 -1.090) 1.821 6.130 ( 16.828 -3.153 -0.588) 17.131 6.171 ( 1.492 -6.566 3.154) 7.436 6.686 ( 9.243 7.999 -4.366) 12.980 6.822 ( -16.158 6.862 3.313) 17.865 7.772 ( -9.121 -3.462 -2.781) 10.144 8.329 ( 0.114 2.327 0.760) 2.451 8.733 ( 9.583 5.613 5.462) 12.376 10.329 ( -6.187 -6.523 -0.108) 8.991 11.128 ( 1.063 2.845 3.481) 4.620 11.695 ( 12.244 6.551 -2.332) 14.081 12.073 ( -1.026 -1.243 -0.544) 1.701 12.183 ( 0.617 -0.907 0.998) 1.483 12.496 ( -0.818 -6.594 -0.080) 6.645 18.116 ( 1.930 3.448 2.191) 4.518 18.482 ( -5.939 -6.797 -0.683) 9.051 18.681 ( 3.217 0.841 -2.869) 4.392 18.994 ( 1.810 -0.695 -0.370) 1.974 20.946 ( 0.118 0.310 0.664) 0.742 21.027 ( 0.430 -1.977 0.532) 2.092 27.852 ( -0.326 1.577 0.596) 1.717 27.996 ( -0.661 -0.805 -0.829) 1.332 36.661 ( -8.494 1.907 1.654) 8.862 37.421 ( 3.003 6.593 -1.705) 7.443 38.029 ( -7.240 -1.962 -0.003) 7.501 40.028 ( 5.363 1.497 -4.693) 7.282 ======================= Grid point 81 (68/294) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 436 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( 0.000 0.000 0.000) 0.000 3.401 ( -0.000 0.000 0.000) 0.000 4.132 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.192 ( -0.000 -0.000 0.000) 0.000 6.155 ( 0.000 0.000 0.000) 0.000 6.269 ( -0.000 0.000 0.000) 0.000 6.720 ( -0.000 0.000 0.000) 0.000 6.821 ( -0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 8.345 ( -0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 10.244 ( -0.000 0.000 0.000) 0.000 11.161 ( -0.000 0.000 0.000) 0.000 11.870 ( -0.000 0.000 0.000) 0.000 12.071 ( -0.000 0.000 0.000) 0.000 12.142 ( 0.000 0.000 0.000) 0.000 12.439 ( -0.000 0.000 0.000) 0.000 18.204 ( 0.000 0.000 0.000) 0.000 18.343 ( -0.000 -0.000 0.000) 0.000 18.709 ( -0.000 0.000 0.000) 0.000 19.006 ( -0.000 0.000 0.000) 0.000 20.951 ( -0.000 -0.000 0.000) 0.000 21.021 ( 0.000 0.000 0.000) 0.000 27.862 ( -0.000 0.000 0.000) 0.000 27.980 ( 0.000 0.000 0.000) 0.000 36.603 ( 0.000 0.000 0.000) 0.000 37.476 ( 0.000 0.000 0.000) 0.000 37.953 ( -0.000 0.000 0.000) 0.000 40.070 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (69/294) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -0.000 0.000 34.439) 34.439 0.542 ( -0.000 0.000 34.439) 34.439 0.898 ( -0.000 0.000 56.968) 56.968 4.899 ( 0.000 -0.000 -1.647) 1.647 4.899 ( 0.000 -0.000 -1.647) 1.647 6.270 ( 0.000 -0.000 -2.149) 2.149 6.270 ( 0.000 -0.000 -2.149) 2.149 6.921 ( -0.000 0.000 1.594) 1.594 6.921 ( -0.000 0.000 1.594) 1.594 7.474 ( -0.000 0.000 1.874) 1.874 7.950 ( 0.000 -0.000 -3.050) 3.050 8.554 ( 0.000 -0.000 -5.770) 5.770 10.879 ( 0.000 -0.000 -1.895) 1.895 10.879 ( 0.000 -0.000 -1.895) 1.895 11.210 ( -0.000 0.000 1.340) 1.340 11.210 ( -0.000 0.000 1.340) 1.340 12.952 ( 0.000 -0.000 -1.422) 1.422 13.193 ( -0.000 0.000 0.937) 0.937 18.614 ( 0.000 -0.000 -0.200) 0.200 18.614 ( 0.000 -0.000 -0.200) 0.200 19.019 ( -0.000 0.000 0.396) 0.396 19.019 ( -0.000 0.000 0.396) 0.396 21.216 ( -0.000 0.000 2.537) 2.537 22.383 ( 0.000 -0.000 -1.877) 1.877 27.864 ( -0.000 0.000 0.285) 0.285 27.996 ( 0.000 -0.000 -0.285) 0.285 36.602 ( 0.000 -0.000 -4.119) 4.119 36.602 ( 0.000 -0.000 -4.119) 4.119 36.783 ( -0.000 0.000 4.261) 4.261 36.783 ( -0.000 0.000 4.261) 4.261 ======================= Grid point 163 (70/294) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 33.223 -5.822 17.677) 38.081 0.979 ( 15.225 6.590 30.529) 34.745 1.969 ( 45.498 38.834 29.650) 66.763 4.756 ( -6.484 1.178 -5.769) 8.758 5.119 ( 9.140 5.083 -4.806) 11.510 6.132 ( -17.023 1.226 6.385) 18.222 6.243 ( 4.349 -16.450 1.520) 17.083 6.598 ( 5.213 -2.027 10.972) 12.316 6.950 ( -2.422 4.364 2.390) 5.534 7.589 ( 1.857 4.772 1.284) 5.279 7.977 ( 2.891 4.102 -4.027) 6.435 8.318 ( -11.169 -4.470 -0.936) 12.067 10.883 ( 8.046 -15.870 1.135) 17.829 11.050 ( -3.703 -0.137 -7.005) 7.924 11.304 ( 9.566 14.773 -7.184) 19.009 11.500 ( 12.361 11.842 -4.880) 17.799 12.861 ( -10.051 -5.212 -3.396) 11.820 13.048 ( -10.420 -6.636 3.206) 12.763 18.570 ( -3.114 -2.892 0.091) 4.250 18.629 ( 0.162 4.132 -1.062) 4.270 19.023 ( 0.823 -1.960 0.475) 2.179 19.087 ( 3.215 1.219 -6.473) 7.330 21.198 ( -4.821 -2.737 5.068) 7.511 21.431 ( -32.734 -18.814 35.245) 51.650 27.859 ( 0.171 0.246 -0.722) 0.781 27.955 ( -1.608 -1.318 0.625) 2.171 36.619 ( -1.747 -0.566 -0.150) 1.843 36.715 ( -0.847 17.712 -0.430) 17.737 36.899 ( 18.998 -7.299 1.730) 20.425 39.039 ( 89.131 51.386 -102.531) 145.250 ======================= Grid point 164 (71/294) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 19.668 7.162 24.630) 32.322 1.672 ( 39.720 6.593 4.159) 40.478 3.138 ( 35.920 29.507 8.898) 47.329 4.745 ( 4.904 7.788 -1.403) 9.310 5.214 ( -1.890 4.810 -0.753) 5.222 5.963 ( -3.893 -7.194 12.139) 14.638 6.189 ( -1.230 -1.664 -6.531) 6.851 6.756 ( 9.944 -7.369 1.309) 12.446 7.021 ( 4.461 8.218 -0.614) 9.371 7.628 ( 0.145 -0.540 -2.673) 2.731 7.951 ( -12.588 4.201 2.685) 13.540 8.246 ( 5.497 3.222 4.957) 8.073 10.830 ( -4.884 -4.535 5.425) 8.594 10.988 ( 9.611 -11.796 -11.235) 18.914 11.544 ( 2.280 11.636 1.454) 11.946 11.694 ( 3.025 7.145 -1.835) 7.973 12.459 ( -17.209 -11.303 -4.977) 21.182 12.880 ( -6.178 -4.219 0.773) 7.521 18.464 ( -4.915 -4.316 0.598) 6.568 18.664 ( -2.187 6.118 -1.363) 6.639 18.996 ( -1.527 -3.102 -0.507) 3.494 19.085 ( 2.408 -2.501 -5.439) 6.452 21.019 ( -10.399 -5.589 14.997) 19.086 21.238 ( -4.085 -2.554 7.743) 9.119 27.860 ( -0.184 0.649 -1.971) 2.084 27.927 ( -0.280 -1.171 0.661) 1.373 36.592 ( -0.709 -0.094 0.576) 0.918 36.926 ( 3.252 19.485 0.026) 19.754 37.229 ( 23.722 -4.130 3.679) 24.359 39.807 ( 28.175 16.563 -62.442) 70.478 ======================= Grid point 165 (72/294) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 20.343 13.152 19.256) 30.945 2.425 ( 39.055 6.786 -1.458) 39.667 3.853 ( 25.822 14.717 -6.406) 30.404 5.016 ( 6.237 10.514 0.407) 12.231 5.142 ( -9.149 8.014 -1.075) 12.211 5.940 ( -2.287 -3.320 2.344) 4.664 6.136 ( 5.919 -6.080 7.537) 11.349 6.853 ( 4.328 5.812 -5.605) 9.161 7.147 ( 6.352 -7.094 -3.004) 9.985 7.549 ( -4.065 0.699 -3.351) 5.314 7.853 ( -6.901 3.088 11.783) 14.000 8.443 ( 5.562 5.472 5.912) 9.790 10.706 ( -9.942 2.509 0.440) 10.264 10.973 ( 8.923 -18.779 -5.263) 21.447 11.453 ( -16.887 0.776 9.086) 19.192 11.841 ( 6.842 7.289 -7.020) 12.216 12.231 ( 0.530 -2.028 -1.461) 2.555 12.735 ( -5.972 -3.306 -1.328) 6.953 18.335 ( -5.405 -4.149 0.709) 6.851 18.639 ( -5.968 3.875 -0.948) 7.179 18.910 ( -2.600 -4.355 -2.653) 5.723 19.092 ( 3.393 -1.769 -2.757) 4.716 20.926 ( -4.093 -1.938 8.292) 9.449 21.183 ( -3.532 -2.288 4.228) 5.965 27.848 ( -0.302 0.351 -1.430) 1.503 27.928 ( 0.696 -0.258 -0.259) 0.786 36.598 ( 0.537 0.891 0.145) 1.050 37.185 ( 4.662 17.712 0.777) 18.332 37.637 ( 24.126 -2.812 5.384) 24.879 39.950 ( 9.676 7.057 -39.640) 41.409 ======================= Grid point 166 (73/294) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 17.558 13.076 15.210) 26.657 3.107 ( 35.688 5.036 -6.203) 36.572 4.405 ( 29.641 9.516 -6.401) 31.783 4.813 ( -17.317 0.781 -3.767) 17.739 5.332 ( 5.110 16.894 -3.953) 18.087 5.767 ( -6.826 -9.823 -4.177) 12.670 6.364 ( 7.476 2.847 14.957) 16.962 6.829 ( -10.923 0.361 -7.088) 13.026 7.151 ( 8.206 -4.427 -0.551) 9.340 7.518 ( -3.909 0.343 3.609) 5.331 7.845 ( -1.232 -0.501 5.873) 6.021 8.529 ( -2.385 0.544 3.312) 4.118 10.557 ( -8.880 2.164 0.806) 9.175 10.877 ( 1.481 -10.991 3.393) 11.597 11.352 ( 1.104 -1.838 3.749) 4.319 11.933 ( 1.630 3.884 -7.160) 8.307 12.279 ( 1.746 1.551 2.793) 3.641 12.616 ( -3.833 -1.025 -2.421) 4.648 18.217 ( -4.548 -2.751 0.664) 5.357 18.536 ( -7.074 -0.297 -0.579) 7.103 18.820 ( -1.221 -3.260 -3.081) 4.649 19.127 ( 2.661 -0.075 -1.537) 3.073 20.908 ( -0.939 -0.234 4.156) 4.267 21.115 ( -3.652 -2.292 2.394) 4.932 27.852 ( 0.961 0.342 -0.280) 1.058 27.932 ( 0.053 0.248 -1.127) 1.155 36.622 ( 0.822 1.432 -0.271) 1.673 37.423 ( 4.328 13.000 1.492) 13.782 38.015 ( 19.254 -2.756 4.148) 19.888 39.943 ( 3.739 4.780 -24.633) 25.370 ======================= Grid point 167 (74/294) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 8.377 6.929 9.370) 14.352 3.648 ( 28.906 -1.113 -12.271) 31.422 4.487 ( -9.947 -1.601 4.235) 10.929 5.054 ( 27.811 14.645 -16.091) 35.311 5.503 ( -10.717 0.782 -1.262) 10.819 5.619 ( 10.315 12.658 -0.694) 16.343 6.416 ( -9.809 -4.302 8.907) 13.930 6.537 ( -13.245 -9.473 2.353) 16.453 7.201 ( -3.181 1.966 -8.950) 9.700 7.471 ( -0.152 -2.109 11.449) 11.643 7.863 ( 2.871 -3.509 1.533) 4.786 8.461 ( -4.908 -0.378 1.921) 5.284 10.481 ( -3.252 -0.361 2.343) 4.024 10.888 ( 2.557 -0.796 4.297) 5.063 11.407 ( 5.021 -3.346 2.608) 6.573 11.930 ( 0.051 1.363 -4.166) 4.384 12.301 ( -2.335 1.224 1.892) 3.245 12.565 ( -0.929 1.032 -2.312) 2.697 18.141 ( -2.712 -0.765 0.802) 2.930 18.416 ( -4.521 -1.704 -0.645) 4.874 18.777 ( 0.442 -1.459 -1.976) 2.495 19.157 ( 1.414 0.233 -1.209) 1.875 20.924 ( 0.617 0.517 1.717) 1.896 21.041 ( -3.408 -2.039 1.117) 4.125 27.879 ( 1.405 -0.029 0.853) 1.644 27.925 ( -0.366 0.712 -1.499) 1.700 36.645 ( 0.219 1.507 -0.600) 1.637 37.591 ( 2.700 6.430 2.118) 7.289 38.245 ( 9.281 -2.984 -1.534) 9.869 39.960 ( 4.418 4.758 -10.483) 12.331 ======================= Grid point 168 (75/294) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( -6.533 -4.133 0.412) 7.742 3.866 ( 12.531 -11.213 -15.821) 23.088 4.489 ( -0.979 5.536 13.944) 15.034 5.305 ( 6.647 -1.359 -18.175) 19.400 5.384 ( -10.986 16.357 -11.418) 22.773 6.003 ( 5.761 11.006 -2.854) 12.746 6.211 ( -2.149 -5.665 9.391) 11.176 6.299 ( -1.001 -12.214 19.906) 23.375 7.084 ( -3.661 4.395 -13.313) 14.489 7.529 ( 0.095 -4.848 12.083) 13.019 7.886 ( 1.953 -0.819 1.233) 2.451 8.404 ( -3.072 0.789 0.665) 3.241 10.429 ( -1.808 -1.880 -1.101) 2.831 10.903 ( -2.953 -0.678 1.345) 3.315 11.459 ( 1.971 -2.626 4.122) 5.270 11.969 ( 3.865 2.062 1.436) 4.610 12.263 ( -2.520 0.288 -0.712) 2.634 12.567 ( 0.578 1.371 -1.472) 2.093 18.111 ( -1.547 1.292 0.496) 2.076 18.371 ( 1.165 -0.307 0.024) 1.204 18.782 ( 1.429 0.249 -0.505) 1.536 19.164 ( 0.494 -0.688 -1.469) 1.695 20.935 ( -1.318 -0.754 -0.148) 1.525 20.990 ( -0.252 -0.105 0.610) 0.668 27.880 ( -1.187 -0.029 -0.373) 1.245 27.942 ( 1.698 0.415 0.598) 1.847 36.650 ( -0.916 1.322 -0.927) 1.856 37.657 ( 0.341 -0.974 2.664) 2.857 38.250 ( -2.354 -2.193 -8.259) 8.863 40.089 ( 7.561 4.627 1.773) 9.040 ======================= Grid point 169 (76/294) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -15.896 -12.538 -3.671) 20.576 3.695 ( -10.162 -15.255 -8.192) 20.077 4.625 ( 3.816 6.861 9.352) 12.210 4.986 ( -21.199 -2.509 -13.970) 25.512 5.527 ( 8.875 8.302 -1.976) 12.312 5.895 ( -5.843 -7.020 7.313) 11.700 6.332 ( -8.718 -7.390 6.191) 12.998 6.410 ( 17.213 8.436 -3.590) 19.503 7.112 ( 6.072 5.777 -8.410) 11.873 7.474 ( -4.456 -8.353 9.526) 13.430 7.921 ( -1.257 2.436 2.798) 3.917 8.367 ( -1.687 0.819 -3.552) 4.017 10.410 ( 5.123 -2.277 -2.331) 6.071 10.825 ( -4.708 0.701 0.689) 4.809 11.455 ( -3.484 -0.451 5.865) 6.836 12.078 ( 3.274 0.874 3.376) 4.783 12.232 ( 0.218 -0.254 -1.150) 1.198 12.595 ( 1.888 1.443 -0.468) 2.422 18.123 ( 0.223 3.563 -0.280) 3.581 18.443 ( 5.823 0.993 1.046) 5.999 18.824 ( 2.091 1.776 0.844) 2.871 19.146 ( -0.012 -1.723 -2.192) 2.788 20.874 ( -2.885 -1.702 -0.914) 3.473 21.023 ( 2.065 1.231 -0.117) 2.406 27.856 ( -1.266 0.431 -0.681) 1.501 27.974 ( 1.065 -0.482 1.469) 1.878 36.630 ( -2.106 1.132 -1.344) 2.743 37.611 ( -2.203 -8.124 3.072) 8.961 38.061 ( -11.205 -0.872 -11.178) 15.851 40.308 ( 9.167 4.344 8.471) 13.216 ======================= Grid point 170 (77/294) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -19.602 -17.627 -1.427) 26.401 3.192 ( -26.533 -15.115 -0.471) 30.540 4.528 ( -22.719 -0.717 -0.147) 22.731 4.872 ( 13.467 -0.661 -0.179) 13.485 5.576 ( -3.245 0.157 -5.184) 6.119 5.767 ( -19.923 -16.722 7.044) 26.947 6.095 ( 1.022 4.335 1.259) 4.629 6.851 ( 25.331 8.386 -8.001) 27.857 7.137 ( -8.181 8.293 -0.653) 11.668 7.364 ( -0.535 -11.307 2.541) 11.601 7.881 ( -6.518 -1.080 3.822) 7.633 8.296 ( -3.936 0.267 -9.680) 10.453 10.559 ( 13.322 -4.476 -0.630) 14.068 10.835 ( 3.835 7.660 0.735) 8.598 11.410 ( -6.639 2.605 7.605) 10.425 12.054 ( -4.654 -2.637 -2.288) 5.818 12.297 ( 4.792 0.951 6.420) 8.067 12.662 ( 3.937 2.241 0.442) 4.552 18.190 ( 2.528 5.728 -0.822) 6.315 18.574 ( 7.163 0.305 1.626) 7.352 18.892 ( 2.427 2.565 1.383) 3.792 19.114 ( 0.173 -1.548 -3.162) 3.525 20.803 ( -2.759 -1.648 -1.173) 3.420 21.072 ( 2.256 1.327 -0.425) 2.652 27.845 ( -0.284 0.911 -0.647) 1.152 27.979 ( -0.324 -1.226 1.447) 1.924 36.589 ( -2.844 1.153 -1.921) 3.620 37.458 ( -4.752 -13.575 2.824) 14.657 37.761 ( -16.059 -0.122 -10.000) 18.919 40.558 ( 9.058 4.285 9.784) 14.005 ======================= Grid point 171 (78/294) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -20.446 -21.248 4.953) 29.901 2.525 ( -34.343 -15.589 4.643) 38.000 4.027 ( -34.572 -15.962 2.005) 38.132 4.984 ( -7.424 -0.155 -1.346) 7.546 5.257 ( -3.149 -12.098 -1.762) 12.624 5.499 ( -2.785 1.890 -6.651) 7.454 6.288 ( 9.058 3.156 5.658) 11.137 6.947 ( -13.176 6.133 2.061) 14.679 7.225 ( 1.835 -18.259 -3.035) 18.600 7.433 ( 21.019 14.839 -1.009) 25.749 7.713 ( -11.449 -1.035 -0.763) 11.521 8.163 ( -4.139 -0.742 -8.903) 9.846 10.653 ( 4.947 -3.229 -1.387) 6.068 11.110 ( 15.981 3.679 -3.887) 16.854 11.369 ( -7.085 4.732 8.362) 11.938 11.893 ( -8.676 -2.505 -2.853) 9.470 12.482 ( 9.303 4.113 11.708) 15.509 12.774 ( 5.428 2.811 1.614) 6.322 18.307 ( 4.061 7.016 -0.827) 8.149 18.677 ( 4.288 -2.418 0.944) 5.012 18.960 ( 1.908 2.170 0.847) 3.011 19.108 ( 2.465 0.489 -3.713) 4.484 20.739 ( -2.456 -1.428 -0.007) 2.841 21.120 ( 2.033 1.171 -0.140) 2.351 27.858 ( 0.946 1.416 -0.804) 1.883 27.956 ( -1.377 -1.666 1.134) 2.441 36.542 ( -2.642 1.562 -2.653) 4.057 37.217 ( -8.109 -14.143 0.489) 16.310 37.434 ( -15.654 -1.980 -5.005) 16.554 40.787 ( 7.793 3.987 4.844) 10.005 ======================= Grid point 172 (79/294) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -18.862 -23.360 15.202) 33.653 1.776 ( -36.889 -18.952 8.612) 42.357 2.952 ( -59.515 -30.424 -1.763) 66.864 4.871 ( -3.465 3.896 6.415) 8.267 5.258 ( 2.790 1.502 -17.134) 17.425 5.496 ( 5.898 -2.344 6.049) 8.768 6.463 ( 6.668 -4.915 7.080) 10.898 6.794 ( -18.023 15.056 6.000) 24.239 6.987 ( -4.847 -22.928 -1.882) 23.511 7.478 ( -3.802 -0.703 -8.834) 9.643 7.957 ( 16.999 14.821 -2.399) 22.680 8.068 ( -1.827 -1.671 -1.949) 3.151 10.705 ( 5.432 -1.573 -2.115) 6.038 11.258 ( 2.822 -2.722 -5.092) 6.426 11.361 ( -1.350 1.036 4.836) 5.127 11.714 ( -8.316 0.778 -3.673) 9.125 12.775 ( 9.470 5.794 5.580) 12.425 12.936 ( 8.336 3.992 8.369) 12.469 18.447 ( 4.220 6.917 -0.432) 8.114 18.675 ( -0.119 -3.698 -1.291) 3.918 19.002 ( 0.990 0.688 0.220) 1.225 19.165 ( 4.548 1.503 -4.797) 6.779 20.710 ( -0.874 -0.354 7.477) 7.537 21.162 ( 1.570 0.875 0.826) 1.978 27.886 ( 0.548 1.278 -1.846) 2.311 27.924 ( -0.435 -1.286 1.580) 2.083 36.511 ( -1.161 2.602 -3.366) 4.409 36.933 ( -10.239 -8.731 -2.149) 13.627 37.149 ( -11.383 -6.587 0.712) 13.171 40.902 ( 2.903 1.424 -17.275) 17.575 ======================= Grid point 175 (80/294) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -8.244 29.941 17.471) 35.632 1.398 ( -20.110 26.672 30.734) 45.392 1.976 ( 18.906 45.677 35.393) 60.798 4.814 ( 7.381 0.778 -13.306) 15.236 5.008 ( -4.199 3.865 2.401) 6.192 5.946 ( 2.834 -19.474 1.205) 19.716 6.539 ( -11.349 20.682 -0.574) 23.598 6.748 ( -15.253 -9.279 8.973) 19.982 6.894 ( 16.963 0.720 8.700) 19.078 7.426 ( 5.128 -8.456 0.510) 9.902 7.920 ( 1.636 -0.017 -6.556) 6.757 8.301 ( 1.583 -11.575 -2.645) 11.978 10.750 ( -12.560 -4.619 -2.741) 13.660 11.133 ( -0.482 -0.123 -3.940) 3.971 11.324 ( 3.588 18.136 -9.120) 20.614 11.404 ( 5.579 10.378 2.912) 12.137 12.892 ( 0.482 -3.907 -2.661) 4.752 13.181 ( -0.441 -1.527 -0.038) 1.590 18.552 ( 1.412 -4.519 -1.083) 4.857 18.616 ( 0.820 -0.229 0.153) 0.865 19.013 ( -1.970 -0.283 -0.325) 2.017 19.068 ( -0.336 1.447 -2.978) 3.328 21.221 ( 0.014 -3.727 4.173) 5.595 21.593 ( 0.055 -40.335 28.247) 49.242 27.855 ( 0.127 -0.446 -0.422) 0.627 27.960 ( -0.348 -1.669 0.391) 1.749 36.472 ( 6.253 -3.048 -3.433) 7.757 36.674 ( 0.868 6.235 -2.349) 6.719 36.981 ( -6.909 9.959 3.706) 12.675 38.658 ( 0.068 106.613 -77.826) 131.997 ======================= Grid point 176 (81/294) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 6.080 35.260 11.265) 37.512 1.571 ( -0.498 19.198 29.805) 35.456 3.022 ( 25.776 38.749 16.381) 49.337 4.777 ( 0.211 6.633 -7.217) 9.805 5.155 ( 9.805 2.742 -0.538) 10.196 5.856 ( 5.397 -18.465 9.994) 21.679 6.324 ( -15.815 0.945 -7.587) 17.566 6.692 ( -1.689 8.892 7.145) 11.531 7.082 ( -0.268 9.609 -2.062) 9.832 7.522 ( 7.969 -8.454 1.510) 11.715 7.983 ( 9.233 -2.467 -4.775) 10.684 8.202 ( 0.718 -5.539 3.250) 6.462 10.607 ( 2.216 -7.441 -1.960) 8.008 11.040 ( -7.271 1.365 -2.252) 7.733 11.501 ( 9.144 9.385 -4.084) 13.725 11.689 ( 8.554 8.899 0.657) 12.361 12.723 ( -17.039 -5.255 -3.853) 18.243 12.977 ( -12.428 -5.298 2.333) 13.710 18.527 ( -3.145 -0.815 -1.883) 3.755 18.646 ( 5.788 -1.749 0.351) 6.056 18.976 ( -1.215 -2.075 -0.795) 2.532 19.023 ( -1.907 -3.126 -3.352) 4.964 21.149 ( -5.218 -9.100 8.648) 13.595 21.337 ( -6.810 -12.571 15.685) 21.223 27.852 ( 0.326 -0.139 -1.497) 1.539 27.934 ( -1.043 -0.750 0.487) 1.374 36.667 ( 3.342 1.821 1.270) 4.012 36.761 ( 16.670 2.074 -3.419) 17.143 37.066 ( 1.711 13.582 1.752) 13.801 39.343 ( 20.145 51.105 -62.000) 82.835 ======================= Grid point 177 (82/294) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 12.017 19.862 21.389) 31.565 2.062 ( 18.505 28.373 5.819) 34.370 3.636 ( 13.727 16.262 -3.499) 21.567 5.019 ( 11.489 16.997 0.804) 20.532 5.283 ( -0.059 3.309 -0.391) 3.333 5.908 ( 7.915 -8.151 13.755) 17.840 6.017 ( -5.733 -9.806 -9.205) 14.620 6.827 ( 3.476 7.921 4.775) 9.880 7.087 ( -4.644 5.812 -10.192) 12.619 7.535 ( 1.591 -0.980 -2.687) 3.273 8.008 ( -1.032 -4.179 6.630) 7.905 8.346 ( 11.951 -0.842 6.085) 13.437 10.610 ( 8.058 -9.995 0.156) 12.839 10.917 ( -8.423 3.909 -3.596) 9.957 11.733 ( 9.467 7.028 -5.089) 12.841 11.832 ( -7.784 6.161 6.536) 11.886 12.249 ( -17.058 -7.792 -1.507) 18.814 12.790 ( -5.856 -5.230 -0.314) 7.858 18.427 ( -6.624 -0.075 -0.096) 6.625 18.728 ( 1.291 1.033 0.108) 1.656 18.890 ( -2.903 -5.502 -3.755) 7.267 18.959 ( 2.899 -5.398 -2.320) 6.552 21.018 ( -5.162 -5.894 8.552) 11.599 21.238 ( -3.603 -4.877 6.527) 8.909 27.844 ( 0.023 -0.196 -1.774) 1.785 27.925 ( -0.118 0.630 0.171) 0.664 36.680 ( -4.209 7.760 0.524) 8.844 37.160 ( 26.728 -2.966 -1.294) 26.923 37.282 ( 5.579 14.369 3.259) 15.755 39.681 ( 10.887 23.004 -43.188) 50.129 ======================= Grid point 178 (83/294) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 16.496 15.370 15.315) 27.256 2.679 ( 19.782 24.072 -1.260) 31.183 4.000 ( 22.233 6.733 -5.288) 23.825 5.112 ( -17.824 2.103 -2.930) 18.185 5.344 ( 8.367 10.449 -3.476) 13.830 5.740 ( -2.854 -7.926 -7.493) 11.274 6.279 ( 16.461 3.370 15.549) 22.893 6.872 ( -1.598 -15.022 -2.891) 15.381 7.070 ( -0.013 18.746 -3.615) 19.091 7.542 ( -0.664 2.944 -4.481) 5.403 7.977 ( -4.284 -2.806 11.012) 12.144 8.511 ( 5.296 -4.375 4.546) 8.238 10.676 ( 8.979 -7.904 3.111) 12.360 10.778 ( -11.036 4.830 -3.593) 12.571 11.524 ( -20.118 -2.822 7.377) 21.613 11.879 ( 4.079 3.763 -6.136) 8.273 12.224 ( 7.304 0.136 2.935) 7.873 12.655 ( -4.226 -3.049 -1.774) 5.505 18.313 ( -6.886 0.794 0.708) 6.967 18.651 ( -7.597 -2.970 0.155) 8.158 18.787 ( -1.514 -2.926 -4.294) 5.413 19.001 ( 7.949 -4.729 -2.120) 9.489 20.951 ( -2.409 -2.228 4.964) 5.951 21.162 ( -3.427 -3.857 3.486) 6.227 27.841 ( 0.544 0.369 -0.818) 1.049 27.935 ( 0.012 1.207 -0.680) 1.385 36.697 ( -3.471 8.303 0.380) 9.007 37.462 ( 7.915 7.377 -1.326) 10.901 37.635 ( 21.562 1.365 3.991) 21.971 39.793 ( 5.649 11.569 -28.121) 30.928 ======================= Grid point 179 (84/294) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 11.906 11.164 9.406) 18.838 3.154 ( 17.072 13.553 -10.208) 24.070 4.466 ( 24.083 -0.603 1.532) 24.139 4.808 ( -9.640 3.039 -6.394) 11.960 5.549 ( 4.307 5.289 -4.990) 8.451 5.670 ( 2.393 9.881 -2.929) 10.580 6.516 ( 0.477 -5.363 5.439) 7.653 6.628 ( -7.807 -11.293 2.796) 14.011 7.234 ( 0.057 12.938 -7.354) 14.882 7.515 ( -2.118 0.743 2.115) 3.084 7.912 ( -6.130 -1.886 8.973) 11.030 8.498 ( -1.003 -5.847 3.003) 6.649 10.619 ( -9.979 3.048 0.492) 10.446 10.799 ( 8.485 -2.901 5.361) 10.448 11.339 ( -2.436 -3.991 4.067) 6.197 11.907 ( 0.893 0.691 -4.229) 4.377 12.338 ( 2.153 1.122 2.570) 3.535 12.574 ( -1.828 -0.969 -1.914) 2.818 18.227 ( -5.288 2.260 1.370) 5.912 18.483 ( -6.720 -3.837 -0.900) 7.790 18.732 ( 0.360 -2.168 -2.871) 3.615 19.073 ( 5.814 -3.447 -1.951) 7.035 20.935 ( -0.469 -0.403 2.363) 2.442 21.082 ( -3.360 -3.152 1.767) 4.934 27.863 ( 1.413 0.958 0.363) 1.745 27.936 ( -0.668 1.181 -1.214) 1.821 36.724 ( -3.402 8.375 0.256) 9.043 37.616 ( 3.171 4.681 0.700) 5.697 37.982 ( 16.646 -0.890 -1.174) 16.711 39.858 ( 5.615 6.364 -14.594) 16.882 ======================= Grid point 180 (85/294) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -5.267 2.900 1.526) 6.203 3.415 ( 13.737 0.616 -17.800) 22.493 4.601 ( 0.504 1.362 12.125) 12.211 4.975 ( 18.456 -3.018 -10.365) 21.381 5.594 ( -2.097 17.824 -13.869) 22.681 5.957 ( 11.989 7.742 0.547) 14.282 6.346 ( -9.540 -4.005 8.550) 13.422 6.363 ( -11.934 -13.749 8.045) 19.904 7.195 ( -8.429 8.076 -11.176) 16.161 7.562 ( 0.507 -0.043 10.625) 10.637 7.870 ( -0.539 0.625 3.747) 3.837 8.446 ( -1.618 -3.754 3.207) 5.196 10.499 ( -7.141 1.316 -0.681) 7.294 10.910 ( 2.588 -2.444 4.345) 5.617 11.345 ( 5.790 -5.623 2.261) 8.382 11.927 ( 2.833 1.140 -0.088) 3.055 12.338 ( -3.789 0.826 0.898) 3.981 12.548 ( 0.610 -0.718 -1.435) 1.717 18.197 ( -3.423 4.440 2.296) 6.058 18.364 ( -2.353 -2.247 -1.153) 3.452 18.729 ( 2.710 -1.391 -1.824) 3.550 19.103 ( 3.072 -3.691 -2.150) 5.261 20.942 ( 0.020 0.037 0.556) 0.557 21.009 ( -2.442 -2.045 0.928) 3.318 27.901 ( 0.277 1.298 0.970) 1.644 27.927 ( 0.046 0.697 -0.999) 1.219 36.743 ( -4.196 8.356 0.167) 9.352 37.665 ( -0.477 -1.038 2.161) 2.444 38.150 ( 6.607 -0.830 -8.029) 10.431 39.983 ( 8.811 3.507 -2.630) 9.842 ======================= Grid point 181 (86/294) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -18.023 -4.226 -2.797) 18.722 3.464 ( 6.890 -7.447 -17.766) 20.459 4.689 ( -0.109 -2.380 9.500) 9.794 5.121 ( 2.502 0.783 -7.010) 7.484 5.572 ( -6.408 11.907 -11.153) 17.528 5.988 ( -9.589 -6.418 3.711) 12.121 6.141 ( 12.134 -4.660 -3.250) 13.398 6.498 ( -2.887 6.713 16.727) 18.253 7.099 ( -1.895 7.837 -7.299) 10.875 7.559 ( -5.075 -4.198 11.687) 13.415 7.953 ( 3.392 6.202 -0.476) 7.085 8.381 ( -2.816 -4.197 0.760) 5.111 10.387 ( -4.798 0.313 -3.691) 6.062 10.886 ( -2.512 -2.505 2.541) 4.364 11.424 ( 7.029 -5.016 3.935) 9.489 12.020 ( 5.114 -0.093 3.026) 5.943 12.265 ( -4.819 0.610 -0.903) 4.941 12.561 ( 2.242 -0.605 -0.457) 2.367 18.207 ( -2.953 6.379 2.276) 7.388 18.364 ( 3.873 -0.041 -0.263) 3.882 18.774 ( 4.243 -0.508 -0.836) 4.354 19.086 ( 1.411 -4.478 -3.003) 5.573 20.906 ( -2.880 -1.531 -0.280) 3.273 21.001 ( 1.410 0.476 0.360) 1.531 27.887 ( -1.899 0.837 -0.586) 2.157 27.958 ( 1.436 0.527 1.115) 1.893 36.744 ( -5.518 8.483 0.059) 10.120 37.601 ( -3.737 -7.373 3.439) 8.953 38.117 ( -3.170 -0.081 -12.373) 12.773 40.193 ( 11.551 2.058 4.214) 12.467 ======================= Grid point 182 (87/294) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -23.753 -6.943 -0.637) 24.755 3.307 ( -6.687 -10.459 -11.374) 16.836 4.591 ( -4.812 -13.715 -4.262) 15.147 5.016 ( -10.689 11.652 5.190) 16.643 5.589 ( -1.208 -0.093 -5.219) 5.357 5.942 ( 0.328 1.083 13.094) 13.143 6.257 ( -14.368 -2.265 -5.700) 15.623 6.435 ( 14.043 1.892 -5.287) 15.124 7.211 ( 4.004 4.778 1.421) 6.394 7.456 ( -8.941 -1.776 9.484) 13.155 8.004 ( -4.947 3.903 0.427) 6.315 8.291 ( -1.643 -3.434 -6.118) 7.205 10.362 ( 4.452 0.097 -2.030) 4.894 10.868 ( 0.447 2.528 1.640) 3.046 11.518 ( 3.445 0.033 7.281) 8.055 12.073 ( 0.392 -3.426 0.841) 3.550 12.204 ( 0.834 -3.391 0.522) 3.531 12.613 ( 3.869 0.759 0.249) 3.950 18.259 ( -0.782 8.896 1.735) 9.097 18.460 ( 6.358 -0.406 1.173) 6.478 18.848 ( 4.753 0.027 -0.163) 4.756 19.042 ( 1.373 -4.371 -4.694) 6.559 20.837 ( -3.136 -1.324 -0.031) 3.405 21.042 ( 2.251 0.833 -0.050) 2.401 27.863 ( -1.225 0.583 -0.506) 1.448 27.981 ( 0.098 0.045 1.029) 1.035 36.723 ( -6.874 8.892 -0.147) 11.240 37.435 ( -6.199 -12.677 4.303) 14.753 37.933 ( -10.303 0.518 -12.589) 16.276 40.441 ( 12.072 1.524 4.613) 13.013 ======================= Grid point 183 (88/294) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -26.257 -7.248 4.755) 27.652 2.896 ( -24.002 -11.569 -3.637) 26.892 4.287 ( -11.119 -14.953 -4.537) 19.179 5.087 ( -2.100 14.020 5.302) 15.136 5.503 ( -9.682 -8.065 8.846) 15.396 5.588 ( -29.626 -0.329 -6.479) 30.328 6.174 ( 6.782 0.797 -4.015) 7.922 6.780 ( 21.548 -0.647 -9.841) 23.697 7.236 ( -4.087 -6.754 10.756) 13.342 7.418 ( -1.692 12.394 4.150) 13.180 7.881 ( -10.609 -1.932 0.986) 10.828 8.179 ( -3.335 -0.363 -9.205) 9.798 10.466 ( 7.807 -2.668 -1.355) 8.361 10.982 ( 6.291 6.665 -1.589) 9.302 11.606 ( -4.125 8.259 9.019) 12.906 11.980 ( -5.710 -2.631 -2.481) 6.759 12.266 ( 14.010 -11.488 5.874) 19.046 12.705 ( 5.272 1.437 0.289) 5.472 18.371 ( 0.778 11.558 1.491) 11.680 18.555 ( 5.786 -4.529 2.145) 7.655 18.925 ( 4.041 -0.130 -0.166) 4.047 19.016 ( 3.244 -1.927 -6.811) 7.786 20.778 ( -2.746 -0.830 1.632) 3.301 21.091 ( 2.426 0.742 0.200) 2.545 27.856 ( 0.127 0.563 -0.461) 0.738 27.972 ( -1.323 -0.444 0.434) 1.461 36.688 ( -7.645 9.592 -0.401) 12.273 37.198 ( -7.603 -14.958 4.344) 17.333 37.664 ( -14.483 0.625 -9.859) 17.531 40.659 ( 10.359 0.675 -1.810) 10.538 ======================= Grid point 184 (89/294) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -26.573 -4.871 12.426) 29.737 2.237 ( -35.504 -15.348 -1.639) 38.714 3.722 ( -42.206 -10.906 0.929) 43.602 5.009 ( -15.651 -6.741 6.533) 18.250 5.242 ( -0.861 13.554 -0.465) 13.589 5.471 ( -1.035 1.282 -3.446) 3.820 6.302 ( 10.970 -1.198 -3.766) 11.660 6.842 ( -1.911 -14.828 0.200) 14.952 7.240 ( -6.826 14.625 8.016) 18.021 7.469 ( -5.933 -5.758 -5.644) 10.010 7.813 ( 10.096 5.899 4.067) 12.381 8.107 ( -3.184 2.887 -3.457) 5.516 10.548 ( 6.359 -1.676 -2.861) 7.171 11.114 ( 4.896 1.032 -5.251) 7.253 11.600 ( -10.340 9.132 5.273) 14.769 11.835 ( -6.893 -2.081 -0.952) 7.263 12.523 ( 22.403 -10.413 6.350) 25.508 12.819 ( 6.941 -0.185 0.828) 6.993 18.516 ( 0.907 12.453 1.407) 12.565 18.575 ( 3.322 -8.192 0.909) 8.886 18.973 ( 2.446 -0.970 -0.708) 2.725 19.054 ( 5.584 0.938 -7.370) 9.295 20.760 ( -0.676 -0.035 7.156) 7.188 21.141 ( 2.319 0.484 1.219) 2.664 27.873 ( 1.325 0.717 -0.867) 1.738 27.937 ( -1.899 -0.802 0.108) 2.064 36.655 ( -6.921 9.779 -0.144) 11.981 36.948 ( -7.912 -11.335 3.198) 14.189 37.364 ( -15.680 -0.257 -5.771) 16.710 40.740 ( 3.975 -1.966 -20.032) 20.517 ======================= Grid point 187 (90/294) ======================= q-point: ( 0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -10.017 23.542 20.551) 32.816 1.934 ( 5.534 43.296 19.280) 47.716 2.735 ( -32.090 31.048 17.518) 47.965 4.659 ( 0.566 1.650 -6.134) 6.377 5.124 ( -3.891 -2.755 1.098) 4.893 5.805 ( -5.418 -11.900 -5.327) 14.118 6.546 ( 20.176 4.092 6.077) 21.465 6.912 ( -5.315 2.781 8.654) 10.529 6.962 ( -1.703 21.303 1.757) 21.443 7.424 ( -14.851 -11.637 -2.587) 19.043 7.813 ( 1.202 -10.730 -7.338) 13.055 8.190 ( -1.754 -4.765 1.992) 5.455 10.833 ( 0.292 -7.899 1.184) 7.993 11.193 ( -8.031 5.950 -6.291) 11.810 11.366 ( 1.186 14.666 -7.813) 16.660 11.541 ( -6.567 0.590 5.448) 8.553 12.705 ( 15.296 -5.817 -4.023) 16.852 13.010 ( 12.435 -3.116 2.562) 13.073 18.507 ( -3.677 -7.991 -1.174) 8.874 18.568 ( 4.857 0.863 -0.451) 4.954 19.027 ( 0.435 -0.642 -0.572) 0.964 19.073 ( -1.251 0.060 -3.604) 3.816 21.145 ( 5.556 -9.629 8.982) 14.292 21.340 ( 6.575 -12.105 15.532) 20.761 27.841 ( 0.143 -0.941 -1.318) 1.626 27.950 ( 0.516 0.185 0.364) 0.658 36.537 ( -14.747 -4.027 -2.908) 15.561 36.671 ( 4.157 6.156 -0.844) 7.476 37.278 ( -11.437 14.903 4.069) 19.222 39.341 ( -19.704 51.192 -62.786) 83.372 ======================= Grid point 188 (91/294) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -3.523 28.963 16.175) 33.360 2.199 ( -20.338 25.801 21.891) 39.479 3.175 ( 14.514 45.081 15.152) 49.725 4.683 ( 5.296 1.556 -13.874) 14.932 5.092 ( 2.441 1.653 4.104) 5.053 5.654 ( 2.710 -11.581 1.462) 11.983 6.521 ( -14.679 -10.832 -4.269) 18.736 7.007 ( -12.308 15.774 2.760) 20.197 7.184 ( 4.137 16.495 7.129) 18.440 7.247 ( 12.140 -5.216 3.185) 13.592 7.728 ( 6.813 -10.681 -8.133) 15.055 8.129 ( 0.621 -5.793 1.703) 6.070 10.666 ( -10.330 -2.198 -0.601) 10.579 11.108 ( -1.236 1.292 -3.655) 4.069 11.452 ( 2.473 3.290 0.965) 4.227 11.658 ( 5.445 11.486 0.644) 12.727 12.745 ( 1.368 -7.227 -4.172) 8.456 13.112 ( -2.146 -5.715 0.152) 6.107 18.424 ( 4.343 -6.823 -1.080) 8.160 18.617 ( -0.000 0.815 -0.941) 1.245 18.988 ( -2.700 -2.176 -3.049) 4.617 19.022 ( -1.661 -2.462 0.208) 2.977 21.135 ( 0.224 -10.176 7.801) 12.825 21.338 ( -0.201 -12.130 12.435) 17.372 27.830 ( 0.547 -1.147 -1.338) 1.846 27.951 ( -0.822 0.464 0.223) 0.970 36.423 ( 5.676 0.907 -2.054) 6.104 36.828 ( 2.946 11.666 -2.908) 12.379 37.233 ( -8.154 11.653 3.052) 14.546 39.428 ( 0.011 48.689 -50.494) 70.145 ======================= Grid point 189 (92/294) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 1.506 20.843 22.794) 30.924 2.343 ( -3.665 33.561 11.742) 35.744 3.675 ( 0.355 19.731 -4.835) 20.318 4.872 ( 18.122 8.697 -7.174) 21.343 5.275 ( 7.474 7.674 4.896) 11.778 5.691 ( 11.451 -5.895 6.443) 14.401 6.085 ( -18.028 -11.109 -7.096) 22.333 6.927 ( -5.435 -3.450 1.892) 6.710 7.272 ( -7.020 19.325 -5.686) 21.333 7.497 ( 4.015 5.630 3.706) 7.845 7.816 ( 15.207 -8.869 1.524) 17.670 8.161 ( 8.147 -4.435 4.448) 10.288 10.529 ( -3.418 -1.548 1.810) 4.166 11.057 ( -5.231 1.438 0.087) 5.426 11.614 ( 9.431 6.306 -2.101) 11.538 11.854 ( 6.695 6.168 1.860) 9.291 12.553 ( -15.910 -7.795 -4.173) 18.202 12.865 ( -12.234 -7.822 1.114) 14.564 18.478 ( 5.045 -1.684 -3.945) 6.622 18.607 ( 2.067 -2.155 1.739) 3.456 18.865 ( -3.865 -7.204 -3.196) 8.778 18.960 ( -4.072 -1.129 0.147) 4.228 21.057 ( -2.540 -7.838 7.045) 10.841 21.266 ( -2.367 -7.436 7.259) 10.658 27.824 ( 0.690 -0.566 -1.575) 1.811 27.944 ( -0.802 1.112 0.100) 1.375 36.657 ( 18.669 -0.315 -0.446) 18.677 36.927 ( -3.152 14.393 -3.220) 15.082 37.331 ( 4.121 10.783 3.199) 11.979 39.627 ( 2.790 30.842 -38.635) 49.515 ======================= Grid point 190 (93/294) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( 4.725 14.746 18.412) 24.057 2.809 ( 9.570 32.682 8.220) 35.032 3.774 ( 6.148 7.905 -8.972) 13.446 5.193 ( 14.258 3.697 -6.924) 16.276 5.392 ( -6.394 4.886 1.310) 8.153 5.657 ( -8.612 -10.991 -10.057) 17.208 6.051 ( 19.467 7.239 6.877) 21.878 6.773 ( -3.366 -12.586 1.711) 13.140 7.334 ( -6.733 22.235 -2.494) 23.365 7.581 ( -0.219 6.257 -2.143) 6.618 7.952 ( 6.682 -6.954 6.664) 11.722 8.327 ( 11.152 -5.976 5.202) 13.680 10.531 ( 3.546 -2.104 4.452) 6.068 10.969 ( -7.707 3.098 0.126) 8.308 11.788 ( 3.226 3.464 -2.038) 5.153 11.983 ( -17.418 2.850 -0.353) 17.653 12.103 ( -0.477 -5.956 3.267) 6.810 12.675 ( -3.945 -5.237 -1.358) 6.696 18.445 ( -5.616 2.689 -2.123) 6.578 18.691 ( -3.703 -8.157 -0.370) 8.966 18.720 ( 9.890 -4.231 -2.628) 11.073 18.863 ( -4.718 -2.371 -0.233) 5.285 20.986 ( -2.205 -4.064 4.730) 6.615 21.188 ( -2.703 -5.519 4.053) 7.362 27.828 ( 0.800 0.477 -1.191) 1.512 27.948 ( -0.250 1.451 -0.295) 1.501 36.862 ( -0.841 7.233 1.606) 7.456 37.130 ( 18.945 5.827 -6.576) 20.883 37.558 ( 7.138 8.759 6.116) 12.848 39.727 ( 1.640 17.669 -27.536) 32.758 ======================= Grid point 191 (94/294) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 8.907 9.426 4.542) 13.741 3.299 ( 4.631 28.948 7.663) 30.301 4.025 ( 21.125 0.397 -2.100) 21.233 5.075 ( -19.060 -2.233 -0.424) 19.195 5.451 ( 11.207 5.454 -4.475) 13.242 5.620 ( 7.493 5.051 -9.605) 13.188 6.316 ( 8.836 -9.616 -6.128) 14.425 6.646 ( -1.611 -6.218 5.611) 8.529 7.425 ( -6.499 19.693 -5.812) 21.537 7.612 ( -2.209 4.220 5.328) 7.147 7.993 ( -0.083 -3.633 7.407) 8.250 8.407 ( 4.428 -8.551 2.762) 10.018 10.639 ( 8.020 -3.015 6.155) 10.550 10.850 ( -10.456 4.339 -0.013) 11.321 11.499 ( -18.502 -5.768 4.936) 19.999 11.887 ( 0.689 2.456 -2.516) 3.583 12.264 ( 8.056 0.687 1.230) 8.178 12.585 ( -1.733 -2.233 -1.498) 3.199 18.359 ( -6.315 2.976 -0.298) 6.988 18.524 ( -4.233 -7.079 -2.422) 8.597 18.740 ( -4.700 0.188 -1.127) 4.837 18.876 ( 10.361 -5.784 -0.773) 11.891 20.951 ( -0.979 -1.507 2.547) 3.117 21.109 ( -2.781 -4.261 2.115) 5.510 27.852 ( 1.343 1.364 -0.310) 1.940 27.955 ( -0.444 1.400 -0.712) 1.632 36.901 ( -4.505 10.553 0.841) 11.505 37.459 ( 16.870 2.154 -8.303) 18.925 37.792 ( 8.040 4.552 7.871) 12.138 39.774 ( 2.732 9.248 -16.877) 19.437 ======================= Grid point 192 (95/294) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 6.402 2.395 -9.621) 11.802 3.556 ( -7.908 21.255 4.835) 23.189 4.392 ( 22.423 -8.581 2.367) 24.125 4.851 ( -5.848 4.214 3.604) 8.059 5.667 ( 7.582 11.920 -7.382) 15.940 5.797 ( 6.919 3.806 -6.849) 10.453 6.273 ( 8.915 -10.784 1.092) 14.034 6.522 ( -9.538 -5.467 -3.528) 11.546 7.399 ( -9.830 11.477 -7.548) 16.892 7.658 ( -2.894 3.150 12.327) 13.048 7.949 ( -5.111 -0.622 4.463) 6.813 8.401 ( 2.986 -6.643 2.985) 7.871 10.674 ( -8.918 1.551 1.222) 9.134 10.814 ( 6.103 -1.579 4.465) 7.725 11.277 ( -4.559 -6.208 3.380) 8.411 11.909 ( 0.862 2.085 -0.073) 2.258 12.357 ( 2.594 -0.396 -0.513) 2.673 12.540 ( -1.322 -1.286 -0.613) 1.943 18.307 ( -3.319 3.830 0.808) 5.132 18.390 ( -3.779 -4.017 -1.063) 5.616 18.682 ( -0.779 -0.282 -1.651) 1.848 18.965 ( 6.593 -5.024 -1.424) 8.411 20.945 ( -0.058 -0.199 0.954) 0.976 21.034 ( -2.593 -3.054 1.069) 4.146 27.896 ( 1.867 1.720 0.489) 2.585 27.948 ( -1.266 1.035 -0.820) 1.830 36.931 ( -5.056 11.306 0.580) 12.398 37.627 ( 5.707 -0.772 -3.682) 6.835 37.987 ( 7.644 1.815 0.088) 7.857 39.854 ( 6.787 3.736 -6.696) 10.240 ======================= Grid point 193 (96/294) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( -1.610 -2.602 -12.941) 13.298 3.510 ( -16.156 12.494 -1.318) 20.466 4.574 ( 9.773 -11.873 2.518) 15.582 5.015 ( 10.732 9.399 5.633) 15.338 5.690 ( -6.320 -5.585 -11.187) 14.010 5.884 ( 9.762 3.930 -7.008) 12.643 6.166 ( -14.248 -5.982 0.022) 15.452 6.611 ( 13.252 12.060 8.719) 19.927 7.253 ( -11.911 4.842 -4.134) 13.506 7.674 ( -4.348 -0.935 11.469) 12.301 7.939 ( 2.396 3.330 0.906) 4.201 8.380 ( -1.196 -5.453 1.723) 5.843 10.521 ( -10.492 3.177 -3.301) 11.448 10.884 ( 1.581 -3.664 4.094) 5.717 11.233 ( 6.097 -8.335 2.669) 10.666 11.968 ( 2.899 1.413 2.054) 3.823 12.348 ( -2.977 0.454 -0.962) 3.161 12.514 ( 0.993 -1.924 0.169) 2.172 18.313 ( -1.052 -1.701 -0.331) 2.027 18.336 ( -0.270 5.873 2.334) 6.326 18.689 ( 2.818 -0.321 -1.920) 3.425 18.986 ( 2.956 -5.039 -2.393) 6.313 20.935 ( -1.844 -0.862 -0.069) 2.036 20.990 ( 0.084 -0.781 0.723) 1.068 27.923 ( -1.808 0.360 -0.741) 1.987 27.948 ( 1.567 1.672 0.930) 2.473 36.953 ( -6.015 11.554 0.465) 13.034 37.616 ( -2.520 -5.556 2.650) 6.652 38.064 ( 2.012 1.450 -9.184) 9.513 40.016 ( 11.374 0.721 0.216) 11.399 ======================= Grid point 194 (97/294) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.774 ( -14.668 -1.839 -4.951) 15.590 3.331 ( -11.913 7.022 -6.211) 15.159 4.514 ( -2.146 -14.336 -2.826) 14.769 5.257 ( -2.121 7.236 6.208) 9.767 5.533 ( 3.524 -4.832 -5.476) 8.109 5.961 ( 7.390 -4.154 3.320) 9.105 6.059 ( 1.019 8.306 -11.048) 13.859 6.744 ( -17.767 4.176 7.269) 19.646 7.197 ( 3.347 3.760 2.144) 5.472 7.627 ( -6.103 -0.300 10.164) 11.860 8.069 ( 5.558 5.414 -2.583) 8.178 8.257 ( -5.533 -7.000 -1.458) 9.041 10.382 ( -5.628 3.620 -3.713) 7.652 10.883 ( 0.290 -0.046 2.449) 2.467 11.332 ( 12.957 -9.483 4.677) 16.724 12.020 ( 1.312 -1.604 1.520) 2.570 12.266 ( -6.318 0.485 -0.813) 6.389 12.548 ( 3.986 -0.687 0.679) 4.101 18.318 ( 2.437 -0.456 1.717) 3.016 18.424 ( 1.204 6.808 1.994) 7.195 18.744 ( 5.058 -0.692 -1.857) 5.432 18.955 ( 1.123 -4.026 -4.042) 5.814 20.880 ( -2.938 -0.951 0.287) 3.101 21.012 ( 1.900 0.308 0.204) 1.936 27.889 ( -1.812 -0.120 -0.356) 1.851 27.986 ( 0.606 1.127 0.575) 1.403 36.954 ( -7.142 10.673 0.261) 12.844 37.478 ( -7.767 -8.398 6.471) 13.143 37.995 ( -4.377 1.006 -12.588) 13.365 40.239 ( 13.354 -0.349 0.963) 13.393 ======================= Grid point 195 (98/294) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -24.444 1.360 2.571) 24.617 3.141 ( -16.134 2.330 -3.661) 16.707 4.246 ( -6.863 -13.021 -6.083) 15.926 5.292 ( -1.583 7.021 4.347) 8.408 5.510 ( -0.721 -2.505 -0.207) 2.615 6.046 ( -0.429 1.430 -10.809) 10.912 6.169 ( -12.256 -0.083 7.501) 14.370 6.439 ( 1.632 2.622 -3.872) 4.953 7.261 ( -0.885 -3.524 8.200) 8.969 7.599 ( -4.130 4.710 7.864) 10.054 8.047 ( -10.047 -4.205 -2.654) 11.210 8.158 ( 1.652 2.259 -4.498) 5.297 10.386 ( 1.701 4.190 -0.786) 4.590 10.949 ( 3.989 4.517 -0.984) 6.106 11.536 ( 18.624 -10.546 7.660) 22.733 11.992 ( -2.725 -2.100 1.126) 3.620 12.141 ( -6.818 -1.251 -1.532) 7.099 12.628 ( 4.906 0.336 0.105) 4.918 18.389 ( 5.461 -3.097 2.990) 6.954 18.517 ( 0.568 6.912 2.092) 7.244 18.820 ( 5.724 -0.972 -1.920) 6.116 18.925 ( 1.635 -0.388 -6.136) 6.362 20.828 ( -2.685 -0.366 1.603) 3.149 21.055 ( 2.482 0.332 0.327) 2.526 27.861 ( -0.876 -0.366 -0.097) 0.955 27.993 ( -0.869 0.506 -0.192) 1.024 36.915 ( -7.407 5.626 0.224) 9.304 37.282 ( -11.079 -4.057 7.682) 14.079 37.819 ( -9.419 0.218 -10.951) 14.446 40.446 ( 11.816 -1.179 -4.731) 12.782 ======================= Grid point 196 (99/294) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( -27.061 5.260 8.528) 28.856 2.701 ( -32.071 -4.410 -1.994) 32.434 4.015 ( -9.023 -3.728 -6.141) 11.534 5.326 ( -6.477 -0.530 3.631) 7.444 5.488 ( -1.750 1.405 -3.549) 4.199 5.622 ( -34.180 5.103 11.109) 36.300 6.047 ( 9.015 -1.775 -12.731) 15.700 6.726 ( 10.758 2.195 -0.134) 10.981 7.258 ( 3.704 -4.337 7.009) 9.036 7.641 ( -5.759 5.385 3.275) 8.538 7.798 ( -6.017 -5.523 -0.185) 8.169 8.192 ( -1.608 6.460 1.818) 6.901 10.471 ( 3.284 4.929 -0.758) 5.971 11.043 ( 3.076 2.271 -5.278) 6.518 11.746 ( 12.069 -17.533 6.196) 22.168 11.922 ( -10.509 4.209 5.442) 12.561 12.078 ( 9.925 -1.190 -4.792) 11.085 12.715 ( 5.332 -0.293 -0.738) 5.391 18.428 ( 4.096 -8.728 2.404) 9.936 18.624 ( 2.006 7.874 2.211) 8.421 18.891 ( 4.593 -1.827 -1.247) 5.098 18.950 ( 3.456 4.257 -7.731) 9.479 20.807 ( -1.175 0.088 4.819) 4.962 21.106 ( 2.784 0.109 1.172) 3.023 27.854 ( 0.532 -0.297 -0.154) 0.629 27.967 ( -2.015 0.015 -0.888) 2.202 36.803 ( -6.237 -5.303 1.822) 8.386 37.143 ( -12.353 10.722 5.804) 17.356 37.575 ( -13.037 -0.843 -6.981) 14.812 40.531 ( 5.910 -2.866 -17.644) 18.827 ======================= Grid point 199 (100/294) ======================= q-point: ( 0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -5.738 21.100 23.884) 32.382 2.471 ( -9.667 41.649 6.314) 43.220 3.525 ( -26.346 18.779 -2.274) 32.434 4.800 ( -12.556 4.193 0.976) 13.274 5.074 ( 2.980 -9.799 0.238) 10.245 5.808 ( -9.239 -7.649 -8.486) 14.693 6.360 ( 9.784 4.035 8.541) 13.600 6.911 ( 9.237 8.915 -0.490) 12.847 7.235 ( -4.565 11.082 1.942) 12.142 7.483 ( -2.013 -5.847 -7.101) 9.417 7.748 ( -8.878 -8.654 6.990) 14.233 8.281 ( -9.981 -2.780 2.261) 10.604 10.698 ( 5.664 -6.159 0.891) 8.415 11.326 ( 2.377 13.706 0.492) 13.919 11.472 ( -0.337 1.328 -5.603) 5.768 11.621 ( -5.185 -5.509 3.065) 8.163 12.337 ( 13.694 -1.940 -1.598) 13.922 12.809 ( 8.289 -4.438 0.372) 9.410 18.434 ( 4.938 -3.346 -2.083) 6.318 18.522 ( -1.968 -4.925 0.286) 5.311 18.975 ( 3.963 -0.870 -1.322) 4.267 19.077 ( -1.742 -0.602 -2.997) 3.519 21.008 ( 5.076 -6.218 8.605) 11.768 21.246 ( 3.723 -4.555 6.669) 8.892 27.824 ( -0.435 -0.988 -1.619) 1.946 27.950 ( 0.768 1.495 0.074) 1.683 36.644 ( 2.618 6.498 -3.072) 7.649 36.812 ( -19.146 -4.096 1.530) 19.639 37.681 ( -12.926 17.532 5.291) 22.416 39.655 ( -9.867 21.768 -44.576) 50.579 ======================= Grid point 200 (101/294) ======================= q-point: ( 0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -6.287 23.249 15.922) 28.871 2.807 ( -10.864 25.524 14.483) 31.293 3.509 ( 0.930 34.336 2.743) 34.458 4.676 ( -7.891 5.216 -6.292) 11.361 5.039 ( 4.266 -4.889 1.285) 6.614 5.569 ( -3.997 -5.968 -4.565) 8.511 6.536 ( 2.864 -3.417 2.185) 4.965 7.073 ( -7.869 -11.813 -10.334) 17.558 7.234 ( 11.483 7.870 6.301) 15.281 7.406 ( -3.096 8.520 4.551) 10.143 7.605 ( -7.803 7.937 3.386) 11.634 8.129 ( -5.354 -4.251 2.010) 7.125 10.737 ( 0.834 -3.059 0.800) 3.271 11.171 ( -10.290 0.014 -6.903) 12.391 11.461 ( 0.524 -1.038 5.662) 5.780 11.731 ( 1.829 11.396 1.050) 11.589 12.532 ( 11.612 -7.142 -4.654) 14.406 12.951 ( 11.319 -5.241 1.527) 12.566 18.323 ( -1.690 -8.916 -0.744) 9.106 18.586 ( 4.196 1.854 -1.535) 4.837 18.992 ( -3.202 -4.809 -2.609) 6.339 19.010 ( 1.306 -0.421 -0.520) 1.467 21.049 ( 2.925 -7.806 7.113) 10.958 21.275 ( 2.011 -7.308 7.363) 10.567 27.804 ( 0.182 -1.040 -1.250) 1.636 27.970 ( -0.242 1.463 -0.185) 1.495 36.490 ( -11.247 0.944 -1.025) 11.333 36.828 ( 6.684 10.812 -2.065) 12.878 37.595 ( -15.984 13.132 3.513) 20.983 39.614 ( -1.367 30.652 -39.531) 50.041 ======================= Grid point 201 (102/294) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -1.387 20.909 13.496) 24.924 2.814 ( -12.840 17.174 11.884) 24.516 3.887 ( -1.284 19.254 -6.885) 20.488 4.650 ( 7.707 6.396 -4.981) 11.186 5.218 ( 10.332 7.232 4.890) 13.526 5.525 ( 5.324 0.088 -0.757) 5.378 6.312 ( -19.222 -4.345 -3.107) 19.950 6.860 ( 0.907 -14.123 -4.556) 14.868 7.397 ( 12.091 -10.243 -5.098) 16.646 7.599 ( -2.191 20.692 5.767) 21.592 7.680 ( -2.419 16.931 11.033) 20.353 8.046 ( 0.969 -4.111 2.173) 4.750 10.629 ( -7.452 -2.800 1.176) 8.047 11.104 ( 0.712 -0.008 0.916) 1.160 11.538 ( 5.178 4.478 1.995) 7.131 11.854 ( 1.656 7.726 0.347) 7.909 12.534 ( 1.760 -8.361 -5.869) 10.365 12.959 ( -4.351 -9.658 -0.022) 10.593 18.281 ( 6.400 -6.344 -0.415) 9.021 18.628 ( -0.276 1.779 -1.894) 2.613 18.848 ( -4.518 -7.674 -2.794) 9.333 19.007 ( -1.441 -0.450 0.540) 1.603 21.034 ( 0.200 -6.756 5.533) 8.734 21.248 ( -0.338 -7.551 5.867) 9.568 27.798 ( 0.758 -0.349 -1.058) 1.347 27.971 ( -0.950 1.336 -0.386) 1.685 36.454 ( 4.809 3.307 -0.811) 5.893 37.052 ( 5.392 12.832 -1.640) 14.015 37.495 ( -9.998 11.737 2.577) 15.632 39.716 ( 0.346 26.142 -31.933) 41.271 ======================= Grid point 202 (103/294) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 0.547 10.908 14.362) 18.044 2.944 ( 4.367 14.333 9.246) 17.607 3.880 ( -6.208 16.277 -10.374) 20.276 4.902 ( 15.247 3.076 -6.812) 16.980 5.365 ( 4.652 -2.968 0.496) 5.541 5.727 ( -1.567 -1.146 -1.091) 2.227 6.021 ( -5.035 15.033 -2.526) 16.054 6.699 ( -1.421 -13.791 0.883) 13.892 7.488 ( 9.788 -5.943 -1.151) 11.508 7.713 ( -7.813 21.856 -4.130) 23.575 7.835 ( 3.333 1.331 7.515) 8.328 8.155 ( 7.286 1.817 8.501) 11.343 10.528 ( -2.021 -3.132 4.349) 5.727 11.103 ( -3.600 1.144 4.059) 5.544 11.732 ( 8.017 7.856 -1.723) 11.356 11.960 ( 4.897 2.993 0.962) 5.819 12.337 ( -14.147 -8.992 -4.807) 17.439 12.702 ( -8.813 -8.718 -0.384) 12.403 18.388 ( 10.881 -3.201 -2.691) 11.657 18.607 ( -2.430 0.633 0.274) 2.526 18.667 ( -4.646 -9.229 -2.604) 10.655 18.953 ( -4.833 -0.257 0.794) 4.904 20.994 ( -0.991 -4.353 3.869) 5.908 21.186 ( -1.549 -6.424 3.795) 7.621 27.812 ( 1.103 0.791 -0.865) 1.609 27.967 ( -0.626 1.196 -0.530) 1.450 36.662 ( 15.509 1.538 -1.456) 15.653 37.197 ( -2.948 14.605 -1.901) 15.020 37.562 ( 3.478 8.654 4.612) 10.405 39.781 ( -1.582 18.420 -24.156) 30.419 ======================= Grid point 203 (104/294) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 1.348 5.178 9.617) 11.005 3.327 ( 19.437 9.136 10.155) 23.757 3.965 ( -2.879 20.708 -3.647) 21.223 5.142 ( 15.288 -0.290 -7.316) 16.951 5.423 ( -12.207 -2.528 1.682) 12.579 5.457 ( 4.436 0.707 -6.481) 7.886 6.139 ( -0.324 1.202 -11.107) 11.176 6.623 ( 1.045 -3.235 3.377) 4.792 7.599 ( 8.188 -5.952 3.843) 10.827 7.742 ( -9.588 19.492 -3.768) 22.047 7.956 ( 6.555 0.790 5.056) 8.316 8.289 ( 1.680 -1.088 5.578) 5.926 10.539 ( 3.840 -4.266 6.291) 8.516 11.049 ( -7.318 3.069 3.661) 8.739 11.798 ( -14.688 -3.614 -1.618) 15.212 11.937 ( -8.109 -0.590 1.701) 8.306 12.120 ( 9.376 2.275 -1.177) 9.719 12.563 ( -0.802 -4.084 -2.149) 4.683 18.467 ( 0.214 1.356 -7.373) 7.499 18.478 ( -4.518 -7.924 -0.370) 9.129 18.646 ( 8.052 -4.171 3.152) 9.600 18.855 ( -6.768 0.709 0.951) 6.871 20.962 ( -0.815 -2.064 2.271) 3.175 21.114 ( -1.932 -4.974 2.088) 5.730 27.841 ( 1.317 1.605 -0.405) 2.115 27.969 ( -0.156 1.074 -0.684) 1.283 36.925 ( 12.919 0.169 -1.184) 12.974 37.289 ( 1.115 14.091 -5.560) 15.189 37.764 ( 6.792 4.859 8.484) 11.904 39.786 ( -2.106 11.393 -16.434) 20.107 ======================= Grid point 204 (105/294) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 0.607 5.439 0.528) 5.498 3.811 ( 17.888 7.571 9.995) 21.845 4.081 ( -1.972 11.433 1.221) 11.666 5.085 ( -14.133 0.915 4.962) 15.006 5.448 ( 15.532 -1.500 -4.101) 16.134 5.708 ( 18.745 10.395 -8.253) 22.968 5.984 ( -1.599 -9.753 -10.126) 14.150 6.576 ( -5.064 -2.073 -5.438) 7.715 7.625 ( -3.270 -0.938 2.350) 4.135 7.763 ( -3.886 7.673 3.065) 9.130 8.097 ( -2.606 8.024 4.909) 9.761 8.260 ( 2.634 -8.351 1.193) 8.837 10.625 ( 7.269 -5.054 6.575) 11.027 10.951 ( -10.237 4.704 1.730) 11.398 11.411 ( -15.862 -6.914 2.309) 17.457 11.938 ( -0.823 3.159 1.045) 3.428 12.263 ( 6.441 0.071 -2.157) 6.793 12.528 ( 0.481 -2.219 -1.568) 2.759 18.355 ( -0.434 -6.655 -0.582) 6.694 18.411 ( -4.738 2.702 -3.659) 6.568 18.726 ( -0.207 -2.420 0.108) 2.432 18.807 ( 3.259 0.157 1.571) 3.621 20.949 ( -0.227 -0.549 0.998) 1.162 21.046 ( -2.010 -3.522 1.018) 4.181 27.884 ( 1.741 1.771 0.175) 2.490 27.970 ( -0.540 0.854 -0.742) 1.254 37.072 ( 2.542 4.941 0.344) 5.567 37.446 ( 8.364 5.357 -8.407) 13.013 37.950 ( 4.414 3.490 8.499) 10.193 39.786 ( 0.910 5.384 -8.876) 10.421 ======================= Grid point 205 (106/294) ======================= q-point: ( 0.67 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -4.182 6.677 -5.786) 9.775 3.988 ( -17.323 16.570 4.876) 24.463 4.227 ( 16.752 -9.056 0.752) 19.058 5.023 ( 1.227 5.225 8.761) 10.274 5.527 ( 3.023 -14.629 -5.734) 16.001 5.856 ( -0.241 5.880 -7.287) 9.367 6.247 ( 23.795 7.305 -1.686) 24.948 6.394 ( -1.611 -0.487 -6.994) 7.194 7.514 ( -12.574 3.696 -0.143) 13.106 7.759 ( -1.683 -3.511 7.015) 8.023 8.024 ( -7.862 2.294 3.667) 8.973 8.311 ( 4.458 -3.206 0.018) 5.491 10.717 ( -2.014 1.164 3.114) 3.887 10.832 ( -3.598 1.278 0.196) 3.823 11.165 ( -6.130 -8.090 2.436) 10.438 11.968 ( 0.485 2.009 1.738) 2.700 12.332 ( 3.421 -0.007 -2.102) 4.016 12.497 ( -0.740 -2.882 -0.202) 2.982 18.313 ( -0.338 -2.485 -1.055) 2.721 18.362 ( 0.030 0.819 0.283) 0.867 18.691 ( -1.795 1.774 -0.596) 2.593 18.876 ( 3.834 -2.078 -0.277) 4.370 20.949 ( -0.291 0.099 0.064) 0.314 20.990 ( -1.361 -2.135 0.662) 2.617 27.933 ( 1.609 1.465 0.341) 2.202 27.957 ( -1.117 0.375 -0.443) 1.259 37.137 ( -2.450 7.888 0.357) 8.267 37.547 ( 5.498 -3.257 -3.434) 7.255 38.054 ( -0.479 4.748 1.117) 4.901 39.853 ( 6.962 1.080 -2.644) 7.525 ======================= Grid point 206 (107/294) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -8.040 7.969 -3.861) 11.960 3.776 ( -23.380 14.333 0.567) 27.429 4.327 ( 6.404 -11.885 -2.454) 13.722 5.285 ( 14.589 1.049 5.435) 15.604 5.330 ( -2.023 -8.449 -4.058) 9.588 5.851 ( 0.095 -1.936 -2.141) 2.888 6.207 ( -8.068 7.200 -3.480) 11.360 6.856 ( 19.695 7.059 -0.065) 20.922 7.279 ( -13.414 -0.341 0.515) 13.428 7.741 ( -1.452 -3.083 9.254) 9.862 7.986 ( 0.660 -0.920 0.587) 1.275 8.288 ( -2.788 -2.192 -2.273) 4.212 10.564 ( -12.295 5.172 -4.191) 13.982 10.886 ( 1.380 0.504 2.578) 2.967 11.080 ( 5.621 -9.615 3.648) 11.720 12.002 ( 1.061 0.264 0.612) 1.253 12.351 ( -2.096 1.211 -1.230) 2.715 12.475 ( 2.806 -2.966 1.533) 4.361 18.283 ( -0.019 -1.249 0.294) 1.284 18.425 ( 4.853 -0.007 1.378) 5.045 18.699 ( 0.558 2.389 -0.787) 2.576 18.893 ( 0.953 -0.365 -2.469) 2.671 20.920 ( -2.405 -0.439 0.221) 2.455 20.986 ( 1.373 -0.317 0.238) 1.429 27.920 ( -2.144 -0.080 -0.222) 2.156 27.981 ( 1.506 0.769 0.231) 1.707 37.136 ( -5.223 4.016 -0.209) 6.592 37.552 ( -0.731 -3.094 4.746) 5.713 38.032 ( -5.390 4.551 -7.087) 10.000 40.012 ( 11.808 -0.664 -0.835) 11.857 ======================= Grid point 207 (108/294) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -16.076 7.216 1.900) 17.724 3.551 ( -21.208 15.468 0.387) 26.252 4.197 ( -3.484 -10.388 -5.102) 12.086 5.188 ( 6.377 -11.351 -7.108) 14.834 5.574 ( 0.731 6.381 6.918) 9.440 5.957 ( 13.631 2.860 0.114) 13.929 6.116 ( -3.970 2.235 -2.924) 5.413 6.796 ( -21.316 -2.437 -0.223) 21.456 7.277 ( 2.895 0.970 4.091) 5.105 7.734 ( -3.128 0.096 8.666) 9.213 7.971 ( 2.437 -9.079 -6.399) 11.371 8.221 ( -2.389 3.573 -0.032) 4.298 10.464 ( -4.070 7.178 -1.113) 8.327 10.901 ( 2.844 -2.138 -1.073) 3.716 11.173 ( 10.627 -8.010 5.145) 14.268 12.011 ( 0.220 0.518 -1.626) 1.721 12.275 ( -6.763 0.606 1.101) 6.878 12.543 ( 5.203 -0.714 0.873) 5.324 18.291 ( 2.589 -3.745 2.418) 5.156 18.511 ( 4.905 -1.065 0.173) 5.022 18.741 ( 2.653 0.780 -0.517) 2.813 18.903 ( 0.235 5.264 -4.395) 6.862 20.878 ( -2.485 0.071 1.112) 2.724 21.017 ( 2.265 -0.115 0.218) 2.279 27.881 ( -1.912 -0.485 0.149) 1.979 28.002 ( 0.283 0.180 -0.493) 0.596 37.028 ( -6.573 -5.144 0.799) 8.385 37.534 ( -7.085 6.367 8.935) 13.060 37.903 ( -7.873 2.445 -10.121) 13.053 40.201 ( 11.956 -1.266 -4.806) 12.948 ======================= Grid point 208 (109/294) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -22.648 7.411 7.347) 24.936 3.232 ( -29.399 5.545 -2.176) 29.996 4.096 ( -3.265 7.047 -2.910) 8.294 5.206 ( 9.833 -11.145 -5.090) 15.710 5.587 ( -6.026 4.705 1.799) 7.854 5.905 ( -4.360 -2.102 -10.934) 11.958 6.296 ( -25.214 0.591 9.737) 27.035 6.485 ( 18.629 6.032 -1.212) 19.619 7.268 ( -4.634 -4.321 7.778) 10.032 7.742 ( -0.477 -0.383 8.225) 8.247 7.812 ( -4.823 -7.552 -10.234) 13.603 8.283 ( 1.403 6.205 4.766) 7.949 10.517 ( -0.228 8.509 1.147) 8.589 10.934 ( 6.644 -6.921 -5.815) 11.219 11.304 ( 11.875 -11.512 6.484) 17.765 12.023 ( 1.212 2.670 -4.981) 5.780 12.169 ( -8.467 3.920 4.074) 10.181 12.622 ( 4.516 -0.677 -0.502) 4.594 18.300 ( 2.882 -7.400 3.129) 8.535 18.582 ( 5.698 -1.651 -0.932) 6.005 18.794 ( 3.979 -0.666 -1.471) 4.295 18.964 ( 0.430 9.510 -4.169) 10.392 20.854 ( -1.677 0.387 2.872) 3.348 21.062 ( 2.888 -0.292 0.815) 3.015 27.853 ( -0.826 -0.423 0.282) 0.970 27.989 ( -1.125 -0.279 -1.270) 1.719 36.845 ( -6.601 -9.154 2.383) 11.535 37.530 ( -10.657 14.432 8.477) 19.842 37.719 ( -9.761 0.649 -7.965) 12.615 40.308 ( 7.281 -2.308 -13.750) 15.729 ======================= Grid point 211 (110/294) ======================= q-point: ( 0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -9.877 19.368 18.607) 28.616 3.084 ( -14.433 35.226 0.933) 38.080 4.091 ( -25.914 16.176 -8.851) 31.804 4.843 ( 9.606 -12.067 -1.539) 15.500 5.043 ( -11.930 -0.896 0.344) 11.968 5.822 ( -2.321 -4.047 -9.119) 10.243 6.360 ( -1.295 -0.407 4.930) 5.114 6.813 ( 7.513 -1.206 0.249) 7.613 7.268 ( 1.076 4.406 -3.207) 5.554 7.543 ( -1.465 1.832 8.404) 8.725 7.860 ( -3.179 2.683 3.500) 5.436 8.419 ( -8.038 -6.047 0.199) 10.061 10.573 ( 4.143 -2.342 3.306) 5.795 11.213 ( 20.620 -0.068 4.290) 21.062 11.422 ( 0.876 7.654 4.254) 8.801 11.737 ( -11.326 -4.067 -6.523) 13.688 12.257 ( -1.152 0.119 0.815) 1.416 12.638 ( 5.813 -4.354 -1.753) 7.471 18.299 ( 6.120 -1.513 -1.580) 6.499 18.496 ( -0.558 -5.747 0.290) 5.782 18.877 ( 4.784 -0.749 -2.170) 5.306 19.091 ( -2.398 -1.164 -1.947) 3.301 20.942 ( 2.133 -2.438 4.950) 5.915 21.169 ( 3.726 -3.665 3.593) 6.343 27.828 ( -1.601 0.073 -1.154) 1.975 27.948 ( 1.254 1.435 -0.348) 1.937 36.653 ( 2.165 6.613 -2.405) 7.362 37.122 ( -19.063 -2.980 2.346) 19.437 38.077 ( -9.472 15.985 4.820) 19.195 39.726 ( -5.739 8.649 -29.948) 31.696 ======================= Grid point 212 (111/294) ======================= q-point: ( 0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -6.455 19.228 13.697) 24.474 3.295 ( -8.200 28.697 10.363) 31.593 3.853 ( -13.254 19.713 -6.412) 24.604 4.819 ( -3.254 -7.026 -8.515) 11.509 4.928 ( 1.043 3.280 4.729) 5.849 5.609 ( -7.775 -2.680 -7.473) 11.112 6.432 ( 7.683 -1.244 0.840) 7.829 6.950 ( 12.393 -12.824 -1.243) 17.877 7.135 ( -14.125 -3.719 -6.609) 16.032 7.629 ( -1.054 11.712 14.441) 18.623 7.882 ( -4.355 14.203 0.963) 14.887 8.229 ( -8.101 -3.535 2.221) 9.113 10.661 ( 4.628 0.221 2.598) 5.312 11.306 ( -9.390 -5.961 -7.255) 13.279 11.454 ( 1.316 -6.095 8.045) 10.179 11.754 ( 9.225 12.060 1.724) 15.282 12.280 ( 5.993 -2.643 -2.191) 6.907 12.722 ( 9.652 -4.586 0.206) 10.688 18.274 ( -2.323 -7.723 -1.405) 8.186 18.513 ( 5.081 1.347 -0.629) 5.294 18.930 ( 3.389 -3.821 -0.326) 5.118 19.010 ( -2.787 -1.650 -3.124) 4.500 20.976 ( 2.325 -3.857 4.739) 6.537 21.201 ( 2.788 -5.556 4.204) 7.504 27.799 ( -1.059 0.072 -0.899) 1.391 27.981 ( 0.707 1.666 -0.554) 1.892 36.741 ( -11.256 4.389 -1.663) 12.196 36.835 ( -1.581 6.326 0.373) 6.532 38.020 ( -15.643 11.491 4.182) 19.855 39.663 ( 1.420 17.100 -29.260) 33.921 ======================= Grid point 213 (112/294) ======================= q-point: ( 0.33 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.778 ( -5.470 13.756 5.963) 15.959 3.258 ( -18.329 11.130 6.443) 22.390 3.958 ( 1.523 9.758 -7.191) 12.217 4.681 ( -1.806 4.654 -1.616) 5.247 5.150 ( 9.785 9.324 5.773) 14.698 5.519 ( -0.349 8.521 -4.319) 9.560 6.535 ( 1.105 -1.478 3.348) 3.823 6.706 ( -13.687 -10.834 -9.805) 20.021 7.025 ( 12.441 -14.729 -2.741) 19.474 7.852 ( -0.566 15.885 12.662) 20.322 7.938 ( -5.343 7.436 -2.374) 9.459 8.138 ( -5.333 9.894 7.917) 13.748 10.686 ( -2.928 -4.605 0.605) 5.490 11.091 ( -1.752 -2.512 -0.212) 3.070 11.521 ( 3.770 1.204 4.861) 6.268 11.926 ( 0.172 7.840 -0.395) 7.852 12.343 ( 6.913 -6.288 -5.016) 10.606 12.832 ( 7.076 -7.774 0.261) 10.515 18.166 ( 0.048 -6.171 0.399) 6.184 18.606 ( 3.669 2.097 -2.134) 4.735 18.835 ( -4.349 -8.145 -2.197) 9.491 19.003 ( 1.398 0.218 -0.538) 1.513 20.989 ( 1.238 -4.115 3.828) 5.755 21.195 ( 1.169 -6.589 3.903) 7.747 27.788 ( -0.106 0.590 -0.469) 0.761 27.994 ( -0.457 1.223 -0.878) 1.573 36.535 ( -9.372 3.300 0.707) 9.961 37.038 ( 7.927 11.790 -1.240) 14.261 37.857 ( -16.058 9.774 2.488) 18.962 39.757 ( 3.671 18.401 -24.725) 31.039 ======================= Grid point 214 (113/294) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -1.779 -1.836 -4.751) 5.395 3.168 ( -7.446 8.768 13.070) 17.411 3.982 ( 2.017 7.461 -10.588) 13.109 4.800 ( 3.489 8.599 2.867) 9.713 5.273 ( 1.836 -3.403 -0.574) 3.909 5.777 ( 4.433 19.776 0.386) 20.271 6.310 ( -15.651 5.175 -4.010) 16.965 6.560 ( 3.155 -10.359 1.421) 10.922 7.138 ( 16.595 -12.067 -1.296) 20.559 7.818 ( -2.882 -5.396 -2.857) 6.752 8.015 ( -4.207 16.239 1.791) 16.871 8.303 ( -2.828 18.423 13.095) 22.780 10.545 ( -3.756 -8.058 2.697) 9.291 11.136 ( 2.727 0.302 4.434) 5.214 11.668 ( 7.437 6.948 0.092) 10.179 11.971 ( -0.793 4.401 -0.593) 4.511 12.317 ( 0.453 -6.567 -5.880) 8.826 12.743 ( -5.590 -11.310 -0.896) 12.647 18.185 ( 7.007 -3.037 0.544) 7.656 18.642 ( -3.061 -5.640 0.010) 6.417 18.652 ( -2.451 -1.573 -4.560) 5.411 19.008 ( -1.251 -0.111 0.782) 1.480 20.980 ( 0.066 -3.205 2.713) 4.200 21.156 ( -0.272 -6.273 2.915) 6.922 27.803 ( 0.759 1.435 -0.151) 1.630 27.985 ( -0.851 0.679 -1.061) 1.520 36.521 ( 3.065 3.605 -0.159) 4.734 37.276 ( 6.448 9.740 0.981) 11.722 37.735 ( -9.612 9.858 1.654) 13.868 39.851 ( 0.554 15.351 -19.143) 24.544 ======================= Grid point 215 (114/294) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.770 ( 11.146 -8.543 1.738) 14.151 3.282 ( 2.644 8.745 11.663) 14.815 4.114 ( 6.302 11.956 -7.031) 15.235 4.939 ( 3.851 5.318 -1.157) 6.667 5.279 ( 5.631 -3.300 -2.407) 6.957 5.748 ( -17.153 5.265 2.241) 18.083 6.183 ( -6.143 1.923 -9.456) 11.439 6.605 ( 2.610 4.587 1.820) 5.582 7.303 ( 15.799 -12.037 2.058) 19.968 7.786 ( 7.431 -4.380 -1.432) 8.744 8.072 ( -6.948 15.223 -1.310) 16.784 8.450 ( -6.327 13.014 8.975) 17.028 10.467 ( 1.445 -8.043 5.227) 9.700 11.175 ( -1.771 0.658 4.754) 5.115 11.867 ( 4.338 6.138 -2.561) 7.941 11.999 ( 1.773 0.795 0.236) 1.958 12.129 ( -10.954 -5.674 -3.579) 12.846 12.534 ( -3.615 -6.582 -1.799) 7.722 18.311 ( 8.518 -2.067 -2.764) 9.191 18.461 ( -2.928 -8.366 -0.414) 8.873 18.638 ( -2.439 2.018 -0.354) 3.186 18.965 ( -4.356 0.302 1.366) 4.575 20.963 ( -0.375 -1.772 1.641) 2.445 21.099 ( -1.010 -5.025 1.736) 5.412 27.836 ( 1.092 1.861 0.038) 2.158 27.975 ( -0.215 0.461 -1.026) 1.145 36.676 ( 11.726 1.382 -1.911) 11.960 37.423 ( -0.299 7.951 0.803) 7.997 37.773 ( 1.784 8.065 4.082) 9.214 39.875 ( -3.195 11.305 -13.194) 17.666 ======================= Grid point 216 (115/294) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 10.666 -1.827 8.098) 13.516 3.555 ( 14.556 5.148 7.902) 17.345 4.298 ( 2.918 10.615 -1.090) 11.063 5.063 ( 12.307 -0.934 -4.443) 13.118 5.351 ( 3.525 -5.824 -1.328) 6.936 5.537 ( -11.311 9.016 2.430) 14.667 6.014 ( -7.080 0.944 -9.357) 11.771 6.624 ( -3.948 2.926 -5.771) 7.579 7.441 ( 12.513 -13.319 4.989) 18.943 7.937 ( 9.175 0.104 0.330) 9.181 8.084 ( -5.535 12.547 -1.971) 13.855 8.411 ( -12.200 5.358 3.464) 13.767 10.487 ( 6.054 -6.366 5.832) 10.545 11.142 ( -5.568 1.458 3.282) 6.626 11.648 ( -18.365 -7.499 -1.477) 19.892 11.997 ( -1.497 1.901 1.915) 3.086 12.147 ( 6.443 3.732 -3.113) 8.071 12.473 ( 1.345 -2.409 -2.383) 3.646 18.274 ( -0.117 -7.295 -3.038) 7.903 18.465 ( 1.321 1.288 -3.022) 3.540 18.635 ( 1.766 -0.593 3.294) 3.784 18.897 ( -5.066 1.819 1.763) 5.664 20.952 ( -0.241 -0.582 0.736) 0.969 21.044 ( -1.273 -3.440 0.791) 3.752 27.873 ( 1.357 1.288 0.184) 1.880 27.976 ( 0.139 0.749 -0.803) 1.107 36.896 ( 14.290 -0.440 -2.924) 14.593 37.461 ( -2.159 5.399 -1.343) 5.967 37.949 ( 5.933 5.987 6.904) 10.895 39.841 ( -4.533 7.041 -7.463) 11.217 ======================= Grid point 217 (116/294) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( 0.759 6.757 4.104) 7.942 3.882 ( 16.107 -2.057 2.636) 16.450 4.373 ( -6.424 8.058 4.684) 11.320 5.168 ( -7.189 0.306 3.797) 8.136 5.324 ( 6.379 -5.102 -4.080) 9.131 5.633 ( 20.736 -4.870 -3.934) 21.660 5.966 ( 2.372 10.180 -6.067) 12.085 6.506 ( -7.773 1.088 -3.635) 8.650 7.534 ( 8.726 -9.101 5.355) 13.699 7.944 ( -13.843 9.276 -3.713) 17.072 8.094 ( -0.042 -8.389 -1.348) 8.497 8.294 ( -3.711 5.719 2.804) 7.372 10.614 ( 9.646 -1.001 4.886) 10.860 11.047 ( -9.464 2.578 1.016) 9.862 11.276 ( -15.214 -7.161 -0.916) 16.839 11.999 ( -1.124 1.176 0.967) 1.893 12.249 ( 4.783 0.952 -1.812) 5.202 12.464 ( 0.600 -2.198 -1.569) 2.766 18.232 ( 3.242 -4.400 -0.940) 5.546 18.424 ( -4.545 1.784 -2.214) 5.361 18.688 ( 2.326 -1.394 1.275) 2.996 18.872 ( -1.660 3.259 1.838) 4.093 20.950 ( 0.130 0.024 0.083) 0.156 20.997 ( -1.443 -1.944 0.288) 2.438 27.912 ( 2.062 0.320 0.244) 2.101 27.977 ( -0.801 0.854 -0.459) 1.258 37.110 ( 11.432 0.741 -1.906) 11.614 37.443 ( -0.864 -1.761 -1.695) 2.592 38.128 ( 2.683 7.208 4.892) 9.115 39.806 ( -1.365 2.967 -2.567) 4.153 ======================= Grid point 218 (117/294) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( -5.955 11.866 1.435) 13.354 4.049 ( 8.217 -6.272 -4.787) 11.392 4.284 ( -13.863 6.817 3.391) 15.816 5.082 ( -0.643 -8.092 -2.242) 8.421 5.307 ( 2.764 1.671 3.697) 4.909 5.829 ( 2.787 -1.137 -1.764) 3.489 6.335 ( 20.459 -2.266 0.384) 20.588 6.411 ( 6.396 6.254 0.003) 8.945 7.548 ( -12.975 0.243 -1.015) 13.017 7.725 ( -0.910 -3.232 1.637) 3.736 7.995 ( -2.562 -5.591 -0.744) 6.195 8.317 ( -2.078 2.320 0.109) 3.116 10.814 ( 0.369 6.748 0.712) 6.796 10.865 ( -7.267 2.422 -1.396) 7.786 11.012 ( -5.555 -8.766 0.762) 10.406 11.993 ( -0.121 -0.418 -0.120) 0.452 12.332 ( 4.729 1.033 -0.161) 4.843 12.427 ( -0.857 -3.479 0.199) 3.588 18.267 ( 3.206 -1.732 0.036) 3.644 18.365 ( -1.514 -0.001 -0.091) 1.517 18.702 ( 0.535 -0.220 0.114) 0.590 18.902 ( -0.125 4.016 -0.059) 4.018 20.955 ( -1.154 0.707 -0.144) 1.361 20.962 ( 0.203 -1.314 0.144) 1.338 27.949 ( 1.698 -0.701 -0.179) 1.846 27.959 ( -1.416 0.695 0.178) 1.587 37.214 ( -1.817 -1.161 0.319) 2.179 37.442 ( 8.218 -4.430 -0.513) 9.350 38.199 ( -5.527 8.493 0.250) 10.136 39.850 ( 5.511 0.492 -0.057) 5.533 ======================= Grid point 219 (118/294) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -11.231 11.044 2.986) 16.032 3.972 ( -8.296 -0.863 -8.325) 11.784 4.173 ( -6.044 6.620 1.576) 9.101 4.951 ( 0.694 -9.226 -6.328) 11.209 5.556 ( 13.889 5.092 11.212) 18.562 5.841 ( 1.681 1.634 1.017) 2.555 6.254 ( -10.012 -2.434 3.191) 10.786 6.838 ( 16.079 -5.997 -7.666) 18.796 7.259 ( -7.968 -3.073 2.603) 8.928 7.794 ( 0.713 2.644 4.403) 5.185 7.865 ( -2.883 -8.344 -4.440) 9.882 8.280 ( -2.664 1.381 0.216) 3.009 10.629 ( -9.141 3.462 -1.944) 9.966 10.858 ( -4.089 -5.604 0.677) 6.970 11.059 ( 7.059 6.498 0.752) 9.624 11.986 ( 0.823 -1.058 -1.911) 2.334 12.364 ( -3.079 -0.671 1.080) 3.332 12.443 ( 6.159 -0.982 1.732) 6.473 18.264 ( -1.114 -2.140 1.978) 3.120 18.394 ( 4.862 -2.263 -0.627) 5.399 18.713 ( 0.922 0.127 -0.416) 1.019 18.949 ( 0.416 6.698 -1.859) 6.964 20.925 ( -2.148 0.496 0.589) 2.282 20.979 ( 1.824 -0.443 -0.146) 1.882 27.918 ( -2.506 -0.220 0.333) 2.538 27.980 ( 1.591 -0.779 -0.464) 1.832 37.076 ( -6.614 -8.744 1.889) 11.126 37.584 ( 7.606 0.851 1.021) 7.722 38.120 ( -12.140 9.004 -2.111) 15.261 39.985 ( 9.512 -0.105 -2.061) 9.734 ======================= Grid point 220 (119/294) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( -17.078 5.935 6.619) 19.253 3.686 ( -19.070 2.427 -10.599) 21.952 4.258 ( -0.674 16.948 3.679) 17.356 4.905 ( 6.438 -6.411 -5.268) 10.502 5.762 ( -5.005 6.118 4.631) 9.161 5.956 ( -6.492 -6.446 1.949) 9.353 6.141 ( 17.481 2.823 1.149) 17.745 6.650 ( -12.933 -9.915 -5.042) 17.059 7.313 ( 4.126 -2.984 7.042) 8.690 7.669 ( -3.313 -10.749 -5.883) 12.694 7.823 ( -1.849 0.902 0.690) 2.170 8.310 ( 2.488 3.426 3.055) 5.221 10.602 ( 1.303 2.078 1.540) 2.896 10.752 ( -2.248 -4.842 0.613) 5.373 11.211 ( 3.173 6.081 -0.235) 6.863 11.985 ( 1.690 -0.154 -4.047) 4.388 12.312 ( -3.557 0.095 3.149) 4.751 12.541 ( 4.557 0.074 0.570) 4.593 18.228 ( -0.146 -5.260 3.113) 6.114 18.448 ( 5.275 -3.023 -1.736) 6.323 18.736 ( 1.895 0.888 -1.531) 2.593 19.028 ( 1.041 8.038 -2.066) 8.364 20.901 ( -1.917 0.755 1.474) 2.533 21.012 ( 2.653 -0.642 0.286) 2.744 27.877 ( -2.030 -0.230 0.645) 2.142 27.983 ( 0.318 -1.054 -1.209) 1.635 36.878 ( -6.574 -9.768 2.582) 12.054 37.680 ( 1.607 0.021 -0.033) 1.608 37.991 ( -13.121 12.572 0.304) 18.175 40.108 ( 7.231 -0.681 -8.050) 10.843 ======================= Grid point 223 (120/294) ======================= q-point: ( 0.17 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -8.193 14.652 11.942) 20.601 3.642 ( -13.247 29.118 -2.841) 32.116 4.520 ( -0.934 -8.498 -4.799) 9.804 4.669 ( -14.559 11.361 -9.033) 20.558 5.243 ( -14.534 -3.062 3.130) 15.179 5.698 ( 7.002 0.754 -7.239) 10.100 6.377 ( -5.123 -9.332 -3.004) 11.061 6.625 ( 7.461 -9.071 0.838) 11.775 7.309 ( 9.371 8.142 2.677) 12.699 7.551 ( 0.347 -1.398 9.846) 9.951 7.963 ( 0.202 9.596 0.544) 9.614 8.408 ( -1.187 -9.688 -0.377) 9.767 10.551 ( 3.229 2.931 5.328) 6.885 10.978 ( 8.298 -0.404 5.556) 9.995 11.490 ( 0.707 3.318 4.968) 6.016 11.829 ( -6.409 -1.148 -4.889) 8.142 12.276 ( -1.036 -2.425 0.351) 2.660 12.525 ( 1.262 -3.369 -2.700) 4.499 18.194 ( 4.564 0.165 -0.889) 4.653 18.430 ( 2.108 -4.330 0.127) 4.817 18.797 ( 2.282 -0.482 -1.973) 3.055 19.114 ( -2.741 -1.651 -1.318) 3.461 20.928 ( 0.188 -0.506 2.355) 2.416 21.086 ( 3.607 -3.112 1.770) 5.082 27.868 ( -2.516 1.269 -0.302) 2.834 27.930 ( 1.815 0.727 -0.618) 2.050 36.670 ( 1.983 6.176 -2.213) 6.853 37.408 ( -14.769 -1.385 3.110) 15.157 38.317 ( -1.085 9.898 -0.497) 9.970 39.778 ( -8.481 3.637 -15.295) 17.864 ======================= Grid point 224 (121/294) ======================= q-point: ( 0.25 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( -7.160 15.477 7.738) 18.726 3.751 ( -8.430 23.657 8.745) 26.593 4.249 ( -16.188 6.974 -9.326) 19.942 4.705 ( 3.326 3.928 -0.340) 5.159 5.053 ( -8.542 2.717 0.999) 9.019 5.648 ( -4.412 -2.872 -9.154) 10.560 6.248 ( 5.987 -6.270 -9.122) 12.584 6.636 ( 7.246 -14.441 0.378) 16.162 7.393 ( -15.374 2.814 4.071) 16.151 7.701 ( 12.227 6.516 11.025) 17.706 8.056 ( -1.564 12.816 -1.499) 12.997 8.283 ( -2.059 -6.992 0.790) 7.331 10.664 ( 1.055 5.395 5.349) 7.670 11.188 ( 11.788 -3.930 2.465) 12.668 11.426 ( -5.704 -12.418 2.212) 13.844 11.795 ( 1.254 11.803 1.842) 12.011 12.225 ( -1.121 -2.564 -2.025) 3.455 12.543 ( 6.022 -3.487 -1.252) 7.071 18.232 ( 0.004 -2.974 -1.225) 3.216 18.436 ( 3.866 -1.017 -0.239) 4.005 18.827 ( 3.617 -2.965 -0.904) 4.764 19.030 ( -3.271 -2.220 -2.249) 4.548 20.943 ( 0.920 -1.312 2.560) 3.020 21.117 ( 3.077 -4.392 2.153) 5.778 27.834 ( -2.444 1.301 -0.325) 2.788 27.971 ( 1.762 1.312 -0.707) 2.308 36.805 ( 4.737 11.249 -2.584) 12.476 37.113 ( -19.025 -0.734 2.647) 19.222 38.342 ( -7.703 7.065 1.535) 10.564 39.652 ( -1.567 8.829 -18.017) 20.125 ======================= Grid point 225 (122/294) ======================= q-point: ( 0.33 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( -8.473 6.516 -1.161) 10.752 3.729 ( -19.723 8.033 6.152) 22.167 4.069 ( -9.160 6.673 -4.172) 12.077 4.747 ( -2.629 6.061 2.128) 6.941 5.130 ( 6.557 10.212 3.649) 12.673 5.581 ( 2.227 8.675 -4.893) 10.205 6.311 ( 11.008 -4.823 -10.955) 16.262 6.617 ( 9.654 -17.003 1.094) 19.584 7.065 ( -22.615 0.001 1.133) 22.643 7.973 ( 1.727 1.696 7.452) 7.835 8.109 ( -4.164 11.471 -1.396) 12.283 8.304 ( 4.676 8.227 6.180) 11.302 10.706 ( -3.865 -1.280 2.497) 4.776 11.102 ( -4.158 -6.650 -1.333) 7.955 11.435 ( 8.466 -3.043 4.533) 10.074 11.981 ( 2.894 9.104 1.439) 9.661 12.186 ( 2.537 -3.742 -2.812) 5.324 12.629 ( 8.146 -4.882 -0.277) 9.502 18.148 ( -3.176 -4.218 0.682) 5.324 18.531 ( 5.911 1.701 -1.875) 6.430 18.801 ( -1.554 -7.594 -0.918) 7.806 18.976 ( 0.671 0.261 -1.985) 2.112 20.957 ( 0.959 -1.777 2.226) 3.005 21.124 ( 2.007 -5.255 2.173) 6.031 27.813 ( -1.533 1.640 0.108) 2.247 27.998 ( 0.546 0.888 -1.106) 1.520 36.805 ( -16.934 2.376 2.100) 17.228 37.023 ( 6.733 11.991 -1.318) 13.815 38.206 ( -14.096 4.045 1.455) 14.737 39.713 ( 5.541 12.253 -16.697) 21.439 ======================= Grid point 226 (123/294) ======================= q-point: ( 0.42 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( -11.500 -7.286 -10.988) 17.495 3.473 ( -15.386 4.359 6.531) 17.274 4.008 ( -3.610 7.419 -2.215) 8.542 4.847 ( 3.313 6.302 5.487) 8.989 5.234 ( -0.161 -1.300 -0.552) 1.421 5.907 ( 9.960 25.174 1.934) 27.141 6.326 ( 4.054 -10.075 -6.367) 12.588 6.690 ( 1.464 -1.870 3.231) 4.010 6.734 ( -3.561 -5.010 -1.664) 6.367 7.849 ( -8.505 -5.498 -2.442) 10.418 8.202 ( -1.312 10.647 1.045) 10.779 8.557 ( 3.259 14.764 8.894) 17.542 10.534 ( -5.871 -10.974 1.390) 12.523 11.106 ( 3.099 1.605 3.226) 4.752 11.586 ( 8.667 2.883 -0.461) 9.146 12.037 ( -2.192 4.175 -1.363) 4.908 12.210 ( 3.543 -2.547 -1.814) 4.725 12.658 ( 2.025 -9.062 -0.962) 9.335 18.103 ( 1.123 -1.197 1.841) 2.466 18.625 ( 3.146 0.833 -0.733) 3.336 18.640 ( -4.984 -7.494 -3.816) 9.775 19.003 ( 1.732 -0.096 0.093) 1.738 20.962 ( 0.461 -1.634 1.571) 2.313 21.105 ( 0.769 -5.260 1.810) 5.616 27.817 ( -0.307 2.042 0.511) 2.127 27.996 ( -0.598 0.193 -1.386) 1.522 36.616 ( -8.990 3.349 1.519) 9.713 37.254 ( 6.989 9.885 1.053) 12.152 38.011 ( -12.425 3.896 0.355) 13.026 39.854 ( 4.865 11.820 -12.929) 18.181 ======================= Grid point 227 (124/294) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 1.721 -8.680 -2.488) 9.192 3.389 ( -3.004 2.766 4.801) 6.302 4.062 ( 2.278 6.500 -1.883) 7.140 4.982 ( 1.856 4.399 3.850) 6.134 5.191 ( -0.103 -1.494 -2.593) 2.994 6.126 ( -11.219 13.466 2.662) 17.728 6.217 ( -3.654 -5.320 -3.780) 7.479 6.658 ( 0.593 10.268 1.871) 10.454 6.889 ( 17.341 -11.745 -0.785) 20.959 7.673 ( -1.677 -4.048 -2.874) 5.240 8.262 ( -2.504 8.138 -0.577) 8.534 8.732 ( -3.752 12.565 4.775) 13.956 10.383 ( -0.362 -10.573 3.379) 11.106 11.178 ( 2.081 -0.718 2.361) 3.228 11.787 ( 9.289 6.083 -2.799) 11.450 12.028 ( -1.541 2.931 -1.804) 3.771 12.188 ( -3.379 -2.727 -0.374) 4.358 12.523 ( -4.067 -8.497 -1.550) 9.547 18.177 ( 5.484 1.179 0.939) 5.687 18.440 ( -5.054 -8.298 -1.892) 9.899 18.677 ( 0.502 2.324 -1.207) 2.666 19.015 ( -0.680 -0.310 1.155) 1.376 20.959 ( 0.005 -0.994 0.874) 1.323 21.070 ( -0.144 -4.319 1.146) 4.471 27.843 ( 0.471 1.892 0.589) 2.037 27.977 ( -0.536 -0.004 -1.295) 1.402 36.580 ( 0.752 2.220 -0.045) 2.344 37.443 ( 4.587 4.405 3.897) 7.459 37.898 ( -5.404 5.447 -0.341) 7.680 39.953 ( 0.281 9.888 -8.206) 12.853 ======================= Grid point 228 (125/294) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.721 ( 17.909 -0.814 13.247) 22.291 3.459 ( 6.770 1.483 1.434) 7.078 4.176 ( 8.144 1.548 -3.410) 8.964 4.997 ( -2.154 -0.736 0.277) 2.293 5.218 ( 3.875 -0.552 -0.758) 3.987 5.976 ( -19.759 11.132 5.024) 23.229 6.087 ( -5.068 0.212 -5.731) 7.653 6.710 ( -4.140 5.205 -4.562) 8.065 7.051 ( 17.165 -15.235 1.211) 22.982 7.742 ( 10.203 0.730 1.401) 10.325 8.277 ( -3.438 6.928 -1.790) 7.939 8.702 ( -11.858 5.973 -1.255) 13.336 10.352 ( 4.762 -6.972 4.067) 9.372 11.181 ( 0.037 -3.209 -0.493) 3.246 11.832 ( -9.642 -5.116 -0.961) 10.957 12.021 ( 0.072 2.747 -1.822) 3.297 12.126 ( 0.397 3.966 0.298) 3.997 12.433 ( 0.009 -0.833 -1.384) 1.615 18.200 ( -1.086 -5.535 -2.968) 6.374 18.396 ( 5.086 1.471 0.643) 5.333 18.680 ( -2.128 1.736 1.110) 2.962 18.989 ( -3.013 0.366 1.671) 3.465 20.953 ( -0.147 -0.480 0.251) 0.562 21.032 ( -0.584 -2.614 0.413) 2.710 27.865 ( 0.561 0.266 0.119) 0.633 27.976 ( 0.451 1.060 -0.577) 1.288 36.671 ( 8.836 -0.001 -1.847) 9.027 37.517 ( -0.537 -0.893 4.237) 4.363 37.946 ( 3.792 6.060 1.012) 7.220 39.971 ( -4.567 7.509 -3.307) 9.390 ======================= Grid point 229 (126/294) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 11.626 3.800 13.486) 18.206 3.656 ( 12.781 0.650 0.877) 12.827 4.345 ( 12.472 -2.869 -1.278) 12.861 4.986 ( 7.793 -5.570 -1.447) 9.688 5.237 ( 0.314 -1.254 -1.878) 2.279 5.738 ( -19.138 6.896 1.530) 20.400 6.035 ( -2.355 7.119 -3.567) 8.303 6.629 ( -6.626 0.360 1.640) 6.835 7.209 ( 17.443 -11.822 0.104) 21.072 7.927 ( 7.732 -0.628 0.671) 7.787 8.265 ( -6.538 7.155 -2.526) 10.016 8.459 ( -14.183 -1.701 -4.169) 14.880 10.460 ( 9.790 0.101 3.310) 10.335 11.115 ( -1.699 -4.936 -2.992) 6.017 11.516 ( -17.570 -4.997 0.043) 18.267 12.042 ( -1.508 2.817 0.256) 3.206 12.181 ( 2.797 0.236 -1.213) 3.058 12.448 ( -0.010 2.384 -1.087) 2.620 18.136 ( 1.858 -4.114 -1.380) 4.720 18.482 ( 0.148 3.461 -2.400) 4.214 18.674 ( -0.552 0.676 3.466) 3.575 18.953 ( -2.954 1.694 1.956) 3.927 20.946 ( -0.003 -0.721 -0.281) 0.774 21.005 ( -0.901 -0.463 -0.086) 1.017 27.876 ( 1.480 -1.090 -0.137) 1.844 27.995 ( 0.016 1.527 0.014) 1.527 36.853 ( 14.097 -0.975 -2.645) 14.377 37.465 ( -3.708 -5.487 3.451) 7.468 38.120 ( 7.659 5.840 1.596) 9.763 39.922 ( -7.051 4.910 1.038) 8.655 ======================= Grid point 230 (127/294) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 3.333 4.059 2.559) 5.842 3.838 ( 8.332 -1.744 -1.859) 8.713 4.405 ( -0.614 -6.470 0.555) 6.523 5.078 ( 3.169 -5.340 -2.430) 6.668 5.296 ( 6.229 0.798 1.062) 6.369 5.619 ( 5.423 3.431 2.541) 6.902 6.084 ( 2.300 7.288 -2.986) 8.205 6.531 ( -5.999 -4.293 11.789) 13.907 7.421 ( 16.145 -4.241 -1.901) 16.800 7.908 ( -11.275 -7.237 -4.172) 14.032 8.042 ( -11.856 5.338 -4.087) 13.629 8.356 ( 0.127 -0.965 0.207) 0.995 10.706 ( 12.501 6.458 1.212) 14.123 11.006 ( -2.706 -5.353 -3.872) 7.139 11.161 ( -18.785 -1.929 -2.153) 19.006 12.014 ( -3.107 0.304 -0.232) 3.130 12.238 ( 5.256 -1.934 0.942) 5.679 12.443 ( -2.226 1.534 -0.418) 2.736 18.170 ( 4.944 -1.163 -0.015) 5.079 18.447 ( -5.169 1.992 -0.574) 5.570 18.698 ( 0.241 0.900 1.297) 1.597 18.951 ( -0.929 2.969 1.206) 3.337 20.937 ( 0.495 -1.191 -0.630) 1.435 20.989 ( -1.363 1.158 -0.222) 1.802 27.897 ( 2.443 -1.515 -0.117) 2.877 27.997 ( -1.400 0.844 0.294) 1.661 37.090 ( 14.687 -0.185 -2.336) 14.873 37.333 ( -4.018 -9.973 3.630) 11.348 38.294 ( 4.073 6.105 -0.663) 7.368 39.867 ( -4.437 2.803 4.081) 6.648 ======================= Grid point 231 (128/294) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( -0.726 0.707 -3.042) 3.206 3.871 ( 2.993 -5.293 -8.650) 10.573 4.321 ( -2.265 1.116 -0.319) 2.545 5.012 ( -7.290 3.189 0.719) 7.989 5.413 ( 9.530 -1.360 9.696) 13.663 5.820 ( 6.425 1.604 -1.249) 6.739 6.302 ( 15.188 -2.600 3.344) 15.767 6.463 ( -2.021 -4.550 9.098) 10.372 7.442 ( -13.985 -6.307 -6.594) 16.698 7.668 ( 6.157 -4.829 -3.186) 8.449 7.962 ( -6.347 6.653 -0.458) 9.206 8.325 ( -1.732 -2.699 0.757) 3.295 10.782 ( -8.928 -8.473 -3.383) 12.765 10.897 ( -4.827 -0.056 -2.534) 5.452 11.035 ( 5.808 13.673 -1.652) 14.948 11.965 ( -1.095 -1.785 -0.388) 2.129 12.319 ( 5.121 -3.738 2.557) 6.837 12.421 ( -1.347 2.667 0.553) 3.038 18.246 ( 3.403 -0.650 0.742) 3.543 18.371 ( -4.175 -0.083 1.035) 4.302 18.712 ( -0.120 1.605 -0.016) 1.610 18.987 ( 0.741 4.449 -0.763) 4.574 20.935 ( 1.066 -1.244 -0.590) 1.742 20.977 ( -1.577 1.657 -0.108) 2.290 27.924 ( 2.339 -1.415 -0.196) 2.740 27.968 ( -2.341 -0.191 0.471) 2.396 37.103 ( -6.044 -10.275 2.645) 12.211 37.384 ( 14.130 -1.363 -0.481) 14.204 38.343 ( -4.196 6.047 -2.777) 7.867 39.892 ( 1.978 2.225 4.183) 5.134 ======================= Grid point 232 (129/294) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( -5.256 -6.521 -1.053) 8.442 3.797 ( -1.438 2.669 -16.564) 16.839 4.375 ( 1.364 5.896 4.555) 7.574 4.954 ( -6.556 11.252 1.533) 13.112 5.718 ( 19.514 -3.188 16.269) 25.605 5.922 ( 3.494 4.311 1.737) 5.814 6.209 ( -15.973 -4.347 1.836) 16.656 6.493 ( 4.566 -15.984 -10.267) 19.538 7.230 ( 0.422 -3.635 5.751) 6.817 7.614 ( -1.701 -9.225 -7.420) 11.961 7.927 ( -7.181 6.036 -0.357) 9.388 8.311 ( 1.908 0.484 2.800) 3.423 10.581 ( -3.513 -6.242 -0.956) 7.226 10.833 ( -2.534 2.347 -0.225) 3.461 11.235 ( 3.105 11.074 -2.926) 11.868 11.944 ( 0.451 -0.854 -0.832) 1.275 12.330 ( 0.462 -3.741 2.115) 4.322 12.487 ( 3.479 2.835 1.451) 4.717 18.231 ( -2.867 -3.848 2.875) 5.594 18.354 ( 1.925 -0.435 -0.946) 2.189 18.730 ( 0.135 2.411 -0.781) 2.538 19.057 ( 2.154 5.455 -1.633) 6.088 20.938 ( -0.012 -0.234 0.041) 0.238 20.973 ( 0.246 0.539 0.020) 0.593 27.920 ( -2.560 -0.196 0.877) 2.713 27.947 ( 1.587 -1.630 -0.776) 2.403 36.901 ( -6.223 -10.581 2.756) 12.581 37.579 ( 8.938 -0.742 -0.849) 9.009 38.277 ( -7.939 6.939 -2.377) 10.809 39.991 ( 4.120 2.259 0.604) 4.737 ======================= Grid point 236 (130/294) ======================= q-point: ( 0.17 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( 4.252 6.259 3.672) 8.410 4.007 ( -1.556 19.303 -6.445) 20.410 4.456 ( -3.196 -3.385 9.503) 10.582 4.892 ( -11.813 -3.499 -24.204) 27.160 5.310 ( 0.372 -7.176 -1.715) 7.388 5.803 ( -12.209 8.264 -1.845) 14.858 6.316 ( 1.913 -9.459 3.345) 10.214 6.502 ( -2.095 2.531 4.765) 5.788 7.087 ( 15.233 0.737 -3.793) 15.715 7.665 ( -0.526 5.562 10.275) 11.696 8.004 ( 6.054 5.960 3.599) 9.226 8.334 ( -2.396 -8.894 -0.145) 9.212 10.511 ( 6.210 2.672 1.144) 6.857 10.923 ( 2.792 -2.675 3.420) 5.162 11.515 ( 0.158 -2.885 6.558) 7.166 11.914 ( -5.081 2.511 -0.347) 5.678 12.253 ( 0.445 -1.479 -1.463) 2.128 12.499 ( -2.774 -2.364 -2.646) 4.504 18.131 ( 3.112 0.848 -0.778) 3.318 18.376 ( 0.276 -0.749 0.464) 0.923 18.769 ( -0.339 -0.585 -0.879) 1.109 19.134 ( -2.221 -1.870 -1.248) 3.161 20.939 ( -0.248 0.045 0.578) 0.630 21.009 ( 2.579 -2.106 0.862) 3.439 27.896 ( 1.992 0.001 -0.745) 2.127 27.928 ( -2.404 1.870 0.606) 3.105 36.679 ( 2.611 5.551 -2.116) 6.490 37.617 ( -8.143 -0.037 3.396) 8.822 38.295 ( 6.848 1.177 -7.149) 9.969 39.946 ( -12.205 3.150 -2.560) 12.862 ======================= Grid point 237 (131/294) ======================= q-point: ( 0.25 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( -1.501 8.049 0.808) 8.227 4.104 ( -5.552 10.432 8.279) 14.429 4.354 ( -5.528 -2.345 -5.064) 7.855 4.782 ( 1.850 14.750 -7.134) 16.489 5.236 ( -2.017 -3.709 3.426) 5.437 5.698 ( -8.923 6.826 -7.004) 13.239 6.106 ( -7.488 -7.947 -10.682) 15.275 6.458 ( -0.839 -6.664 1.093) 6.805 7.484 ( 22.597 4.359 5.887) 23.755 7.688 ( -9.777 4.646 7.507) 13.173 8.168 ( 1.163 9.701 -0.868) 9.809 8.191 ( 1.019 -11.954 1.563) 12.099 10.693 ( 7.348 5.871 2.428) 9.713 11.010 ( 7.494 -2.120 5.489) 9.528 11.406 ( -6.290 -14.392 3.379) 16.066 11.902 ( -1.042 7.168 1.784) 7.460 12.221 ( -2.002 -0.624 -2.612) 3.349 12.443 ( 1.267 -2.284 -1.718) 3.126 18.200 ( 2.658 1.525 -1.117) 3.262 18.370 ( 1.133 -2.028 0.296) 2.342 18.756 ( 1.021 -2.049 -0.743) 2.407 19.052 ( -3.280 -2.781 -1.610) 4.592 20.940 ( -0.098 -0.097 0.985) 0.994 21.036 ( 2.820 -3.133 1.016) 4.336 27.897 ( -2.668 1.778 -0.003) 3.206 27.943 ( 2.138 0.937 -0.398) 2.368 36.818 ( 5.111 10.908 -2.086) 12.226 37.421 ( -15.343 -0.649 2.690) 15.591 38.397 ( 4.991 1.414 -4.262) 6.714 39.754 ( -10.099 4.377 -6.041) 12.555 ======================= Grid point 238 (132/294) ======================= q-point: ( 0.33 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.181 ( -9.047 0.900 -6.543) 11.201 4.076 ( -11.125 -0.439 10.614) 15.382 4.248 ( -4.359 4.605 -4.482) 7.765 4.992 ( -5.100 14.248 6.087) 16.311 5.209 ( -4.667 9.601 2.895) 11.061 5.556 ( 0.472 2.093 -4.563) 5.042 6.020 ( 9.832 1.208 -16.527) 19.269 6.371 ( 1.424 -12.026 1.544) 12.208 7.453 ( -19.417 -0.083 3.425) 19.716 7.920 ( 12.897 3.594 6.302) 14.797 8.197 ( 9.206 -3.064 2.857) 10.114 8.245 ( -0.706 7.401 -2.391) 7.810 10.818 ( -4.218 2.641 2.967) 5.794 11.062 ( -1.239 -8.363 -1.740) 8.632 11.255 ( 8.647 -6.509 4.861) 11.865 12.018 ( 4.166 5.565 3.728) 7.889 12.155 ( -3.334 0.414 -2.968) 4.482 12.476 ( 5.086 -2.167 -0.658) 5.568 18.186 ( -3.608 -1.246 0.990) 3.943 18.426 ( 6.262 0.773 -1.648) 6.521 18.742 ( 0.351 -4.492 -0.294) 4.516 18.970 ( -1.754 -1.564 -2.142) 3.180 20.944 ( 0.276 -0.371 0.995) 1.097 21.051 ( 2.213 -3.691 1.033) 4.426 27.870 ( -2.615 2.058 0.497) 3.364 27.981 ( 1.607 0.577 -0.984) 1.971 37.028 ( 6.013 12.211 -1.111) 13.657 37.144 ( -17.826 1.480 2.721) 18.093 38.384 ( -4.836 -2.099 -2.242) 5.728 39.687 ( 0.189 7.791 -7.589) 10.877 ======================= Grid point 239 (133/294) ======================= q-point: ( 0.42 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.894 ( -14.674 -6.185 -11.709) 19.766 3.814 ( -18.526 -4.162 4.413) 19.493 4.226 ( -7.587 10.510 1.094) 13.009 4.930 ( -6.880 6.173 5.889) 10.960 5.245 ( -1.287 1.056 1.173) 2.037 5.835 ( 19.486 2.975 4.088) 20.131 6.185 ( 3.927 11.097 -9.884) 15.371 6.345 ( 12.183 -7.555 -0.229) 14.337 7.126 ( -20.530 2.702 2.535) 20.861 7.946 ( -7.504 -3.360 0.675) 8.250 8.279 ( 0.647 5.101 -2.635) 5.777 8.503 ( 16.786 3.264 3.775) 17.512 10.581 ( -11.501 -11.034 1.198) 15.983 11.092 ( 3.519 2.959 0.880) 4.681 11.421 ( 11.395 0.124 -0.985) 11.438 12.086 ( -0.896 -1.766 -2.557) 3.234 12.158 ( 2.008 4.916 3.235) 6.218 12.528 ( 3.793 -4.541 -0.392) 5.930 18.127 ( -2.517 0.460 2.387) 3.499 18.544 ( 6.485 1.863 -2.070) 7.057 18.643 ( -4.957 -6.579 -1.474) 8.368 18.960 ( 2.286 -0.765 -0.730) 2.519 20.950 ( 0.336 -0.469 0.682) 0.893 21.049 ( 1.310 -3.681 0.866) 4.002 27.857 ( -1.551 2.004 0.847) 2.672 27.994 ( 0.167 0.027 -1.274) 1.285 36.874 ( -15.531 2.083 2.275) 15.834 37.257 ( 5.444 11.312 1.325) 12.623 38.202 ( -9.691 -4.045 -2.107) 10.710 39.805 ( 6.262 9.066 -6.004) 12.548 ======================= Grid point 240 (134/294) ======================= q-point: ( 0.50 0.58 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -10.303 -3.961 -4.803) 12.038 3.514 ( -11.042 -4.507 -0.633) 11.943 4.201 ( -8.098 8.504 5.811) 13.102 4.981 ( 2.640 2.174 3.491) 4.887 5.217 ( -3.175 1.762 -0.230) 3.639 6.105 ( 11.313 -7.105 -2.296) 13.555 6.231 ( 6.088 -4.883 4.178) 8.852 6.632 ( 9.733 13.980 -2.473) 17.213 6.865 ( -15.117 4.871 2.261) 16.042 7.735 ( -10.040 -2.447 -1.904) 10.508 8.319 ( 0.890 2.016 -2.022) 2.991 8.767 ( 9.551 0.742 -1.073) 9.640 10.342 ( -5.198 -8.532 1.758) 10.144 11.154 ( 1.130 0.123 -0.155) 1.147 11.646 ( 12.297 6.294 -3.943) 14.365 12.056 ( -0.340 0.771 -1.555) 1.768 12.215 ( -0.816 -0.169 2.930) 3.047 12.489 ( -1.411 -5.470 -0.636) 5.685 18.155 ( 1.527 3.820 2.728) 4.936 18.455 ( -6.924 -6.595 -2.648) 9.921 18.651 ( 4.309 2.019 -0.852) 4.835 18.996 ( 2.440 -1.108 0.648) 2.757 20.953 ( 0.182 -0.481 0.207) 0.555 21.035 ( 0.473 -2.785 0.479) 2.865 27.863 ( -0.471 1.279 0.832) 1.597 27.980 ( -0.620 0.021 -1.131) 1.290 36.686 ( -9.693 1.960 1.454) 9.995 37.438 ( 3.740 5.839 3.949) 7.979 38.009 ( -6.220 -2.998 -2.492) 7.341 39.970 ( 4.735 8.241 -2.616) 9.857 ======================= Grid point 241 (135/294) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 9.931 5.038 12.688) 16.882 3.357 ( 0.527 -5.821 -5.300) 7.890 4.176 ( -5.140 3.043 5.698) 8.255 5.010 ( -1.087 -3.209 -0.479) 3.421 5.212 ( -0.451 3.738 2.302) 4.413 6.120 ( -0.877 0.667 -3.955) 4.105 6.315 ( 1.448 -3.329 5.530) 6.615 6.693 ( -2.100 -3.051 -3.438) 5.054 6.815 ( -1.624 4.874 -0.758) 5.193 7.659 ( 2.262 3.110 2.365) 4.515 8.322 ( 0.105 -0.351 -2.979) 3.001 8.806 ( -0.189 -5.114 -7.057) 8.717 10.260 ( 1.105 -2.997 2.002) 3.770 11.134 ( -0.515 -3.008 -3.246) 4.456 11.845 ( 3.880 2.510 -3.245) 5.646 12.066 ( -1.828 1.357 -0.410) 2.313 12.161 ( -1.429 -0.774 1.984) 2.564 12.441 ( -0.561 1.668 0.348) 1.794 18.193 ( -4.053 -1.812 -1.356) 4.642 18.350 ( 2.986 2.258 0.717) 3.812 18.715 ( 0.937 1.796 0.833) 2.190 19.017 ( 0.416 -0.885 1.341) 1.659 20.948 ( 0.026 -0.894 -0.351) 0.961 21.021 ( -0.048 -0.762 -0.035) 0.764 27.862 ( -0.420 -0.708 0.053) 0.824 27.979 ( 0.330 1.275 -0.184) 1.329 36.602 ( -1.577 0.011 -0.063) 1.578 37.526 ( 0.451 -1.462 6.316) 6.498 37.932 ( 1.259 -0.454 -2.718) 3.030 40.083 ( -0.220 6.865 1.465) 7.023 ======================= Grid point 242 (136/294) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 15.607 4.763 17.234) 23.733 3.392 ( 14.899 -3.791 -3.580) 15.785 4.157 ( 0.889 -2.099 2.529) 3.405 4.909 ( -2.732 -6.630 -1.485) 7.323 5.253 ( -1.102 2.387 2.193) 3.424 6.078 ( -8.120 6.305 -5.732) 11.770 6.182 ( -12.257 1.292 3.302) 12.759 6.749 ( 7.094 -11.762 -0.098) 13.736 6.778 ( 4.644 2.826 1.403) 5.614 7.819 ( 7.332 3.519 2.984) 8.663 8.295 ( 1.182 -3.105 -3.671) 4.951 8.603 ( -8.835 -9.024 -10.662) 16.528 10.345 ( 6.917 4.313 1.788) 8.345 11.052 ( -1.313 -5.042 -5.897) 7.868 11.714 ( -11.620 -6.531 -0.111) 13.330 12.073 ( 2.433 2.050 -0.381) 3.204 12.184 ( -2.844 2.671 0.822) 3.987 12.492 ( 0.243 6.533 -0.441) 6.552 18.089 ( -1.660 -2.748 -1.275) 3.454 18.481 ( 3.896 6.225 -0.670) 7.374 18.730 ( -1.774 1.185 3.026) 3.702 19.010 ( -1.341 -0.058 1.843) 2.280 20.932 ( -0.022 -1.332 -1.001) 1.666 21.019 ( -0.408 1.284 -0.430) 1.415 27.845 ( 0.280 -1.687 -0.238) 1.726 28.005 ( 0.670 1.475 0.354) 1.658 36.638 ( 7.320 -1.635 -1.156) 7.589 37.486 ( -3.484 -7.516 6.378) 10.454 38.011 ( 8.497 0.811 -2.099) 8.790 40.109 ( -5.715 5.347 5.471) 9.549 ======================= Grid point 243 (137/294) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 8.140 -7.548 -3.461) 11.628 3.694 ( 11.157 -0.718 5.731) 12.563 4.228 ( 10.432 -6.131 0.029) 12.100 4.852 ( 5.723 -4.193 1.487) 7.249 5.248 ( -0.216 -0.677 2.145) 2.260 5.836 ( -14.523 0.113 4.094) 15.090 6.177 ( -2.249 13.025 -5.147) 14.184 6.630 ( -5.295 -9.264 10.062) 14.666 7.060 ( 18.935 -0.257 -0.535) 18.944 7.914 ( -0.124 -2.285 -1.797) 2.909 8.256 ( -2.859 -9.558 -8.126) 12.867 8.298 ( -5.362 -1.073 -3.679) 6.590 10.578 ( 10.208 8.257 0.848) 13.157 10.952 ( -0.272 -2.844 -6.923) 7.489 11.419 ( -15.423 -4.460 -1.615) 16.136 12.102 ( -5.928 -2.791 0.028) 6.552 12.149 ( 3.202 2.267 1.160) 4.091 12.523 ( -3.200 5.108 -0.612) 6.059 18.093 ( 3.442 0.579 0.247) 3.499 18.542 ( -2.624 3.843 -1.205) 4.807 18.732 ( -1.159 2.189 2.592) 3.585 19.000 ( -1.308 1.023 1.927) 2.544 20.913 ( 0.193 -1.378 -1.522) 2.063 21.024 ( -0.918 2.260 -0.608) 2.514 27.844 ( 1.628 -1.687 0.020) 2.345 28.022 ( -0.385 0.615 0.406) 0.831 36.806 ( 14.570 -1.473 -1.413) 14.713 37.341 ( -5.778 -11.573 5.911) 14.222 38.180 ( 10.885 0.642 -3.187) 11.360 40.063 ( -8.850 4.089 8.888) 13.192 ======================= Grid point 244 (138/294) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 7.690 -13.859 -10.413) 18.964 3.723 ( 2.216 -8.189 -7.624) 11.406 4.330 ( 5.410 1.602 0.721) 5.688 4.989 ( 8.225 -5.939 6.709) 12.163 5.297 ( 5.997 -4.918 6.683) 10.237 5.765 ( -0.219 5.358 6.275) 8.254 6.248 ( -1.794 13.331 -2.277) 13.642 6.530 ( -2.061 -9.363 11.519) 14.987 7.326 ( 11.351 -1.371 -4.050) 12.129 7.682 ( -11.618 -10.666 -7.171) 17.325 8.132 ( -3.665 7.445 -1.245) 8.391 8.271 ( 2.188 -6.998 -0.868) 7.384 10.684 ( 1.697 -7.915 -5.530) 9.804 11.034 ( -0.269 11.695 -3.038) 12.086 11.119 ( -8.672 3.252 -3.147) 9.782 11.972 ( -3.050 -5.571 0.989) 6.427 12.229 ( 3.687 -0.210 1.612) 4.029 12.499 ( -3.742 3.668 0.720) 5.289 18.191 ( 4.363 2.747 1.215) 5.297 18.475 ( -6.287 -0.095 1.287) 6.418 18.751 ( -1.192 3.725 0.163) 3.914 19.011 ( 0.050 2.374 0.199) 2.383 20.899 ( 0.823 -1.398 -1.642) 2.308 21.023 ( -1.525 2.416 -0.574) 2.914 27.865 ( 2.468 -1.434 0.214) 2.862 28.006 ( -1.797 -0.422 0.461) 1.903 37.055 ( 11.600 -1.937 -1.826) 11.901 37.154 ( -0.705 -11.771 5.922) 13.196 38.320 ( 6.993 -0.410 -5.971) 9.205 40.013 ( -6.754 4.130 11.033) 13.579 ======================= Grid point 245 (139/294) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 6.652 -19.197 -10.447) 22.845 3.677 ( 6.291 -1.167 -14.878) 16.196 4.458 ( 1.288 6.584 5.521) 8.689 5.072 ( 5.389 -2.612 3.610) 6.993 5.457 ( 14.134 -5.442 14.815) 21.187 5.828 ( 0.430 -1.327 0.588) 1.514 6.344 ( -2.550 7.028 -1.161) 7.566 6.457 ( -4.900 -5.206 6.290) 9.523 7.260 ( -6.070 -3.135 -6.543) 9.459 7.493 ( 0.877 -7.911 -2.128) 8.239 8.119 ( -7.477 1.533 -0.739) 7.668 8.270 ( 4.032 1.476 1.343) 4.499 10.548 ( -2.139 -8.559 -5.935) 10.633 10.878 ( -5.256 0.529 -2.324) 5.771 11.299 ( 2.271 13.372 -2.324) 13.761 11.934 ( 1.326 -1.681 3.060) 3.735 12.274 ( 2.333 -2.620 0.637) 3.565 12.504 ( -0.525 3.958 1.909) 4.425 18.254 ( -1.245 -0.640 2.092) 2.517 18.380 ( -3.851 0.484 0.900) 3.985 18.767 ( -1.154 3.733 -0.056) 3.908 19.055 ( 2.038 3.714 -1.663) 4.551 20.899 ( 1.709 -1.433 -1.332) 2.597 21.013 ( -1.932 2.071 -0.332) 2.852 27.895 ( 2.248 -1.333 -0.050) 2.614 27.964 ( -2.410 -0.763 0.783) 2.646 36.909 ( -5.882 -11.609 2.818) 13.316 37.365 ( 14.811 -0.400 0.274) 14.818 38.337 ( 1.025 -1.626 -7.796) 8.030 40.042 ( -2.335 5.339 10.232) 11.775 ======================= Grid point 248 (140/294) ======================= q-point: ( 0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 16.833 -0.422 -0.549) 16.847 3.981 ( 16.232 3.939 -2.911) 16.955 4.496 ( -3.401 -13.268 0.666) 13.713 4.844 ( -3.920 -1.703 -10.155) 11.018 5.397 ( -10.883 6.791 -7.474) 14.846 5.909 ( -2.811 -2.305 -2.077) 4.186 6.257 ( -4.180 -5.568 3.795) 7.929 6.638 ( 14.461 5.349 8.862) 17.783 6.985 ( -9.153 11.300 -8.895) 17.047 7.702 ( 8.576 2.168 10.125) 13.445 7.948 ( 3.708 0.211 5.206) 6.395 8.308 ( -1.872 -5.048 -1.344) 5.549 10.464 ( 1.793 6.172 -2.047) 6.745 10.823 ( 4.003 -6.242 1.677) 7.603 11.482 ( 1.658 -7.893 7.235) 10.835 12.047 ( -5.619 2.826 2.919) 6.934 12.226 ( 0.844 -0.087 -2.568) 2.705 12.532 ( -4.169 -0.852 -1.784) 4.614 18.098 ( 0.910 1.356 -1.481) 2.204 18.423 ( -3.571 3.033 1.364) 4.880 18.784 ( -2.310 -0.736 0.343) 2.449 19.134 ( -0.945 -2.181 -1.572) 2.849 20.906 ( 2.853 -1.527 -0.311) 3.251 21.000 ( -1.474 0.462 0.351) 1.584 27.859 ( 1.590 -0.288 -0.717) 1.768 27.983 ( -1.257 1.586 1.130) 2.318 36.666 ( 3.661 5.039 -2.159) 6.592 37.708 ( -0.513 -0.311 2.294) 2.371 38.076 ( 10.504 -4.737 -8.371) 14.242 40.200 ( -12.848 2.930 3.395) 13.608 ======================= Grid point 249 (141/294) ======================= q-point: ( 0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.197 ( 10.341 -0.000 -0.750) 10.368 4.198 ( -0.041 -1.446 3.943) 4.200 4.344 ( 7.346 -8.236 -5.303) 12.244 4.853 ( 1.249 14.703 -0.683) 14.772 5.221 ( -7.939 2.205 -6.391) 10.428 5.800 ( -3.860 -2.033 -4.639) 6.368 6.145 ( -3.803 -5.533 -3.844) 7.737 6.724 ( -20.504 12.394 1.116) 23.985 7.149 ( 22.209 5.711 1.219) 22.963 7.861 ( 0.056 4.785 6.101) 7.754 8.032 ( 3.808 -13.692 7.201) 15.932 8.230 ( -0.814 3.879 -1.208) 4.144 10.597 ( 8.016 6.060 -0.808) 10.082 10.879 ( 7.304 -4.613 3.550) 9.340 11.382 ( -4.476 -15.559 5.387) 17.063 12.002 ( -3.837 3.179 2.139) 5.422 12.240 ( 0.557 2.736 -3.103) 4.174 12.439 ( -3.686 -1.189 -1.200) 4.055 18.153 ( 3.679 2.779 -1.912) 4.992 18.390 ( -3.509 0.820 1.453) 3.885 18.741 ( -1.313 -1.381 -0.068) 1.907 19.064 ( -2.576 -3.688 -1.316) 4.687 20.934 ( 1.700 -0.829 -0.037) 1.892 20.988 ( -0.004 -0.770 0.663) 1.016 27.894 ( 2.488 0.616 -0.767) 2.675 27.973 ( -2.297 1.480 0.834) 2.856 36.821 ( 5.987 10.657 -1.699) 12.342 37.620 ( -7.601 -2.897 0.214) 8.137 38.216 ( 11.093 -1.076 -4.150) 11.893 39.986 ( -14.350 1.499 -0.341) 14.432 ======================= Grid point 250 (142/294) ======================= q-point: ( 0.33 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( -2.033 -2.922 -4.114) 5.440 4.146 ( 0.635 -2.815 -1.851) 3.428 4.361 ( -3.856 -2.772 5.304) 7.120 5.102 ( 5.257 8.158 6.380) 11.615 5.190 ( 7.152 2.852 -1.751) 7.897 5.740 ( -2.437 4.234 -5.989) 7.729 5.979 ( -9.539 9.394 -10.085) 16.761 6.436 ( -18.531 2.161 1.333) 18.704 7.609 ( 17.772 2.303 2.807) 18.139 7.764 ( -6.627 -4.136 3.530) 8.573 8.027 ( 6.497 -5.057 2.406) 8.577 8.298 ( 0.266 3.746 -0.087) 3.756 10.818 ( 9.066 6.748 -1.867) 11.455 10.997 ( 5.589 -4.533 3.623) 8.057 11.107 ( -5.819 -17.160 3.211) 18.402 12.008 ( 0.890 0.665 1.654) 1.992 12.245 ( -3.380 5.411 -1.938) 6.668 12.407 ( 1.580 -0.431 0.088) 1.641 18.228 ( 1.017 2.079 -0.490) 2.365 18.352 ( 0.194 -0.117 0.198) 0.301 18.713 ( -0.530 -1.543 -0.000) 1.631 18.975 ( -2.551 -3.337 -1.526) 4.469 20.946 ( 0.178 0.174 0.134) 0.283 20.991 ( 1.551 -2.124 0.599) 2.697 27.932 ( -0.513 1.659 -0.063) 1.738 27.954 ( 0.129 0.343 -0.039) 0.369 37.040 ( 6.278 12.162 -0.550) 13.698 37.427 ( -12.174 -0.831 1.071) 12.249 38.322 ( 4.659 -4.102 -3.201) 6.984 39.794 ( -8.336 3.448 -1.853) 9.210 ======================= Grid point 251 (143/294) ======================= q-point: ( 0.42 0.67 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -13.173 -2.910 -8.039) 15.704 4.034 ( -12.288 -10.276 4.506) 16.640 4.317 ( 2.500 3.707 -3.148) 5.468 5.213 ( -0.158 1.329 5.011) 5.187 5.330 ( -0.718 0.772 2.496) 2.710 5.580 ( -6.899 2.714 0.057) 7.414 6.163 ( 6.408 6.178 0.316) 8.907 6.257 ( 0.883 14.235 -2.646) 14.505 7.439 ( -14.289 -3.431 0.336) 14.699 8.000 ( 3.708 2.162 1.047) 4.418 8.171 ( 19.045 -3.995 1.994) 19.561 8.283 ( -1.555 -0.659 -3.092) 3.523 10.692 ( -13.393 -11.991 0.467) 17.983 11.023 ( 7.042 2.709 -2.804) 8.050 11.205 ( 12.505 -1.839 0.643) 12.656 12.038 ( 2.036 -2.165 0.357) 2.994 12.237 ( -2.586 5.004 0.938) 5.710 12.455 ( 2.583 0.315 0.691) 2.692 18.204 ( -3.593 1.274 2.070) 4.339 18.434 ( 6.835 1.708 -1.511) 7.206 18.668 ( -3.581 -2.186 -0.179) 4.199 18.913 ( 0.341 -2.611 -1.230) 2.906 20.948 ( -0.079 0.095 0.078) 0.146 21.000 ( 1.505 -2.022 0.330) 2.542 27.911 ( -2.293 0.991 0.734) 2.603 27.978 ( 1.180 0.316 -0.802) 1.461 37.140 ( -9.773 1.068 0.384) 9.839 37.323 ( 0.041 11.151 3.281) 11.624 38.234 ( -4.311 -9.022 -4.060) 10.792 39.787 ( 2.161 6.386 -0.657) 6.774 ======================= Grid point 252 (144/294) ======================= q-point: (-0.50 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( -14.905 1.208 -5.856) 16.060 3.649 ( -16.205 -12.793 -2.762) 20.830 4.411 ( 0.960 3.632 3.537) 5.159 5.105 ( -13.215 4.791 6.791) 15.611 5.321 ( -3.927 5.473 2.148) 7.070 5.696 ( 18.051 -10.098 0.001) 20.683 6.127 ( 1.757 -5.621 1.213) 6.012 6.658 ( 9.115 19.678 3.062) 21.902 7.182 ( -14.789 2.330 -0.908) 14.999 7.910 ( -11.235 -0.127 -0.532) 11.249 8.254 ( 3.483 -3.358 -4.740) 6.773 8.467 ( 17.561 -7.137 -2.262) 19.091 10.403 ( -9.042 -6.213 0.063) 10.971 11.104 ( 3.646 -1.540 -3.171) 5.072 11.449 ( 15.074 5.717 -4.334) 16.694 12.041 ( 1.092 -1.385 -0.153) 1.771 12.246 ( -1.650 -0.029 2.593) 3.073 12.480 ( -0.454 0.262 1.056) 1.178 18.207 ( -0.378 4.483 2.843) 5.322 18.526 ( -6.876 -1.398 -3.905) 8.030 18.573 ( 5.121 0.684 1.816) 5.476 18.925 ( 3.709 -2.384 0.070) 4.410 20.944 ( 0.024 -0.717 -0.319) 0.785 21.008 ( 0.881 -0.639 0.014) 1.089 27.889 ( -1.324 0.019 0.638) 1.470 27.985 ( -0.157 0.427 -0.557) 0.719 36.928 ( -14.234 1.210 1.592) 14.373 37.477 ( 1.943 7.357 4.625) 8.905 38.018 ( -5.159 -10.413 -4.659) 12.520 39.941 ( 6.455 6.658 2.100) 9.508 ======================= Grid point 253 (145/294) ======================= q-point: (-0.42 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( -1.763 8.281 6.298) 10.552 3.280 ( -7.315 -12.997 -8.456) 17.145 4.407 ( -8.444 1.041 10.973) 13.885 5.007 ( -4.836 -0.853 0.908) 4.993 5.310 ( -3.791 4.390 4.073) 7.087 5.922 ( 19.094 -10.133 1.780) 21.689 6.148 ( 2.742 1.447 -1.474) 3.433 6.816 ( -5.003 -6.860 0.378) 8.499 7.010 ( -10.930 15.116 -0.376) 18.658 7.746 ( -6.599 3.282 1.664) 7.555 8.244 ( 2.705 -5.853 -5.165) 8.262 8.565 ( 9.338 -14.273 -7.977) 18.830 10.275 ( -2.757 1.109 -0.339) 2.991 11.095 ( 0.406 -2.681 -4.892) 5.593 11.743 ( 11.297 7.972 -6.413) 15.242 12.067 ( 2.078 -1.180 1.285) 2.713 12.186 ( -2.622 -2.916 2.593) 4.701 12.485 ( -0.953 3.086 1.877) 3.735 18.288 ( -3.701 5.143 1.625) 6.541 18.350 ( -2.988 0.196 -1.637) 3.412 18.690 ( 4.599 1.450 1.772) 5.137 18.972 ( 3.595 -1.965 0.735) 4.163 20.931 ( 0.065 -1.361 -1.004) 1.693 21.020 ( 0.380 1.137 -0.355) 1.251 27.867 ( -1.098 -1.160 0.215) 1.612 27.986 ( 0.007 0.879 0.032) 0.880 36.719 ( -11.188 0.084 0.980) 11.231 37.556 ( -0.878 0.080 6.867) 6.923 37.853 ( 0.490 -8.441 -4.677) 9.663 40.123 ( 4.652 5.639 5.515) 9.157 ======================= Grid point 254 (146/294) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( 10.839 1.789 8.648) 13.981 3.107 ( 7.811 -6.793 -4.443) 11.265 4.293 ( -10.449 -1.213 11.856) 15.850 4.887 ( -4.076 -5.963 -2.487) 7.639 5.325 ( -2.191 1.556 5.242) 5.891 6.115 ( 8.822 -6.962 0.913) 11.275 6.243 ( 3.818 6.409 -0.752) 7.498 6.535 ( -7.070 -9.769 -4.897) 13.015 6.979 ( -9.864 8.761 3.425) 13.631 7.787 ( 3.015 4.509 3.502) 6.456 8.162 ( 1.659 -10.855 -8.826) 14.088 8.455 ( 2.523 -16.828 -9.127) 19.309 10.327 ( 3.674 7.905 0.047) 8.717 11.020 ( -2.453 -2.587 -6.335) 7.269 11.791 ( -5.350 -4.069 -3.767) 7.705 12.030 ( 1.132 -2.931 0.582) 3.196 12.272 ( 1.646 7.375 2.304) 7.900 12.544 ( 1.551 7.009 0.251) 7.183 18.141 ( -7.234 -0.338 -1.070) 7.321 18.477 ( 4.477 8.048 0.115) 9.211 18.767 ( 1.172 1.132 3.692) 4.036 19.008 ( 1.813 -1.229 1.185) 2.490 20.911 ( 0.050 -1.327 -1.893) 2.312 21.038 ( 0.026 2.410 -0.735) 2.519 27.834 ( -0.945 -1.507 0.071) 1.780 28.005 ( 0.863 0.705 0.346) 1.167 36.581 ( -3.382 -1.989 0.240) 3.931 37.514 ( -4.196 -7.278 7.703) 11.398 37.832 ( 7.553 -5.757 -3.969) 10.293 40.251 ( -0.323 4.470 9.109) 10.151 ======================= Grid point 255 (147/294) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 7.934 -14.830 -11.477) 20.362 3.410 ( 19.260 -6.785 8.131) 21.980 4.181 ( -6.776 -0.781 7.030) 9.795 4.801 ( 1.438 -1.291 3.043) 3.605 5.280 ( -4.249 -4.219 3.425) 6.898 5.977 ( -6.540 -18.313 6.569) 20.526 6.319 ( -0.041 13.773 -7.174) 15.530 6.577 ( 5.556 3.566 -2.575) 7.087 6.946 ( -0.805 4.529 9.164) 10.254 7.848 ( 1.181 -7.788 -6.750) 10.374 8.055 ( 5.471 -7.633 -4.988) 10.634 8.277 ( -0.649 -12.436 -5.824) 13.747 10.541 ( 7.519 11.505 1.717) 13.851 10.919 ( -1.902 0.431 -7.188) 7.448 11.571 ( -10.051 -6.350 -2.450) 12.138 12.047 ( 2.553 -4.180 0.431) 4.917 12.290 ( -7.379 5.836 1.282) 9.495 12.627 ( -1.740 7.769 -2.029) 8.216 18.080 ( -0.461 2.414 0.397) 2.490 18.598 ( 0.736 5.873 -1.302) 6.061 18.796 ( -1.363 2.293 3.778) 4.625 19.025 ( 0.278 -0.383 2.019) 2.074 20.888 ( 0.051 -1.140 -2.732) 2.960 21.058 ( -0.452 3.003 -1.030) 3.207 27.814 ( 0.167 -1.120 0.360) 1.189 28.024 ( 0.628 -0.101 0.277) 0.694 36.589 ( 7.161 -2.557 0.160) 7.606 37.362 ( -6.488 -11.935 7.151) 15.352 37.934 ( 12.352 -5.167 -4.012) 13.977 40.291 ( -5.957 3.499 12.431) 14.222 ======================= Grid point 256 (148/294) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.783 ( 8.325 -20.081 -13.399) 25.536 3.491 ( 6.781 -18.944 -7.578) 21.501 4.173 ( 7.229 -2.521 1.551) 7.812 4.938 ( 2.419 2.931 13.027) 13.570 5.195 ( 2.382 -9.044 6.925) 11.637 5.830 ( 1.012 -7.120 9.808) 12.162 6.404 ( 2.958 2.356 -6.782) 7.765 6.569 ( -11.108 13.954 -0.517) 17.843 7.161 ( 10.342 3.923 5.871) 12.523 7.621 ( -2.911 -17.356 -11.625) 21.092 8.128 ( 4.261 -3.474 1.138) 5.614 8.159 ( 3.440 -4.995 -4.357) 7.467 10.621 ( -3.422 -2.557 -3.393) 5.455 11.078 ( 10.521 19.461 -0.815) 22.138 11.316 ( -12.877 -2.279 -4.363) 13.786 11.968 ( -4.712 -9.711 1.378) 10.881 12.226 ( -2.978 2.940 -1.004) 4.303 12.619 ( -4.696 5.107 -0.269) 6.943 18.167 ( 4.211 5.678 1.813) 7.298 18.581 ( -5.418 -0.179 1.015) 5.515 18.822 ( -1.492 5.253 0.280) 5.468 19.036 ( -0.337 0.997 1.423) 1.769 20.864 ( 0.375 -1.223 -3.070) 3.326 21.069 ( -1.124 2.953 -1.137) 3.358 27.823 ( 1.397 -0.620 0.690) 1.677 28.021 ( -0.542 -1.045 0.193) 1.193 36.772 ( 15.484 -1.079 0.095) 15.522 37.148 ( -7.070 -14.138 6.412) 17.059 38.077 ( 12.749 -5.977 -6.282) 15.418 40.265 ( -8.732 3.588 15.112) 17.818 ======================= Grid point 257 (149/294) ======================= q-point: (-0.08 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( 9.029 -25.184 -13.528) 29.979 3.395 ( 10.614 -13.515 -11.577) 20.720 4.373 ( 15.297 0.825 -1.216) 15.368 4.968 ( -1.896 -7.519 13.262) 15.363 5.278 ( 9.317 -6.550 12.910) 17.216 5.905 ( 0.448 1.049 5.302) 5.423 6.370 ( 2.826 -10.815 -2.687) 11.496 6.571 ( -8.766 20.755 -2.367) 22.654 7.254 ( 0.018 -3.258 -9.244) 9.801 7.424 ( -0.813 -6.815 1.976) 7.142 8.071 ( 2.617 -11.522 -0.309) 11.820 8.282 ( 4.735 6.888 -1.179) 8.442 10.490 ( -3.846 -3.521 -5.197) 7.362 11.045 ( -14.165 1.132 -4.718) 14.973 11.398 ( 1.103 14.757 0.774) 14.818 11.863 ( 5.003 -5.546 5.041) 9.011 12.220 ( 1.231 -0.995 -2.082) 2.616 12.595 ( -3.702 4.389 1.760) 6.005 18.297 ( 0.594 5.123 2.704) 5.823 18.463 ( -5.666 -1.973 1.362) 6.152 18.840 ( -2.241 4.753 -0.026) 5.255 19.055 ( 0.599 2.842 -1.311) 3.186 20.849 ( 1.254 -1.452 -2.659) 3.279 21.065 ( -1.787 2.453 -0.991) 3.192 27.851 ( 1.832 -0.411 0.642) 1.984 27.990 ( -1.487 -1.510 0.403) 2.158 36.901 ( -4.914 -11.706 1.828) 12.827 37.088 ( 16.676 -0.918 2.885) 16.949 38.153 ( 8.531 -8.118 -9.407) 15.072 40.253 ( -6.834 5.585 16.016) 18.287 ======================= Grid point 260 (150/294) ======================= q-point: ( 0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 23.139 -2.504 2.033) 23.363 3.542 ( 27.885 -9.663 1.814) 29.568 4.359 ( -2.173 -18.515 -3.581) 18.983 4.963 ( -3.187 15.199 -3.803) 15.989 5.490 ( -0.561 -2.574 -9.415) 9.777 6.021 ( -5.094 5.608 9.936) 12.495 6.202 ( 18.722 -8.156 -5.560) 21.164 6.533 ( -15.624 3.525 0.457) 16.024 7.141 ( 3.712 4.963 -2.948) 6.863 7.563 ( 9.461 0.293 3.405) 10.059 7.951 ( 2.618 0.869 6.379) 6.950 8.249 ( 2.049 -4.175 -4.757) 6.653 10.605 ( -5.778 10.619 -1.557) 12.189 10.747 ( -2.603 0.068 3.024) 3.991 11.399 ( 1.481 -9.719 6.977) 12.055 12.109 ( 4.266 0.970 -2.193) 4.893 12.225 ( -5.843 -4.653 3.663) 8.319 12.605 ( -4.813 1.153 -0.383) 4.964 18.123 ( -2.357 3.191 -2.149) 4.512 18.551 ( -5.367 4.215 1.649) 7.021 18.833 ( -3.813 -0.829 0.824) 3.988 19.108 ( 0.114 -2.374 -1.841) 3.006 20.838 ( 3.128 -1.317 -0.120) 3.396 21.042 ( -2.284 0.836 0.010) 2.432 27.834 ( 0.565 -0.112 -0.757) 0.951 28.009 ( 0.451 0.727 1.218) 1.488 36.632 ( 4.640 5.027 -2.389) 7.246 37.610 ( 6.954 -9.324 -5.627) 12.921 37.826 ( 11.603 0.319 0.405) 11.615 40.459 ( -12.004 2.079 3.483) 12.671 ======================= Grid point 261 (151/294) ======================= q-point: ( 0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 17.777 -2.666 3.944) 18.403 3.902 ( 23.081 -14.318 -0.351) 27.164 4.194 ( -0.133 -2.052 0.531) 2.124 5.023 ( -2.698 15.197 -3.161) 15.755 5.384 ( -6.009 1.468 -9.537) 11.368 5.914 ( -16.066 0.489 -0.406) 16.079 6.125 ( -0.810 -2.758 -1.991) 3.496 6.738 ( 20.654 1.656 0.752) 20.734 7.183 ( -6.386 10.798 -5.262) 13.604 7.753 ( 11.584 -7.486 6.507) 15.250 8.007 ( -2.794 0.735 6.796) 7.384 8.241 ( 2.014 -0.225 -0.281) 2.046 10.601 ( -0.334 4.367 0.174) 4.383 10.769 ( 0.996 2.866 3.055) 4.306 11.307 ( -2.066 -14.860 4.820) 15.758 12.098 ( -4.608 -3.294 2.096) 6.040 12.198 ( 4.896 2.596 -3.174) 6.386 12.518 ( -5.780 0.289 -0.531) 5.811 18.138 ( 0.634 4.610 -2.425) 5.248 18.497 ( -5.528 2.103 1.528) 6.109 18.766 ( -2.832 -1.246 0.202) 3.100 19.054 ( -1.599 -4.062 -0.760) 4.431 20.879 ( 2.937 -0.961 0.283) 3.103 21.012 ( -1.971 0.350 0.207) 2.013 27.856 ( 2.039 0.677 -0.656) 2.246 28.016 ( -0.935 0.434 0.750) 1.274 36.806 ( 7.067 10.838 -1.431) 13.017 37.564 ( 4.441 -10.837 -7.059) 13.675 38.049 ( 8.963 3.721 4.180) 10.567 40.239 ( -14.463 -0.676 -0.907) 14.507 ======================= Grid point 262 (152/294) ======================= q-point: ( 0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 7.827 -3.639 4.773) 9.863 4.014 ( 11.119 -8.974 -6.740) 15.799 4.287 ( 3.665 -2.604 7.348) 8.614 5.176 ( -1.004 4.560 -8.732) 9.902 5.231 ( -5.203 10.441 7.376) 13.801 5.726 ( -1.259 1.915 -5.142) 5.629 6.113 ( -1.557 7.781 -4.683) 9.214 6.854 ( -13.703 1.506 -6.812) 15.376 7.305 ( 16.145 5.979 4.344) 17.756 7.773 ( 0.045 -14.949 3.317) 15.313 7.961 ( -2.394 1.204 1.821) 3.240 8.313 ( 2.432 1.950 2.065) 3.739 10.732 ( 8.648 5.598 1.578) 10.422 10.850 ( 4.614 -0.215 2.966) 5.490 11.088 ( -7.265 -16.123 2.162) 17.816 12.022 ( -1.974 -1.931 0.024) 2.762 12.296 ( 3.388 5.277 -2.587) 6.783 12.424 ( -4.288 -0.410 0.440) 4.330 18.200 ( 2.868 3.848 -1.779) 5.118 18.418 ( -5.448 0.068 0.984) 5.537 18.721 ( -1.323 -0.656 -0.086) 1.479 18.978 ( -2.486 -3.368 -0.155) 4.189 20.920 ( 2.401 -0.403 0.280) 2.451 20.984 ( -1.385 -0.258 0.174) 1.420 27.904 ( 2.660 1.012 -0.473) 2.885 27.994 ( -1.990 -0.109 0.387) 2.030 37.044 ( 7.019 11.737 0.208) 13.677 37.486 ( 0.766 -7.122 -5.017) 8.745 38.212 ( 4.138 0.541 3.641) 5.539 39.984 ( -12.240 -0.080 -2.381) 12.470 ======================= Grid point 263 (153/294) ======================= q-point: ( 0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( -5.501 -1.837 1.423) 5.972 4.055 ( 2.645 -3.430 -4.989) 6.606 4.277 ( -1.371 -8.576 3.600) 9.402 5.033 ( 2.211 -7.546 -1.299) 7.970 5.401 ( -0.083 10.438 3.234) 10.928 5.788 ( -0.395 4.414 -2.252) 4.971 6.288 ( 7.432 23.136 0.337) 24.302 6.462 ( -23.349 -2.895 0.063) 23.528 7.510 ( -0.695 -10.220 -0.650) 10.264 7.780 ( 16.109 2.523 1.524) 16.376 7.971 ( 3.784 -3.579 -0.992) 5.302 8.320 ( -3.397 -1.088 0.105) 3.569 10.788 ( -10.917 -12.178 0.213) 16.356 10.926 ( 4.192 2.949 -2.119) 5.546 10.977 ( 12.380 -0.591 1.985) 12.552 11.992 ( 0.745 -1.980 -0.119) 2.119 12.338 ( -3.546 3.885 -0.182) 5.263 12.423 ( 3.502 1.682 0.219) 3.891 18.269 ( 0.113 2.132 0.038) 2.135 18.362 ( 0.903 0.807 -0.094) 1.215 18.703 ( -0.855 0.219 0.113) 0.889 18.902 ( -3.011 -2.395 -0.060) 3.847 20.954 ( 0.530 0.753 -0.120) 0.929 20.963 ( 0.459 -1.269 0.119) 1.355 27.949 ( 0.298 -0.415 -0.196) 0.547 27.959 ( -0.442 0.616 0.196) 0.783 37.212 ( 1.285 1.797 0.313) 2.231 37.444 ( 0.260 4.789 -0.508) 4.823 38.198 ( -4.137 -6.338 0.251) 7.573 39.850 ( -3.611 3.480 -0.057) 5.015 ======================= Grid point 264 (154/294) ======================= q-point: (-0.50 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.968 ( -13.855 0.707 -4.258) 14.512 3.819 ( -19.132 -11.323 -1.796) 22.304 4.276 ( 9.996 -5.903 -0.629) 11.626 5.127 ( 14.054 -7.608 2.266) 16.141 5.475 ( -4.391 8.500 2.694) 9.939 5.716 ( -14.355 8.559 2.077) 16.841 6.112 ( -7.977 -5.050 3.238) 9.981 6.705 ( 8.871 13.835 7.833) 18.206 7.361 ( -5.888 -0.237 -4.730) 7.556 7.997 ( 3.661 -4.706 -0.565) 5.989 8.067 ( 13.396 -3.603 -7.619) 15.826 8.204 ( -3.538 -3.385 1.929) 5.263 10.511 ( -10.143 -4.946 -1.072) 11.335 10.983 ( 4.751 -3.077 -2.975) 6.395 11.214 ( 14.452 4.211 -4.138) 15.611 11.997 ( 1.698 -2.189 0.592) 2.833 12.306 ( -3.452 0.647 1.628) 3.871 12.496 ( 1.602 2.592 0.286) 3.060 18.269 ( -0.853 3.157 1.105) 3.452 18.462 ( 6.696 2.041 -0.367) 7.009 18.668 ( -6.009 1.958 0.607) 6.349 18.846 ( 0.822 -3.206 0.295) 3.323 20.937 ( -0.529 -1.061 -0.697) 1.376 20.991 ( 1.357 0.997 -0.117) 1.688 27.912 ( -1.635 -1.217 0.215) 2.050 27.985 ( 0.681 0.607 0.045) 0.914 37.136 ( -7.463 -1.981 0.023) 7.722 37.557 ( 1.158 7.687 4.203) 8.837 37.977 ( -8.159 -11.941 -3.639) 14.913 39.921 ( 4.384 5.372 4.173) 8.093 ======================= Grid point 265 (155/294) ======================= q-point: (-0.42 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -6.931 1.635 -3.492) 7.931 3.330 ( -18.854 -11.833 -5.416) 22.909 4.377 ( 8.516 -11.504 4.280) 14.939 5.228 ( -5.997 0.762 5.069) 7.889 5.457 ( -6.022 3.383 3.150) 7.592 5.622 ( 2.640 0.167 8.995) 9.376 6.122 ( 4.467 6.766 -1.886) 8.324 6.800 ( -3.498 -11.567 3.396) 12.553 7.299 ( -6.223 12.112 -3.750) 14.124 7.903 ( -7.596 -1.645 -2.598) 8.195 8.079 ( 5.349 -6.883 -4.493) 9.807 8.244 ( 6.778 -10.103 -2.683) 12.458 10.354 ( -5.290 1.883 -2.022) 5.968 11.004 ( 3.432 -2.831 -4.802) 6.546 11.538 ( 18.468 9.112 -7.007) 21.753 12.010 ( 2.161 -2.717 1.584) 3.816 12.229 ( -4.795 -3.518 1.845) 6.227 12.537 ( -0.013 3.176 1.368) 3.458 18.339 ( 2.878 6.121 0.647) 6.795 18.506 ( -9.690 3.095 -2.892) 10.575 18.624 ( 4.286 1.160 4.932) 6.637 18.876 ( 4.861 -2.591 0.615) 5.542 20.912 ( -0.260 -1.278 -1.529) 2.010 21.023 ( 0.885 2.031 -0.488) 2.268 27.876 ( -1.223 -1.352 0.344) 1.856 27.993 ( -0.074 0.163 0.188) 0.260 36.950 ( -13.007 -0.277 0.569) 13.023 37.626 ( -2.338 0.222 8.378) 8.700 37.721 ( -2.213 -12.609 -6.870) 14.528 40.107 ( 6.761 4.714 8.103) 11.558 ======================= Grid point 266 (156/294) ======================= q-point: (-0.33 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.682 ( 2.244 -12.643 -9.875) 16.199 3.024 ( -3.195 -2.153 3.242) 5.035 4.373 ( 3.112 -13.592 8.601) 16.383 5.035 ( -16.862 1.608 3.463) 17.288 5.403 ( -3.587 -0.821 5.042) 6.242 5.852 ( 13.196 -1.475 9.094) 16.094 6.307 ( 4.408 16.981 -3.270) 17.846 6.480 ( -8.478 -24.314 -4.172) 26.085 7.276 ( -9.805 11.418 -1.104) 15.090 7.790 ( -0.644 -4.602 -5.176) 6.956 8.020 ( -2.763 -4.521 -4.333) 6.844 8.185 ( 4.849 -16.382 -1.693) 17.168 10.352 ( 1.474 6.549 -1.663) 6.916 10.991 ( 0.360 -0.958 -5.760) 5.851 11.795 ( 1.486 4.393 -8.330) 9.534 11.997 ( -1.227 -5.857 3.117) 6.747 12.238 ( 10.196 4.425 0.988) 11.159 12.588 ( 0.748 4.969 1.543) 5.257 18.315 ( -11.730 2.828 -1.627) 12.175 18.486 ( 4.089 8.193 -0.033) 9.157 18.748 ( 4.630 0.737 5.939) 7.566 18.943 ( 4.440 -1.242 0.394) 4.628 20.887 ( -0.070 -1.037 -2.699) 2.892 21.056 ( 0.524 2.832 -0.922) 3.024 27.845 ( -1.355 -1.046 0.537) 1.794 27.996 ( 0.458 -0.335 0.172) 0.593 36.712 ( -12.867 -1.413 0.518) 12.955 37.542 ( -1.353 -12.096 5.219) 13.244 37.633 ( 1.823 -5.840 -1.828) 6.385 40.303 ( 4.801 3.392 11.735) 13.125 ======================= Grid point 267 (157/294) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( 6.682 -19.570 -16.870) 26.688 3.092 ( 9.826 -13.092 5.324) 17.213 4.341 ( -3.389 -7.357 10.579) 13.324 4.816 ( -6.645 0.356 2.887) 7.254 5.334 ( -5.361 -5.917 4.253) 9.046 5.848 ( -4.643 -23.164 3.710) 23.914 6.288 ( 8.195 -0.586 -6.124) 10.247 6.602 ( 7.890 20.246 4.801) 22.253 7.174 ( -13.119 9.261 -0.288) 16.061 7.634 ( 0.184 -16.240 -13.655) 21.218 7.971 ( 1.049 0.802 -0.322) 1.359 8.081 ( 2.608 -16.569 1.269) 16.821 10.518 ( 8.426 9.012 0.941) 12.373 10.944 ( -2.453 2.916 -6.008) 7.115 11.643 ( -8.627 -6.009 -4.069) 11.273 11.968 ( 1.441 -4.867 1.055) 5.184 12.444 ( 0.355 8.428 0.272) 8.440 12.693 ( 2.761 8.915 -2.689) 9.712 18.176 ( -6.985 4.269 0.027) 8.186 18.622 ( 2.883 6.231 -1.214) 6.972 18.847 ( 1.328 2.330 5.941) 6.519 18.999 ( 2.886 -0.690 1.120) 3.172 20.861 ( -0.021 -0.662 -4.053) 4.106 21.086 ( 0.096 3.218 -1.330) 3.483 27.819 ( -1.067 -0.298 0.817) 1.376 28.004 ( 1.065 -0.981 -0.020) 1.448 36.537 ( -4.259 -2.888 1.080) 5.258 37.396 ( -6.040 -12.449 7.188) 15.593 37.641 ( 9.855 -9.309 -3.291) 13.950 40.444 ( -0.020 2.268 15.113) 15.283 ======================= Grid point 268 (158/294) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 8.778 -22.116 -15.957) 28.650 3.060 ( 10.227 -26.684 -7.391) 29.517 4.135 ( -7.165 -13.495 4.603) 15.958 4.948 ( 10.006 1.866 10.793) 14.836 5.133 ( -6.329 -13.845 6.590) 16.589 5.683 ( 5.802 -11.640 3.906) 13.580 6.372 ( -0.337 5.043 -7.169) 8.772 6.967 ( -0.802 25.017 5.433) 25.613 7.052 ( -1.386 -0.030 -5.144) 5.328 7.418 ( 0.166 -13.426 -4.166) 14.059 7.927 ( 5.376 -17.640 -4.441) 18.968 8.069 ( 3.482 1.068 3.217) 4.859 10.666 ( -2.276 0.815 -1.587) 2.892 11.062 ( 11.719 16.806 0.909) 20.508 11.426 ( -7.480 -4.563 -4.214) 9.722 11.924 ( -0.222 -8.932 0.712) 8.963 12.414 ( -11.659 7.234 -2.167) 13.891 12.746 ( -3.859 7.052 -3.304) 8.692 18.187 ( 1.302 6.929 1.633) 7.237 18.663 ( -2.813 0.912 0.859) 3.079 18.900 ( -1.168 5.008 1.019) 5.243 19.046 ( 1.470 0.481 2.576) 3.005 20.830 ( 0.005 -0.674 -4.956) 5.001 21.106 ( -0.549 3.066 -1.552) 3.480 27.815 ( -0.054 0.468 1.103) 1.199 28.006 ( 0.634 -1.656 -0.239) 1.789 36.551 ( 8.132 -2.018 1.813) 8.572 37.173 ( -8.244 -14.347 6.809) 17.893 37.734 ( 13.808 -10.036 -4.965) 17.777 40.503 ( -5.223 1.993 17.848) 18.703 ======================= Grid point 269 (159/294) ======================= q-point: (-0.08 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 6.316 -28.157 -14.606) 32.343 2.923 ( 14.202 -26.184 -11.222) 31.831 4.075 ( 13.086 -12.106 4.079) 18.287 5.015 ( 3.583 -11.892 12.044) 17.301 5.114 ( 3.575 -5.327 9.054) 11.097 5.797 ( 9.153 -1.398 -0.481) 9.272 6.295 ( -5.104 -1.053 -4.813) 7.094 6.989 ( -11.054 20.594 -7.003) 24.399 7.055 ( 3.874 -9.492 -5.606) 11.685 7.433 ( 0.180 2.155 7.913) 8.203 7.858 ( 7.903 -15.139 -1.574) 17.150 8.193 ( 7.811 2.461 -0.703) 8.220 10.557 ( -6.684 1.353 -3.896) 7.854 11.240 ( -8.890 0.933 -6.054) 10.796 11.533 ( 11.247 19.298 6.429) 23.243 11.758 ( -4.086 -13.590 3.390) 14.590 12.243 ( -8.463 3.150 -4.271) 9.989 12.718 ( -4.460 4.849 0.176) 6.590 18.341 ( 4.375 8.983 2.750) 10.364 18.558 ( -7.763 -3.474 1.972) 8.731 18.923 ( -1.875 4.647 -0.686) 5.058 19.078 ( -0.350 2.681 0.020) 2.704 20.801 ( 0.658 -1.174 -4.519) 4.715 21.110 ( -1.312 2.500 -1.433) 3.166 27.835 ( 0.759 0.844 1.164) 1.626 27.988 ( -0.332 -2.135 -0.230) 2.173 36.767 ( 14.317 -0.282 0.387) 14.325 36.934 ( -4.888 -13.049 6.173) 15.240 37.825 ( 12.200 -11.743 -7.787) 18.638 40.515 ( -6.988 3.836 18.793) 20.414 ======================= Grid point 272 (160/294) ======================= q-point: ( 0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( 26.652 -3.592 7.980) 28.052 2.938 ( 32.038 -12.058 7.925) 35.138 4.175 ( 7.075 -13.162 -0.223) 14.944 5.087 ( 6.130 9.995 -6.914) 13.611 5.310 ( 7.702 -8.511 -15.315) 19.139 5.699 ( 19.947 -0.331 2.170) 20.067 6.238 ( -7.557 3.459 9.975) 12.983 6.919 ( -5.198 -9.142 6.749) 12.496 7.066 ( -13.498 8.300 -5.340) 16.721 7.459 ( 5.031 4.829 -6.726) 9.689 7.845 ( 14.292 -3.298 5.829) 15.783 8.144 ( 1.982 -0.609 -6.377) 6.705 10.637 ( -2.012 -5.007 1.853) 5.705 11.097 ( -12.108 24.623 -2.313) 27.536 11.331 ( -0.112 -8.396 6.954) 10.903 11.954 ( 8.453 -4.802 -3.018) 10.180 12.337 ( -10.877 -7.170 7.142) 14.857 12.712 ( -5.763 1.492 1.162) 6.065 18.218 ( -4.928 5.468 -2.290) 7.709 18.668 ( -3.598 0.519 0.117) 3.637 18.902 ( -4.469 -0.233 0.630) 4.519 19.083 ( -0.723 -0.693 -1.558) 1.851 20.777 ( 2.783 -0.909 1.409) 3.249 21.091 ( -2.432 0.781 0.344) 2.577 27.832 ( -0.749 0.313 -0.979) 1.271 27.996 ( 1.867 -0.160 1.013) 2.130 36.588 ( 5.106 5.981 -2.774) 8.339 37.290 ( 9.408 -15.380 -7.986) 19.719 37.654 ( 14.816 4.645 5.137) 16.355 40.670 ( -10.127 0.579 -2.530) 10.454 ======================= Grid point 273 (161/294) ======================= q-point: ( 0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 23.475 -3.978 9.662) 25.696 3.378 ( 24.705 -9.850 6.726) 27.434 4.176 ( 3.062 2.122 1.129) 3.893 5.148 ( -1.981 6.154 -11.873) 13.520 5.321 ( 6.091 -0.387 -9.239) 11.072 5.981 ( 9.797 -3.329 -9.369) 13.959 6.263 ( -1.878 5.889 10.309) 12.020 6.559 ( -13.070 -1.591 1.161) 13.218 7.203 ( 7.609 1.794 1.421) 7.946 7.527 ( 7.826 -4.075 -1.254) 8.912 8.077 ( 6.472 2.801 6.286) 9.447 8.158 ( 2.679 0.744 -2.743) 3.905 10.565 ( 0.249 -6.868 3.475) 7.701 11.078 ( -15.999 20.976 -0.101) 26.381 11.238 ( -2.972 -11.820 4.824) 13.108 12.008 ( 6.133 -8.159 -3.532) 10.800 12.191 ( -1.653 -0.818 3.288) 3.770 12.620 ( -6.044 -0.013 -0.262) 6.049 18.203 ( -3.008 6.984 -2.735) 8.081 18.591 ( -3.675 -2.626 -0.298) 4.527 18.822 ( -4.808 0.085 0.300) 4.818 19.046 ( -1.575 -2.039 0.356) 2.601 20.826 ( 2.782 -0.446 1.474) 3.180 21.056 ( -2.566 0.369 0.460) 2.632 27.835 ( 0.902 0.936 -0.789) 1.521 28.019 ( 0.712 -0.718 0.464) 1.113 36.783 ( 7.758 11.749 -1.226) 14.132 37.261 ( 9.477 -14.046 -8.058) 18.763 37.968 ( 11.286 5.639 7.527) 14.691 40.439 ( -12.384 -2.478 -6.533) 14.219 ======================= Grid point 274 (162/294) ======================= q-point: ( 0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( 16.901 -1.518 11.677) 20.598 3.629 ( 15.112 -10.631 4.915) 19.119 4.322 ( 1.846 8.729 1.874) 9.117 5.134 ( 3.738 1.939 -10.910) 11.695 5.389 ( 2.130 7.137 -4.088) 8.497 5.842 ( -11.405 -0.713 -3.990) 12.104 6.218 ( -6.522 7.553 1.565) 10.101 6.679 ( 16.045 -4.704 -7.356) 18.267 7.275 ( 1.551 0.708 2.360) 2.911 7.602 ( 6.115 -9.692 2.354) 11.699 8.109 ( -8.551 3.743 2.020) 9.550 8.249 ( 7.116 -0.883 1.623) 7.352 10.592 ( 7.546 -5.009 5.989) 10.858 10.982 ( -9.120 2.097 3.477) 9.983 11.090 ( -7.193 -0.494 0.366) 7.219 11.998 ( 1.924 -4.181 -1.930) 4.990 12.247 ( 4.208 2.791 -0.854) 5.122 12.511 ( -5.644 -0.254 -0.901) 5.721 18.217 ( -0.826 5.142 -2.034) 5.591 18.492 ( -3.779 -3.824 -0.902) 5.451 18.751 ( -3.438 0.147 0.083) 3.442 19.002 ( -2.324 -0.676 1.448) 2.820 20.877 ( 2.598 0.031 1.058) 2.806 21.017 ( -2.374 -0.068 0.252) 2.388 27.870 ( 2.199 1.281 -0.420) 2.579 28.010 ( -0.603 -1.429 -0.049) 1.551 37.031 ( 7.335 8.958 1.115) 11.631 37.263 ( 9.304 -7.845 -7.890) 14.504 38.205 ( 5.133 3.876 8.526) 10.680 40.161 ( -12.024 -2.204 -7.331) 14.254 ======================= Grid point 275 (163/294) ======================= q-point: ( 0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 3.565 0.526 11.434) 11.989 3.797 ( 13.457 -9.155 2.039) 16.402 4.331 ( -6.174 3.370 -1.488) 7.190 5.048 ( -8.860 -5.421 -4.078) 11.159 5.517 ( 2.634 12.632 -1.706) 13.015 5.802 ( 1.968 7.170 -0.521) 7.454 6.302 ( 7.922 9.738 1.713) 12.670 6.647 ( -4.304 -10.606 -12.169) 16.706 7.347 ( 5.233 -8.248 5.270) 11.098 7.628 ( 6.732 -1.357 1.467) 7.022 7.966 ( -7.941 -0.680 -0.698) 8.000 8.329 ( 1.808 -1.220 0.273) 2.198 10.720 ( 6.964 -9.403 4.597) 12.571 10.864 ( -2.143 -4.404 1.449) 5.108 11.020 ( -6.603 10.872 0.068) 12.720 11.969 ( -0.261 -2.091 -0.876) 2.282 12.354 ( 5.689 1.851 -1.687) 6.216 12.430 ( -3.912 1.805 -0.704) 4.366 18.259 ( 1.929 3.054 -0.926) 3.729 18.387 ( -2.967 -3.235 -1.092) 4.524 18.712 ( -1.342 -0.034 0.121) 1.348 18.967 ( -3.617 1.705 1.801) 4.386 20.926 ( 2.249 0.482 0.549) 2.365 20.978 ( -1.875 -0.365 -0.174) 1.918 27.922 ( 2.318 1.076 0.014) 2.555 27.974 ( -1.294 -1.896 -0.284) 2.313 37.134 ( 5.024 -7.786 -1.110) 9.333 37.401 ( 8.032 8.558 -2.862) 12.080 38.271 ( -4.631 -0.937 6.322) 7.893 39.957 ( -6.566 1.463 -3.843) 7.747 ======================= Grid point 276 (164/294) ======================= q-point: (-0.50 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -11.782 -1.924 1.757) 12.067 3.885 ( 5.051 -11.417 1.771) 12.609 4.193 ( -11.510 0.130 -1.055) 11.559 4.894 ( 3.920 -4.734 0.951) 6.220 5.656 ( -3.123 12.779 -0.549) 13.167 5.871 ( 1.204 7.996 -3.830) 8.947 6.284 ( -12.296 -14.035 -0.467) 18.665 6.688 ( 11.788 6.465 10.744) 17.210 7.334 ( 2.698 -1.541 -6.740) 7.421 7.786 ( 9.449 -7.158 4.801) 12.790 7.878 ( 2.137 -0.621 -5.416) 5.855 8.290 ( -4.213 -0.347 -0.887) 4.320 10.622 ( -6.755 -3.753 -1.057) 7.799 10.860 ( 3.843 -5.588 0.401) 6.794 11.083 ( 2.772 7.911 -2.240) 8.677 11.960 ( 1.048 -1.315 1.274) 2.109 12.370 ( -2.412 -0.883 0.199) 2.577 12.472 ( 3.662 4.015 -1.698) 5.694 18.292 ( 0.457 -0.121 -1.580) 1.649 18.384 ( 4.431 1.667 0.721) 4.789 18.706 ( 0.595 0.034 0.424) 0.732 18.918 ( -6.354 3.031 2.063) 7.336 20.936 ( -1.075 -1.106 -0.718) 1.702 20.977 ( 1.607 1.569 -0.043) 2.247 27.922 ( -1.411 -1.899 -0.287) 2.383 27.973 ( 1.553 0.373 0.459) 1.662 37.106 ( 3.028 -9.183 -1.741) 9.825 37.589 ( 4.499 7.245 0.108) 8.529 38.089 ( -14.261 -6.060 2.060) 15.632 39.944 ( 1.198 4.810 2.971) 5.779 ======================= Grid point 277 (165/294) ======================= q-point: (-0.42 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( -14.043 -7.366 -5.515) 16.789 3.583 ( -21.587 -11.099 -3.733) 24.559 4.124 ( 5.352 -8.329 3.962) 10.664 5.087 ( 15.125 0.443 5.067) 15.957 5.614 ( -8.085 1.558 2.147) 8.509 5.905 ( -13.752 1.415 5.007) 14.703 6.112 ( 5.293 9.821 -0.761) 11.182 6.755 ( -4.220 -15.443 4.668) 16.676 7.379 ( 2.569 5.358 -8.374) 10.268 7.864 ( 3.615 -6.901 0.747) 7.826 7.880 ( 5.834 -6.278 -3.414) 9.226 8.226 ( -4.375 3.341 -0.681) 5.547 10.474 ( -7.780 2.133 -2.322) 8.395 10.899 ( 4.954 -1.838 -0.802) 5.345 11.262 ( 15.070 5.773 -6.025) 17.226 11.977 ( 0.642 -1.107 2.512) 2.819 12.289 ( -5.188 -3.415 -0.467) 6.228 12.552 ( 2.243 3.245 -0.172) 3.948 18.325 ( 3.877 2.095 -1.883) 4.792 18.505 ( 5.572 2.233 1.095) 6.102 18.733 ( -0.231 2.756 0.493) 2.809 18.837 ( -6.155 1.757 3.647) 7.367 20.901 ( -0.855 -1.179 -1.726) 2.258 21.022 ( 1.459 2.211 -0.468) 2.690 27.882 ( -0.983 -1.673 -0.008) 1.940 27.993 ( 0.342 -0.277 0.642) 0.778 37.044 ( -0.244 -7.034 -1.170) 7.135 37.664 ( -2.670 0.353 -6.161) 6.724 37.755 ( -13.392 -8.192 7.327) 17.325 40.090 ( 5.581 4.993 8.930) 11.654 ======================= Grid point 278 (166/294) ======================= q-point: (-0.33 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -9.079 -16.859 -10.131) 21.663 3.126 ( -13.898 -11.059 -1.744) 17.846 4.145 ( 6.787 -13.661 6.750) 16.680 5.298 ( -1.867 3.175 2.678) 4.554 5.491 ( -6.072 -1.792 1.984) 6.635 5.803 ( -0.037 2.505 16.036) 16.231 6.356 ( -10.424 -20.685 -11.143) 25.704 6.380 ( 3.555 10.790 3.015) 11.753 7.399 ( 1.885 1.252 -8.728) 9.017 7.731 ( -5.077 -3.694 -8.614) 10.660 7.955 ( 5.357 -11.569 7.994) 15.048 8.142 ( -8.341 3.083 -1.998) 9.114 10.397 ( -2.644 3.849 -2.149) 5.140 10.953 ( 1.601 2.019 -1.474) 2.968 11.664 ( 21.580 11.476 -8.354) 25.830 11.974 ( -0.508 -2.631 2.738) 3.831 12.135 ( -3.211 -6.993 -0.292) 7.700 12.621 ( 1.622 3.998 1.052) 4.441 18.432 ( 5.377 3.862 -2.473) 7.067 18.552 ( -5.364 3.698 -2.450) 6.960 18.746 ( -0.745 4.616 7.769) 9.068 18.858 ( 4.363 -0.033 1.840) 4.735 20.867 ( -0.472 -0.957 -3.117) 3.294 21.065 ( 1.104 2.745 -0.948) 3.107 27.857 ( -0.649 -0.875 0.450) 1.178 27.988 ( -0.278 -1.006 0.468) 1.144 36.921 ( -9.010 -2.914 -0.589) 9.488 37.389 ( -5.289 -13.079 -4.989) 14.964 37.668 ( -4.460 -5.109 7.198) 9.890 40.299 ( 6.491 3.543 13.390) 15.297 ======================= Grid point 279 (167/294) ======================= q-point: (-0.25 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -2.209 -23.193 -16.210) 28.382 2.859 ( -0.769 -22.476 1.039) 22.513 4.185 ( 8.504 -14.648 8.155) 18.799 5.116 ( -18.847 3.622 2.607) 19.368 5.394 ( -6.266 -6.665 6.270) 11.091 5.741 ( -11.318 -29.409 -9.145) 32.811 6.075 ( 13.079 4.679 6.713) 15.427 6.691 ( 7.840 18.849 2.098) 20.522 7.397 ( 2.697 -1.584 -8.492) 9.049 7.512 ( -12.756 -0.786 -8.530) 15.365 7.876 ( -1.360 -14.688 2.578) 14.975 8.059 ( -4.118 1.536 4.712) 6.444 10.455 ( 5.578 4.415 -0.176) 7.116 10.985 ( -0.378 4.917 -1.866) 5.273 11.731 ( -10.011 -2.573 -6.074) 11.989 11.932 ( -1.704 -4.722 2.628) 5.666 12.352 ( 20.715 9.042 -4.204) 22.990 12.705 ( 2.570 5.893 0.174) 6.431 18.394 ( -11.615 6.274 -1.325) 13.268 18.586 ( 6.236 2.409 -1.693) 6.896 18.868 ( 3.202 4.002 8.270) 9.730 18.943 ( 3.743 0.775 0.713) 3.889 20.833 ( -0.169 -0.466 -4.995) 5.019 21.103 ( 0.684 2.973 -1.375) 3.347 27.844 ( -0.943 0.254 0.991) 1.392 27.976 ( 0.376 -1.616 -0.044) 1.660 36.682 ( -13.740 -1.807 0.279) 13.861 37.254 ( 6.309 -15.036 -2.078) 16.438 37.534 ( -6.067 -9.478 5.891) 12.702 40.503 ( 4.571 1.907 17.117) 17.819 ======================= Grid point 280 (168/294) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 8.976 -24.613 -18.414) 32.023 2.602 ( 3.838 -33.303 -5.141) 33.915 4.018 ( -4.532 -37.890 2.617) 38.250 4.943 ( -7.385 2.513 6.569) 10.199 5.141 ( -3.977 -12.986 5.369) 14.604 5.520 ( 4.069 -3.949 -3.554) 6.692 6.351 ( 8.434 8.704 -2.130) 12.306 6.974 ( -1.512 4.470 0.331) 4.730 7.193 ( 2.857 -9.049 -3.596) 10.148 7.461 ( -4.971 17.247 -2.162) 18.079 7.685 ( -3.918 -17.297 2.634) 17.930 8.060 ( 0.380 -0.020 4.073) 4.091 10.635 ( 7.652 2.471 0.975) 8.100 11.063 ( 4.007 10.481 1.237) 11.289 11.486 ( -8.783 -4.835 -5.270) 11.326 11.851 ( -1.677 -8.230 1.828) 8.596 12.611 ( -0.291 10.160 -3.402) 10.719 12.829 ( 2.143 9.302 -5.908) 11.226 18.296 ( -5.754 7.112 0.578) 9.166 18.683 ( 2.629 0.682 0.376) 2.742 18.964 ( -0.307 3.581 1.066) 3.749 19.028 ( 3.555 2.019 5.071) 6.514 20.797 ( -0.145 -0.153 -6.854) 6.857 21.131 ( 0.095 2.773 -1.589) 3.198 27.841 ( -0.959 1.210 1.380) 2.071 27.970 ( 1.040 -1.951 -0.601) 2.291 36.502 ( -4.039 -2.139 2.291) 5.113 37.182 ( -2.219 -14.888 4.656) 15.756 37.407 ( 5.617 -11.779 -1.393) 13.124 40.658 ( 0.257 1.050 20.058) 20.087 ======================= Grid point 281 (169/294) ======================= q-point: (-0.08 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 6.549 -27.925 -15.070) 32.400 2.316 ( 11.996 -34.786 -14.350) 39.495 3.617 ( 12.484 -45.498 6.289) 47.597 4.829 ( 0.066 -7.896 3.092) 8.480 5.162 ( -1.082 -0.709 11.787) 11.857 5.642 ( 9.861 4.069 -5.208) 11.871 6.442 ( -9.353 6.773 -4.508) 12.397 6.750 ( 4.388 -10.555 -10.270) 15.367 7.382 ( -6.450 1.670 5.895) 8.896 7.467 ( 12.475 -19.239 0.169) 22.930 7.594 ( -4.098 21.137 5.529) 22.229 8.109 ( 3.777 0.067 1.317) 4.001 10.666 ( -4.859 2.758 -3.045) 6.363 11.307 ( -2.598 -1.859 -6.064) 6.854 11.425 ( 17.162 11.386 8.385) 22.237 11.722 ( -3.326 -11.756 2.055) 12.389 12.549 ( -15.837 11.355 -5.544) 20.260 12.840 ( -4.462 6.023 -3.183) 8.143 18.366 ( 3.486 8.714 1.830) 9.563 18.661 ( -5.395 -2.673 2.559) 6.542 18.980 ( -0.816 2.992 -1.209) 3.328 19.116 ( 0.372 3.715 2.452) 4.467 20.755 ( 0.126 -0.736 -6.810) 6.851 21.143 ( -0.664 2.238 -1.407) 2.726 27.852 ( -0.288 1.659 1.499) 2.255 27.960 ( 0.553 -2.125 -0.940) 2.389 36.557 ( 9.656 0.147 3.069) 10.133 36.950 ( -8.493 -14.304 5.420) 17.496 37.449 ( 12.694 -12.944 -5.482) 18.940 40.744 ( -4.008 2.351 20.208) 20.735 ======================= Grid point 321 (170/294) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -0.000 0.000 32.971) 32.971 1.069 ( -0.000 0.000 32.971) 32.971 1.767 ( -0.000 0.000 54.163) 54.163 4.851 ( 0.000 -0.000 -4.845) 4.845 4.851 ( 0.000 -0.000 -4.845) 4.845 6.241 ( 0.000 0.000 -0.905) 0.905 6.241 ( 0.000 -0.000 -0.905) 0.905 6.945 ( -0.000 0.000 1.116) 1.116 6.945 ( -0.000 0.000 1.116) 1.116 7.516 ( -0.000 0.000 3.400) 3.400 7.874 ( 0.000 -0.000 -6.897) 6.897 8.430 ( 0.000 -0.000 -9.606) 9.606 10.842 ( 0.000 -0.000 -2.771) 2.771 10.842 ( 0.000 -0.000 -2.771) 2.771 11.235 ( -0.000 0.000 1.833) 1.833 11.235 ( -0.000 0.000 1.833) 1.833 12.923 ( 0.000 -0.000 -2.181) 2.181 13.212 ( -0.000 0.000 1.295) 1.295 18.610 ( 0.000 -0.000 -0.327) 0.327 18.610 ( 0.000 -0.000 -0.327) 0.327 19.027 ( -0.000 0.000 0.667) 0.667 19.027 ( -0.000 0.000 0.667) 0.667 21.273 ( -0.000 0.000 4.756) 4.756 22.340 ( 0.000 -0.000 -3.615) 3.615 27.871 ( -0.000 0.000 0.551) 0.551 27.989 ( 0.000 -0.000 -0.551) 0.551 36.536 ( 0.000 -0.000 -4.062) 4.062 36.536 ( 0.000 -0.000 -4.062) 4.062 36.851 ( -0.000 0.000 4.308) 4.308 36.851 ( -0.000 0.000 4.308) 4.308 ======================= Grid point 322 (171/294) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 19.157 -3.975 23.629) 30.677 1.522 ( 8.885 1.153 34.709) 35.847 2.477 ( 29.191 26.494 34.133) 52.145 4.663 ( -4.518 1.218 -6.052) 7.651 5.069 ( 10.850 4.695 -3.658) 12.375 6.082 ( -13.794 10.995 -3.864) 18.058 6.323 ( 7.964 -20.212 4.403) 22.166 6.763 ( -1.997 -6.593 8.307) 10.792 6.967 ( -2.675 2.482 -0.325) 3.663 7.592 ( 0.316 4.572 -0.916) 4.674 7.888 ( 3.621 6.593 -6.878) 10.193 8.284 ( -5.245 -1.842 -3.275) 6.452 10.821 ( 12.420 -14.916 -6.623) 20.509 11.046 ( -9.202 -0.323 4.230) 10.133 11.150 ( 11.231 17.442 -9.659) 22.884 11.503 ( 11.504 8.832 1.925) 14.630 12.810 ( -10.735 -5.603 -3.121) 12.505 13.100 ( -9.434 -6.119 3.074) 11.657 18.570 ( -2.096 -3.276 -0.118) 3.891 18.615 ( -0.956 3.851 -0.783) 4.044 19.024 ( 1.369 -1.627 -0.912) 2.314 19.037 ( -0.846 -0.472 -0.293) 1.012 21.267 ( -3.016 -1.741 4.830) 5.955 21.817 ( -29.836 -17.185 14.995) 37.555 27.855 ( -1.068 -0.473 0.088) 1.172 27.959 ( -1.364 -1.168 -0.043) 1.796 36.580 ( -0.314 4.265 -3.925) 5.805 36.718 ( 1.501 16.947 -0.266) 17.015 36.929 ( 19.835 -10.398 2.017) 22.486 37.931 ( 68.594 41.216 -44.155) 91.398 ======================= Grid point 323 (172/294) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 31.780 -1.239 13.586) 34.584 1.894 ( 13.676 6.269 26.779) 30.715 3.273 ( 21.118 19.648 7.264) 29.746 4.754 ( 8.893 11.257 2.995) 14.656 5.212 ( 0.697 3.963 -0.871) 4.117 5.952 ( -9.329 9.248 -7.721) 15.237 6.260 ( 5.047 -16.739 11.014) 20.664 6.767 ( 2.160 -6.438 -0.727) 6.830 7.003 ( 6.917 1.909 -1.295) 7.292 7.543 ( -3.795 -0.312 -7.340) 8.269 7.994 ( -2.551 10.290 2.024) 10.793 8.306 ( 5.753 5.611 2.728) 8.487 10.818 ( -0.935 -3.092 -7.650) 8.304 10.934 ( 6.298 -15.237 4.883) 17.195 11.455 ( 8.480 16.294 -8.406) 20.201 11.746 ( 2.731 7.670 5.357) 9.746 12.415 ( -18.292 -11.835 -1.703) 21.853 12.900 ( -8.215 -5.695 1.674) 10.135 18.471 ( -4.848 -3.997 0.174) 6.286 18.643 ( -1.937 6.190 -1.255) 6.607 18.976 ( -2.858 -3.711 -2.174) 5.164 19.030 ( 2.651 -2.671 -1.490) 4.047 21.170 ( -7.824 -4.275 5.847) 10.662 21.415 ( -12.531 -7.395 12.497) 19.180 27.834 ( -0.762 0.133 -1.286) 1.501 27.934 ( -0.296 -1.037 0.265) 1.110 36.576 ( -0.536 1.745 -2.414) 3.026 36.949 ( 2.669 20.571 2.761) 20.927 37.272 ( 26.980 -6.309 1.441) 27.745 38.918 ( 38.806 23.671 -48.584) 66.533 ======================= Grid point 324 (173/294) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 19.565 6.886 19.774) 28.657 2.426 ( 30.819 5.107 2.713) 31.357 3.761 ( 21.831 12.815 -5.716) 25.951 5.038 ( -1.221 7.484 2.199) 7.895 5.147 ( -5.859 6.478 1.937) 8.947 5.838 ( -3.815 -1.639 -10.053) 10.877 6.361 ( 8.671 -1.317 15.209) 17.557 6.758 ( 1.542 2.995 -5.667) 6.592 7.106 ( 7.733 -8.911 -2.420) 12.045 7.472 ( 0.690 1.877 -5.724) 6.063 8.024 ( -5.885 4.932 8.942) 11.786 8.496 ( 4.043 7.706 1.266) 8.794 10.691 ( -8.227 1.767 -1.389) 8.529 10.955 ( 11.198 -19.062 1.879) 22.188 11.564 ( -12.592 4.425 3.187) 13.722 11.760 ( 0.642 4.168 -0.636) 4.265 12.222 ( 3.672 -0.115 -0.623) 3.727 12.719 ( -7.313 -4.187 -0.646) 8.451 18.341 ( -5.779 -3.316 -0.029) 6.663 18.631 ( -5.553 4.318 -0.054) 7.034 18.860 ( -2.696 -5.656 -3.579) 7.216 19.055 ( 3.783 -1.597 -1.837) 4.498 21.034 ( -5.995 -3.059 5.386) 8.620 21.265 ( -6.263 -3.930 6.047) 9.552 27.824 ( 0.164 0.719 -1.507) 1.678 27.928 ( 0.181 -0.668 0.107) 0.701 36.583 ( 0.306 2.286 -1.905) 2.991 37.221 ( 4.451 17.643 3.730) 18.574 37.689 ( 25.832 -4.497 0.894) 26.235 39.353 ( 19.424 13.855 -34.787) 42.183 ======================= Grid point 325 (174/294) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( 14.559 10.031 15.011) 23.193 2.985 ( 32.268 0.191 -9.080) 33.522 4.285 ( 27.503 13.792 -9.081) 32.080 4.782 ( -16.960 -2.499 0.990) 17.171 5.340 ( 5.218 14.291 4.260) 15.799 5.672 ( -5.098 -7.334 -7.697) 11.791 6.550 ( -1.393 10.039 5.242) 11.411 6.733 ( -4.002 -4.082 -2.473) 6.229 7.138 ( 6.556 -6.016 -0.769) 8.931 7.514 ( 4.992 -2.164 -2.261) 5.892 7.982 ( -7.364 1.342 9.151) 11.822 8.553 ( -3.358 2.582 0.489) 4.264 10.590 ( -5.288 0.276 3.244) 6.210 10.942 ( 3.985 -10.450 4.738) 12.147 11.433 ( -1.914 -2.773 6.190) 7.048 11.835 ( 1.879 4.719 -4.916) 7.069 12.313 ( 1.963 2.845 1.113) 3.631 12.579 ( -4.635 -1.181 -1.949) 5.164 18.223 ( -4.751 -1.654 0.148) 5.033 18.534 ( -7.394 -0.737 0.301) 7.437 18.768 ( -0.181 -3.432 -3.549) 4.940 19.099 ( 3.141 -0.143 -1.849) 3.648 20.965 ( -2.532 -1.154 3.033) 4.116 21.158 ( -5.089 -3.141 2.959) 6.672 27.843 ( 1.718 1.200 -0.741) 2.223 27.921 ( -0.375 -0.394 -0.275) 0.609 36.607 ( 0.491 2.634 -1.610) 3.126 37.469 ( 4.333 12.374 4.190) 13.764 38.024 ( 18.155 -4.899 -3.532) 19.134 39.590 ( 12.577 10.686 -19.130) 25.265 ======================= Grid point 326 (175/294) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 3.210 3.953 8.324) 9.758 3.400 ( 27.761 -7.750 -18.365) 34.176 4.585 ( -4.720 5.228 3.388) 7.816 4.778 ( 16.884 11.637 -13.022) 24.292 5.454 ( -8.271 -4.790 -5.010) 10.792 5.677 ( 12.549 17.080 6.636) 22.209 6.538 ( -6.372 2.923 -1.136) 7.102 6.557 ( -10.895 -6.492 7.324) 14.645 7.061 ( -5.330 -6.950 -8.671) 12.325 7.598 ( 6.338 -1.039 4.278) 7.717 7.945 ( -1.622 -2.428 8.603) 9.085 8.495 ( -5.356 1.179 3.086) 6.293 10.513 ( -4.482 -2.939 1.540) 5.577 10.965 ( 0.728 -1.450 5.476) 5.712 11.470 ( 5.820 -5.009 5.180) 9.263 11.884 ( 2.638 3.284 -1.604) 4.508 12.321 ( -4.007 1.646 0.514) 4.362 12.523 ( -0.901 1.647 -2.886) 3.443 18.154 ( -3.082 0.442 0.923) 3.247 18.407 ( -4.324 -2.321 -0.411) 4.924 18.745 ( 1.621 -1.210 -2.183) 2.976 19.131 ( 1.705 -0.068 -1.964) 2.602 20.947 ( -0.487 -0.131 1.170) 1.275 21.061 ( -4.164 -2.446 1.374) 5.020 27.893 ( 2.314 0.737 0.773) 2.548 27.904 ( -0.807 0.275 -1.034) 1.340 36.629 ( -0.210 2.554 -1.380) 2.910 37.643 ( 2.778 5.690 4.419) 7.722 38.153 ( 6.787 -4.828 -9.864) 12.911 39.834 ( 12.141 9.162 -5.550) 16.191 ======================= Grid point 327 (176/294) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -10.306 -6.848 2.522) 12.628 3.582 ( 18.430 -14.636 -20.163) 30.991 4.694 ( -0.316 8.481 9.317) 12.603 4.922 ( -1.906 10.152 -20.921) 23.332 5.331 ( 0.191 4.289 -2.315) 4.878 5.972 ( -0.540 7.335 -0.695) 7.388 6.346 ( -5.261 -9.110 8.495) 13.521 6.577 ( 6.122 -3.157 13.959) 15.566 6.864 ( -4.486 5.747 -14.386) 16.128 7.701 ( 2.371 -2.820 7.849) 8.671 7.936 ( -0.352 -3.997 6.754) 7.856 8.430 ( -5.689 0.690 3.059) 6.496 10.402 ( -3.331 -3.594 -2.443) 5.476 10.937 ( -4.842 -1.047 3.016) 5.800 11.548 ( 3.839 -4.360 6.875) 9.001 11.999 ( 5.962 3.606 2.227) 7.315 12.247 ( -4.209 0.563 -1.301) 4.441 12.534 ( 1.110 2.439 -2.562) 3.707 18.123 ( -2.976 2.448 0.999) 3.981 18.371 ( 2.352 -0.687 -0.058) 2.451 18.770 ( 2.687 0.404 -0.955) 2.880 19.132 ( 0.520 -1.263 -2.531) 2.876 20.933 ( -1.934 -1.109 0.004) 2.229 21.002 ( -0.734 -0.358 0.769) 1.122 27.873 ( -1.656 0.001 -0.435) 1.712 27.953 ( 2.517 0.658 0.790) 2.719 36.631 ( -1.501 2.242 -1.275) 2.985 37.715 ( 0.315 -1.486 4.520) 4.769 38.078 ( -3.025 -3.426 -12.996) 13.776 40.117 ( 12.095 7.405 1.425) 14.253 ======================= Grid point 328 (177/294) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( -15.849 -13.464 3.911) 21.161 3.513 ( 1.846 -17.223 -14.669) 22.698 4.737 ( -15.065 15.477 -9.376) 23.546 4.766 ( -0.367 -4.715 0.346) 4.742 5.477 ( 4.258 5.650 -4.100) 8.177 5.984 ( 3.123 2.427 5.548) 6.814 6.357 ( 6.543 -8.322 -3.384) 11.114 6.422 ( -13.582 -1.166 3.423) 14.055 7.033 ( 8.199 8.574 -1.919) 12.017 7.645 ( -7.976 -8.664 12.330) 17.050 7.952 ( 1.046 0.520 1.199) 1.674 8.329 ( -6.538 -1.919 -0.679) 6.848 10.373 ( 6.683 -2.040 -2.352) 7.373 10.857 ( -4.944 0.809 3.362) 6.033 11.570 ( -2.600 -0.860 8.359) 8.797 12.090 ( -0.697 -0.131 -1.596) 1.746 12.246 ( 4.748 1.354 2.562) 5.563 12.579 ( 2.633 2.503 -1.481) 3.923 18.121 ( -1.341 4.783 0.151) 4.970 18.459 ( 6.771 0.813 1.000) 6.893 18.829 ( 3.113 1.737 -0.197) 3.571 19.099 ( -0.059 -2.765 -3.613) 4.550 20.870 ( -3.065 -1.772 0.346) 3.557 21.024 ( 1.732 1.021 0.217) 2.022 27.846 ( -1.382 0.436 -0.585) 1.563 27.993 ( 1.262 -0.386 1.030) 1.674 36.607 ( -2.902 1.962 -1.378) 3.764 37.668 ( -3.108 -7.779 3.898) 9.239 37.874 ( -9.131 -2.281 -12.023) 15.268 40.390 ( 10.787 5.867 1.788) 12.409 ======================= Grid point 329 (178/294) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -17.264 -17.607 9.974) 26.600 3.162 ( -16.840 -16.912 -3.342) 24.099 4.477 ( -14.151 -0.889 -6.370) 15.544 4.856 ( 5.319 4.486 -1.887) 7.210 5.435 ( -7.621 2.024 -8.779) 11.801 5.871 ( -27.602 -14.263 2.294) 31.154 6.170 ( 8.772 0.231 7.665) 11.651 6.708 ( 24.665 3.496 -8.695) 26.385 7.152 ( -2.914 12.024 2.025) 12.537 7.454 ( -9.204 -8.489 8.735) 15.267 7.938 ( -4.662 -2.947 3.254) 6.404 8.157 ( -6.829 -2.988 -7.557) 10.615 10.540 ( 13.154 -3.989 -1.605) 13.839 10.867 ( 2.520 5.324 3.550) 6.877 11.542 ( -7.096 3.613 8.332) 11.525 12.004 ( -4.818 -2.896 -3.313) 6.525 12.400 ( 7.714 2.349 5.634) 9.837 12.667 ( 5.281 2.609 0.573) 5.919 18.179 ( 1.308 7.148 -0.470) 7.281 18.600 ( 7.117 0.514 1.580) 7.308 18.900 ( 2.806 2.358 -0.774) 3.746 19.048 ( 0.622 -3.375 -4.690) 5.811 20.811 ( -2.442 -1.379 2.055) 3.477 21.072 ( 2.295 1.285 0.447) 2.668 27.833 ( -0.446 0.973 -0.851) 1.368 27.997 ( -0.310 -1.376 0.807) 1.625 36.559 ( -3.872 1.937 -1.733) 4.663 37.484 ( -9.949 -8.440 -1.541) 13.138 37.632 ( -8.772 -5.739 -4.454) 11.389 40.601 ( 8.018 4.211 -4.188) 9.978 ======================= Grid point 334 (179/294) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -7.910 17.840 23.180) 30.301 1.861 ( -7.850 24.774 27.906) 38.133 2.579 ( 9.698 25.732 39.687) 48.283 4.628 ( 3.102 -3.898 -10.993) 12.069 5.008 ( -1.370 8.710 -2.842) 9.263 5.960 ( 7.578 -16.627 2.211) 18.406 6.514 ( -13.288 15.144 -1.706) 20.220 6.812 ( -5.432 -6.531 1.602) 8.645 7.008 ( 3.143 5.337 3.407) 7.069 7.474 ( 6.586 -9.474 4.726) 12.469 7.792 ( 2.851 -1.353 -9.235) 9.759 8.243 ( 0.679 -5.816 -4.573) 7.429 10.711 ( -11.580 -3.157 -2.102) 12.186 11.044 ( 4.446 3.723 -7.425) 9.421 11.267 ( 1.824 14.602 1.163) 14.761 11.442 ( 2.421 9.478 1.484) 9.894 12.842 ( 0.537 -4.876 -3.577) 6.072 13.181 ( -0.572 -2.951 0.172) 3.011 18.538 ( 0.114 -5.098 -0.641) 5.139 18.620 ( 1.567 -0.216 0.207) 1.595 19.006 ( -0.830 -1.427 -0.339) 1.686 19.052 ( -0.890 -0.056 0.009) 0.892 21.293 ( -0.004 -3.715 5.195) 6.387 21.880 ( 0.022 -30.952 10.411) 32.656 27.855 ( 0.124 -1.723 0.283) 1.751 27.961 ( -0.317 -1.296 -0.204) 1.350 36.424 ( 6.331 -2.272 -2.621) 7.219 36.636 ( -0.231 6.028 -2.533) 6.543 37.035 ( -7.169 9.580 3.040) 12.345 37.839 ( 1.308 78.472 -32.869) 85.088 ======================= Grid point 335 (180/294) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 4.030 26.939 17.353) 32.297 2.067 ( -4.247 14.262 31.769) 35.081 3.249 ( 12.228 22.998 11.195) 28.351 4.684 ( 11.616 6.332 -3.469) 13.677 5.151 ( 7.529 6.884 -1.352) 10.291 5.980 ( 10.765 -16.754 7.003) 21.109 6.228 ( -19.009 -2.093 -4.642) 19.679 6.772 ( -3.041 8.775 2.485) 9.614 7.037 ( -4.342 4.945 -3.138) 7.291 7.513 ( 1.288 -4.356 -3.152) 5.529 7.928 ( 14.536 -0.933 -1.629) 14.656 8.234 ( 5.611 -1.023 0.824) 5.763 10.591 ( 1.531 -5.162 0.077) 5.385 11.013 ( -5.853 0.771 -2.144) 6.281 11.435 ( 6.087 12.685 -3.061) 14.399 11.709 ( 10.563 9.457 1.311) 14.239 12.655 ( -15.131 -6.049 -4.657) 16.948 13.009 ( -11.063 -6.390 1.739) 12.893 18.497 ( -0.949 -2.966 -1.698) 3.547 18.649 ( 3.147 0.025 -0.018) 3.147 18.965 ( -0.973 -4.302 -0.555) 4.445 18.997 ( -3.434 -2.210 -0.366) 4.101 21.240 ( -3.580 -6.219 4.733) 8.596 21.567 ( -9.932 -17.973 11.840) 23.704 27.835 ( -0.373 -1.196 -0.694) 1.432 27.938 ( -0.826 -0.500 0.124) 0.973 36.665 ( -4.008 9.343 -2.677) 10.513 36.703 ( 26.673 -4.651 -2.403) 27.182 37.111 ( 1.408 13.496 3.630) 14.046 38.554 ( 19.583 53.528 -39.084) 69.111 ======================= Grid point 336 (181/294) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 12.374 29.222 10.923) 33.561 2.355 ( 5.546 12.030 24.108) 27.508 3.559 ( 10.762 10.212 -6.824) 16.330 5.039 ( 14.343 9.671 2.021) 17.416 5.287 ( -2.552 5.660 0.046) 6.209 5.849 ( -11.918 -10.373 -8.849) 18.109 6.137 ( 18.194 -8.882 12.465) 23.776 6.861 ( -2.729 18.030 -3.087) 18.495 6.960 ( -2.419 -4.240 -3.296) 5.890 7.477 ( -0.739 2.475 -4.233) 4.958 8.088 ( 5.289 -2.274 3.545) 6.761 8.417 ( 11.036 0.859 2.727) 11.400 10.621 ( 7.343 -6.186 1.540) 9.725 10.894 ( -8.707 2.569 -0.226) 9.081 11.654 ( 7.067 9.933 -4.185) 12.888 11.921 ( -1.449 3.967 5.005) 6.548 12.226 ( -15.787 -6.111 -2.038) 17.050 12.791 ( -7.419 -6.560 0.553) 9.919 18.415 ( -4.917 -1.095 -1.268) 5.194 18.716 ( 2.035 2.565 -1.649) 3.666 18.844 ( -5.130 -7.086 -1.554) 8.885 18.944 ( 1.928 -4.827 -0.012) 5.198 21.117 ( -5.339 -6.038 4.482) 9.223 21.355 ( -6.539 -8.431 7.592) 13.095 27.818 ( 0.038 -0.142 -1.435) 1.442 27.929 ( -0.334 0.296 0.295) 0.536 36.670 ( -4.479 9.627 -1.764) 10.763 37.118 ( 27.149 -5.572 -3.565) 27.944 37.357 ( 7.369 15.167 5.571) 17.759 39.077 ( 15.643 30.634 -33.034) 47.690 ======================= Grid point 337 (182/294) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 11.444 12.839 1.612) 17.274 2.786 ( 11.281 22.430 14.530) 29.008 3.909 ( 23.885 8.875 -6.456) 26.285 5.093 ( -19.818 0.165 0.854) 19.837 5.330 ( 10.624 6.399 1.412) 12.482 5.606 ( -0.758 -7.557 -9.630) 12.264 6.467 ( 17.179 -6.711 7.122) 19.771 6.802 ( -7.114 -0.153 -4.509) 8.424 7.025 ( 2.735 10.629 -2.650) 11.290 7.496 ( -0.740 6.406 -0.778) 6.495 8.120 ( -1.778 -2.806 6.637) 7.421 8.552 ( 4.041 -3.068 1.094) 5.191 10.723 ( 5.599 -1.086 3.172) 6.526 10.772 ( -5.540 -0.408 1.964) 5.892 11.625 ( -18.953 -3.403 5.311) 19.975 11.807 ( 3.489 3.652 -2.572) 5.668 12.254 ( 7.760 1.730 0.533) 7.968 12.634 ( -4.856 -3.556 -0.581) 6.047 18.311 ( -5.806 0.616 -0.961) 5.917 18.656 ( -8.006 -5.284 0.213) 9.595 18.722 ( -0.986 -0.405 -3.424) 3.586 18.979 ( 6.952 -4.545 -0.748) 8.340 21.014 ( -3.468 -3.182 3.042) 5.605 21.221 ( -4.993 -5.487 3.894) 8.378 27.825 ( 1.169 0.975 -1.080) 1.867 27.930 ( -0.409 0.688 0.060) 0.802 36.688 ( -3.630 9.666 -1.417) 10.422 37.435 ( 15.976 -1.281 -2.744) 16.261 37.687 ( 12.966 8.376 3.107) 15.746 39.401 ( 12.377 17.805 -21.111) 30.264 ======================= Grid point 338 (183/294) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 13.973 2.412 -11.927) 18.528 3.187 ( 2.399 18.276 9.891) 20.919 4.410 ( 26.269 7.427 -8.871) 28.704 4.803 ( -12.755 1.392 6.199) 14.249 5.463 ( -1.465 -0.687 -6.998) 7.183 5.660 ( 12.617 10.283 2.347) 16.444 6.513 ( 2.301 -13.178 -4.487) 14.110 6.699 ( -5.704 -6.468 4.772) 9.856 7.087 ( -3.768 10.547 -10.269) 15.195 7.574 ( -0.066 7.663 4.834) 9.060 8.052 ( -5.595 -3.355 7.866) 10.220 8.544 ( -0.052 -4.752 3.445) 5.869 10.630 ( -9.257 1.640 0.653) 9.424 10.894 ( 8.731 -2.545 6.564) 11.215 11.410 ( -4.318 -5.317 4.802) 8.365 11.864 ( 1.768 2.426 -1.016) 3.169 12.358 ( 2.293 0.682 -0.312) 2.412 12.548 ( -2.700 -0.487 -0.951) 2.904 18.236 ( -4.030 2.572 -0.246) 4.787 18.476 ( -6.929 -4.469 0.009) 8.245 18.690 ( 0.573 -1.333 -2.390) 2.796 19.045 ( 5.354 -3.376 -1.500) 6.505 20.964 ( -1.386 -1.117 1.433) 2.286 21.111 ( -4.200 -3.928 1.820) 6.031 27.865 ( 2.268 1.570 -0.245) 2.770 27.925 ( -1.089 0.793 -0.171) 1.358 36.717 ( -3.525 9.487 -1.078) 10.178 37.625 ( 8.157 -0.243 -0.440) 8.172 37.935 ( 8.742 2.939 -3.775) 9.965 39.672 ( 12.820 10.391 -8.833) 18.718 ======================= Grid point 339 (184/294) ======================= q-point: ( 0.67 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.005 ( 8.701 -7.055 -16.930) 20.300 3.294 ( -7.932 8.724 2.531) 12.059 4.759 ( 14.775 0.267 -12.449) 19.323 4.809 ( 1.389 9.032 9.717) 13.339 5.407 ( -3.405 9.106 -9.963) 13.921 5.972 ( 8.245 1.398 1.573) 8.509 6.399 ( -12.060 -14.502 1.176) 18.898 6.512 ( 7.983 -0.656 6.994) 10.633 7.034 ( -9.566 12.005 -8.739) 17.663 7.675 ( 1.921 4.991 3.695) 6.500 7.984 ( -3.316 -4.388 10.440) 11.800 8.506 ( -2.284 -4.574 4.764) 6.988 10.477 ( -8.949 -0.250 -2.240) 9.229 10.984 ( 0.302 -2.851 5.091) 5.843 11.401 ( 6.837 -7.107 4.754) 10.947 11.943 ( 4.586 2.454 1.983) 5.566 12.340 ( -4.280 0.242 -0.701) 4.344 12.520 ( 0.311 0.683 -2.015) 2.150 18.227 ( -2.213 5.195 1.316) 5.797 18.350 ( -2.954 -2.376 -0.287) 3.802 18.700 ( 3.383 -1.343 -1.922) 4.116 19.069 ( 2.560 -3.837 -2.181) 5.102 20.948 ( -0.740 -0.482 0.281) 0.927 21.025 ( -2.684 -2.247 0.954) 3.628 27.906 ( -1.582 0.788 -0.709) 1.904 27.924 ( 2.303 1.364 0.887) 2.819 36.738 ( -4.373 9.323 -0.738) 10.324 37.704 ( 2.258 -2.705 2.000) 4.052 38.001 ( 1.455 0.573 -9.743) 9.867 39.955 ( 13.826 5.547 -1.118) 14.939 ======================= Grid point 340 (185/294) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -9.712 -8.704 -2.769) 13.333 3.221 ( -0.089 -0.872 -11.427) 11.460 4.747 ( -2.120 -9.338 -4.278) 10.488 5.026 ( -2.095 17.410 -2.907) 17.775 5.439 ( 2.973 8.186 -5.894) 10.516 5.997 ( 1.302 -3.552 -1.277) 3.992 6.116 ( 0.497 -12.567 -0.560) 12.589 6.709 ( -9.121 3.417 9.192) 13.392 7.018 ( 4.224 13.789 -2.565) 14.648 7.735 ( -2.498 -2.056 8.282) 8.892 7.970 ( -0.285 0.906 4.605) 4.702 8.401 ( -5.874 -6.532 2.149) 9.044 10.330 ( -4.279 -0.125 -3.358) 5.441 10.940 ( -3.309 -2.429 4.287) 5.935 11.511 ( 9.309 -6.335 6.950) 13.233 12.060 ( 4.879 -0.426 1.940) 5.268 12.246 ( -5.117 0.745 -1.394) 5.355 12.545 ( 2.459 1.049 -1.540) 3.085 18.245 ( -4.214 7.492 2.518) 8.957 18.358 ( 5.249 -0.017 -0.624) 5.286 18.754 ( 5.148 -0.930 -1.686) 5.496 19.037 ( 0.590 -4.962 -3.107) 5.885 20.906 ( -2.775 -1.486 0.358) 3.168 21.008 ( 0.993 0.236 0.424) 1.106 27.879 ( -1.901 0.707 -0.521) 2.094 27.974 ( 1.582 0.621 0.838) 1.895 36.740 ( -5.856 9.394 -0.482) 11.080 37.667 ( -3.002 -7.063 4.704) 9.001 37.914 ( -4.418 0.168 -12.849) 13.588 40.228 ( 13.226 2.453 0.083) 13.452 ======================= Grid point 341 (186/294) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -19.609 -8.874 8.029) 22.973 3.138 ( -1.933 -5.353 -9.857) 11.382 4.499 ( -8.401 -13.156 -7.259) 17.215 5.063 ( -7.961 16.466 0.417) 18.295 5.490 ( -1.872 1.968 -6.223) 6.790 6.011 ( 5.714 -4.561 -8.440) 11.166 6.212 ( 6.840 0.660 6.087) 9.180 6.431 ( -15.228 -2.695 2.344) 15.641 7.246 ( 4.744 10.110 2.480) 11.440 7.634 ( -9.968 -4.827 12.484) 16.689 8.001 ( -1.946 4.625 -0.559) 5.049 8.207 ( -7.717 -7.896 -3.923) 11.717 10.343 ( 5.890 0.638 -0.428) 5.940 10.913 ( -0.525 0.692 4.060) 4.152 11.652 ( 5.389 -0.201 9.447) 10.878 12.048 ( -4.226 -1.468 -3.058) 5.419 12.230 ( 6.259 -6.038 1.750) 8.871 12.607 ( 4.030 1.667 -0.890) 4.451 18.287 ( -2.100 10.338 1.854) 10.711 18.477 ( 7.561 0.078 0.931) 7.619 18.826 ( 5.267 -0.990 -3.225) 6.255 18.971 ( 0.353 -5.170 -3.570) 6.293 20.851 ( -2.466 -1.036 1.734) 3.188 21.045 ( 2.266 0.823 0.443) 2.451 27.854 ( -1.337 0.757 -0.624) 1.658 27.993 ( 0.062 -0.356 0.478) 0.599 36.719 ( -7.443 9.860 -0.371) 12.359 37.511 ( -7.310 -11.732 5.104) 14.735 37.742 ( -8.510 0.965 -11.455) 14.303 40.437 ( 10.546 0.143 -4.912) 11.635 ======================= Grid point 346 (187/294) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -11.926 24.435 16.407) 31.756 2.273 ( 7.455 32.326 22.108) 39.866 3.051 ( -14.854 16.504 20.989) 30.555 4.583 ( -8.079 1.164 -3.294) 8.802 5.114 ( -4.384 0.291 -3.410) 5.562 5.742 ( 0.487 -13.212 -1.173) 13.273 6.597 ( 9.114 0.974 1.861) 9.353 6.985 ( 6.408 11.159 -0.722) 12.888 7.002 ( -4.522 15.359 2.369) 16.185 7.396 ( -6.394 -12.369 -1.479) 14.002 7.720 ( -6.897 -8.030 -3.178) 11.052 8.213 ( -4.152 -2.627 0.796) 4.977 10.814 ( 0.803 -4.330 -3.102) 5.387 11.089 ( -14.455 2.539 -7.117) 16.311 11.312 ( 8.881 18.303 0.916) 20.365 11.616 ( -8.990 2.742 3.990) 10.211 12.638 ( 14.062 -6.769 -4.515) 16.247 13.041 ( 10.736 -4.097 1.391) 11.575 18.491 ( -2.041 -7.852 -0.868) 8.159 18.569 ( 3.565 -0.202 0.511) 3.607 18.999 ( 0.147 -0.659 -2.092) 2.198 19.051 ( 0.449 -0.750 -0.230) 0.904 21.238 ( 3.755 -6.501 4.824) 8.923 21.568 ( 9.790 -17.659 11.831) 23.402 27.827 ( 0.697 -1.746 -0.544) 1.957 27.952 ( 0.413 0.238 -0.078) 0.483 36.493 ( -12.132 -1.843 -2.570) 12.538 36.667 ( -0.562 3.655 0.109) 3.700 37.331 ( -12.149 15.460 2.517) 19.823 38.533 ( -18.622 54.031 -40.498) 70.045 ======================= Grid point 347 (188/294) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -4.948 27.464 14.151) 31.289 2.552 ( -11.688 18.765 21.010) 30.499 3.410 ( 6.148 25.643 13.093) 29.441 4.511 ( 5.215 3.433 -7.539) 9.788 5.119 ( 4.508 5.297 -0.390) 6.967 5.698 ( 7.317 -13.410 4.814) 16.017 6.442 ( -16.576 -9.639 -5.181) 19.863 7.024 ( -4.852 2.381 -1.598) 5.636 7.124 ( -2.903 17.421 -3.809) 18.068 7.415 ( 6.995 0.992 3.038) 7.690 7.663 ( 8.580 -2.880 4.402) 10.064 8.142 ( 0.893 -3.611 0.027) 3.720 10.666 ( -9.277 -0.943 0.769) 9.357 11.035 ( 2.496 3.986 -5.706) 7.394 11.494 ( -1.870 4.684 4.474) 6.742 11.664 ( 5.984 11.561 -0.096) 13.018 12.664 ( 1.332 -7.843 -6.047) 9.992 13.093 ( -2.113 -5.214 -2.056) 5.990 18.410 ( 2.585 -6.773 -0.621) 7.276 18.613 ( 1.299 -0.489 0.260) 1.412 18.949 ( -2.262 -3.778 -1.872) 4.784 19.030 ( -1.592 -1.635 0.456) 2.327 21.222 ( 0.116 -8.253 4.421) 9.363 21.521 ( -0.162 -17.084 9.809) 19.700 27.815 ( 0.403 -1.835 -0.623) 1.980 27.951 ( -0.667 0.405 -0.117) 0.789 36.399 ( 5.321 1.474 -1.059) 5.622 36.796 ( 2.365 11.820 -1.015) 12.097 37.273 ( -7.752 11.615 2.040) 14.113 38.763 ( 0.501 52.035 -34.614) 62.499 ======================= Grid point 348 (189/294) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 6.567 29.625 11.537) 32.464 2.667 ( -7.989 15.822 24.631) 30.345 3.556 ( -4.454 11.124 -10.448) 15.898 4.790 ( 18.565 5.149 -4.048) 19.686 5.336 ( 6.643 9.153 2.947) 11.687 5.788 ( 15.620 -8.995 6.576) 19.187 5.990 ( -19.936 -9.714 -4.948) 22.722 6.929 ( -2.355 -8.294 -1.484) 8.748 7.197 ( -9.326 25.078 -3.898) 27.039 7.489 ( 2.365 3.516 -3.490) 5.490 7.896 ( 11.730 -2.479 7.370) 14.073 8.222 ( 10.663 -2.667 3.235) 11.458 10.573 ( -2.285 -0.141 3.729) 4.376 11.049 ( -4.451 4.552 -1.364) 6.511 11.600 ( 6.403 6.377 0.560) 9.054 11.877 ( 7.810 5.824 1.096) 9.804 12.464 ( -13.055 -7.199 -6.982) 16.462 12.872 ( -11.066 -8.276 -0.134) 13.819 18.418 ( 3.110 -2.421 -3.348) 5.171 18.632 ( 3.011 -1.827 1.307) 3.757 18.830 ( -3.489 -7.866 -1.503) 8.736 18.968 ( -4.508 -1.077 0.758) 4.696 21.138 ( -2.572 -7.695 3.738) 8.934 21.384 ( -3.693 -11.295 7.085) 13.835 27.804 ( 0.401 -0.611 -1.040) 1.271 27.944 ( -0.634 0.768 -0.000) 0.996 36.636 ( 19.998 -0.138 -2.268) 20.127 36.890 ( -6.065 14.851 -1.185) 16.085 37.394 ( 6.182 11.003 4.627) 13.442 39.091 ( 4.507 37.130 -29.463) 47.613 ======================= Grid point 349 (190/294) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -4.143 9.819 16.278) 19.457 2.961 ( 9.474 32.660 10.962) 35.730 3.631 ( 10.732 9.176 -9.047) 16.770 5.094 ( 17.849 0.844 -6.641) 19.063 5.416 ( -4.987 3.388 0.902) 6.096 5.536 ( -15.750 -9.714 -4.213) 18.978 6.099 ( 18.035 -3.935 -0.099) 18.459 6.796 ( -1.617 -9.453 1.137) 9.657 7.273 ( -8.524 24.646 -4.785) 26.514 7.573 ( 2.623 7.376 1.057) 7.899 8.049 ( 7.011 -4.997 5.546) 10.241 8.392 ( 9.057 -4.987 2.786) 10.708 10.613 ( 4.108 -0.640 5.833) 7.163 10.976 ( -9.021 5.298 0.412) 10.470 11.769 ( 4.601 4.142 0.024) 6.191 11.968 ( -16.247 -1.600 -1.677) 16.412 12.130 ( 2.458 -1.989 -0.038) 3.162 12.660 ( -4.643 -6.493 -0.383) 7.991 18.394 ( -2.813 1.357 -3.988) 5.065 18.638 ( -2.343 -7.349 -3.334) 8.404 18.749 ( 5.615 -3.675 2.956) 7.333 18.866 ( -5.228 -2.300 0.677) 5.751 21.043 ( -2.745 -4.819 2.626) 6.136 21.254 ( -3.906 -7.679 4.094) 9.538 27.811 ( 0.964 0.943 -1.016) 1.689 27.945 ( -0.311 0.955 -0.011) 1.005 36.881 ( -2.951 8.809 0.858) 9.329 37.015 ( 18.927 4.073 -7.669) 20.823 37.674 ( 8.724 9.541 8.271) 15.348 39.339 ( 5.438 23.722 -21.530) 32.493 ======================= Grid point 350 (191/294) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -3.034 7.824 0.769) 8.427 3.447 ( 2.345 28.804 10.435) 30.725 3.989 ( 23.802 4.304 -2.352) 24.302 5.113 ( -18.171 -0.481 4.864) 18.817 5.416 ( 15.116 2.432 -0.139) 15.311 5.453 ( 6.721 4.553 -11.591) 14.151 6.199 ( 9.431 -15.269 -8.491) 19.854 6.692 ( -2.586 -9.285 0.447) 9.649 7.315 ( -8.959 20.082 -6.734) 22.998 7.729 ( 1.031 10.047 8.302) 13.074 8.090 ( -0.240 -4.696 4.659) 6.619 8.443 ( 4.784 -8.554 1.962) 9.996 10.741 ( 7.655 -2.530 6.489) 10.349 10.857 ( -10.882 5.314 0.760) 12.134 11.557 ( -15.896 -6.803 2.433) 17.461 11.873 ( 0.492 4.079 0.812) 4.188 12.263 ( 7.553 -0.577 -1.423) 7.708 12.568 ( -1.227 -2.797 -0.547) 3.103 18.329 ( -4.382 2.935 -3.322) 6.233 18.495 ( -2.572 -7.692 -1.146) 8.191 18.735 ( -6.491 0.938 0.382) 6.570 18.876 ( 8.572 -5.079 0.635) 9.984 20.982 ( -1.606 -2.187 1.372) 3.040 21.142 ( -3.535 -5.366 1.995) 6.728 27.845 ( 1.799 1.927 -0.497) 2.683 27.948 ( -0.553 0.966 -0.106) 1.119 36.906 ( -5.390 11.951 -0.227) 13.112 37.327 ( 18.532 -0.031 -8.639) 20.447 37.915 ( 4.446 6.204 7.922) 11.001 39.546 ( 8.181 13.381 -11.928) 19.705 ======================= Grid point 351 (192/294) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -2.027 4.442 -9.212) 10.426 3.657 ( -11.791 19.279 7.217) 23.723 4.383 ( 20.757 -3.509 -3.185) 21.291 4.959 ( -5.171 5.518 9.248) 11.946 5.500 ( -0.638 14.803 -12.695) 19.511 5.759 ( 13.251 -6.288 1.191) 14.715 6.238 ( 20.437 -5.057 -5.123) 21.668 6.466 ( -10.176 -11.955 -3.623) 16.112 7.296 ( -10.070 14.893 -5.643) 18.843 7.833 ( -5.448 8.691 9.187) 13.770 8.021 ( -2.468 -6.034 5.191) 8.333 8.451 ( 3.855 -8.318 3.412) 9.782 10.673 ( -12.756 3.066 -1.213) 13.176 10.902 ( 7.466 -4.182 6.437) 10.708 11.328 ( -4.845 -7.058 3.101) 9.105 11.929 ( 1.445 3.035 2.518) 4.200 12.333 ( 3.116 -1.142 -2.494) 4.151 12.529 ( -1.217 -1.028 -0.700) 1.740 18.286 ( -1.920 3.044 -3.053) 4.719 18.401 ( -2.119 -3.356 2.166) 4.522 18.660 ( -2.231 0.303 -1.206) 2.554 18.950 ( 5.174 -4.584 -0.548) 6.934 20.955 ( -0.604 -0.668 0.411) 0.990 21.050 ( -2.859 -3.476 0.942) 4.598 27.899 ( 2.025 1.998 -0.265) 2.857 27.942 ( -1.039 0.840 0.180) 1.348 36.932 ( -5.335 12.173 -0.371) 13.296 37.543 ( 11.961 -1.046 -7.070) 13.934 38.010 ( -1.934 2.787 3.062) 4.570 39.770 ( 11.741 5.743 -3.990) 13.666 ======================= Grid point 352 (193/294) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -1.272 2.464 -9.413) 9.813 3.527 ( -21.613 11.365 3.000) 24.603 4.555 ( 9.421 -10.563 -4.008) 14.710 5.133 ( 6.929 12.884 7.991) 16.670 5.496 ( -5.124 4.981 -12.372) 14.288 5.791 ( 6.654 -8.064 -5.137) 11.649 6.157 ( -10.285 -6.496 -1.082) 12.213 6.700 ( 21.654 8.770 2.597) 23.506 7.199 ( -11.342 8.839 -2.490) 14.594 7.846 ( -5.489 4.872 7.737) 10.665 7.982 ( 0.892 -4.459 6.577) 7.996 8.406 ( -1.686 -8.827 1.657) 9.138 10.466 ( -11.891 2.554 -3.497) 12.655 10.960 ( 0.506 -4.540 5.310) 7.004 11.291 ( 7.561 -9.067 4.670) 12.696 12.003 ( 2.664 0.800 2.165) 3.525 12.324 ( -2.205 0.233 -2.062) 3.028 12.511 ( 0.934 -0.290 -0.611) 1.153 18.289 ( 1.736 0.350 -2.100) 2.747 18.390 ( -1.583 4.486 3.922) 6.166 18.654 ( 2.498 -0.299 -2.504) 3.550 18.953 ( 1.638 -5.146 -1.734) 5.672 20.935 ( -1.713 -0.863 0.153) 1.924 21.000 ( -0.247 -1.063 0.546) 1.220 27.912 ( -1.502 0.615 -0.754) 1.790 27.963 ( 1.446 1.338 0.872) 2.154 36.954 ( -6.018 11.942 -0.297) 13.376 37.638 ( 3.778 -2.874 -1.153) 4.885 37.948 ( -6.310 0.708 -4.180) 7.602 40.008 ( 13.298 0.982 -1.309) 13.398 ======================= Grid point 353 (194/294) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( -7.206 0.473 -0.124) 7.222 3.283 ( -17.605 10.768 0.149) 20.638 4.450 ( -4.063 -14.901 -4.824) 16.181 5.293 ( -3.950 4.608 -2.160) 6.442 5.479 ( 4.410 3.383 -0.988) 5.646 5.809 ( 5.036 2.181 -13.941) 14.982 6.070 ( 4.530 0.535 4.311) 6.276 6.815 ( -16.943 0.320 1.725) 17.034 7.244 ( 6.884 7.460 3.407) 10.708 7.800 ( -7.066 -1.364 10.580) 12.796 8.037 ( 3.449 1.889 -0.536) 3.968 8.237 ( -7.251 -8.679 -0.862) 11.342 10.345 ( -3.390 4.172 -0.925) 5.455 10.934 ( -0.690 -2.517 3.991) 4.769 11.426 ( 15.168 -10.505 7.020) 19.741 12.028 ( 0.443 -2.551 -0.483) 2.634 12.251 ( -6.006 1.349 -1.115) 6.256 12.551 ( 3.484 0.490 -0.334) 3.534 18.338 ( 4.632 -0.498 0.747) 4.718 18.461 ( -0.187 8.240 2.703) 8.674 18.699 ( 4.694 -0.722 -4.039) 6.235 18.900 ( 0.036 -5.044 -2.637) 5.692 20.891 ( -2.304 -0.739 1.130) 2.670 21.017 ( 1.890 0.225 0.347) 1.935 27.883 ( -1.766 0.226 -0.442) 1.834 27.993 ( 0.431 0.546 0.236) 0.735 36.954 ( -6.947 10.616 -0.130) 12.688 37.589 ( -6.997 -5.606 7.537) 11.713 37.803 ( -5.742 1.453 -11.682) 13.098 40.209 ( 11.753 -1.691 -4.586) 12.729 ======================= Grid point 358 (195/294) ======================= q-point: ( 0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -10.928 17.388 16.043) 26.061 2.609 ( 2.726 39.850 12.995) 42.004 3.502 ( -17.784 12.374 -1.465) 21.715 4.837 ( -14.765 0.249 2.361) 14.955 5.079 ( 1.780 -9.598 0.986) 9.811 5.673 ( -6.162 -7.403 -7.204) 12.028 6.471 ( 7.299 -0.825 4.628) 8.682 6.918 ( 8.495 11.797 1.354) 14.600 7.197 ( -0.015 1.171 -6.462) 6.567 7.403 ( -6.106 8.142 -2.927) 10.590 7.850 ( -11.544 -7.392 5.862) 14.909 8.317 ( -8.842 -2.912 2.364) 9.605 10.697 ( 4.684 -3.101 -0.606) 5.650 11.326 ( -7.536 2.781 -10.194) 12.978 11.367 ( 1.364 14.185 4.492) 14.941 11.733 ( 0.134 -6.480 8.420) 10.626 12.298 ( 11.427 -1.464 -3.577) 12.063 12.818 ( 9.992 -5.138 0.710) 11.258 18.403 ( 3.636 -5.268 -1.860) 6.666 18.536 ( -0.958 -3.826 1.438) 4.198 18.943 ( 4.689 0.040 -2.549) 5.337 19.042 ( -1.529 -1.213 -1.547) 2.491 21.109 ( 5.379 -6.443 4.693) 9.616 21.362 ( 6.585 -7.961 7.491) 12.761 27.803 ( -0.210 -0.898 -1.082) 1.422 27.950 ( 0.743 1.151 -0.102) 1.374 36.592 ( 0.693 5.790 -3.182) 6.643 36.851 ( -18.998 -4.204 2.895) 19.672 37.743 ( -13.069 18.787 2.429) 23.014 39.024 ( -14.588 28.986 -34.830) 47.604 ======================= Grid point 359 (196/294) ======================= q-point: ( 0.33 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -8.082 20.289 11.997) 24.918 2.986 ( -9.042 21.293 7.717) 24.387 3.577 ( 6.711 21.762 4.133) 23.146 4.596 ( -10.894 2.668 -3.303) 11.692 5.073 ( 4.257 0.370 3.456) 5.496 5.535 ( 0.659 -7.788 0.410) 7.826 6.573 ( -2.662 -1.751 2.612) 4.120 6.887 ( -4.412 -11.002 -12.522) 17.242 7.221 ( 11.188 -6.256 -4.950) 13.741 7.474 ( -5.623 23.687 0.772) 24.358 7.750 ( -4.607 8.966 14.352) 17.538 8.164 ( -6.601 -3.896 2.337) 8.013 10.744 ( 0.885 -1.684 0.291) 1.925 11.064 ( -7.897 2.323 -6.757) 10.650 11.575 ( 0.480 1.631 8.687) 8.852 11.739 ( -0.806 9.024 -0.054) 9.060 12.443 ( 10.234 -6.915 -6.503) 13.959 12.952 ( 9.522 -5.142 -1.197) 10.888 18.317 ( -0.779 -8.522 0.016) 8.558 18.574 ( 3.332 0.332 -0.055) 3.349 18.948 ( -3.106 -3.335 -2.554) 5.225 19.008 ( 2.267 -1.872 -0.247) 2.950 21.132 ( 2.886 -7.826 3.894) 9.205 21.392 ( 3.329 -11.007 6.967) 13.445 27.789 ( 0.249 -1.023 -0.661) 1.244 27.965 ( -0.188 1.112 -0.444) 1.212 36.484 ( -11.281 1.874 0.347) 11.441 36.812 ( 6.378 10.231 0.001) 12.056 37.637 ( -17.039 13.363 1.815) 21.730 39.064 ( -2.195 37.201 -30.245) 47.995 ======================= Grid point 360 (197/294) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 0.114 15.842 4.625) 16.503 3.032 ( -6.835 12.338 13.855) 19.772 3.740 ( -5.434 10.436 -11.757) 16.633 4.632 ( 4.704 9.473 2.375) 10.840 5.301 ( 9.172 8.912 5.753) 14.023 5.530 ( 8.312 -4.216 1.251) 9.404 6.267 ( -21.268 -2.811 -2.301) 21.576 6.791 ( 4.756 -12.143 -4.011) 13.644 7.315 ( 12.172 -6.252 -5.178) 14.630 7.589 ( -7.906 23.835 -3.026) 25.294 7.892 ( -1.702 4.033 10.341) 11.229 8.115 ( 2.394 3.898 7.771) 9.018 10.661 ( -5.505 -2.468 2.750) 6.630 11.087 ( 3.979 5.581 -2.952) 7.463 11.601 ( 0.328 1.619 5.563) 5.803 11.851 ( 2.656 7.356 -0.470) 7.835 12.426 ( 1.331 -8.066 -7.818) 11.312 12.931 ( -3.967 -8.319 -3.262) 9.777 18.277 ( 4.716 -5.856 -0.035) 7.519 18.612 ( 0.824 0.353 -0.192) 0.917 18.811 ( -4.398 -7.783 -2.109) 9.185 19.014 ( -0.909 -0.371 0.451) 1.081 21.099 ( 0.168 -7.236 3.018) 7.842 21.340 ( -0.330 -10.553 5.421) 11.868 27.786 ( 0.544 -0.126 -0.538) 0.775 27.963 ( -0.731 0.908 -0.582) 1.303 36.446 ( 3.568 3.556 -0.133) 5.039 37.059 ( 5.430 13.122 2.661) 14.448 37.524 ( -9.171 11.847 0.935) 15.012 39.267 ( 0.626 32.507 -25.158) 41.110 ======================= Grid point 361 (198/294) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 11.615 3.145 4.011) 12.684 3.154 ( -0.620 11.573 14.725) 18.739 3.729 ( -3.140 20.658 -8.464) 22.544 4.813 ( 8.937 4.699 -4.430) 11.026 5.370 ( 1.763 -5.976 0.128) 6.232 5.757 ( -0.063 -3.346 4.387) 5.518 5.948 ( -8.850 10.492 -6.113) 15.025 6.711 ( 1.001 -9.879 0.659) 9.951 7.467 ( 12.579 -3.049 -0.948) 12.978 7.655 ( -8.841 22.467 -3.801) 24.441 7.917 ( 4.849 -4.959 3.279) 7.671 8.298 ( 2.646 6.512 8.966) 11.393 10.604 ( -0.346 -2.647 5.181) 5.828 11.147 ( -3.338 4.710 1.484) 5.960 11.726 ( 6.464 5.817 0.882) 8.741 11.954 ( 4.602 2.239 -1.612) 5.366 12.244 ( -10.166 -6.870 -6.651) 13.957 12.689 ( -8.521 -9.187 -1.195) 12.587 18.335 ( 6.151 -2.206 -3.505) 7.415 18.619 ( -1.819 -1.527 0.296) 2.393 18.644 ( -1.207 -8.382 0.145) 8.470 18.968 ( -4.766 0.027 1.113) 4.894 21.039 ( -1.196 -5.074 2.033) 5.596 21.245 ( -2.102 -8.494 3.506) 9.426 27.801 ( 0.901 1.282 -0.496) 1.644 27.958 ( -0.376 0.707 -0.555) 0.975 36.632 ( 14.244 1.705 -2.235) 14.519 37.194 ( -6.588 14.876 1.283) 16.320 37.640 ( 7.874 8.506 5.373) 12.776 39.438 ( -0.147 24.628 -19.282) 31.279 ======================= Grid point 362 (199/294) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -0.319 1.049 5.107) 5.223 3.499 ( 19.452 8.910 11.496) 24.288 3.934 ( 0.277 24.661 -0.331) 24.665 5.024 ( 17.106 1.287 -7.450) 18.703 5.376 ( 3.082 2.224 -4.039) 5.546 5.497 ( -16.759 -3.148 7.326) 18.560 5.947 ( -0.169 -2.795 -13.132) 13.427 6.642 ( -1.194 -6.579 -0.491) 6.704 7.629 ( -0.314 6.457 -0.559) 6.489 7.723 ( 1.888 10.698 1.774) 11.007 8.019 ( 9.463 -3.196 2.878) 10.395 8.360 ( -3.382 0.464 3.274) 4.730 10.640 ( 4.507 -4.199 6.452) 8.920 11.097 ( -8.789 4.994 2.369) 10.382 11.753 ( -11.756 -5.117 -3.840) 13.384 11.958 ( -4.814 4.239 0.799) 6.464 12.101 ( 8.085 -1.294 -1.163) 8.270 12.535 ( -0.880 -5.142 -1.439) 5.412 18.357 ( 1.011 -1.174 -6.098) 6.291 18.475 ( -4.325 -5.281 -0.567) 6.849 18.696 ( 6.636 -3.938 3.158) 8.337 18.876 ( -6.790 1.235 1.732) 7.115 20.988 ( -1.146 -2.689 1.081) 3.117 21.146 ( -2.466 -6.194 1.831) 6.914 27.836 ( 1.384 2.186 -0.237) 2.599 27.959 ( -0.005 0.619 -0.515) 0.805 36.889 ( 15.414 -0.737 -3.217) 15.763 37.227 ( -4.988 15.441 -2.477) 16.415 37.905 ( 8.743 4.592 9.406) 13.638 39.557 ( 0.482 16.514 -12.561) 20.754 ======================= Grid point 363 (200/294) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -6.353 6.717 0.251) 9.248 3.961 ( 18.824 2.183 8.585) 20.804 4.118 ( -5.907 16.827 3.576) 18.189 5.180 ( -9.101 0.913 5.764) 10.812 5.421 ( 17.987 -2.621 1.366) 18.229 5.570 ( 10.292 16.453 -9.028) 21.404 5.799 ( 4.753 -11.154 -12.735) 17.584 6.497 ( -6.718 -5.936 -4.601) 10.077 7.604 ( -10.424 12.479 -3.029) 16.540 7.861 ( 6.109 -6.162 7.389) 11.397 8.154 ( -2.796 7.999 2.419) 8.812 8.274 ( 2.343 -9.490 0.405) 9.783 10.730 ( 7.153 -5.416 6.628) 11.154 10.972 ( -12.823 5.181 0.979) 13.864 11.421 ( -12.713 -7.733 -0.919) 14.909 11.975 ( -1.182 3.032 3.419) 4.720 12.220 ( 6.774 -0.308 -3.331) 7.555 12.502 ( 1.334 -2.700 -1.726) 3.471 18.314 ( 0.162 -2.336 -3.942) 4.585 18.384 ( -2.428 -1.139 -0.180) 2.688 18.729 ( -1.775 -1.996 0.241) 2.682 18.843 ( 1.587 0.457 2.738) 3.197 20.959 ( -0.553 -0.972 0.347) 1.171 21.061 ( -2.253 -4.119 0.795) 4.762 27.887 ( 1.843 2.232 0.119) 2.897 27.960 ( -0.340 0.505 -0.441) 0.752 37.070 ( 5.094 3.335 -0.696) 6.129 37.328 ( 5.281 8.834 -6.623) 12.239 38.082 ( 1.833 2.425 8.433) 8.964 39.669 ( 4.210 8.641 -5.987) 11.324 ======================= Grid point 364 (201/294) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -8.117 10.749 -1.617) 13.566 4.051 ( -20.023 12.777 2.843) 23.922 4.240 ( 13.420 -7.499 1.310) 15.429 5.176 ( 2.756 4.916 9.874) 11.369 5.430 ( -0.646 -17.086 -6.583) 18.322 5.724 ( 1.096 13.721 -8.705) 16.286 6.212 ( 28.999 3.697 -2.812) 29.369 6.307 ( -0.898 2.362 -4.215) 4.915 7.485 ( -13.823 7.674 -2.467) 16.002 7.893 ( 3.822 -10.432 8.504) 13.991 8.077 ( -8.244 3.047 3.448) 9.441 8.302 ( 3.786 -5.511 -1.171) 6.788 10.729 ( -14.434 3.905 -1.084) 14.992 10.876 ( 5.406 -3.692 4.979) 8.225 11.196 ( -4.143 -8.803 1.412) 9.831 12.000 ( 0.157 0.584 2.226) 2.307 12.296 ( 3.730 0.943 -2.411) 4.540 12.487 ( 0.688 -2.232 -0.975) 2.531 18.283 ( -0.823 0.485 -2.515) 2.690 18.378 ( 3.177 -1.896 1.528) 4.003 18.681 ( -2.745 2.289 -0.680) 3.639 18.880 ( 1.449 -1.890 0.672) 2.475 20.949 ( -0.451 -0.126 -0.018) 0.469 20.999 ( -1.307 -2.353 0.429) 2.725 27.933 ( 0.237 1.801 -0.418) 1.864 27.956 ( 0.433 0.045 0.371) 0.572 37.141 ( -2.651 7.805 0.108) 8.244 37.476 ( 9.335 0.711 -5.314) 10.765 38.094 ( -6.879 2.594 3.820) 8.285 39.816 ( 8.803 2.463 -2.071) 9.373 ======================= Grid point 365 (202/294) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( -7.598 12.339 1.351) 14.554 3.793 ( -22.974 12.519 1.502) 26.207 4.288 ( 3.479 -12.388 -2.022) 13.025 5.195 ( 0.667 -17.286 -6.287) 18.406 5.440 ( 10.017 9.665 6.754) 15.472 5.782 ( 0.586 6.804 -5.696) 8.892 6.158 ( -9.321 7.585 -2.855) 12.352 6.812 ( 20.333 3.053 -5.290) 21.231 7.303 ( -8.729 1.640 2.623) 9.260 7.904 ( 1.564 -8.014 10.719) 13.474 7.997 ( -3.343 -2.563 0.941) 4.317 8.247 ( -2.894 -2.311 -2.912) 4.711 10.516 ( -11.470 5.357 -1.729) 12.777 10.933 ( 0.050 -2.835 3.286) 4.340 11.145 ( 7.913 -9.853 4.504) 13.416 12.005 ( 0.093 -1.463 -0.283) 1.493 12.330 ( -1.207 2.335 -1.414) 2.985 12.493 ( 2.956 -1.574 0.678) 3.417 18.281 ( 1.286 0.483 -0.477) 1.454 18.447 ( 5.475 -2.432 1.349) 6.141 18.683 ( -0.385 4.515 -1.168) 4.680 18.861 ( -1.093 -1.186 -1.578) 2.256 20.926 ( -1.881 -0.269 0.575) 1.985 20.989 ( 1.347 -0.579 0.160) 1.475 27.916 ( -2.022 0.396 -0.306) 2.083 27.985 ( 1.280 0.196 0.149) 1.304 37.135 ( -5.347 4.458 0.046) 6.962 37.595 ( 6.078 -0.828 0.099) 6.135 37.957 ( -12.923 4.403 -1.762) 13.766 39.980 ( 10.322 -0.817 -3.131) 10.817 ======================= Grid point 370 (203/294) ======================= q-point: ( 0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( -8.520 13.833 14.264) 21.620 3.083 ( -5.878 39.501 0.252) 39.937 3.964 ( -23.075 13.893 -7.728) 28.021 4.827 ( 6.100 -11.130 -0.539) 12.703 5.110 ( -10.640 -4.538 7.565) 13.822 5.669 ( -2.538 -3.560 -9.426) 10.391 6.358 ( 0.639 -7.702 -4.414) 8.900 6.846 ( 8.420 -4.276 1.572) 9.573 7.252 ( -5.111 10.798 2.386) 12.182 7.594 ( -0.160 13.227 -0.567) 13.240 7.934 ( -2.969 -5.372 4.364) 7.531 8.425 ( -6.487 -6.095 1.111) 8.971 10.630 ( 2.122 0.282 3.912) 4.459 11.245 ( 13.747 3.182 -0.415) 14.117 11.516 ( 0.229 5.964 6.823) 9.066 11.680 ( -5.157 -5.000 0.002) 7.183 12.247 ( -2.918 -0.131 -2.112) 3.604 12.619 ( 7.087 -4.812 -0.517) 8.582 18.277 ( 4.845 -2.613 -1.229) 5.640 18.509 ( 0.098 -5.565 1.308) 5.718 18.836 ( 5.491 0.533 -2.987) 6.274 19.060 ( -2.810 -1.261 -1.989) 3.666 21.005 ( 3.258 -3.426 3.205) 5.712 21.228 ( 5.308 -5.253 3.785) 8.372 27.812 ( -1.798 0.519 -0.882) 2.069 27.944 ( 1.264 1.068 -0.183) 1.665 36.615 ( 1.578 6.334 -2.292) 6.918 37.170 ( -19.736 -3.655 3.503) 20.375 38.107 ( -6.468 17.116 -1.506) 18.359 39.311 ( -13.469 14.416 -21.760) 29.373 ======================= Grid point 371 (204/294) ======================= q-point: ( 0.33 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( -7.197 13.005 8.691) 17.218 3.414 ( -9.147 27.604 4.215) 29.384 3.769 ( -8.292 18.448 -4.919) 20.816 4.710 ( -5.161 -4.135 -4.633) 8.075 5.047 ( 2.541 -0.484 9.905) 10.237 5.523 ( -4.629 -2.637 -3.098) 6.163 6.391 ( 12.429 -6.520 -6.056) 15.286 6.908 ( 8.046 -12.651 -3.830) 15.474 7.078 ( -19.510 0.525 -0.656) 19.528 7.756 ( -1.417 19.412 1.140) 19.497 7.952 ( 0.146 7.654 8.454) 11.405 8.274 ( -6.524 -2.881 3.419) 7.909 10.699 ( 2.407 1.690 2.361) 3.771 11.191 ( -9.362 -3.874 -7.212) 12.436 11.595 ( 2.187 -6.277 9.668) 11.733 11.782 ( 6.416 10.407 1.769) 12.354 12.225 ( 3.936 -1.873 -4.551) 6.302 12.720 ( 10.160 -4.816 -0.529) 11.257 18.259 ( -1.093 -6.484 -0.383) 6.587 18.512 ( 3.720 -0.693 0.482) 3.814 18.919 ( 5.000 -2.003 -1.097) 5.497 18.963 ( -3.733 -2.728 -2.848) 5.430 21.034 ( 2.842 -4.770 2.826) 6.230 21.266 ( 4.010 -7.584 3.902) 9.425 27.789 ( -1.046 0.538 -0.419) 1.249 27.971 ( 0.600 1.239 -0.664) 1.528 36.726 ( -4.651 8.365 0.017) 9.571 36.851 ( -8.417 2.487 1.376) 8.884 38.061 ( -15.177 11.444 0.896) 19.029 39.255 ( -2.015 23.683 -22.029) 32.407 ======================= Grid point 372 (205/294) ======================= q-point: ( 0.42 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -8.788 3.763 -0.843) 9.597 3.344 ( -12.594 11.295 3.456) 17.267 3.826 ( -3.856 9.530 -8.999) 13.662 4.735 ( 1.626 8.870 7.984) 12.045 5.260 ( 7.959 4.190 7.592) 11.770 5.468 ( 1.917 9.229 -2.332) 9.710 6.504 ( 10.018 -11.445 -7.774) 17.082 6.639 ( -21.113 2.236 2.371) 21.363 6.981 ( 12.116 -12.213 -2.799) 17.430 7.860 ( -6.330 12.335 -5.360) 14.865 8.013 ( -3.895 1.644 6.451) 7.713 8.296 ( -1.068 14.880 11.192) 18.650 10.704 ( -3.029 -4.935 1.733) 6.044 11.060 ( 1.207 3.498 -3.511) 5.101 11.616 ( 1.824 -4.293 6.717) 8.178 11.911 ( -0.560 7.821 -1.427) 7.970 12.260 ( 4.974 -4.268 -5.259) 8.403 12.811 ( 5.815 -7.035 -2.730) 9.527 18.181 ( 0.243 -5.556 1.430) 5.742 18.580 ( 3.358 0.893 -1.047) 3.629 18.803 ( -4.909 -8.107 -2.030) 9.692 18.996 ( 2.854 0.550 -0.488) 2.947 21.035 ( 1.409 -4.959 2.119) 5.574 21.254 ( 1.743 -8.538 3.367) 9.342 27.785 ( -0.204 1.087 0.001) 1.106 27.978 ( -0.420 0.812 -1.069) 1.407 36.553 ( -10.291 3.568 1.610) 11.010 37.048 ( 9.493 11.763 2.626) 15.343 37.880 ( -16.535 9.488 0.300) 19.066 39.411 ( 2.434 24.924 -19.085) 31.486 ======================= Grid point 373 (206/294) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 2.636 -5.476 -3.805) 7.170 3.329 ( -3.035 6.093 5.887) 9.000 3.854 ( 0.466 13.033 -4.834) 13.908 4.869 ( -1.230 9.061 5.713) 10.782 5.269 ( 1.085 -7.649 -0.067) 7.726 5.786 ( 4.251 19.640 -0.318) 20.097 6.248 ( -16.142 0.405 -2.695) 16.370 6.593 ( 3.345 -4.006 2.741) 5.895 7.128 ( 17.852 -10.279 0.137) 20.600 7.753 ( -2.238 -3.961 -5.342) 7.017 8.033 ( -6.261 13.076 0.979) 14.531 8.487 ( -2.876 14.914 9.691) 18.017 10.596 ( -1.647 -7.723 3.587) 8.673 11.172 ( 4.635 3.596 0.080) 5.867 11.678 ( 5.267 2.523 0.823) 5.898 11.945 ( -0.676 4.020 -2.752) 4.918 12.235 ( -0.777 -3.490 -4.121) 5.456 12.709 ( -5.008 -10.203 -3.131) 11.789 18.194 ( 5.030 -2.556 0.607) 5.674 18.600 ( -2.387 -6.246 -2.201) 7.040 18.641 ( -1.619 -1.745 -0.135) 2.384 19.021 ( -0.630 0.267 0.856) 1.096 21.011 ( 0.075 -3.949 1.341) 4.171 21.199 ( -0.265 -7.844 2.422) 8.214 27.804 ( 0.508 1.966 0.223) 2.043 27.967 ( -0.627 0.312 -1.210) 1.398 36.521 ( 1.332 3.586 0.168) 3.829 37.337 ( 7.080 9.372 6.792) 13.568 37.742 ( -8.565 9.713 -0.838) 12.977 39.584 ( 0.471 21.736 -14.711) 26.251 ======================= Grid point 374 (207/294) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 16.403 -3.943 6.457) 18.064 3.423 ( 5.460 4.609 5.829) 9.221 4.032 ( 6.980 12.145 -3.016) 14.329 4.935 ( -1.728 6.995 0.214) 7.209 5.261 ( 5.551 -3.511 0.410) 6.581 5.807 ( -14.467 6.183 4.020) 16.238 6.019 ( -10.927 4.044 -10.141) 15.446 6.617 ( -0.795 -0.591 0.063) 0.993 7.348 ( 18.152 -11.716 3.512) 21.888 7.761 ( 9.783 -2.716 -1.865) 10.323 8.045 ( -7.835 14.653 -2.027) 16.740 8.550 ( -8.094 8.816 3.598) 12.498 10.551 ( 2.755 -8.276 5.300) 10.206 11.225 ( -0.950 0.091 1.441) 1.729 11.815 ( 1.213 3.306 -4.180) 5.466 11.951 ( 2.811 2.952 -5.232) 6.632 12.118 ( -7.209 -2.175 1.642) 7.707 12.507 ( -3.943 -7.068 -1.600) 8.250 18.260 ( 3.813 -2.215 -3.344) 5.535 18.459 ( -1.118 -7.041 -0.082) 7.129 18.649 ( -0.064 1.311 1.550) 2.031 18.990 ( -4.057 0.570 1.762) 4.459 20.981 ( -0.466 -2.356 0.658) 2.490 21.125 ( -1.256 -6.132 1.361) 6.406 27.839 ( 0.883 2.269 0.309) 2.455 27.958 ( 0.071 0.274 -1.092) 1.128 36.645 ( 9.975 1.503 -1.894) 10.264 37.464 ( -5.160 8.963 3.904) 11.055 37.835 ( 7.692 5.990 4.249) 10.635 39.694 ( -2.579 17.234 -9.670) 19.929 ======================= Grid point 375 (208/294) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 5.258 3.471 7.368) 9.695 3.692 ( 15.909 0.035 10.212) 18.905 4.280 ( 10.377 9.212 -1.490) 13.956 5.007 ( 9.005 1.843 -3.023) 9.676 5.342 ( 5.936 -8.409 0.044) 10.293 5.613 ( -16.893 8.166 7.074) 20.052 5.839 ( -7.560 8.648 -12.202) 16.758 6.547 ( -5.023 0.897 -4.017) 6.494 7.513 ( 14.326 -15.141 3.925) 21.211 7.928 ( 5.043 3.476 -1.800) 6.384 8.060 ( -1.980 9.321 -0.716) 9.556 8.429 ( -11.809 2.503 -1.269) 12.137 10.580 ( 6.604 -7.522 5.839) 11.588 11.175 ( -4.797 -0.759 0.668) 4.902 11.595 ( -16.605 -4.125 -4.741) 17.754 12.034 ( -0.174 -1.723 1.569) 2.337 12.104 ( 4.921 5.990 -1.639) 7.924 12.439 ( 1.112 -2.252 -1.830) 3.107 18.229 ( 1.367 -5.470 -2.526) 6.178 18.426 ( -0.918 0.624 -2.108) 2.382 18.683 ( 1.849 -0.547 2.673) 3.296 18.931 ( -4.720 1.780 2.590) 5.670 20.959 ( -0.370 -0.995 0.159) 1.074 21.055 ( -1.447 -4.130 0.506) 4.405 27.878 ( 1.403 1.295 0.434) 1.958 27.963 ( 0.275 0.967 -0.880) 1.336 36.848 ( 14.037 -0.166 -2.960) 14.346 37.460 ( -5.751 7.945 0.712) 9.834 38.056 ( 8.223 2.278 7.010) 11.043 39.745 ( -3.618 12.037 -4.760) 13.440 ======================= Grid point 376 (209/294) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( -4.089 9.026 2.424) 10.201 3.943 ( 11.269 -6.554 5.516) 14.156 4.436 ( -4.921 6.719 2.648) 8.740 5.218 ( 0.041 -8.744 1.406) 8.856 5.265 ( 5.764 -2.301 -3.583) 7.166 5.593 ( 15.592 0.418 -0.173) 15.599 5.882 ( 2.592 14.875 -3.878) 15.590 6.468 ( -6.927 8.451 -1.454) 11.023 7.603 ( 9.851 -11.694 3.250) 15.631 7.882 ( -13.781 6.662 -3.951) 15.808 8.074 ( 1.170 -9.237 -1.240) 9.394 8.316 ( -2.631 4.854 0.153) 5.523 10.694 ( 9.551 -3.442 5.187) 11.401 11.054 ( -10.234 1.013 -0.121) 10.285 11.238 ( -13.952 -7.492 -3.759) 16.276 12.017 ( -1.044 -0.857 1.129) 1.761 12.226 ( 5.038 2.985 -0.997) 5.940 12.438 ( 1.148 -1.444 -1.623) 2.457 18.222 ( 3.975 -3.665 -0.293) 5.414 18.390 ( -3.201 2.289 -2.040) 4.433 18.704 ( 0.250 -0.645 0.750) 1.020 18.906 ( -2.422 2.351 2.456) 4.175 20.950 ( 0.043 -0.257 -0.122) 0.288 21.000 ( -1.364 -2.326 0.085) 2.698 27.917 ( 2.160 -0.121 0.487) 2.218 27.969 ( -0.753 1.472 -0.605) 1.761 37.075 ( 13.299 0.416 -2.280) 13.500 37.433 ( -3.684 2.600 0.043) 4.510 38.200 ( 1.567 2.818 4.366) 5.428 39.779 ( -0.843 6.684 -0.955) 6.804 ======================= Grid point 377 (210/294) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.184 ( -5.761 11.420 -0.191) 12.792 4.008 ( 3.093 -8.107 0.268) 8.681 4.310 ( -12.138 2.381 -0.268) 12.372 5.039 ( -4.400 -9.692 -2.039) 10.838 5.389 ( 7.671 5.635 4.562) 10.555 5.789 ( 3.205 1.014 -2.345) 4.099 6.311 ( 31.896 3.614 -2.220) 32.177 6.441 ( -10.419 12.063 2.424) 16.123 7.520 ( -14.151 -2.694 -1.757) 14.512 7.768 ( 7.646 -7.848 2.746) 11.296 7.975 ( -2.406 -7.428 -1.352) 7.924 8.320 ( -3.280 3.079 0.119) 4.501 10.801 ( -15.756 3.971 -1.411) 16.309 10.883 ( 6.816 0.999 2.716) 7.405 11.008 ( -1.574 -10.157 -1.321) 10.363 11.992 ( -0.777 -1.626 -0.051) 1.803 12.333 ( 3.743 3.377 0.266) 5.048 12.428 ( 1.217 -2.944 -0.194) 3.192 18.268 ( 3.047 -0.817 0.114) 3.156 18.363 ( -0.232 0.293 -0.150) 0.403 18.704 ( 0.018 0.264 0.040) 0.267 18.901 ( -2.062 3.091 -0.005) 3.715 20.953 ( -0.013 0.491 -0.029) 0.492 20.964 ( -0.511 -1.484 0.029) 1.570 27.947 ( 0.803 -0.870 0.018) 1.184 27.961 ( -0.582 0.987 -0.019) 1.146 37.216 ( 0.028 -0.212 -0.075) 0.226 37.438 ( 7.339 -2.236 0.106) 7.673 38.201 ( -7.413 5.690 -0.035) 9.345 39.850 ( 3.791 2.873 0.004) 4.757 ======================= Grid point 383 (211/294) ======================= q-point: ( 0.25 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( -5.992 9.230 7.264) 13.185 3.538 ( -4.473 37.252 -8.916) 38.564 4.337 ( -13.420 0.939 -14.099) 19.488 4.697 ( 0.580 -1.160 8.002) 8.107 5.354 ( -15.725 -3.452 10.105) 19.008 5.564 ( 3.476 0.550 -9.595) 10.220 6.282 ( -8.193 -12.862 -8.289) 17.358 6.638 ( 6.194 -9.774 0.215) 11.573 7.365 ( 16.063 10.843 4.100) 19.810 7.654 ( -2.009 5.064 3.497) 6.474 7.985 ( -3.171 4.017 1.725) 5.400 8.425 ( -2.138 -9.511 3.130) 10.238 10.624 ( 5.237 2.443 3.545) 6.779 11.071 ( 7.755 -0.203 6.045) 9.835 11.575 ( -0.126 1.800 5.429) 5.721 11.780 ( -6.459 2.134 -1.030) 6.880 12.264 ( -1.947 -3.948 -1.924) 4.804 12.489 ( 2.386 -3.475 -1.615) 4.514 18.185 ( 3.649 -0.608 -0.160) 3.703 18.435 ( 2.647 -4.276 0.550) 5.059 18.762 ( 2.030 0.758 -2.415) 3.244 19.087 ( -2.988 -1.479 -2.049) 3.913 20.959 ( 1.150 -1.229 1.556) 2.292 21.114 ( 4.441 -3.901 1.693) 6.149 27.862 ( -2.843 1.588 -0.475) 3.291 27.925 ( 1.722 0.596 0.008) 1.822 36.638 ( 1.690 5.923 -1.749) 6.403 37.464 ( -15.279 -2.204 3.744) 15.885 38.244 ( 3.358 10.714 -8.448) 14.051 39.596 ( -16.226 7.922 -7.585) 19.585 ======================= Grid point 384 (212/294) ======================= q-point: ( 0.33 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -7.001 7.607 1.671) 10.473 3.845 ( -4.109 31.139 2.962) 31.549 4.093 ( -12.501 7.863 -9.716) 17.677 4.749 ( -0.554 5.112 4.720) 6.980 5.127 ( -10.850 -0.083 7.612) 13.254 5.535 ( -0.467 -2.490 -4.350) 5.034 6.078 ( 6.382 -11.060 -12.306) 17.733 6.629 ( 6.726 -12.578 -0.901) 14.292 7.466 ( -19.813 2.144 4.890) 20.520 7.827 ( 14.631 9.241 4.507) 17.882 8.032 ( 0.503 11.096 -1.037) 11.156 8.314 ( -2.085 -6.913 3.006) 7.822 10.737 ( 0.985 5.056 3.633) 6.304 11.189 ( 1.112 -4.795 -1.936) 5.289 11.486 ( 0.462 -11.709 5.427) 12.914 11.847 ( 2.091 12.424 4.436) 13.357 12.179 ( -1.588 -2.896 -3.559) 4.855 12.528 ( 6.687 -3.670 -0.731) 7.663 18.222 ( 0.526 -1.868 0.039) 1.941 18.438 ( 3.063 -2.795 0.401) 4.166 18.808 ( 4.408 -1.507 -1.472) 4.885 18.990 ( -4.010 -2.421 -2.718) 5.415 20.975 ( 1.540 -2.101 1.570) 3.042 21.149 ( 3.860 -5.403 1.775) 6.874 27.831 ( -2.448 1.856 -0.045) 3.072 27.961 ( 1.462 0.945 -0.579) 1.835 36.781 ( 5.199 11.537 -0.442) 12.662 37.154 ( -19.540 -1.049 2.408) 19.716 38.318 ( -3.640 7.519 -4.624) 9.548 39.430 ( -8.090 13.405 -9.884) 18.516 ======================= Grid point 385 (213/294) ======================= q-point: ( 0.42 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( -10.234 -3.418 -4.536) 11.704 3.776 ( -22.773 10.662 -0.482) 25.150 4.010 ( -7.443 11.473 -3.301) 14.069 4.840 ( -1.669 8.536 9.292) 12.727 5.213 ( 6.301 5.570 5.900) 10.273 5.531 ( 3.560 12.083 -1.983) 12.752 6.131 ( 15.548 -8.382 -10.766) 20.686 6.627 ( 9.307 -14.267 0.539) 17.043 7.099 ( -24.195 1.358 3.029) 24.422 8.036 ( -8.975 -0.849 -1.096) 9.081 8.091 ( 3.587 9.388 1.236) 10.125 8.399 ( 9.360 8.458 5.367) 13.709 10.747 ( -6.177 -2.621 2.767) 7.258 11.059 ( -0.913 -1.323 -4.045) 4.352 11.506 ( 6.347 -7.955 4.215) 11.015 11.998 ( -1.045 8.109 0.023) 8.177 12.149 ( 3.336 -1.434 -1.150) 3.809 12.617 ( 7.747 -4.632 -1.327) 9.123 18.169 ( -2.622 -3.274 2.022) 4.657 18.505 ( 5.353 0.436 -1.394) 5.548 18.785 ( -2.830 -7.892 -1.092) 8.455 18.946 ( 2.464 1.432 -1.894) 3.422 20.983 ( 1.231 -2.537 1.215) 3.070 21.155 ( 2.584 -6.318 1.631) 7.018 27.817 ( -1.523 2.172 0.471) 2.695 27.980 ( 0.329 0.598 -1.179) 1.363 36.842 ( -17.496 2.367 2.414) 17.819 37.027 ( 8.097 12.391 1.981) 14.934 38.201 ( -12.592 3.255 -2.135) 13.180 39.495 ( 2.307 17.909 -10.643) 20.960 ======================= Grid point 386 (214/294) ======================= q-point: ( 0.50 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( -9.410 -8.940 -5.628) 14.147 3.518 ( -13.491 4.763 -0.848) 14.332 4.017 ( -5.305 12.290 3.315) 13.790 4.954 ( 2.337 3.595 7.717) 8.828 5.218 ( -2.196 -3.351 -1.634) 4.327 5.929 ( 7.657 28.008 -0.986) 29.052 6.242 ( 9.397 -8.181 -2.012) 12.621 6.704 ( 15.869 -14.150 0.617) 21.270 6.770 ( -18.028 5.733 4.017) 19.340 7.803 ( -10.912 -4.945 -3.538) 12.492 8.201 ( -0.644 8.409 -0.844) 8.476 8.657 ( 4.697 9.983 3.604) 11.606 10.566 ( -4.918 -10.614 2.462) 11.954 11.123 ( 4.245 3.839 -0.990) 5.809 11.573 ( 7.313 -1.642 -1.417) 7.628 11.997 ( -2.262 3.616 -3.680) 5.633 12.210 ( 1.530 1.088 1.911) 2.679 12.629 ( 1.186 -8.118 -2.540) 8.588 18.139 ( 0.608 -0.779 2.604) 2.785 18.564 ( -0.285 -3.109 -3.905) 5.000 18.637 ( -1.486 -3.953 0.408) 4.243 19.007 ( 2.782 0.440 0.354) 2.838 20.979 ( 0.543 -2.283 0.701) 2.449 21.130 ( 1.035 -6.258 1.265) 6.468 27.827 ( -0.420 2.465 0.823) 2.632 27.973 ( -0.627 0.072 -1.537) 1.662 36.641 ( -10.029 3.248 1.645) 10.669 37.310 ( 8.944 9.700 5.968) 14.481 37.997 ( -12.087 3.075 -2.141) 12.655 39.684 ( 3.509 17.851 -8.576) 20.113 ======================= Grid point 387 (215/294) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 10.092 -2.002 8.175) 13.141 3.405 ( -1.530 -0.131 -2.424) 2.869 4.085 ( -2.145 8.784 4.834) 10.254 5.026 ( -1.157 2.115 0.377) 2.440 5.178 ( 1.563 -0.846 1.749) 2.493 6.084 ( -4.936 7.762 -7.823) 12.075 6.239 ( -11.507 5.823 6.438) 14.414 6.676 ( -3.419 5.732 0.791) 6.722 6.890 ( 19.515 -14.345 0.426) 24.224 7.639 ( 0.252 -1.013 -1.361) 1.715 8.236 ( -2.883 7.278 -2.692) 8.278 8.755 ( -3.589 6.233 -1.821) 7.419 10.441 ( 0.919 -10.982 3.808) 11.660 11.183 ( 2.090 -2.319 -1.607) 3.511 11.730 ( 9.426 5.305 -4.349) 11.658 11.981 ( -2.102 4.339 -3.780) 6.127 12.211 ( -3.879 -0.371 2.977) 4.904 12.496 ( -3.784 -7.374 -1.724) 8.465 18.186 ( 2.333 0.733 0.127) 2.449 18.415 ( -2.847 -7.351 -1.247) 7.981 18.671 ( 1.164 2.361 0.336) 2.653 19.037 ( -0.154 -0.101 1.655) 1.666 20.967 ( 0.017 -1.520 0.240) 1.539 21.085 ( -0.147 -5.196 0.705) 5.245 27.854 ( 0.163 1.878 0.798) 2.047 27.955 ( -0.290 0.349 -1.430) 1.500 36.580 ( -0.891 2.079 0.202) 2.271 37.551 ( 5.277 3.353 9.721) 11.558 37.871 ( -4.214 5.030 -3.083) 7.250 39.848 ( -0.080 15.894 -5.149) 16.707 ======================= Grid point 388 (216/294) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( 17.564 4.789 17.827) 25.480 3.462 ( 12.886 -2.927 0.431) 13.222 4.157 ( 2.706 3.122 1.118) 4.280 4.991 ( -2.148 -0.283 -1.641) 2.718 5.225 ( 1.911 -1.557 1.441) 2.855 5.967 ( -8.909 1.952 -7.688) 11.929 6.087 ( -17.813 11.767 7.561) 22.648 6.645 ( -4.133 6.033 -3.750) 8.218 7.061 ( 18.709 -17.746 0.111) 25.787 7.771 ( 9.970 2.677 2.135) 10.542 8.235 ( -2.980 6.938 -3.446) 8.301 8.634 ( -11.259 0.307 -7.153) 13.343 10.419 ( 5.525 -8.537 4.335) 11.054 11.144 ( 0.400 -6.228 -3.989) 7.407 11.798 ( -8.213 -0.863 -3.302) 8.894 11.984 ( 1.782 4.721 -2.688) 5.718 12.150 ( -1.998 1.228 2.307) 3.290 12.419 ( -0.650 0.176 -0.333) 0.751 18.160 ( -0.968 -4.495 -2.160) 5.080 18.400 ( 3.139 1.017 -0.161) 3.303 18.703 ( -0.590 2.233 1.689) 2.862 19.022 ( -2.714 0.310 2.511) 3.711 20.954 ( -0.153 -0.978 -0.095) 0.995 21.037 ( -0.661 -3.287 0.097) 3.355 27.868 ( 0.445 -0.341 0.300) 0.636 27.966 ( 0.619 2.025 -0.722) 2.237 36.646 ( 7.420 0.179 -1.154) 7.511 37.608 ( -4.053 -0.066 6.620) 7.762 37.956 ( 7.968 3.295 0.892) 8.668 39.935 ( -4.557 13.192 -1.439) 14.031 ======================= Grid point 389 (217/294) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( 4.134 0.830 1.873) 4.614 3.771 ( 12.023 -2.106 15.042) 19.372 4.325 ( 15.939 -1.875 -1.444) 16.114 4.961 ( 5.627 -5.775 -2.324) 8.391 5.213 ( -1.186 1.375 -1.496) 2.353 5.749 ( -15.235 4.917 -0.258) 16.011 6.012 ( -5.389 7.311 1.307) 9.176 6.667 ( -3.875 11.367 2.952) 12.367 7.201 ( 18.469 -16.013 -1.123) 24.470 7.936 ( 5.501 -0.479 0.314) 5.530 8.216 ( -10.967 6.347 -3.644) 13.185 8.364 ( -6.126 -4.616 -7.557) 10.768 10.516 ( 9.842 -2.447 3.642) 10.776 11.046 ( -0.427 -7.969 -5.615) 9.758 11.503 ( -18.517 -3.726 -1.831) 18.976 12.043 ( -0.672 3.365 -0.299) 3.444 12.175 ( 2.610 0.466 0.504) 2.699 12.433 ( -0.459 3.048 -0.737) 3.169 18.124 ( 2.718 -3.353 -0.167) 4.319 18.447 ( -0.571 3.748 -2.143) 4.355 18.716 ( -0.933 1.135 1.911) 2.411 18.991 ( -3.141 1.233 2.761) 4.360 20.940 ( 0.043 -1.368 -0.387) 1.423 21.003 ( -0.859 -0.795 -0.241) 1.195 27.877 ( 1.613 -1.450 0.233) 2.182 27.992 ( -0.011 2.236 -0.344) 2.262 36.819 ( 13.452 -0.519 -1.581) 13.555 37.534 ( -5.798 -3.284 4.793) 8.208 38.138 ( 8.805 1.477 0.965) 8.980 39.946 ( -7.186 10.133 1.844) 12.558 ======================= Grid point 390 (218/294) ======================= q-point: (-0.17 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 2.017 -1.649 -6.545) 7.045 3.894 ( 2.574 -6.804 7.428) 10.397 4.378 ( -1.507 -7.695 -3.973) 8.790 5.080 ( 3.788 -1.388 3.026) 5.043 5.303 ( 9.386 4.390 -1.312) 10.445 5.662 ( 1.617 4.426 3.086) 5.633 6.064 ( 4.764 6.848 1.013) 8.404 6.711 ( -5.658 4.613 10.865) 13.090 7.374 ( 15.559 -8.246 -4.030) 18.065 7.839 ( -15.608 -7.916 -4.636) 18.105 7.991 ( -4.579 4.359 -2.379) 6.755 8.344 ( 1.796 -1.066 -1.606) 2.635 10.727 ( 11.743 2.413 1.282) 12.056 10.927 ( -0.669 -7.064 -5.783) 9.154 11.125 ( -19.390 -2.056 -2.425) 19.649 12.017 ( -3.277 0.147 0.446) 3.310 12.260 ( 6.077 -0.619 1.881) 6.392 12.434 ( -2.093 2.503 -0.674) 3.331 18.178 ( 5.083 -0.882 1.029) 5.260 18.434 ( -3.809 3.666 -0.995) 5.379 18.714 ( -0.895 0.701 0.748) 1.360 18.969 ( -2.445 2.001 0.938) 3.296 20.927 ( 0.716 -1.809 -0.609) 2.039 20.987 ( -1.159 0.965 -0.152) 1.516 27.898 ( 2.375 -1.673 0.256) 2.916 27.998 ( -1.318 1.328 -0.090) 1.873 37.059 ( 14.603 -0.103 -1.571) 14.688 37.404 ( -5.188 -7.859 5.195) 10.755 38.265 ( 3.760 2.192 -2.846) 5.200 39.932 ( -5.698 7.547 4.037) 10.282 ======================= Grid point 395 (219/294) ======================= q-point: ( 0.25 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.166 ( 5.944 2.214 2.801) 6.934 3.833 ( 4.337 32.928 -15.664) 36.721 4.402 ( -10.347 -7.679 -15.375) 20.060 4.781 ( -3.586 -1.220 9.178) 9.929 5.290 ( 4.143 -7.386 -1.576) 8.614 5.794 ( -12.130 1.732 1.318) 12.323 6.317 ( -10.516 -12.129 -3.711) 16.477 6.550 ( -6.450 3.472 2.421) 7.715 7.056 ( 24.229 4.555 -0.492) 24.658 7.780 ( -0.739 7.015 3.958) 8.088 8.085 ( 1.701 5.568 6.183) 8.493 8.369 ( -1.696 -11.776 5.338) 13.040 10.513 ( 9.005 1.666 -1.001) 9.212 10.987 ( 5.277 -3.627 4.768) 7.984 11.624 ( -1.270 -2.869 7.161) 7.818 11.920 ( -6.485 4.157 1.092) 7.780 12.225 ( 0.431 -2.827 -2.102) 3.549 12.457 ( -2.600 -1.686 -2.503) 3.983 18.125 ( 2.913 -0.667 0.063) 2.989 18.385 ( 0.173 0.224 0.589) 0.653 18.752 ( -1.009 0.384 -1.281) 1.676 19.105 ( -2.075 -1.557 -2.343) 3.496 20.946 ( 0.562 -0.475 0.349) 0.814 21.024 ( 2.769 -2.326 0.875) 3.721 27.884 ( 1.494 -0.135 -0.717) 1.662 27.940 ( -2.306 2.104 0.838) 3.232 36.650 ( 2.540 5.292 -1.396) 6.034 37.670 ( -8.401 -1.681 2.879) 9.039 38.150 ( 8.971 4.023 -10.483) 14.372 39.924 ( -16.354 4.884 -0.584) 17.078 ======================= Grid point 396 (220/294) ======================= q-point: ( 0.33 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( -3.262 2.963 -2.153) 4.905 4.154 ( -0.267 13.282 -17.306) 21.817 4.194 ( -0.957 13.095 3.937) 13.708 4.827 ( 2.360 7.733 8.550) 11.767 5.312 ( 6.487 -8.602 5.002) 11.878 5.607 ( -15.429 8.234 -3.103) 17.762 5.932 ( -12.469 -9.610 -11.395) 19.434 6.474 ( -2.049 -5.709 1.149) 6.174 7.550 ( 24.473 4.630 2.335) 25.016 7.794 ( -10.295 3.451 6.035) 12.422 8.114 ( -1.437 5.459 -3.575) 6.682 8.277 ( -0.133 -8.184 6.754) 10.612 10.704 ( 9.288 3.947 -1.085) 10.150 11.095 ( 6.484 -3.130 5.134) 8.843 11.457 ( -8.704 -14.408 3.410) 17.175 11.948 ( 0.809 7.434 3.793) 8.385 12.175 ( -2.539 -0.689 -3.165) 4.116 12.422 ( 1.845 -1.573 -0.832) 2.563 18.191 ( 3.442 1.110 -0.087) 3.618 18.379 ( 0.128 -2.166 0.915) 2.355 18.741 ( 1.063 -0.915 -1.209) 1.852 19.019 ( -3.648 -2.538 -2.577) 5.137 20.952 ( 0.466 -0.623 0.569) 0.964 21.051 ( 3.078 -3.489 0.773) 4.717 27.894 ( -1.607 1.984 -0.369) 2.579 27.942 ( 0.755 0.836 0.275) 1.160 36.800 ( 5.491 11.123 -0.253) 12.407 37.457 ( -14.914 -1.455 1.653) 15.076 38.298 ( 7.003 4.017 -7.793) 11.221 39.694 ( -14.114 5.903 -1.766) 15.400 ======================= Grid point 397 (221/294) ======================= q-point: ( 0.42 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( -11.171 -3.435 -5.998) 13.137 4.144 ( -0.734 4.841 -3.454) 5.992 4.209 ( -14.220 4.923 0.799) 15.069 5.104 ( -1.884 14.039 7.593) 16.072 5.298 ( -10.823 7.458 8.025) 15.400 5.529 ( 8.932 6.651 1.446) 11.230 5.760 ( 8.974 -0.195 -16.267) 18.579 6.397 ( 2.080 -10.999 1.860) 11.347 7.503 ( -19.817 -1.635 3.147) 20.132 7.987 ( 13.498 2.166 1.621) 13.767 8.202 ( -5.445 4.749 -2.305) 7.584 8.243 ( 11.962 -1.343 2.353) 12.265 10.847 ( -0.733 2.014 0.419) 2.183 11.022 ( -4.805 -8.225 -2.903) 9.958 11.328 ( 6.658 -9.066 4.378) 12.070 12.078 ( 4.262 0.002 2.109) 4.755 12.111 ( -3.597 6.099 -1.194) 7.180 12.470 ( 4.946 -1.461 0.021) 5.157 18.211 ( -2.515 -0.492 2.201) 3.379 18.403 ( 5.120 -0.225 -1.245) 5.274 18.738 ( 0.197 -4.192 -0.287) 4.207 18.932 ( -1.462 -0.626 -2.687) 3.122 20.956 ( 0.559 -0.895 0.512) 1.172 21.065 ( 2.488 -4.149 0.618) 4.877 27.879 ( -2.382 2.438 0.574) 3.456 27.967 ( 1.140 0.387 -0.809) 1.450 37.028 ( 5.796 11.266 0.983) 12.708 37.188 ( -16.314 2.810 3.015) 16.827 38.319 ( -2.762 -1.412 -5.882) 6.649 39.607 ( -3.242 10.709 -2.590) 11.485 ======================= Grid point 398 (222/294) ======================= q-point: ( 0.50 0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( -14.093 -6.414 -4.945) 16.254 3.832 ( -20.865 -4.399 -2.024) 21.419 4.258 ( -2.073 12.508 3.040) 13.038 5.045 ( -8.484 3.936 8.013) 12.316 5.254 ( -3.952 1.319 -0.077) 4.167 5.880 ( 20.323 -8.327 -1.149) 21.993 6.068 ( 9.853 32.138 -1.348) 33.641 6.365 ( 8.437 -12.323 2.162) 15.090 7.168 ( -19.818 1.283 2.946) 20.077 7.950 ( -11.333 -4.201 -0.316) 12.091 8.217 ( 3.719 3.996 -5.330) 7.630 8.529 ( 15.587 0.605 -0.263) 15.601 10.607 ( -11.003 -11.556 2.151) 16.100 11.074 ( 5.641 3.435 -3.154) 7.319 11.401 ( 8.458 -3.316 -1.586) 9.222 12.039 ( -1.841 0.797 -3.511) 4.043 12.217 ( 2.232 3.801 4.213) 6.097 12.521 ( 2.751 -3.569 -0.325) 4.518 18.173 ( -2.277 0.645 3.384) 4.129 18.497 ( 4.546 0.952 -3.487) 5.808 18.636 ( -4.052 -5.568 0.264) 6.891 18.951 ( 3.607 0.019 -0.428) 3.632 20.957 ( 0.414 -0.960 0.254) 1.076 21.060 ( 1.515 -4.232 0.400) 4.512 27.872 ( -1.460 2.136 1.041) 2.789 27.973 ( -0.104 0.194 -1.347) 1.365 36.904 ( -15.157 1.928 1.510) 15.353 37.312 ( 6.216 11.612 5.571) 14.300 38.150 ( -8.301 -4.682 -4.349) 10.476 39.740 ( 4.342 13.552 -2.344) 14.423 ======================= Grid point 399 (223/294) ======================= q-point: (-0.42 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -2.037 0.590 6.758) 7.083 3.466 ( -11.546 -7.668 -5.051) 14.752 4.328 ( -8.102 11.382 10.493) 17.473 5.027 ( -0.145 -0.427 0.998) 1.096 5.219 ( -2.961 4.272 1.093) 5.312 6.060 ( 7.985 -3.927 -3.308) 9.494 6.304 ( 9.716 -9.295 5.088) 14.377 6.605 ( 7.837 16.727 -1.221) 18.512 6.895 ( -15.853 2.022 1.841) 16.087 7.714 ( -9.383 -0.246 -0.903) 9.429 8.263 ( 1.874 0.850 -5.284) 5.671 8.707 ( 7.990 -3.588 -6.092) 10.669 10.381 ( -4.363 -9.687 3.077) 11.061 11.127 ( 1.272 -1.854 -3.174) 3.890 11.573 ( 12.030 5.263 -5.295) 14.158 12.025 ( -0.207 3.514 -2.420) 4.272 12.267 ( -1.335 -1.115 3.489) 3.898 12.482 ( -1.879 -3.263 -0.042) 3.766 18.198 ( 0.174 3.706 2.563) 4.509 18.407 ( -5.488 -5.766 -3.258) 8.601 18.652 ( 3.880 2.205 0.807) 4.535 19.012 ( 3.214 -0.979 1.324) 3.611 20.953 ( 0.180 -1.005 -0.066) 1.023 21.040 ( 0.541 -3.382 0.078) 3.426 27.877 ( -0.698 0.790 0.937) 1.410 27.961 ( -0.535 0.898 -1.262) 1.639 36.706 ( -10.478 1.731 1.171) 10.684 37.538 ( 5.482 5.473 8.445) 11.459 37.957 ( -5.795 -3.769 -3.833) 7.905 39.945 ( 3.957 13.444 -0.679) 14.031 ======================= Grid point 400 (224/294) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 16.939 7.198 19.642) 26.918 3.258 ( 1.728 -9.224 -6.280) 11.292 4.311 ( -10.470 5.661 11.675) 16.673 4.988 ( -1.422 -4.426 -2.855) 5.456 5.253 ( -0.942 5.799 2.691) 6.462 6.048 ( -3.066 0.748 -4.736) 5.691 6.432 ( 7.741 -7.461 8.792) 13.889 6.620 ( -8.986 -3.891 -5.226) 11.099 6.794 ( -0.869 8.912 -2.217) 9.224 7.705 ( 3.529 5.203 3.151) 7.032 8.247 ( 0.924 -1.823 -6.946) 7.240 8.661 ( -1.066 -8.298 -10.581) 13.489 10.302 ( 1.801 -5.097 3.260) 6.312 11.069 ( -1.149 -4.830 -4.738) 6.862 11.771 ( 6.266 2.957 -6.099) 9.231 12.057 ( -2.087 4.176 -0.946) 4.764 12.194 ( -2.388 -2.062 2.067) 3.772 12.455 ( -1.286 2.632 1.679) 3.377 18.168 ( -5.370 -2.243 -1.715) 6.067 18.361 ( 3.498 2.851 0.648) 4.559 18.732 ( 1.442 2.992 1.280) 3.559 19.047 ( 0.930 -1.162 2.410) 2.833 20.941 ( 0.024 -1.694 -0.433) 1.748 21.019 ( -0.068 -1.217 -0.265) 1.248 27.864 ( -0.725 -1.210 0.166) 1.420 27.974 ( 0.573 2.217 -0.426) 2.329 36.603 ( -2.659 -0.042 0.337) 2.681 37.665 ( 0.230 -2.929 11.115) 11.496 37.873 ( 2.640 -0.588 -4.524) 5.271 40.109 ( -0.363 12.311 1.649) 12.426 ======================= Grid point 401 (225/294) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.077 ( 6.794 -9.436 -4.540) 12.483 3.527 ( 25.723 1.479 20.056) 32.651 4.224 ( -7.116 0.369 6.295) 9.508 4.880 ( -1.586 -6.310 -2.600) 7.007 5.288 ( -3.099 4.895 2.274) 6.224 5.982 ( -5.873 8.234 -6.064) 11.792 6.248 ( -15.934 -2.465 4.447) 16.726 6.704 ( 19.196 -14.160 -2.433) 23.977 6.844 ( -1.770 10.867 4.220) 11.792 7.857 ( 5.351 2.621 1.440) 6.129 8.206 ( 3.959 -6.391 -8.203) 11.127 8.429 ( -8.650 -7.905 -10.143) 15.498 10.381 ( 7.155 2.498 2.745) 8.061 10.956 ( -2.030 -6.267 -6.115) 8.989 11.684 ( -9.764 -6.227 -3.897) 12.219 12.070 ( 2.427 3.148 0.247) 3.983 12.196 ( -3.475 3.090 0.470) 4.674 12.489 ( -0.714 5.471 0.326) 5.527 18.077 ( -0.880 -1.878 -0.242) 2.088 18.465 ( 2.421 5.657 -1.204) 6.270 18.767 ( -1.366 2.427 1.695) 3.260 19.050 ( -1.152 -0.457 3.054) 3.296 20.917 ( 0.055 -2.400 -0.902) 2.565 21.013 ( -0.381 0.961 -0.407) 1.112 27.844 ( 0.325 -1.660 0.159) 1.699 28.006 ( 0.673 1.907 -0.222) 2.035 36.629 ( 6.474 -1.279 -0.004) 6.599 37.606 ( -5.196 -7.694 8.300) 12.453 37.973 ( 9.751 -1.010 -2.222) 10.051 40.186 ( -5.641 10.818 3.979) 12.832 ======================= Grid point 402 (226/294) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 7.331 -13.018 -9.140) 17.514 3.827 ( 2.580 -14.019 8.404) 16.547 4.216 ( 6.384 -3.620 -1.560) 7.503 4.921 ( 9.483 3.425 7.133) 12.351 5.294 ( -0.573 2.083 3.625) 4.220 5.898 ( -12.909 8.961 2.727) 15.949 6.113 ( -1.421 6.034 -1.850) 6.469 6.731 ( 5.124 -14.903 2.690) 15.988 7.093 ( 11.374 7.485 4.927) 14.479 7.860 ( -2.815 -9.921 -5.616) 11.742 8.116 ( -2.953 -2.359 -8.038) 8.882 8.258 ( 1.048 -2.351 -2.096) 3.319 10.594 ( 7.962 6.093 0.926) 10.068 10.845 ( 0.692 -2.028 -6.331) 6.684 11.377 ( -15.665 -5.436 -3.797) 17.011 12.109 ( -6.811 -1.167 0.460) 6.925 12.165 ( 4.895 0.844 1.123) 5.093 12.515 ( -2.637 5.168 -0.253) 5.808 18.107 ( 3.915 1.182 1.480) 4.349 18.521 ( -1.630 5.147 -1.463) 5.594 18.760 ( -2.321 1.880 1.022) 3.157 19.032 ( -2.450 0.369 1.935) 3.144 20.891 ( 0.488 -2.427 -1.182) 2.744 21.016 ( -0.776 1.903 -0.383) 2.091 27.847 ( 1.642 -1.521 0.430) 2.279 28.023 ( -0.313 0.890 -0.208) 0.966 36.795 ( 13.773 -0.996 0.010) 13.809 37.447 ( -6.770 -11.352 7.510) 15.202 38.119 ( 10.070 -1.861 -4.488) 11.181 40.183 ( -8.890 9.520 6.026) 14.352 ======================= Grid point 407 (227/294) ======================= q-point: ( 0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( 16.045 -1.119 4.744) 16.769 3.837 ( 16.229 18.719 -15.975) 29.478 4.366 ( -7.740 -14.673 -11.993) 20.471 4.824 ( 1.096 0.466 4.026) 4.199 5.325 ( -9.490 1.134 -2.804) 9.960 5.910 ( -7.294 -1.053 2.521) 7.789 6.290 ( -4.533 -12.276 -0.208) 13.088 6.692 ( 22.094 4.145 -0.165) 22.480 6.898 ( -13.470 12.330 -3.151) 18.531 7.837 ( 3.818 2.552 5.229) 6.959 8.054 ( 8.733 0.922 9.243) 12.749 8.322 ( -0.688 -8.137 3.550) 8.904 10.426 ( 2.140 6.722 -2.781) 7.583 10.872 ( 4.379 -5.857 4.437) 8.554 11.597 ( 1.287 -9.338 6.937) 11.704 12.073 ( -4.313 3.699 0.382) 5.695 12.201 ( -1.625 -1.298 -0.623) 2.171 12.505 ( -4.685 0.357 -1.575) 4.955 18.081 ( 0.970 -0.251 -0.714) 1.230 18.445 ( -3.713 3.854 1.367) 5.524 18.783 ( -2.841 -0.114 -0.459) 2.880 19.098 ( -0.471 -1.466 -2.909) 3.292 20.907 ( 2.772 -1.488 0.388) 3.170 21.006 ( -1.094 0.226 0.423) 1.194 27.850 ( 1.583 -0.419 -0.494) 1.710 27.999 ( -1.426 1.625 0.762) 2.293 36.639 ( 3.845 4.789 -1.278) 6.273 37.709 ( 0.804 -6.441 -3.441) 7.347 37.972 ( 9.653 3.856 -3.423) 10.944 40.223 ( -14.276 2.432 -0.505) 14.490 ======================= Grid point 408 (228/294) ======================= q-point: ( 0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 6.724 0.013 2.043) 7.027 4.064 ( 1.855 -1.893 -19.204) 19.386 4.299 ( 10.715 13.673 1.508) 17.436 4.904 ( 4.023 6.800 4.850) 9.271 5.190 ( -4.372 -1.134 0.902) 4.606 5.750 ( -7.492 -5.054 -1.363) 9.140 6.070 ( -8.129 -5.312 -5.202) 11.016 6.710 ( -18.125 8.777 -2.240) 20.263 7.176 ( 24.939 6.640 1.883) 25.877 7.925 ( 1.228 3.790 2.160) 4.532 8.147 ( -6.450 -16.058 5.987) 18.311 8.252 ( 3.304 4.279 5.038) 7.389 10.568 ( 8.254 6.504 -2.787) 10.872 10.953 ( 7.896 -4.716 5.756) 10.850 11.457 ( -5.837 -17.272 3.998) 18.665 12.030 ( -3.772 2.709 1.376) 4.843 12.197 ( 0.825 2.258 -2.214) 3.268 12.428 ( -3.353 0.209 -0.205) 3.366 18.130 ( 3.977 1.802 -0.995) 4.478 18.416 ( -3.708 1.058 1.815) 4.262 18.736 ( -1.573 -0.745 -0.742) 1.892 19.033 ( -2.614 -2.770 -2.508) 4.561 20.935 ( 1.626 -0.832 0.232) 1.841 20.997 ( 0.260 -1.046 0.498) 1.187 27.883 ( 2.326 0.659 -0.562) 2.482 27.985 ( -2.277 1.337 0.660) 2.722 36.806 ( 6.454 10.993 -0.071) 12.748 37.598 ( -4.232 -5.766 -3.012) 7.761 38.162 ( 8.059 4.734 -2.474) 9.669 39.973 ( -14.879 0.715 -1.370) 14.959 ======================= Grid point 409 (229/294) ======================= q-point: ( 0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( -7.329 -1.372 -2.189) 7.771 4.052 ( 6.943 0.733 -7.853) 10.508 4.437 ( -6.330 -2.058 2.792) 7.218 5.192 ( 7.935 -6.595 3.624) 10.936 5.209 ( 8.750 13.906 4.016) 16.913 5.641 ( 1.792 7.231 -5.758) 9.415 5.871 ( -13.648 10.948 -3.125) 17.774 6.452 ( -15.705 1.133 0.862) 15.769 7.630 ( 15.914 1.854 -0.159) 16.023 7.822 ( -7.869 -6.728 3.783) 11.022 8.055 ( 7.590 -4.756 1.311) 9.052 8.307 ( -2.902 2.319 0.961) 3.837 10.769 ( 8.954 6.075 -4.222) 11.615 11.041 ( -1.687 -7.425 1.754) 7.813 11.170 ( -1.792 -15.957 4.616) 16.707 12.025 ( 1.251 -1.099 0.288) 1.690 12.223 ( -1.973 6.276 -0.680) 6.614 12.416 ( 1.541 0.328 1.081) 1.911 18.222 ( 3.705 2.221 -0.276) 4.329 18.364 ( -2.297 -0.816 1.270) 2.748 18.712 ( -0.260 -0.980 -0.227) 1.039 18.944 ( -2.944 -2.197 -2.314) 4.341 20.948 ( 0.336 -0.078 0.135) 0.370 20.999 ( 1.505 -2.308 0.305) 2.772 27.926 ( 1.191 1.702 -0.578) 2.157 27.959 ( -1.661 0.308 0.587) 1.788 37.046 ( 6.478 12.294 1.254) 13.953 37.435 ( -8.768 -1.661 -0.013) 8.924 38.265 ( 2.070 -0.679 -3.986) 4.543 39.776 ( -8.245 3.729 -0.528) 9.064 ======================= Grid point 410 (230/294) ======================= q-point: (-0.50 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( -15.322 -2.098 -3.503) 15.857 4.070 ( -14.403 -11.557 0.431) 18.472 4.272 ( 5.398 4.429 -2.661) 7.472 5.279 ( -3.501 5.449 0.148) 6.478 5.346 ( 10.511 -8.735 1.648) 13.765 5.611 ( -10.462 6.527 4.841) 13.247 6.172 ( 12.352 25.217 1.765) 28.135 6.260 ( -3.702 2.769 1.927) 5.008 7.453 ( -13.997 -6.218 1.490) 15.388 7.988 ( 8.692 0.009 -3.100) 9.228 8.141 ( 2.433 -4.354 -4.599) 6.785 8.277 ( 5.740 -0.969 1.706) 6.066 10.707 ( -12.858 -12.674 1.367) 18.106 10.959 ( 7.739 3.061 -5.085) 9.753 11.208 ( 8.554 -5.217 -0.228) 10.022 12.030 ( 0.883 -1.352 -1.336) 2.096 12.260 ( -0.527 4.750 1.991) 5.178 12.470 ( 2.418 0.382 1.134) 2.698 18.241 ( -2.454 0.726 2.623) 3.665 18.406 ( 5.627 2.172 -1.896) 6.323 18.671 ( -3.860 -1.922 0.495) 4.340 18.895 ( 1.151 -1.420 -1.133) 2.151 20.949 ( -0.042 -0.298 0.006) 0.301 21.003 ( 1.485 -2.274 -0.006) 2.716 27.923 ( -2.041 0.757 0.775) 2.311 27.965 ( 0.861 0.726 -0.781) 1.370 37.142 ( -8.373 1.510 -0.024) 8.508 37.392 ( 1.249 10.512 5.204) 11.796 38.163 ( -5.131 -7.942 -4.788) 10.598 39.791 ( 2.023 8.719 1.020) 9.009 ======================= Grid point 411 (231/294) ======================= q-point: (-0.42 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( -9.493 1.696 2.410) 9.939 3.589 ( -19.157 -14.703 -4.453) 24.556 4.479 ( 8.119 3.474 4.994) 10.145 5.199 ( -14.053 7.131 2.163) 15.907 5.350 ( -4.485 4.399 4.224) 7.570 5.722 ( 16.205 -6.176 3.378) 17.668 6.141 ( 0.987 -8.142 0.881) 8.249 6.702 ( 7.330 23.965 1.884) 25.131 7.177 ( -14.204 -1.981 0.401) 14.347 7.899 ( -11.448 -0.185 -1.150) 11.508 8.135 ( 6.681 -3.541 -10.192) 12.691 8.433 ( 11.675 -7.765 -1.952) 14.157 10.420 ( -8.501 -8.402 2.163) 12.147 11.041 ( 3.902 -2.470 -4.808) 6.667 11.371 ( 13.509 3.920 -5.351) 15.050 12.030 ( 0.946 0.790 -1.280) 1.777 12.287 ( -1.224 -0.883 2.596) 3.003 12.497 ( -0.233 0.911 1.047) 1.407 18.251 ( 0.129 3.507 2.711) 4.435 18.456 ( -4.434 0.256 -4.473) 6.304 18.613 ( 1.880 1.005 2.758) 3.486 18.933 ( 4.481 -2.061 0.883) 5.010 20.939 ( -0.032 -1.414 -0.328) 1.452 21.006 ( 0.850 -0.877 -0.240) 1.245 27.900 ( -1.305 -0.532 0.729) 1.587 27.975 ( -0.269 1.318 -0.738) 1.535 36.946 ( -13.780 1.000 0.784) 13.839 37.570 ( 3.158 7.189 6.411) 10.137 37.950 ( -4.869 -10.595 -3.386) 12.142 39.978 ( 6.221 10.584 2.347) 12.499 ======================= Grid point 412 (232/294) ======================= q-point: (-0.33 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( 7.190 3.649 10.195) 12.998 3.170 ( -8.641 -12.767 -4.063) 15.943 4.594 ( -2.517 -1.292 12.456) 12.773 5.017 ( -11.897 1.232 0.114) 11.961 5.370 ( -2.571 6.973 3.640) 8.275 5.964 ( 14.585 -4.776 2.898) 15.618 6.121 ( 4.735 -3.504 -1.355) 6.044 6.795 ( -9.258 -8.551 -2.937) 12.940 7.007 ( -8.808 15.674 -0.187) 17.980 7.774 ( -3.657 3.755 1.237) 5.385 8.115 ( 2.690 -6.821 -11.006) 13.224 8.456 ( 5.445 -12.427 -5.257) 14.550 10.288 ( -2.070 -1.853 1.883) 3.356 11.015 ( 0.284 -3.913 -5.137) 6.464 11.629 ( 11.314 6.512 -7.799) 15.206 12.076 ( 2.448 1.412 -0.169) 2.832 12.221 ( -2.814 -3.121 1.909) 4.615 12.516 ( -0.712 3.260 2.029) 3.905 18.283 ( -9.881 0.357 -2.039) 10.096 18.345 ( 3.295 4.866 0.807) 5.932 18.723 ( 4.241 3.302 2.261) 5.831 18.995 ( 4.131 -2.475 2.121) 5.262 20.916 ( -0.027 -2.417 -0.852) 2.563 21.014 ( 0.322 0.851 -0.385) 0.988 27.871 ( -1.367 -1.296 0.388) 1.923 27.984 ( 0.174 1.466 -0.407) 1.531 36.731 ( -11.444 -0.124 0.659) 11.463 37.686 ( 2.001 0.261 7.387) 7.658 37.786 ( -0.958 -9.581 -1.670) 9.772 40.198 ( 4.683 10.540 3.672) 12.104 ======================= Grid point 413 (233/294) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 4.881 -17.086 -9.205) 20.012 3.258 ( 17.045 0.986 16.903) 24.025 4.502 ( -13.267 -2.348 14.749) 19.977 4.841 ( -4.131 -3.982 -3.758) 6.859 5.405 ( -3.011 2.757 4.966) 6.428 6.075 ( 1.337 6.847 -5.460) 8.859 6.284 ( 11.470 -6.510 5.285) 14.208 6.468 ( -8.961 -8.225 -3.450) 12.643 7.017 ( -6.050 10.128 1.328) 11.872 7.801 ( 2.850 -2.547 -4.146) 5.639 8.003 ( 1.792 -7.996 -8.153) 11.559 8.354 ( 0.131 -11.681 -3.905) 12.317 10.341 ( 4.791 6.313 1.608) 8.087 10.927 ( -2.936 -3.520 -5.423) 7.101 11.699 ( -1.810 -2.561 -7.620) 8.240 12.055 ( -0.378 -2.993 2.325) 3.809 12.281 ( 1.829 7.522 -1.171) 7.829 12.555 ( -0.370 5.003 1.272) 5.175 18.128 ( -6.329 0.425 -0.640) 6.376 18.472 ( 3.456 7.133 -0.654) 7.953 18.813 ( 0.746 3.359 2.020) 3.990 19.043 ( 2.466 -1.998 3.191) 4.500 20.884 ( 0.021 -2.724 -1.434) 3.079 21.029 ( -0.004 1.995 -0.473) 2.050 27.838 ( -1.052 -1.214 0.385) 1.652 28.004 ( 0.938 0.901 -0.366) 1.351 36.590 ( -3.627 -1.775 0.846) 4.126 37.656 ( -4.895 -9.173 8.975) 13.735 37.771 ( 8.267 -5.287 -2.455) 10.116 40.364 ( -0.070 10.000 4.879) 11.127 ======================= Grid point 414 (234/294) ======================= q-point: (-0.17 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 9.130 -18.921 -10.271) 23.385 3.521 ( 12.597 -19.883 4.687) 23.999 4.284 ( -13.202 -2.955 5.898) 14.758 4.878 ( 7.957 6.455 6.161) 11.956 5.359 ( -4.345 -3.675 6.849) 8.905 6.093 ( -2.991 -16.445 7.532) 18.334 6.181 ( 0.457 10.110 -9.778) 14.073 6.547 ( 1.089 9.090 -1.319) 9.250 7.072 ( 4.300 3.127 6.474) 8.377 7.683 ( 1.691 -16.096 -11.336) 19.760 8.018 ( 4.776 0.141 -1.971) 5.169 8.218 ( -1.429 -9.131 -1.282) 9.331 10.574 ( 7.410 11.503 2.270) 13.870 10.816 ( -1.794 1.118 -5.713) 6.092 11.505 ( -9.319 -6.171 -5.930) 12.652 12.067 ( 2.816 -4.387 2.238) 5.673 12.281 ( -7.958 5.339 -2.470) 9.897 12.605 ( -1.246 6.073 -0.619) 6.230 18.094 ( 0.451 3.058 1.416) 3.400 18.576 ( 0.884 6.445 -1.547) 6.687 18.833 ( -2.509 2.881 0.995) 3.948 19.067 ( -0.161 -0.927 3.052) 3.194 20.851 ( 0.311 -2.721 -1.762) 3.256 21.046 ( -0.401 2.471 -0.505) 2.554 27.823 ( 0.165 -0.747 0.657) 1.009 28.022 ( 0.711 -0.018 -0.511) 0.875 36.602 ( 6.743 -1.993 1.434) 7.176 37.489 ( -7.162 -12.816 8.653) 17.041 37.869 ( 11.266 -6.123 -4.049) 13.446 40.439 ( -5.548 9.435 5.822) 12.397 ======================= Grid point 480 (235/294) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.000 0.000 30.106) 30.106 1.563 ( -0.000 0.000 30.106) 30.106 2.574 ( -0.000 0.000 48.847) 48.847 4.742 ( 0.000 -0.000 -9.063) 9.063 4.742 ( 0.000 -0.000 -9.063) 9.063 6.255 ( -0.000 0.000 2.908) 2.908 6.255 ( -0.000 0.000 2.908) 2.908 6.948 ( 0.000 -0.000 -0.967) 0.967 6.948 ( 0.000 -0.000 -0.967) 0.967 7.571 ( -0.000 0.000 2.577) 2.577 7.735 ( 0.000 -0.000 -10.023) 10.023 8.273 ( 0.000 -0.000 -10.036) 10.036 10.798 ( 0.000 -0.000 -2.705) 2.705 10.798 ( 0.000 -0.000 -2.705) 2.705 11.263 ( -0.000 0.000 1.662) 1.662 11.263 ( -0.000 0.000 1.662) 1.662 12.888 ( 0.000 -0.000 -2.266) 2.266 13.231 ( -0.000 0.000 1.173) 1.173 18.604 ( 0.000 -0.000 -0.350) 0.350 18.604 ( 0.000 -0.000 -0.350) 0.350 19.038 ( -0.000 0.000 0.743) 0.743 19.038 ( -0.000 0.000 0.743) 0.743 21.360 ( -0.000 0.000 6.318) 6.318 22.272 ( 0.000 -0.000 -5.001) 5.001 27.881 ( -0.000 0.000 0.778) 0.778 27.979 ( 0.000 -0.000 -0.779) 0.779 36.478 ( 0.000 -0.000 -3.356) 3.356 36.478 ( 0.000 -0.000 -3.356) 3.356 36.914 ( -0.000 0.000 3.640) 3.640 36.914 ( -0.000 0.000 3.640) 3.640 ======================= Grid point 481 (236/294) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 8.390 -4.671 26.093) 27.804 2.025 ( 9.728 4.950 29.200) 31.173 2.989 ( 11.657 11.083 30.002) 34.042 4.580 ( 1.559 3.743 -3.915) 5.636 4.970 ( 12.480 6.758 -9.411) 17.030 6.068 ( -16.196 6.683 2.207) 17.659 6.393 ( 10.148 -14.502 5.044) 18.405 6.838 ( -0.660 -8.165 0.938) 8.245 6.942 ( -3.814 2.529 -2.487) 5.209 7.540 ( -3.888 -0.025 -6.802) 7.835 7.800 ( 6.277 10.467 -2.761) 12.514 8.222 ( 1.559 1.084 -4.577) 4.955 10.735 ( 6.061 -8.679 -4.027) 11.327 11.006 ( 6.910 6.614 -7.938) 12.430 11.136 ( -2.925 4.116 5.757) 7.658 11.527 ( 12.634 8.446 0.887) 15.223 12.764 ( -10.809 -5.756 -2.726) 12.546 13.140 ( -8.121 -5.252 2.076) 9.892 18.568 ( -1.442 -3.796 -0.174) 4.065 18.604 ( -1.628 3.572 -0.602) 3.971 19.016 ( -1.660 -0.299 0.023) 1.687 19.040 ( -0.162 -2.343 0.283) 2.366 21.350 ( -3.839 -2.225 5.667) 7.197 21.954 ( -20.469 -11.800 4.076) 23.976 27.860 ( -1.914 -0.958 0.534) 2.206 27.955 ( -0.994 -0.900 -0.414) 1.403 36.515 ( -0.288 5.435 -4.054) 6.786 36.683 ( 11.853 13.377 -4.157) 18.350 36.966 ( 14.237 -7.336 2.821) 16.263 37.501 ( 40.283 26.899 -15.203) 50.768 ======================= Grid point 482 (237/294) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 22.640 -0.647 16.003) 27.733 2.340 ( 7.427 2.178 28.353) 29.390 3.334 ( 10.298 8.844 0.103) 13.575 4.844 ( 12.062 13.663 8.266) 20.012 5.152 ( 4.773 6.148 -7.378) 10.724 5.861 ( -14.170 5.060 -2.779) 15.300 6.435 ( 7.790 -12.257 11.123) 18.293 6.712 ( -0.561 -7.964 -6.293) 10.166 6.991 ( 7.100 -0.036 -0.522) 7.119 7.420 ( -4.450 1.193 -7.861) 9.111 8.008 ( 3.057 12.314 0.025) 12.688 8.330 ( 6.730 6.224 0.233) 9.170 10.726 ( 1.331 -3.131 -3.793) 5.095 10.987 ( 5.470 -12.731 0.724) 13.875 11.360 ( 6.604 16.385 -2.565) 17.852 11.818 ( 8.380 8.514 3.555) 12.464 12.390 ( -18.452 -11.157 -1.536) 21.617 12.930 ( -9.711 -6.551 2.024) 11.887 18.468 ( -4.960 -3.914 -0.548) 6.342 18.628 ( -1.035 5.144 -0.644) 5.287 18.944 ( -4.144 -3.756 -1.618) 5.823 19.021 ( 1.334 -2.678 -0.024) 2.992 21.244 ( -7.342 -4.112 4.056) 9.342 21.576 ( -14.335 -8.398 7.920) 18.405 27.820 ( -1.522 -0.481 -0.618) 1.711 27.937 ( -0.171 -0.751 0.096) 0.776 36.527 ( -0.048 2.840 -3.571) 4.563 36.998 ( 4.024 22.654 2.832) 23.182 37.267 ( 28.373 -9.237 -2.044) 29.909 38.327 ( 36.056 23.637 -27.128) 50.938 ======================= Grid point 483 (238/294) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 25.036 0.966 4.568) 25.467 2.649 ( 10.585 4.194 20.550) 23.494 3.663 ( 20.564 11.125 -7.208) 24.466 5.060 ( -10.754 5.575 -0.220) 12.115 5.216 ( 4.829 6.756 6.785) 10.723 5.678 ( -4.669 -1.966 -9.567) 10.825 6.500 ( -3.867 8.613 -0.314) 9.447 6.732 ( 12.314 -10.255 4.026) 16.523 7.073 ( 6.681 -4.980 -1.307) 8.435 7.392 ( 3.029 2.512 -3.809) 5.477 8.109 ( -3.147 6.956 1.774) 7.838 8.500 ( 3.508 7.140 -0.300) 7.960 10.687 ( -3.515 1.669 1.070) 4.036 10.988 ( 9.763 -15.928 1.425) 18.736 11.559 ( 0.195 10.296 -0.992) 10.346 11.836 ( -11.929 -3.579 7.867) 14.731 12.194 ( 5.750 2.320 -3.242) 6.997 12.721 ( -8.499 -4.911 1.022) 9.868 18.334 ( -5.804 -2.966 -0.862) 6.575 18.637 ( -4.163 4.290 0.688) 6.017 18.804 ( -3.660 -6.534 -3.325) 8.194 19.035 ( 2.820 -1.377 -0.817) 3.243 21.098 ( -6.428 -3.438 3.013) 7.888 21.356 ( -8.777 -5.311 5.102) 11.457 27.803 ( 0.271 0.599 -1.085) 1.269 27.931 ( -0.031 -0.577 0.285) 0.644 36.545 ( 0.700 3.014 -2.809) 4.179 37.293 ( 4.009 18.724 5.245) 19.853 37.650 ( 26.113 -7.099 -6.239) 27.771 38.917 ( 24.925 17.901 -20.163) 36.719 ======================= Grid point 484 (239/294) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 23.703 -3.663 -9.096) 25.651 2.991 ( 11.060 6.875 13.417) 18.698 4.128 ( 21.448 12.700 -10.562) 27.071 4.845 ( -11.817 -0.718 6.218) 13.373 5.436 ( 5.927 10.600 5.807) 13.461 5.542 ( -2.203 -3.960 -7.023) 8.358 6.493 ( -7.043 13.594 -8.119) 17.329 6.757 ( -1.188 -5.393 0.715) 5.568 7.142 ( 6.069 -13.002 1.398) 14.417 7.492 ( 7.167 0.775 0.484) 7.225 8.078 ( -6.012 4.235 2.672) 7.825 8.571 ( -1.438 3.921 2.247) 4.742 10.644 ( -4.215 -1.462 3.043) 5.401 11.017 ( 6.235 -8.340 4.746) 11.444 11.533 ( -2.621 -3.806 6.329) 7.837 11.790 ( 1.135 4.561 -0.584) 4.736 12.304 ( 2.262 4.190 -2.365) 5.317 12.567 ( -6.082 -1.732 0.696) 6.362 18.221 ( -4.104 -1.242 -0.338) 4.301 18.544 ( -8.197 -1.474 0.959) 8.383 18.713 ( 0.872 -2.985 -3.375) 4.589 19.072 ( 2.696 -0.057 -1.530) 3.100 21.002 ( -3.359 -1.726 1.732) 4.155 21.201 ( -6.499 -3.874 2.367) 7.928 27.831 ( 2.182 1.499 -0.827) 2.774 27.923 ( -0.566 -0.500 0.401) 0.855 36.577 ( 0.789 3.173 -2.055) 3.861 37.547 ( 3.949 12.522 5.590) 14.270 37.903 ( 16.091 -6.431 -11.431) 20.759 39.374 ( 19.542 14.256 -8.314) 25.578 ======================= Grid point 485 (240/294) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.072 ( 17.764 -8.708 -17.675) 26.529 3.222 ( 5.082 -0.058 5.760) 7.681 4.417 ( 6.752 13.305 -15.545) 21.546 4.831 ( 2.148 2.555 10.143) 10.679 5.359 ( -4.610 -4.824 -6.873) 9.580 5.800 ( 9.856 15.000 8.767) 19.975 6.473 ( -0.642 9.111 -6.185) 11.030 6.657 ( -9.973 1.277 4.282) 10.928 6.946 ( -5.590 -18.769 -5.433) 20.323 7.627 ( 7.498 -0.534 0.418) 7.529 8.084 ( -0.489 1.182 7.883) 7.986 8.572 ( -4.530 1.865 6.694) 8.295 10.522 ( -6.469 -5.242 -0.602) 8.348 11.053 ( -0.940 -2.332 5.617) 6.154 11.560 ( 7.044 -5.808 6.066) 10.961 11.882 ( 4.215 4.791 1.401) 6.533 12.312 ( -4.182 2.561 -1.793) 5.221 12.485 ( -2.434 1.175 -1.669) 3.177 18.169 ( -2.485 1.050 0.933) 2.854 18.403 ( -4.634 -2.834 -0.181) 5.435 18.711 ( 2.432 -0.838 -2.000) 3.258 19.099 ( 1.358 -0.162 -2.142) 2.541 20.960 ( -1.176 -0.590 0.636) 1.462 21.081 ( -4.720 -2.696 0.988) 5.525 27.883 ( 1.318 1.172 -1.075) 2.066 27.913 ( 0.512 0.062 1.211) 1.316 36.606 ( -0.085 2.968 -1.396) 3.281 37.722 ( 2.465 5.624 5.462) 8.218 37.959 ( 5.628 -5.334 -14.169) 16.152 39.784 ( 16.363 10.951 -1.111) 19.721 ======================= Grid point 486 (241/294) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -4.014 -9.414 -1.974) 10.423 3.275 ( 12.806 -12.396 -14.945) 23.260 4.540 ( -1.083 17.076 -17.538) 24.502 4.908 ( -2.931 -0.727 7.380) 7.974 5.293 ( 3.367 4.022 -2.485) 5.804 5.987 ( -1.764 5.087 2.678) 6.014 6.469 ( -4.875 -16.344 6.331) 18.193 6.651 ( -8.541 10.043 -11.450) 17.462 6.732 ( 10.292 4.473 6.210) 12.825 7.743 ( 6.670 -0.431 -1.087) 6.771 8.099 ( -2.954 -4.871 11.701) 13.014 8.511 ( -7.749 -1.198 7.638) 10.946 10.355 ( -3.996 -4.497 -3.378) 6.899 10.996 ( -5.421 -1.286 4.429) 7.118 11.663 ( 5.280 -4.791 7.505) 10.352 12.034 ( 5.347 4.289 2.013) 7.144 12.223 ( -4.355 0.837 -1.741) 4.765 12.491 ( 1.513 2.871 -2.749) 4.253 18.142 ( -4.122 3.290 1.463) 5.473 18.369 ( 3.495 -1.165 -0.305) 3.697 18.753 ( 3.464 0.396 -1.266) 3.709 19.089 ( 0.017 -1.548 -2.875) 3.265 20.935 ( -1.913 -1.112 0.266) 2.229 21.012 ( -1.093 -0.552 0.583) 1.356 27.867 ( -1.685 0.026 -0.321) 1.716 27.965 ( 2.643 0.722 0.675) 2.821 36.613 ( -1.637 2.575 -0.959) 3.199 37.790 ( -1.355 -0.024 4.393) 4.598 37.868 ( -0.997 -5.118 -12.876) 13.891 40.126 ( 12.873 7.905 -0.323) 15.109 ======================= Grid point 493 (242/294) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -6.326 8.247 25.009) 27.083 2.252 ( -0.313 21.981 21.599) 30.819 3.160 ( 2.122 11.008 33.286) 35.123 4.469 ( 2.407 -4.084 -9.039) 10.207 4.921 ( 0.268 13.415 -7.681) 15.461 6.033 ( 9.215 -15.743 7.059) 19.560 6.498 ( -13.566 7.118 -0.392) 15.325 6.815 ( -4.388 -1.738 -1.036) 4.832 7.008 ( 1.806 4.384 -2.596) 5.406 7.486 ( 2.065 -5.043 -6.936) 8.821 7.707 ( 5.961 0.389 1.967) 6.289 8.165 ( -0.111 -0.498 -5.357) 5.382 10.690 ( -8.563 -1.873 -0.482) 8.779 10.926 ( 4.673 4.732 -7.209) 9.808 11.316 ( 0.565 12.188 4.354) 12.955 11.450 ( 1.550 9.082 -0.503) 9.227 12.786 ( 0.428 -6.864 -3.377) 7.661 13.185 ( -0.482 -4.713 0.261) 4.744 18.532 ( -0.401 -5.344 -0.089) 5.360 18.620 ( 1.512 0.379 -0.172) 1.569 19.005 ( 0.031 -2.742 0.261) 2.754 19.055 ( -1.169 -0.392 0.225) 1.253 21.379 ( -0.009 -4.919 5.709) 7.536 21.969 ( 0.010 -20.920 2.104) 21.025 27.862 ( 0.125 -2.534 0.609) 2.610 27.955 ( -0.263 -0.859 -0.497) 1.027 36.392 ( 4.912 -1.472 -1.419) 5.321 36.594 ( -0.993 7.712 -2.752) 8.248 37.074 ( -6.079 9.119 1.949) 11.131 37.500 ( 2.331 53.085 -13.365) 54.791 ======================= Grid point 494 (243/294) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 2.550 18.347 20.413) 27.565 2.531 ( -1.875 13.005 26.614) 29.681 3.339 ( -2.691 6.749 0.401) 7.277 4.676 ( 20.415 5.187 1.285) 21.102 5.103 ( 6.873 13.970 -4.063) 16.091 6.104 ( 8.435 -13.060 9.345) 18.139 6.173 ( -14.477 -10.033 -2.862) 17.845 6.765 ( -6.499 10.935 -2.784) 13.022 6.997 ( -3.137 1.591 -2.088) 4.090 7.428 ( -0.590 -0.438 -7.019) 7.057 7.937 ( 12.237 2.422 2.490) 12.721 8.225 ( 8.748 2.697 -1.945) 9.359 10.609 ( 0.769 -2.646 2.055) 3.437 10.960 ( -1.854 1.965 -4.442) 5.199 11.422 ( 1.992 12.591 1.198) 12.804 11.721 ( 11.921 10.190 0.200) 15.684 12.584 ( -13.108 -8.601 -4.288) 16.254 13.031 ( -8.974 -7.602 1.106) 11.813 18.477 ( -0.867 -4.543 -0.903) 4.712 18.644 ( 1.488 1.076 -0.571) 1.923 18.960 ( -1.142 -5.673 -0.159) 5.789 19.001 ( -3.471 -1.495 0.626) 3.831 21.309 ( -4.040 -7.027 4.058) 9.065 21.701 ( -8.946 -16.013 5.697) 19.207 27.829 ( -1.007 -2.126 -0.179) 2.360 27.939 ( -0.526 -0.214 -0.004) 0.568 36.595 ( 4.861 6.919 -4.937) 9.792 36.685 ( 15.727 0.478 -0.927) 15.761 37.172 ( 3.041 13.717 4.064) 14.626 38.097 ( 16.427 45.256 -20.804) 52.448 ======================= Grid point 495 (244/294) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 6.434 25.471 13.856) 29.701 2.731 ( -0.853 7.171 23.756) 24.830 3.419 ( 12.391 7.488 -10.873) 18.106 5.053 ( 18.382 0.951 -2.219) 18.540 5.279 ( -3.547 11.197 -0.286) 11.749 5.743 ( -15.494 -11.539 -4.527) 19.842 6.305 ( 20.166 -13.095 8.852) 25.622 6.762 ( -8.813 18.437 -6.315) 21.389 6.962 ( 1.264 -3.123 0.743) 3.450 7.420 ( -0.040 6.385 -2.543) 6.873 8.122 ( 6.479 0.604 1.087) 6.597 8.428 ( 9.786 2.844 -1.256) 10.268 10.663 ( 6.242 -2.304 3.705) 7.615 10.887 ( -6.246 1.775 -0.976) 6.567 11.618 ( 4.844 10.940 -0.323) 11.969 11.989 ( 6.130 3.895 3.561) 8.089 12.179 ( -16.135 -7.409 -3.714) 18.140 12.808 ( -7.979 -7.704 1.557) 11.200 18.391 ( -4.094 -2.506 -1.783) 5.121 18.681 ( 1.353 0.997 -2.562) 3.064 18.840 ( -6.125 -4.923 0.665) 7.886 18.952 ( 1.341 -4.594 0.847) 4.860 21.170 ( -5.509 -6.284 2.558) 8.740 21.456 ( -7.991 -9.906 5.123) 13.720 27.800 ( -0.230 -0.402 -0.914) 1.024 27.934 ( -0.242 0.238 0.375) 0.506 36.631 ( -4.388 11.146 -3.029) 12.356 37.050 ( 26.748 -6.956 -5.183) 28.119 37.449 ( 6.540 17.534 6.145) 19.697 38.670 ( 18.512 30.918 -18.960) 40.720 ======================= Grid point 496 (245/294) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -1.046 12.833 2.800) 13.177 3.013 ( 8.817 16.280 13.892) 23.146 3.803 ( 23.826 10.905 -6.648) 27.033 5.127 ( -16.260 1.667 2.209) 16.494 5.366 ( 15.802 2.191 1.470) 16.021 5.457 ( -3.143 -6.917 -7.421) 10.620 6.477 ( 11.147 -15.429 -4.419) 19.541 6.771 ( -5.062 13.709 -0.356) 14.618 6.977 ( 1.534 -1.827 -3.232) 4.017 7.530 ( 0.880 11.570 4.994) 12.633 8.174 ( -0.868 -0.527 0.509) 1.136 8.558 ( 5.245 -1.042 -0.170) 5.350 10.771 ( -7.240 3.771 1.864) 8.373 10.817 ( 9.091 -4.148 4.167) 10.826 11.686 ( -13.338 -1.242 2.730) 13.671 11.806 ( -0.202 -0.120 2.119) 2.132 12.237 ( 7.636 2.804 -2.509) 8.513 12.644 ( -4.961 -4.494 1.944) 6.971 18.286 ( -4.740 -0.313 -2.189) 5.230 18.634 ( -2.630 -6.971 -2.726) 7.934 18.708 ( -6.394 1.982 1.256) 6.811 18.975 ( 5.505 -4.152 0.088) 6.895 21.048 ( -3.926 -3.664 1.503) 5.576 21.275 ( -6.316 -6.609 2.705) 9.533 27.809 ( 1.396 1.225 -0.936) 2.079 27.935 ( -0.452 0.430 0.543) 0.827 36.658 ( -3.545 10.818 -2.348) 11.623 37.361 ( 21.182 -6.940 -6.780) 23.298 37.743 ( 4.369 14.993 4.194) 16.170 39.156 ( 18.528 19.339 -10.106) 28.626 ======================= Grid point 497 (246/294) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 3.185 2.170 -9.287) 10.055 3.338 ( 0.222 15.958 9.011) 18.327 4.248 ( 18.103 10.782 -10.504) 23.544 4.940 ( -7.557 1.655 9.330) 12.120 5.332 ( -1.784 -2.030 -9.166) 9.556 5.736 ( 17.742 7.700 6.845) 20.516 6.412 ( 5.083 -11.519 -7.845) 14.835 6.744 ( -4.427 -13.686 0.733) 14.403 6.938 ( -5.208 13.240 -8.253) 16.448 7.656 ( -3.546 10.202 5.470) 12.107 8.141 ( -1.142 -1.136 3.714) 4.048 8.611 ( 2.511 -3.915 4.672) 6.593 10.630 ( -9.883 -0.124 -0.843) 9.919 10.996 ( 8.404 -2.064 6.218) 10.656 11.482 ( -3.982 -6.621 4.232) 8.809 11.877 ( 2.232 3.619 2.442) 4.903 12.326 ( 2.804 0.977 -3.583) 4.654 12.552 ( -4.205 -1.511 1.418) 4.688 18.219 ( -2.241 1.696 -1.907) 3.397 18.485 ( -6.590 -4.015 1.222) 7.813 18.660 ( -0.247 -0.655 -1.428) 1.590 19.026 ( 4.273 -3.096 -0.961) 5.364 20.980 ( -1.852 -1.545 0.631) 2.493 21.134 ( -4.867 -4.399 1.063) 6.646 27.856 ( 2.434 1.924 -0.827) 3.211 27.931 ( -0.925 0.511 0.878) 1.374 36.694 ( -3.326 10.293 -1.678) 10.946 37.568 ( 14.512 -5.668 -7.165) 17.148 37.908 ( -0.997 9.516 1.071) 9.628 39.585 ( 17.743 11.081 -2.469) 21.064 ======================= Grid point 498 (247/294) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( 6.704 -3.022 -15.278) 16.956 3.374 ( -12.954 6.549 6.222) 15.792 4.525 ( 9.689 11.297 -14.427) 20.728 4.972 ( -0.099 3.038 7.930) 8.492 5.278 ( 0.217 4.499 -6.452) 7.868 6.008 ( 4.067 -3.819 3.032) 6.350 6.378 ( -6.909 -16.957 -3.710) 18.682 6.581 ( 15.634 2.773 2.386) 16.057 6.936 ( -9.270 14.560 -3.918) 17.700 7.703 ( -1.234 7.477 0.726) 7.613 8.149 ( -0.543 -3.817 9.412) 10.171 8.599 ( -1.979 -7.005 6.995) 10.095 10.432 ( -10.238 -1.254 -3.268) 10.820 11.063 ( -1.095 -2.626 4.789) 5.570 11.485 ( 8.746 -7.827 5.770) 13.078 11.982 ( 4.583 2.701 2.870) 6.045 12.315 ( -3.377 0.103 -2.465) 4.182 12.492 ( -1.348 1.069 -1.335) 2.178 18.229 ( 1.105 3.736 -1.147) 4.061 18.363 ( -5.605 -0.443 2.024) 5.976 18.671 ( 3.665 -1.651 -1.617) 4.333 19.037 ( 1.641 -3.687 -1.837) 4.434 20.951 ( -0.963 -0.701 0.176) 1.204 21.036 ( -2.814 -2.314 0.508) 3.679 27.892 ( -0.402 0.909 -0.959) 1.381 27.942 ( 1.304 1.207 1.255) 2.175 36.724 ( -4.191 9.890 -1.065) 10.793 37.673 ( 7.944 -4.177 -7.042) 11.408 37.914 ( -5.807 3.273 0.045) 6.666 39.944 ( 15.326 5.306 -0.391) 16.223 ======================= Grid point 505 (248/294) ======================= q-point: ( 0.33 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -7.908 19.820 18.690) 28.367 2.564 ( -0.212 21.233 13.676) 25.257 3.336 ( 4.347 8.010 14.518) 17.142 4.558 ( -17.529 -0.160 -0.516) 17.537 5.032 ( -4.512 6.293 -5.208) 9.332 5.780 ( 5.871 -14.869 5.544) 16.920 6.628 ( 0.057 -0.966 2.165) 2.372 6.901 ( 7.811 3.352 -9.257) 12.567 7.017 ( -5.270 18.008 -0.313) 18.766 7.335 ( 2.586 -7.673 -6.276) 10.245 7.752 ( -8.828 -1.705 6.642) 11.178 8.211 ( -6.767 0.357 -1.061) 6.859 10.761 ( 2.719 -0.288 -3.083) 4.120 10.980 ( -13.382 2.316 -6.571) 15.087 11.362 ( 8.057 16.306 4.495) 18.735 11.665 ( -11.752 4.953 2.335) 12.965 12.570 ( 12.650 -9.201 -3.996) 16.145 13.055 ( 8.642 -5.796 0.461) 10.416 18.479 ( -0.293 -7.423 -0.580) 7.452 18.581 ( 2.254 -0.263 0.935) 2.454 18.974 ( 1.041 -1.880 -1.050) 2.392 19.048 ( 0.917 -1.093 -0.333) 1.465 21.308 ( 4.139 -7.188 4.096) 9.251 21.702 ( 8.844 -15.785 5.673) 18.963 27.823 ( 1.193 -2.460 -0.025) 2.734 27.949 ( 0.257 0.296 -0.277) 0.480 36.462 ( -8.804 0.579 -1.272) 8.914 36.669 ( -4.426 3.258 -0.016) 5.496 37.354 ( -12.012 16.280 0.360) 20.236 38.058 ( -14.644 45.906 -21.498) 52.764 ======================= Grid point 506 (249/294) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( -5.021 19.683 14.987) 25.244 2.804 ( -0.012 17.234 10.277) 20.066 3.534 ( -6.207 5.643 2.029) 8.631 4.464 ( 6.321 7.834 1.657) 10.202 5.109 ( 6.022 11.008 0.193) 12.549 5.799 ( 9.063 -16.069 7.414) 19.883 6.372 ( -17.932 -8.418 -3.599) 20.134 6.958 ( 4.630 -5.674 -5.520) 9.171 7.091 ( -9.440 22.692 -2.048) 24.663 7.339 ( 6.106 -1.288 -7.615) 9.846 7.835 ( 5.146 5.707 12.769) 14.903 8.134 ( 0.657 -0.149 -0.747) 1.006 10.690 ( -7.493 0.257 2.189) 7.810 10.940 ( 4.693 5.475 -6.055) 9.416 11.565 ( -6.491 5.978 2.570) 9.191 11.667 ( 7.902 12.410 1.901) 14.834 12.562 ( 0.942 -10.004 -6.695) 12.075 13.058 ( -1.578 -6.996 -2.323) 7.539 18.407 ( 1.251 -6.964 0.251) 7.080 18.620 ( 1.632 -0.393 0.418) 1.730 18.927 ( -1.844 -5.103 -0.969) 5.511 19.034 ( -0.999 -1.370 0.145) 1.701 21.282 ( 0.067 -9.036 3.248) 9.602 21.636 ( -0.122 -16.226 5.122) 17.016 27.809 ( 0.269 -2.461 -0.132) 2.480 27.948 ( -0.464 0.362 -0.262) 0.644 36.391 ( 3.713 1.800 0.052) 4.126 36.799 ( 1.981 13.762 1.421) 13.976 37.293 ( -6.222 11.476 0.433) 13.061 38.336 ( 0.836 47.272 -20.789) 51.648 ======================= Grid point 507 (250/294) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 9.066 23.913 11.680) 28.114 3.021 ( -2.425 11.416 19.467) 22.697 3.363 ( -8.404 7.763 -13.328) 17.565 4.722 ( 14.262 2.322 -4.816) 15.231 5.374 ( 4.492 9.817 1.939) 10.969 5.844 ( 5.911 -10.885 -2.971) 12.738 5.987 ( -9.417 -10.167 7.812) 15.908 6.897 ( -0.227 -7.949 -1.973) 8.193 7.144 ( -10.065 25.385 -3.157) 27.489 7.425 ( 5.737 4.402 -3.961) 8.245 8.002 ( 6.283 -0.425 5.143) 8.131 8.264 ( 9.505 1.998 2.536) 10.039 10.637 ( -1.143 0.906 4.028) 4.284 11.018 ( -2.191 6.885 -2.108) 7.526 11.619 ( 4.339 6.932 1.005) 8.239 11.898 ( 7.713 5.315 2.215) 9.625 12.343 ( -10.972 -8.606 -8.270) 16.212 12.865 ( -8.255 -9.204 -0.724) 12.385 18.378 ( 1.193 -3.921 -1.806) 4.479 18.642 ( 1.447 -0.650 -0.108) 1.590 18.818 ( -1.608 -8.293 0.039) 8.447 18.982 ( -4.240 -1.021 0.979) 4.470 21.182 ( -2.754 -8.079 2.049) 8.778 21.474 ( -4.198 -12.497 4.322) 13.874 27.792 ( 0.043 -0.782 -0.538) 0.950 27.944 ( -0.304 0.495 -0.006) 0.581 36.593 ( 17.088 0.951 -2.957) 17.368 36.890 ( -8.462 15.315 0.931) 17.522 37.472 ( 10.287 11.656 5.386) 16.452 38.714 ( 5.679 37.439 -18.970) 42.353 ======================= Grid point 508 (251/294) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -11.499 2.882 8.925) 14.839 3.139 ( 9.751 31.603 11.422) 34.990 3.520 ( 15.602 13.716 -3.631) 21.089 4.966 ( 19.207 -0.722 -9.732) 21.544 5.397 ( -1.448 -2.710 -2.575) 4.009 5.537 ( -20.828 -0.887 2.030) 20.946 6.083 ( 13.735 -13.965 -0.507) 19.594 6.807 ( -0.539 -8.349 0.343) 8.374 7.200 ( -10.287 24.228 -4.331) 26.675 7.608 ( 7.643 9.918 3.213) 12.927 8.118 ( 5.817 -2.960 3.102) 7.226 8.410 ( 6.481 -2.582 -0.427) 6.990 10.701 ( 4.734 0.335 4.887) 6.812 10.980 ( -8.817 6.739 0.403) 11.105 11.789 ( 4.848 5.088 2.095) 7.334 11.932 ( -14.544 -7.475 -2.950) 16.617 12.108 ( 5.646 1.569 -2.148) 6.241 12.664 ( -4.256 -7.894 0.827) 9.007 18.333 ( -2.097 -0.645 -3.574) 4.194 18.593 ( -2.759 -5.655 -2.578) 6.800 18.797 ( 4.831 -3.342 3.141) 6.662 18.882 ( -5.826 -2.144 1.235) 6.330 21.072 ( -3.002 -5.201 1.102) 6.105 21.307 ( -4.776 -8.909 2.521) 10.418 27.797 ( 0.871 1.209 -0.693) 1.644 27.947 ( -0.073 0.526 0.238) 0.582 36.885 ( -8.340 16.133 -1.512) 18.224 36.904 ( 20.671 -2.345 -5.255) 21.457 37.809 ( 9.121 10.866 8.934) 16.766 39.068 ( 9.454 25.455 -12.903) 30.064 ======================= Grid point 509 (252/294) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( -11.389 6.162 0.983) 12.986 3.604 ( 0.695 28.558 9.220) 30.018 3.961 ( 21.035 8.482 -0.876) 22.697 5.176 ( -6.799 2.397 -2.004) 7.483 5.287 ( 0.941 2.139 -5.624) 6.090 5.441 ( 16.554 1.041 2.966) 16.850 6.072 ( 8.427 -18.848 -6.884) 21.763 6.673 ( -4.021 -12.129 -2.206) 12.967 7.224 ( -10.092 21.353 -5.029) 24.148 7.857 ( 2.681 11.819 7.839) 14.433 8.133 ( -1.143 -3.752 0.982) 4.043 8.466 ( 7.544 -8.266 0.796) 11.219 10.808 ( -1.139 1.390 0.766) 1.953 10.892 ( -2.796 2.287 4.845) 6.043 11.576 ( -12.224 -8.322 -0.015) 14.788 11.909 ( 0.721 5.058 3.466) 6.174 12.223 ( 6.667 -0.845 -3.509) 7.582 12.571 ( -0.788 -4.790 0.905) 4.938 18.269 ( -3.183 1.627 -4.069) 5.416 18.486 ( -0.918 -6.294 -0.165) 6.363 18.748 ( -7.867 0.518 1.143) 7.967 18.893 ( 6.619 -3.960 1.396) 7.839 20.995 ( -1.878 -2.524 0.414) 3.174 21.166 ( -4.130 -5.990 1.009) 7.345 27.836 ( 1.835 2.376 -0.629) 3.068 27.951 ( -0.293 0.471 0.508) 0.753 36.896 ( -6.445 13.803 -0.992) 15.266 37.195 ( 18.408 -1.071 -7.995) 20.097 38.036 ( 0.935 7.987 7.471) 10.976 39.411 ( 13.190 14.072 -5.145) 19.962 ======================= Grid point 510 (253/294) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -8.665 7.095 -3.196) 11.646 3.764 ( -13.891 17.516 6.105) 23.174 4.318 ( 15.270 2.830 -4.403) 16.142 5.088 ( -3.961 6.463 4.961) 9.059 5.312 ( -0.926 10.255 -9.774) 14.196 5.811 ( 10.260 -12.714 5.024) 17.092 6.136 ( 27.976 -0.412 -7.048) 28.853 6.410 ( -8.327 -13.258 -3.418) 16.025 7.222 ( -9.709 16.526 -3.990) 19.578 7.927 ( -9.708 10.895 3.127) 14.924 8.118 ( 3.675 -6.187 6.924) 9.987 8.502 ( 5.525 -11.122 2.843) 12.740 10.644 ( -14.663 3.265 -2.304) 15.198 11.001 ( 6.954 -4.227 5.839) 10.016 11.371 ( -2.603 -8.019 2.318) 8.744 11.980 ( 1.028 2.984 3.781) 4.925 12.282 ( 3.717 -0.763 -3.891) 5.435 12.521 ( -1.395 -2.263 -0.267) 2.672 18.230 ( -0.896 2.343 -3.826) 4.575 18.444 ( 0.207 -2.891 3.180) 4.303 18.644 ( -4.333 0.533 -0.780) 4.435 18.947 ( 3.459 -3.897 0.073) 5.211 20.959 ( -0.772 -0.885 0.055) 1.176 21.060 ( -3.003 -3.614 0.330) 4.710 27.888 ( 1.438 2.248 -0.942) 2.830 27.953 ( -0.228 0.498 1.079) 1.210 36.922 ( -5.659 13.173 -0.916) 14.366 37.421 ( 13.620 -0.379 -7.923) 15.761 38.075 ( -6.604 3.726 4.870) 9.012 39.730 ( 14.249 5.387 -1.051) 15.269 ======================= Grid point 517 (254/294) ======================= q-point: ( 0.33 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.573 ( -7.121 21.968 10.683) 25.445 2.847 ( 0.995 23.124 14.523) 27.325 3.463 ( -9.403 10.871 -3.589) 14.815 4.812 ( -13.339 -8.064 -6.040) 16.716 5.148 ( -4.600 -0.536 8.113) 9.342 5.615 ( 0.998 -8.193 0.033) 8.253 6.479 ( 10.732 -4.938 -3.978) 12.465 6.955 ( -3.370 11.839 3.434) 12.779 7.072 ( 0.671 -3.492 -8.466) 9.182 7.374 ( -5.036 13.996 -1.181) 14.921 7.932 ( -7.609 -2.013 4.743) 9.190 8.347 ( -8.419 -1.386 1.212) 8.618 10.690 ( 2.354 -0.335 -0.101) 2.380 11.177 ( -8.213 3.020 -8.620) 12.283 11.453 ( 1.649 13.802 6.031) 15.152 11.863 ( -3.955 -5.324 8.097) 10.466 12.228 ( 11.062 -3.076 -5.136) 12.578 12.830 ( 9.975 -6.333 0.734) 11.838 18.377 ( 3.532 -5.509 -1.324) 6.677 18.564 ( -0.725 -3.263 2.084) 3.938 18.901 ( 5.399 -0.079 -2.708) 6.041 19.024 ( -0.954 -2.027 -0.912) 2.419 21.166 ( 5.552 -6.565 2.745) 9.026 21.461 ( 8.030 -9.545 4.936) 13.415 27.790 ( 0.125 -0.906 -0.521) 1.052 27.948 ( 0.535 0.829 -0.153) 0.998 36.552 ( 0.988 6.881 -1.804) 7.182 36.892 ( -20.191 -4.543 2.213) 20.813 37.746 ( -10.418 20.900 -2.353) 23.470 38.600 ( -17.983 29.018 -18.801) 38.973 ======================= Grid point 518 (255/294) ======================= q-point: ( 0.42 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.653 ( -10.843 12.851 9.919) 19.522 3.040 ( -4.372 20.846 0.013) 21.300 3.576 ( 3.203 8.218 -5.547) 10.420 4.602 ( -3.994 6.751 4.877) 9.236 5.155 ( -0.138 6.079 6.624) 8.992 5.574 ( 3.902 -11.958 4.108) 13.232 6.616 ( -3.608 -0.732 2.514) 4.458 6.696 ( -3.619 -9.427 -11.369) 15.206 7.124 ( 8.807 -4.796 -6.926) 12.188 7.458 ( -6.722 21.422 -1.980) 22.540 7.969 ( -0.799 9.642 12.128) 15.514 8.204 ( -7.070 -0.310 3.227) 7.778 10.753 ( 2.690 0.385 0.946) 2.877 10.962 ( -7.747 2.731 -6.264) 10.330 11.698 ( 4.491 12.440 2.862) 13.532 11.751 ( -7.761 -1.006 5.559) 9.599 12.334 ( 8.953 -7.730 -7.246) 13.871 12.921 ( 7.153 -6.470 -2.560) 9.978 18.323 ( 0.093 -7.788 0.729) 7.823 18.583 ( 2.562 -0.712 1.151) 2.898 18.912 ( -2.393 -3.690 -2.079) 4.864 19.000 ( 2.830 -1.952 -0.723) 3.513 21.179 ( 2.938 -8.185 2.206) 8.971 21.480 ( 3.959 -12.258 4.110) 13.522 27.783 ( 0.323 -1.055 -0.151) 1.114 27.957 ( -0.180 0.760 -0.546) 0.953 36.500 ( -11.350 2.619 1.673) 11.768 36.829 ( 7.682 11.172 2.205) 13.736 37.648 ( -17.511 13.672 -0.535) 22.222 38.682 ( -3.089 37.755 -18.604) 42.203 ======================= Grid point 519 (256/294) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.664 ( 1.751 7.353 -0.127) 7.560 3.211 ( 0.610 12.000 8.971) 14.995 3.536 ( -5.223 9.781 -13.884) 17.769 4.715 ( -3.453 9.949 8.053) 13.257 5.387 ( 6.687 10.719 4.433) 13.389 5.550 ( 8.923 -10.208 0.782) 13.581 6.253 ( -19.909 -2.220 0.940) 20.054 6.746 ( 6.842 -9.097 -1.481) 11.479 7.241 ( 12.999 -1.783 -4.317) 13.813 7.521 ( -7.280 20.599 -5.574) 22.548 7.988 ( -4.110 -2.745 3.674) 6.158 8.275 ( 1.204 11.425 10.800) 15.768 10.708 ( -4.107 -2.059 2.929) 5.448 11.028 ( 6.822 8.283 -3.918) 11.424 11.669 ( -3.436 2.706 1.292) 4.561 11.867 ( 3.640 3.601 3.754) 6.349 12.294 ( 0.260 -6.790 -8.907) 11.203 12.869 ( -2.870 -8.327 -4.320) 9.810 18.282 ( 2.708 -5.782 0.636) 6.416 18.620 ( 1.621 -0.288 1.079) 1.969 18.780 ( -3.942 -8.104 -1.815) 9.192 19.020 ( -0.129 -0.123 0.276) 0.328 21.133 ( 0.093 -7.651 1.426) 7.783 21.408 ( -0.221 -11.847 3.102) 12.248 27.781 ( 0.312 0.016 -0.082) 0.323 27.954 ( -0.448 0.477 -0.625) 0.905 36.450 ( 1.621 3.468 0.677) 3.888 37.137 ( 5.361 14.690 7.289) 17.253 37.521 ( -7.243 11.670 -1.318) 13.798 38.941 ( 0.532 34.687 -16.436) 38.387 ======================= Grid point 520 (257/294) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( 16.899 0.864 1.171) 16.962 3.329 ( 1.982 6.993 5.496) 9.113 3.641 ( 1.013 25.340 -1.346) 25.396 4.772 ( 0.051 7.374 -0.579) 7.397 5.366 ( -1.573 -6.935 -0.873) 7.164 5.761 ( 8.638 2.809 -7.358) 11.689 5.931 ( -18.476 -2.550 7.260) 20.014 6.725 ( 0.991 -7.989 1.518) 8.192 7.470 ( 14.702 0.870 1.384) 14.792 7.584 ( -6.277 21.225 -5.473) 22.801 7.950 ( 4.777 -6.524 1.273) 8.185 8.414 ( -2.210 7.149 5.563) 9.325 10.678 ( 0.841 -1.834 3.861) 4.356 11.155 ( -1.507 6.882 -0.003) 7.045 11.739 ( 6.335 4.728 -0.340) 7.912 11.917 ( 0.988 -4.202 -3.004) 5.259 12.150 ( -6.322 -1.174 -4.428) 7.807 12.666 ( -6.215 -9.269 -1.630) 11.278 18.289 ( 2.738 -2.865 -2.267) 4.565 18.600 ( -4.740 -4.933 -1.914) 7.104 18.677 ( 3.887 -4.614 3.099) 6.782 18.987 ( -4.325 0.339 1.282) 4.524 21.060 ( -1.331 -5.430 0.664) 5.630 21.288 ( -2.422 -9.585 1.871) 10.061 27.796 ( 0.615 1.646 -0.148) 1.764 27.950 ( 0.027 0.194 -0.441) 0.482 36.599 ( 11.778 1.948 -1.802) 12.073 37.225 ( -11.446 15.734 2.136) 19.574 37.735 ( 13.760 8.072 7.181) 17.495 39.190 ( 1.021 27.866 -12.386) 30.511 ======================= Grid point 521 (258/294) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -1.215 1.637 2.395) 3.145 3.675 ( 19.825 9.389 10.801) 24.451 3.947 ( 3.994 24.366 1.645) 24.746 4.916 ( 13.328 4.926 -6.284) 15.536 5.321 ( 0.741 3.855 -3.441) 5.221 5.617 ( -18.888 2.555 3.859) 19.447 5.768 ( 2.478 -13.483 -5.368) 14.723 6.625 ( -3.440 -8.656 -1.078) 9.377 7.595 ( -9.966 17.626 -3.180) 20.497 7.778 ( 13.831 1.022 4.349) 14.535 8.044 ( 11.417 -4.997 0.366) 12.468 8.386 ( -6.674 0.742 -0.039) 6.716 10.729 ( 5.042 -3.250 4.450) 7.469 11.124 ( -8.985 5.928 1.381) 10.852 11.679 ( -10.630 -8.322 -5.645) 14.633 11.960 ( 5.067 7.201 -0.988) 8.860 12.091 ( 1.695 -2.011 0.389) 2.659 12.520 ( -0.833 -6.582 -0.422) 6.648 18.279 ( 0.546 -1.281 -3.848) 4.092 18.463 ( -3.576 -4.851 -0.949) 6.101 18.742 ( 4.992 -4.070 2.754) 7.005 18.908 ( -6.126 1.768 2.327) 6.788 20.997 ( -1.281 -2.935 0.122) 3.204 21.167 ( -2.846 -6.838 0.766) 7.446 27.833 ( 1.236 2.726 -0.149) 2.997 27.954 ( 0.375 0.019 -0.167) 0.411 36.835 ( 15.422 -0.281 -3.434) 15.802 37.203 ( -9.007 16.248 -1.029) 18.606 38.056 ( 9.510 4.034 9.940) 14.336 39.403 ( 3.000 19.138 -6.899) 20.564 ======================= Grid point 522 (259/294) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -9.472 7.753 2.826) 12.562 4.068 ( 14.159 -0.547 5.489) 15.196 4.185 ( -6.873 19.499 3.958) 21.051 5.201 ( 7.024 2.827 -3.564) 8.369 5.432 ( -1.022 20.639 -8.450) 22.325 5.527 ( 10.861 -1.276 11.231) 15.676 5.619 ( 9.865 -16.302 -8.792) 20.985 6.435 ( -7.577 -6.918 -3.207) 10.749 7.553 ( -11.741 15.312 -3.335) 19.581 7.961 ( 9.303 -10.133 4.668) 14.526 8.178 ( -2.054 8.186 1.020) 8.501 8.270 ( 3.468 -10.488 -1.014) 11.093 10.818 ( 5.843 -3.654 4.171) 8.055 10.988 ( -13.349 4.308 1.329) 14.089 11.388 ( -8.504 -9.042 -3.165) 12.810 12.036 ( -1.698 2.067 4.077) 4.876 12.161 ( 7.232 0.490 -4.177) 8.366 12.479 ( 1.518 -3.846 -1.071) 4.272 18.255 ( -0.616 0.670 -3.387) 3.507 18.388 ( 0.248 -3.635 0.638) 3.699 18.733 ( -2.872 -2.017 0.283) 3.521 18.888 ( 0.046 0.789 2.965) 3.068 20.961 ( -0.634 -1.106 -0.116) 1.280 21.069 ( -2.395 -4.371 0.128) 4.986 27.886 ( 1.498 2.903 -0.267) 3.278 27.958 ( 0.227 -0.220 0.225) 0.389 37.051 ( 9.457 1.342 -1.610) 9.686 37.243 ( -0.816 13.011 -4.316) 13.732 38.210 ( -0.403 1.592 7.809) 7.980 39.605 ( 6.598 9.747 -2.115) 11.959 ======================= Grid point 530 (260/294) ======================= q-point: ( 0.33 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.899 ( -5.678 14.989 2.449) 16.214 3.152 ( 1.404 30.459 8.963) 31.781 3.839 ( -20.404 12.620 -8.455) 25.438 4.819 ( -2.905 -8.488 -1.050) 9.033 5.245 ( -7.697 -6.014 8.375) 12.866 5.567 ( 1.150 -1.109 -2.202) 2.720 6.248 ( 1.661 -10.905 -9.234) 14.385 6.825 ( 7.446 -7.352 -3.585) 11.061 7.345 ( -10.330 13.502 8.347) 18.939 7.560 ( 1.209 15.738 -3.107) 16.087 7.970 ( -0.280 -4.733 0.460) 4.764 8.454 ( -6.258 -4.656 1.998) 8.052 10.687 ( 0.574 1.432 3.035) 3.405 11.210 ( 3.230 3.442 -3.285) 5.751 11.615 ( -1.513 9.539 5.827) 11.280 11.739 ( 4.827 -9.204 6.537) 12.278 12.195 ( -4.543 -0.108 -4.243) 6.217 12.622 ( 7.277 -5.880 0.807) 9.390 18.263 ( 4.061 -2.524 -0.434) 4.801 18.535 ( 0.754 -5.850 1.941) 6.209 18.785 ( 5.894 1.522 -3.491) 7.017 19.031 ( -2.726 -1.962 -1.649) 3.742 21.043 ( 3.804 -3.839 1.733) 5.675 21.279 ( 6.549 -6.458 2.442) 9.516 27.801 ( -1.728 0.902 -0.498) 2.012 27.943 ( 0.969 0.673 0.018) 1.180 36.587 ( 1.829 7.236 -1.152) 7.552 37.220 ( -20.830 -4.625 2.652) 21.501 38.024 ( -1.375 18.827 -8.640) 20.761 39.080 ( -20.429 16.528 -7.602) 27.355 ======================= Grid point 531 (261/294) ======================= q-point: ( 0.42 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -6.135 5.333 6.714) 10.543 3.414 ( -14.757 24.566 -4.063) 28.944 3.677 ( -5.827 15.986 -7.349) 18.534 4.699 ( -0.443 5.175 3.568) 6.302 5.211 ( 2.526 -2.440 10.141) 10.732 5.512 ( -4.269 -4.768 1.317) 6.534 6.260 ( 15.794 -8.990 -9.769) 20.633 6.852 ( 7.139 -9.013 -3.066) 11.900 7.094 ( -23.940 1.486 2.204) 24.087 7.728 ( -2.721 19.118 -3.415) 19.611 8.079 ( 4.033 6.054 6.397) 9.687 8.330 ( -3.985 -0.576 3.664) 5.444 10.734 ( 0.871 3.165 1.951) 3.819 11.085 ( -8.940 -2.839 -6.228) 11.260 11.743 ( 3.246 -7.031 8.755) 11.689 11.808 ( 1.968 7.290 1.620) 7.723 12.148 ( 2.539 0.291 -4.873) 5.502 12.705 ( 8.800 -5.658 -1.298) 10.542 18.263 ( -0.127 -5.048 0.862) 5.123 18.527 ( 2.905 -2.650 1.465) 4.196 18.891 ( 5.908 1.689 -2.526) 6.644 18.927 ( -3.663 -5.945 -1.760) 7.201 21.067 ( 3.053 -5.215 1.397) 6.202 21.314 ( 4.904 -8.775 2.111) 10.272 27.786 ( -0.961 0.921 0.021) 1.331 27.961 ( 0.348 0.791 -0.617) 1.061 36.745 ( -1.211 11.021 2.560) 11.379 36.872 ( -10.629 1.160 1.190) 10.758 38.039 ( -11.965 12.008 -3.893) 17.393 39.001 ( -7.203 25.797 -10.049) 28.607 ======================= Grid point 532 (262/294) ======================= q-point: ( 0.50 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( -12.191 -3.565 -3.250) 13.111 3.339 ( -6.946 10.058 -4.543) 13.040 3.716 ( -5.202 18.545 -3.771) 19.627 4.902 ( 1.318 8.207 12.449) 14.969 5.350 ( 2.210 -8.718 2.558) 9.351 5.445 ( 6.017 15.535 -0.399) 16.664 6.402 ( 10.261 -9.186 -3.768) 14.278 6.694 ( -18.171 3.793 3.821) 18.952 6.946 ( 11.931 -8.783 -1.441) 14.885 7.758 ( -8.346 10.734 -7.441) 15.499 8.093 ( -4.415 0.111 4.264) 6.138 8.451 ( 1.835 12.842 7.951) 15.216 10.738 ( -2.876 -5.143 2.374) 6.353 10.989 ( 2.695 6.808 -5.332) 9.058 11.703 ( 0.210 -9.078 3.539) 9.746 11.885 ( -0.747 5.802 -1.828) 6.129 12.194 ( 2.817 0.552 -2.506) 3.811 12.755 ( 4.123 -6.602 -4.152) 8.822 18.210 ( -0.002 -4.895 2.226) 5.377 18.576 ( 3.450 -0.981 0.499) 3.622 18.770 ( -5.000 -7.583 -2.131) 9.329 18.988 ( 4.080 1.063 -0.547) 4.251 21.058 ( 1.429 -5.398 0.844) 5.648 21.294 ( 2.227 -9.536 1.581) 9.919 27.788 ( -0.295 1.492 0.383) 1.569 27.961 ( -0.422 0.367 -1.051) 1.190 36.583 ( -11.139 3.401 2.152) 11.844 37.120 ( 12.434 12.754 6.366) 18.915 37.864 ( -16.429 9.163 -2.287) 18.950 39.176 ( 0.250 28.295 -10.689) 30.248 ======================= Grid point 533 (263/294) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( 7.470 -1.653 0.744) 7.687 3.325 ( 0.557 5.036 -5.866) 7.751 3.855 ( -1.323 18.257 4.722) 18.904 4.952 ( -5.615 5.440 3.407) 8.528 5.279 ( 2.095 -8.423 2.328) 8.987 5.736 ( 1.886 16.768 -6.235) 17.989 6.258 ( -15.349 -0.890 4.205) 15.939 6.647 ( 2.243 -1.724 4.244) 5.101 7.141 ( 19.371 -8.024 1.313) 21.008 7.654 ( -1.685 0.646 -7.121) 7.346 8.053 ( -7.259 7.679 1.587) 10.685 8.592 ( -3.228 9.996 3.731) 11.147 10.648 ( -0.269 -7.186 2.715) 7.686 11.146 ( 6.652 5.761 -3.049) 9.313 11.675 ( 3.911 -1.863 -1.708) 4.657 11.886 ( -1.553 1.876 -4.637) 5.238 12.207 ( -2.130 1.562 0.879) 2.784 12.653 ( -3.749 -8.804 -3.810) 10.300 18.204 ( 2.404 -2.624 0.631) 3.614 18.577 ( -1.934 -9.014 -1.009) 9.274 18.644 ( -0.029 0.448 0.686) 0.820 19.035 ( 0.071 0.872 0.950) 1.292 21.023 ( 0.021 -4.281 0.276) 4.290 21.226 ( -0.163 -8.613 0.960) 8.668 27.809 ( 0.237 2.396 0.500) 2.459 27.948 ( -0.353 -0.126 -1.125) 1.186 36.528 ( -0.442 3.289 0.836) 3.423 37.484 ( 7.335 9.532 11.734) 16.803 37.708 ( -6.661 9.356 -3.435) 11.988 39.401 ( -0.097 25.722 -8.537) 27.102 ======================= Grid point 534 (264/294) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.966 ( 15.690 3.998 10.038) 19.050 3.458 ( 15.287 4.192 -0.929) 15.879 4.037 ( 2.158 11.361 3.848) 12.187 4.920 ( -3.222 5.004 -3.049) 6.687 5.301 ( 3.884 -1.327 5.020) 6.484 5.745 ( -7.754 9.455 -12.002) 17.134 5.996 ( -19.063 1.392 7.211) 20.429 6.618 ( -3.725 -4.175 0.398) 5.610 7.400 ( 19.900 -13.392 2.613) 24.128 7.727 ( 9.989 2.746 -2.521) 10.662 8.016 ( -7.226 11.674 -1.379) 13.799 8.560 ( -9.001 4.031 -2.049) 10.073 10.622 ( 3.817 -7.734 3.547) 9.326 11.217 ( 0.916 -1.420 -2.305) 2.858 11.737 ( -2.479 0.823 -5.534) 6.120 11.869 ( 4.283 5.235 -4.982) 8.401 12.161 ( -5.278 0.415 3.516) 6.356 12.486 ( -3.182 -6.759 -1.038) 7.542 18.215 ( 1.600 -2.514 -2.246) 3.731 18.455 ( -1.372 -6.039 -0.486) 6.212 18.682 ( 1.649 0.507 2.459) 3.004 19.019 ( -3.593 1.080 2.054) 4.277 20.985 ( -0.520 -2.528 -0.117) 2.583 21.138 ( -1.373 -6.675 0.340) 6.823 27.845 ( 0.636 2.681 0.479) 2.796 27.942 ( 0.442 -0.118 -0.930) 1.037 36.622 ( 8.111 1.585 -0.880) 8.312 37.516 ( -10.506 11.010 1.899) 15.336 37.925 ( 13.630 2.878 7.928) 16.029 39.578 ( -2.177 21.102 -5.142) 21.829 ======================= Grid point 536 (265/294) ======================= q-point: (-0.25 -0.42 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 0.199 5.458 4.564) 7.117 3.889 ( 15.944 0.429 15.254) 22.070 4.247 ( 14.691 8.293 -2.776) 17.097 4.946 ( 6.645 3.004 -5.647) 9.223 5.349 ( 2.708 -12.343 0.206) 12.639 5.650 ( -8.390 12.279 -7.993) 16.883 5.763 ( -14.953 11.466 9.377) 21.047 6.499 ( -5.564 0.011 -2.204) 5.985 7.556 ( 15.619 -17.501 1.389) 23.498 7.877 ( -0.283 8.283 -4.523) 9.442 8.070 ( 2.576 5.284 1.945) 6.192 8.376 ( -9.874 -0.695 -5.283) 11.220 10.661 ( 7.282 -7.542 4.217) 11.300 11.159 ( -2.180 -4.262 -2.718) 5.505 11.519 ( -16.605 -0.776 -4.593) 17.246 12.009 ( 6.215 0.479 -3.650) 7.223 12.125 ( -1.253 3.612 3.138) 4.947 12.420 ( 0.420 -2.353 -0.556) 2.454 18.199 ( 2.260 -3.718 -1.246) 4.526 18.398 ( -1.780 -0.338 -1.488) 2.345 18.718 ( 0.883 -0.862 1.855) 2.228 18.975 ( -4.266 1.918 2.924) 5.516 20.958 ( -0.391 -1.052 -0.236) 1.147 21.058 ( -1.530 -4.474 -0.135) 4.730 27.886 ( 1.339 1.565 0.548) 2.131 27.950 ( 0.527 0.736 -0.747) 1.174 36.811 ( 13.207 0.350 -1.668) 13.317 37.469 ( -8.160 10.462 0.103) 13.268 38.172 ( 8.893 -1.636 7.917) 12.018 39.694 ( -2.826 15.154 -1.682) 15.507 ======================= Grid point 543 (266/294) ======================= q-point: ( 0.33 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( -4.457 10.041 -5.206) 12.157 3.441 ( 4.730 31.629 -1.401) 32.011 4.146 ( -10.451 2.468 -9.888) 14.598 4.831 ( -2.345 -0.878 7.947) 8.332 5.414 ( 0.669 1.711 -8.972) 9.158 5.540 ( -13.368 -3.661 13.145) 19.102 6.138 ( -9.582 -14.460 -9.748) 19.898 6.630 ( 3.638 -8.616 -0.929) 9.398 7.413 ( 22.253 10.698 1.283) 24.724 7.689 ( -2.945 10.311 2.023) 10.912 8.002 ( -8.546 0.030 0.653) 8.571 8.498 ( -4.315 -8.083 5.263) 10.566 10.652 ( 7.413 0.949 -0.080) 7.474 11.159 ( 5.129 0.231 4.979) 7.152 11.654 ( -1.937 -1.529 4.970) 5.549 11.801 ( -4.129 5.925 3.394) 7.980 12.219 ( -2.984 -4.179 -3.649) 6.299 12.477 ( 3.700 -4.616 -0.031) 5.916 18.191 ( 3.044 -0.671 0.921) 3.250 18.445 ( 3.483 -4.271 0.692) 5.554 18.722 ( 1.438 1.638 -2.652) 3.433 19.053 ( -2.945 -1.878 -2.201) 4.129 20.977 ( 1.719 -1.611 0.802) 2.488 21.134 ( 4.996 -4.428 0.858) 6.731 27.853 ( -2.512 1.814 -0.537) 3.145 27.930 ( 1.046 0.439 0.561) 1.265 36.620 ( 1.955 6.552 -0.548) 6.859 37.513 ( -15.974 -3.594 2.111) 16.508 38.081 ( 5.838 12.699 -11.340) 17.998 39.538 ( -19.866 9.412 -0.228) 21.984 ======================= Grid point 544 (267/294) ======================= q-point: ( 0.42 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -5.056 2.165 -1.198) 5.629 3.820 ( 0.328 28.210 -6.668) 28.989 3.983 ( -14.461 11.939 -3.682) 19.111 4.828 ( -2.441 9.713 5.203) 11.286 5.249 ( -8.817 0.716 6.571) 11.019 5.541 ( 0.268 -4.705 5.392) 7.162 5.879 ( 7.013 -13.152 -12.525) 19.469 6.618 ( 6.189 -10.009 -0.241) 11.770 7.537 ( -21.976 0.526 4.171) 22.374 7.837 ( 10.920 13.124 -2.529) 17.259 8.035 ( 7.375 8.322 1.046) 11.169 8.362 ( -3.571 -6.779 2.724) 8.132 10.766 ( 3.120 4.038 -0.161) 5.106 11.151 ( -6.689 -4.752 -2.290) 8.519 11.582 ( 3.347 -12.430 6.473) 14.409 11.918 ( 0.631 11.929 4.102) 12.631 12.123 ( -1.149 -2.349 -3.343) 4.244 12.520 ( 6.369 -4.073 -0.278) 7.565 18.236 ( 1.013 -0.924 1.751) 2.224 18.448 ( 2.586 -4.337 0.855) 5.122 18.780 ( 5.239 0.361 -2.124) 5.665 18.947 ( -4.432 -3.270 -2.689) 6.130 20.992 ( 1.842 -2.503 0.702) 3.186 21.168 ( 4.387 -5.945 0.628) 7.415 27.832 ( -2.204 2.279 0.100) 3.172 27.954 ( 0.905 0.565 -0.252) 1.096 36.792 ( 6.476 12.392 1.845) 14.103 37.185 ( -19.622 -0.940 1.489) 19.701 38.207 ( 0.189 9.150 -8.992) 12.830 39.350 ( -13.288 14.108 -0.480) 19.387 ======================= Grid point 545 (268/294) ======================= q-point: ( 0.50 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.896 ( -11.344 -8.480 -3.173) 14.515 3.723 ( -24.203 13.147 -5.805) 28.148 3.968 ( -2.825 17.957 -1.787) 18.265 5.017 ( -1.005 8.186 12.615) 15.072 5.278 ( 0.614 -2.461 1.490) 2.941 5.496 ( 5.044 15.176 -3.220) 16.313 6.023 ( 19.991 -7.032 -1.823) 21.270 6.642 ( 9.055 -11.908 1.511) 15.036 7.155 ( -24.251 1.745 3.993) 24.639 7.968 ( -8.920 7.916 -6.202) 13.442 8.125 ( 2.076 -1.434 1.754) 3.073 8.459 ( 11.364 5.876 2.071) 12.960 10.788 ( -6.574 -3.203 2.372) 7.688 10.981 ( 0.392 1.082 -5.691) 5.807 11.558 ( 4.085 -11.852 2.272) 12.741 11.968 ( -3.651 4.613 -3.528) 6.860 12.167 ( 3.929 3.370 3.050) 6.008 12.592 ( 6.038 -3.991 -1.653) 7.424 18.210 ( -2.397 -2.413 3.275) 4.721 18.489 ( 4.934 -1.623 -0.597) 5.228 18.767 ( -3.818 -7.515 -1.245) 8.521 18.918 ( 4.585 2.621 -1.756) 5.565 20.996 ( 1.306 -2.900 0.385) 3.203 21.171 ( 2.999 -6.785 0.388) 7.428 27.826 ( -1.408 2.601 0.644) 3.027 27.963 ( -0.038 0.243 -0.969) 1.000 36.875 ( -17.062 1.679 1.726) 17.231 37.087 ( 9.636 13.982 5.619) 17.887 38.140 ( -9.742 3.416 -5.548) 11.720 39.391 ( -1.832 20.084 -2.647) 20.341 ======================= Grid point 546 (269/294) ======================= q-point: ( 0.58 0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( -5.225 -4.451 2.440) 7.285 3.459 ( -13.350 6.234 -6.201) 15.985 4.104 ( -3.888 16.392 7.599) 18.481 5.036 ( -2.547 -1.553 -0.468) 3.019 5.213 ( 0.141 -2.505 3.784) 4.540 5.854 ( 4.887 22.496 -7.438) 24.192 6.290 ( 12.334 -2.144 6.843) 14.267 6.728 ( 15.234 -13.639 2.044) 20.549 6.837 ( -17.845 4.737 4.924) 19.109 7.737 ( -11.865 -1.996 -4.810) 12.958 8.181 ( -0.090 4.279 -1.732) 4.617 8.668 ( 5.191 4.563 -1.949) 7.182 10.604 ( -4.468 -9.895 2.293) 11.097 11.080 ( 5.210 5.554 -4.331) 8.761 11.539 ( 5.578 -5.219 -2.946) 8.188 11.932 ( -2.300 3.752 -4.295) 6.149 12.261 ( 0.528 2.907 4.219) 5.151 12.586 ( 0.137 -6.438 -2.681) 6.975 18.181 ( -0.670 -0.667 2.730) 2.889 18.514 ( -0.310 -5.805 -2.530) 6.340 18.645 ( -0.554 -1.923 0.665) 2.109 19.014 ( 3.825 1.247 0.585) 4.065 20.985 ( 0.514 -2.535 0.022) 2.586 21.142 ( 1.267 -6.665 0.141) 6.786 27.842 ( -0.499 2.830 0.953) 3.027 27.949 ( -0.708 -0.193 -1.390) 1.572 36.667 ( -10.608 2.832 1.721) 11.114 37.431 ( 11.547 9.981 9.097) 17.768 37.951 ( -11.545 2.644 -3.460) 12.339 39.592 ( 1.576 21.205 -3.238) 21.509 ======================= Grid point 548 (270/294) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( 16.221 6.165 16.326) 23.826 3.331 ( -0.721 -0.010 -6.547) 6.587 4.208 ( -5.635 10.337 10.822) 15.991 4.971 ( -2.175 2.055 -6.948) 7.565 5.251 ( 2.456 -2.812 6.584) 7.569 5.944 ( -6.313 11.266 -9.481) 16.020 6.358 ( -11.129 7.098 8.106) 15.490 6.686 ( -7.400 -0.274 0.097) 7.406 6.899 ( 19.987 -16.843 1.110) 26.161 7.629 ( 2.524 3.171 -0.142) 4.055 8.179 ( -2.642 4.798 -4.652) 7.186 8.684 ( -3.535 0.365 -6.745) 7.624 10.494 ( 1.516 -10.267 2.797) 10.748 11.134 ( 1.813 -2.867 -4.474) 5.615 11.652 ( 9.235 4.300 -5.589) 11.619 11.922 ( -2.371 6.032 -3.447) 7.341 12.267 ( -4.299 -0.623 3.660) 5.680 12.477 ( -2.986 -4.877 -0.548) 5.745 18.182 ( -0.755 -0.404 -0.640) 1.069 18.403 ( -0.625 -6.298 -0.303) 6.336 18.685 ( 1.661 2.176 1.371) 3.062 19.066 ( 0.393 0.473 1.988) 2.081 20.967 ( -0.017 -1.642 -0.215) 1.656 21.090 ( -0.097 -5.590 -0.146) 5.593 27.867 ( -0.133 1.760 0.943) 2.001 27.933 ( -0.024 0.582 -1.386) 1.504 36.588 ( -2.093 1.775 0.836) 2.869 37.736 ( 4.839 2.514 13.523) 14.581 37.806 ( -2.145 4.821 -4.886) 7.192 39.792 ( -0.633 19.525 -2.078) 19.645 ======================= Grid point 549 (271/294) ======================= q-point: (-0.25 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 5.603 0.289 4.370) 7.112 3.563 ( 30.026 5.067 14.928) 33.913 4.219 ( -6.079 3.544 7.266) 10.115 4.925 ( -1.561 1.788 -7.186) 7.568 5.257 ( -0.965 -5.211 2.418) 5.825 5.853 ( -8.114 6.657 -6.060) 12.119 6.216 ( -18.608 9.477 8.246) 22.452 6.592 ( -2.341 6.277 -3.052) 7.362 7.058 ( 18.967 -19.313 -0.397) 27.072 7.798 ( 8.530 3.921 0.904) 9.432 8.172 ( -0.296 5.519 -4.742) 7.282 8.495 ( -10.745 -4.102 -9.744) 15.074 10.480 ( 5.958 -8.597 3.209) 10.941 11.068 ( 0.109 -7.342 -5.394) 9.111 11.727 ( -5.411 0.520 -5.751) 7.913 11.945 ( 1.175 6.976 -2.136) 7.390 12.189 ( -2.625 -0.951 2.498) 3.746 12.426 ( -1.662 0.977 1.335) 2.345 18.134 ( -0.256 -3.579 -1.090) 3.750 18.394 ( 1.461 0.489 -0.533) 1.630 18.729 ( -0.007 1.909 1.609) 2.497 19.064 ( -2.425 0.686 2.789) 3.759 20.951 ( -0.151 -1.101 -0.247) 1.138 21.034 ( -0.677 -3.607 -0.442) 3.697 27.875 ( 0.474 -0.890 0.514) 1.132 27.953 ( 0.695 2.710 -0.826) 2.917 36.638 ( 6.347 0.336 0.132) 6.357 37.684 ( -7.512 3.821 1.926) 8.645 38.007 ( 11.113 -2.290 6.591) 13.122 39.922 ( -4.382 16.612 -0.314) 17.183 ======================= Grid point 641 (272/294) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 294 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( -0.000 0.000 24.859) 24.859 1.996 ( -0.000 0.000 24.859) 24.859 3.270 ( -0.000 0.000 39.575) 39.575 4.578 ( 0.000 -0.000 -11.428) 11.428 4.578 ( 0.000 -0.000 -11.428) 11.428 6.328 ( -0.000 0.000 6.161) 6.161 6.328 ( -0.000 0.000 6.161) 6.161 6.913 ( 0.000 -0.000 -3.358) 3.358 6.913 ( 0.000 -0.000 -3.358) 3.358 7.469 ( 0.000 -0.000 -14.395) 14.395 7.696 ( -0.000 0.000 4.465) 4.465 8.128 ( 0.000 -0.000 -8.460) 8.460 10.760 ( 0.000 -0.000 -2.053) 2.053 10.760 ( 0.000 -0.000 -2.053) 2.053 11.286 ( -0.000 0.000 1.186) 1.186 11.286 ( -0.000 0.000 1.186) 1.186 12.855 ( 0.000 -0.000 -1.829) 1.829 13.247 ( -0.000 0.000 0.826) 0.826 18.599 ( 0.000 -0.000 -0.282) 0.282 18.599 ( 0.000 -0.000 -0.282) 0.282 19.049 ( -0.000 0.000 0.622) 0.622 19.049 ( -0.000 0.000 0.622) 0.622 21.464 ( -0.000 0.000 6.748) 6.748 22.188 ( 0.000 -0.000 -5.608) 5.608 27.895 ( -0.000 0.000 0.939) 0.939 27.965 ( 0.000 -0.000 -0.940) 0.940 36.433 ( 0.000 -0.000 -2.372) 2.372 36.433 ( 0.000 -0.000 -2.372) 2.372 36.963 ( -0.000 0.000 2.619) 2.619 36.963 ( -0.000 0.000 2.619) 2.619 ======================= Grid point 642 (273/294) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 3.710 -5.198 24.152) 24.982 2.408 ( 10.442 10.017 18.858) 23.770 3.371 ( -6.297 -5.562 18.306) 20.142 4.569 ( 11.066 11.347 3.041) 16.139 4.785 ( 13.103 6.948 -13.623) 20.138 6.141 ( -17.648 3.331 6.555) 19.118 6.481 ( 11.420 -11.270 5.800) 17.061 6.790 ( -3.475 -10.773 -6.057) 12.838 6.905 ( -2.022 5.536 -2.353) 6.346 7.390 ( -1.780 0.443 -10.871) 11.025 7.813 ( 5.003 8.843 3.538) 10.758 8.142 ( 6.024 2.869 -5.640) 8.736 10.696 ( 2.349 -4.989 -1.078) 5.619 10.893 ( 5.475 5.049 -6.452) 9.854 11.227 ( -0.243 2.474 5.709) 6.227 11.528 ( 13.462 8.161 -0.760) 15.761 12.728 ( -10.771 -5.891 -1.845) 12.414 13.166 ( -7.228 -4.547 1.249) 8.630 18.564 ( -1.975 -3.729 -0.398) 4.239 18.597 ( -1.109 2.837 -0.207) 3.053 19.021 ( -2.993 -0.220 0.427) 3.031 19.043 ( -0.108 -2.489 0.170) 2.497 21.437 ( -5.172 -2.996 5.261) 7.962 21.977 ( -13.848 -7.986 -0.433) 15.991 27.869 ( -2.494 -1.305 0.633) 2.885 27.948 ( -0.564 -0.573 -0.515) 0.955 36.458 ( -0.271 4.188 -3.223) 5.292 36.609 ( 16.016 9.612 -4.621) 19.242 37.014 ( 9.101 -2.383 3.143) 9.919 37.362 ( 27.047 18.681 -4.549) 33.185 ======================= Grid point 643 (274/294) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 13.444 -1.519 17.113) 21.815 2.741 ( 6.522 6.467 21.552) 23.428 3.288 ( 3.630 -2.019 -4.347) 6.013 4.947 ( 2.399 20.344 -5.898) 21.317 5.026 ( 18.480 1.793 1.705) 18.645 5.867 ( -18.035 -1.222 2.727) 18.280 6.553 ( -8.055 -2.935 -4.958) 9.903 6.638 ( 17.032 -13.026 6.273) 22.341 6.973 ( 4.646 1.635 -1.819) 5.250 7.315 ( -2.011 2.612 -5.295) 6.237 8.006 ( 3.517 10.353 0.076) 10.935 8.308 ( 8.868 6.093 -3.107) 11.199 10.698 ( 0.911 -0.140 -0.018) 0.922 10.951 ( 7.169 -7.006 -4.505) 10.990 11.381 ( 4.891 10.742 4.392) 12.594 11.849 ( 13.106 8.894 0.248) 15.840 12.374 ( -18.543 -10.655 -0.158) 21.386 12.961 ( -10.085 -6.375 1.981) 12.094 18.455 ( -5.368 -3.760 -1.142) 6.652 18.623 ( 0.084 3.286 -0.069) 3.288 18.926 ( -5.674 -3.534 -0.779) 6.730 19.024 ( 0.520 -2.121 0.301) 2.205 21.298 ( -8.183 -4.657 2.744) 9.807 21.664 ( -13.219 -7.709 3.598) 15.720 27.813 ( -2.123 -1.005 -0.241) 2.361 27.938 ( -0.012 -0.385 0.094) 0.397 36.472 ( 0.547 2.599 -3.269) 4.212 37.006 ( 11.940 21.634 -2.665) 24.853 37.234 ( 20.659 -7.615 -0.727) 22.030 38.053 ( 31.913 21.196 -9.240) 39.409 ======================= Grid point 644 (275/294) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 13.991 -0.699 6.295) 15.358 2.963 ( 5.212 0.267 19.270) 19.964 3.535 ( 21.550 11.047 -8.837) 25.778 5.010 ( -6.702 10.743 -6.627) 14.291 5.333 ( 9.761 4.063 7.196) 12.789 5.570 ( -9.342 -7.038 -3.651) 12.253 6.416 ( -7.826 9.417 -7.569) 14.395 6.782 ( 7.186 -12.607 -0.318) 14.515 7.098 ( 11.490 -3.431 4.599) 12.843 7.369 ( 4.791 5.489 1.135) 7.374 8.094 ( -2.846 7.050 -2.940) 8.152 8.484 ( 5.692 6.229 -2.259) 8.735 10.717 ( -1.767 2.893 2.219) 4.051 10.990 ( 10.147 -10.907 -0.897) 14.924 11.576 ( 2.830 8.821 3.132) 9.779 11.959 ( -15.276 -8.330 6.676) 18.636 12.129 ( 8.466 5.664 -4.049) 10.961 12.751 ( -8.907 -4.597 2.748) 10.393 18.316 ( -5.411 -3.161 -1.295) 6.400 18.647 ( -1.417 2.980 0.247) 3.309 18.764 ( -6.490 -5.851 -1.640) 8.890 19.027 ( 1.692 -1.021 -0.310) 2.000 21.133 ( -6.726 -3.749 1.447) 7.835 21.416 ( -10.027 -5.891 2.566) 11.910 27.790 ( 0.231 0.319 -0.638) 0.749 27.936 ( -0.064 -0.262 0.436) 0.513 36.502 ( 1.499 2.814 -2.547) 4.081 37.365 ( 3.992 23.206 2.417) 23.671 37.514 ( 23.991 -11.149 -8.962) 27.932 38.730 ( 28.098 18.555 -4.326) 33.949 ======================= Grid point 645 (276/294) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 12.418 -6.418 -5.796) 15.133 3.185 ( 7.764 3.691 11.217) 14.132 3.971 ( 17.399 11.241 -9.250) 22.686 4.940 ( -5.942 3.654 4.624) 8.369 5.365 ( -3.137 -3.481 -8.249) 9.488 5.609 ( 10.220 7.720 9.194) 15.766 6.361 ( -7.312 12.538 -8.195) 16.668 6.720 ( -1.070 -2.492 -4.455) 5.216 7.157 ( 4.749 -19.862 -0.222) 20.423 7.545 ( 4.512 3.388 6.013) 8.246 8.080 ( -2.016 7.488 -1.519) 7.902 8.607 ( 2.393 5.521 1.424) 6.184 10.670 ( -5.136 -2.988 0.101) 5.943 11.088 ( 8.318 -5.137 4.226) 10.651 11.622 ( -1.664 -4.361 4.820) 6.709 11.816 ( -0.068 3.150 3.591) 4.777 12.250 ( 2.117 4.386 -3.840) 6.202 12.598 ( -7.684 -1.636 3.008) 8.413 18.214 ( -2.739 -1.801 -0.586) 3.330 18.561 ( -9.153 -2.456 1.088) 9.539 18.667 ( 1.456 -1.542 -2.326) 3.148 19.052 ( 1.787 0.121 -1.167) 2.138 21.020 ( -3.706 -2.053 0.682) 4.292 21.227 ( -7.375 -4.232 0.843) 8.545 27.819 ( 2.297 1.351 -0.698) 2.754 27.933 ( -0.492 -0.204 0.849) 1.002 36.547 ( 1.561 2.937 -1.639) 3.708 37.631 ( 2.071 16.693 3.897) 17.266 37.698 ( 15.952 -9.702 -12.780) 22.626 39.323 ( 22.668 14.523 1.247) 26.951 ======================= Grid point 654 (277/294) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -5.968 3.865 22.369) 23.472 2.507 ( 4.719 16.405 10.104) 19.836 3.566 ( -4.076 -3.455 17.173) 17.985 4.371 ( 4.486 0.801 -2.640) 5.266 4.802 ( 0.560 18.966 -6.331) 20.003 6.166 ( 10.265 -15.145 9.398) 20.569 6.489 ( -13.599 -1.355 -1.203) 13.719 6.790 ( -6.146 2.766 -1.668) 6.943 6.945 ( 4.489 3.009 -5.033) 7.385 7.323 ( 1.426 -0.653 -10.713) 10.827 7.802 ( 4.386 3.666 7.864) 9.722 8.078 ( -0.838 3.063 -5.768) 6.585 10.696 ( -6.100 -0.533 1.198) 6.239 10.826 ( 4.177 3.441 -5.521) 7.731 11.388 ( -0.376 12.990 4.581) 13.780 11.427 ( 1.398 8.012 -2.272) 8.444 12.740 ( 0.262 -9.049 -2.425) 9.372 13.188 ( -0.298 -6.011 0.074) 6.019 18.535 ( -0.485 -5.184 0.379) 5.221 18.615 ( 1.098 0.785 -0.487) 1.434 19.012 ( 0.294 -3.473 0.555) 3.529 19.056 ( -0.923 -0.606 -0.057) 1.106 21.463 ( -0.008 -6.555 4.710) 8.072 21.972 ( 0.005 -14.272 -0.985) 14.305 27.872 ( 0.106 -3.118 0.604) 3.178 27.947 ( -0.185 -0.390 -0.525) 0.679 36.380 ( 3.039 -0.685 -0.076) 3.116 36.555 ( -1.070 10.230 -2.049) 10.487 37.094 ( -3.828 8.413 0.480) 9.255 37.366 ( 1.957 37.776 -4.965) 38.152 ======================= Grid point 655 (278/294) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 1.845 12.798 19.274) 23.210 2.826 ( 8.408 14.797 7.295) 18.516 3.329 ( -14.931 -6.288 2.740) 16.431 4.660 ( 19.508 1.604 -4.674) 20.124 5.066 ( 6.799 20.741 -0.097) 21.827 6.112 ( -13.751 -14.105 -4.944) 20.310 6.283 ( 9.985 -12.843 13.062) 20.863 6.714 ( -9.604 12.347 -2.984) 15.924 6.967 ( -0.149 1.229 -1.538) 1.974 7.319 ( 1.580 2.563 -6.334) 7.013 7.986 ( 6.538 4.172 2.996) 8.314 8.178 ( 9.279 6.252 -3.645) 11.768 10.651 ( 0.839 -1.049 3.167) 3.440 10.890 ( 0.042 4.189 -4.011) 5.800 11.453 ( 1.858 10.159 1.944) 10.509 11.717 ( 11.411 12.038 -0.645) 16.599 12.527 ( -11.063 -11.812 -2.762) 16.418 13.045 ( -7.021 -8.579 0.683) 11.107 18.468 ( -1.821 -5.267 -0.243) 5.578 18.632 ( 0.663 1.244 -0.987) 1.721 18.959 ( -1.576 -5.643 0.026) 5.859 19.013 ( -2.626 -1.414 0.915) 3.119 21.362 ( -4.770 -8.281 2.512) 9.881 21.757 ( -7.531 -13.303 1.983) 15.415 27.827 ( -1.470 -2.732 -0.031) 3.103 27.939 ( -0.188 0.031 0.045) 0.196 36.525 ( 5.305 5.694 -3.919) 8.713 36.671 ( 9.658 5.111 -0.765) 10.953 37.235 ( 5.822 14.300 3.974) 15.943 37.869 ( 15.728 36.519 -9.330) 40.842 ======================= Grid point 656 (279/294) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 0.655 22.006 12.832) 25.482 3.080 ( -6.640 -0.990 19.238) 20.375 3.239 ( 19.188 11.310 -10.072) 24.445 4.938 ( 17.927 -0.395 -11.471) 21.286 5.287 ( -0.431 10.943 0.159) 10.953 5.694 ( -15.492 -12.430 -2.586) 20.030 6.418 ( 13.021 -16.216 6.400) 21.760 6.694 ( -8.752 18.499 -2.661) 20.637 6.974 ( 2.061 -3.474 1.426) 4.284 7.404 ( 4.140 10.402 0.400) 11.203 8.126 ( 3.951 3.055 -0.544) 5.024 8.378 ( 9.031 4.683 -5.074) 11.368 10.729 ( 6.990 -1.250 4.249) 8.275 10.865 ( -5.382 3.875 -1.385) 6.775 11.638 ( 4.544 9.992 2.438) 11.244 11.999 ( 9.883 7.283 -3.937) 12.893 12.150 ( -15.334 -12.652 1.953) 19.976 12.838 ( -6.947 -8.350 2.329) 11.109 18.363 ( -4.436 -3.580 -1.705) 5.950 18.642 ( 0.342 -0.742 -2.420) 2.554 18.857 ( -5.596 -2.631 1.430) 6.346 18.968 ( 0.718 -4.262 1.167) 4.477 21.198 ( -5.815 -6.705 1.000) 8.931 21.512 ( -8.421 -10.058 2.028) 13.274 27.789 ( -0.505 -0.665 -0.512) 0.979 27.941 ( -0.019 0.289 0.469) 0.551 36.581 ( -3.932 11.740 -3.193) 12.786 36.962 ( 22.838 -5.331 -5.741) 24.144 37.543 ( 5.301 19.789 5.682) 21.260 38.480 ( 22.606 27.125 -5.740) 35.773 ======================= Grid point 657 (280/294) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -9.258 10.311 3.896) 14.394 3.210 ( 6.046 11.809 11.114) 17.307 3.719 ( 21.281 13.695 -3.534) 25.552 5.085 ( 0.263 3.934 -9.083) 9.902 5.347 ( -5.956 -6.796 0.437) 9.047 5.441 ( 12.025 0.439 1.164) 12.089 6.402 ( 3.491 -14.595 -3.443) 15.397 6.749 ( -4.591 17.222 -2.792) 18.041 6.941 ( 0.515 -11.037 -1.000) 11.094 7.636 ( 3.128 13.270 7.883) 15.748 8.151 ( -1.771 2.245 -2.973) 4.124 8.536 ( 8.867 1.492 -3.132) 9.522 10.770 ( -7.018 0.432 -1.474) 7.184 10.900 ( 9.525 0.119 5.877) 11.193 11.718 ( -9.679 -1.889 1.127) 9.926 11.850 ( -0.268 -0.915 2.833) 2.989 12.194 ( 6.066 2.149 -2.185) 6.796 12.691 ( -4.374 -5.544 3.807) 8.022 18.248 ( -4.189 -1.496 -2.566) 5.135 18.595 ( -0.517 -4.930 -1.971) 5.335 18.737 ( -8.352 0.975 2.143) 8.677 18.979 ( 4.153 -3.637 0.468) 5.540 21.062 ( -4.082 -3.923 0.295) 5.669 21.301 ( -7.045 -6.982 0.645) 9.939 27.796 ( 1.350 1.193 -0.679) 1.925 27.946 ( -0.240 0.411 0.865) 0.987 36.619 ( -3.197 11.413 -2.454) 12.104 37.238 ( 20.226 -6.633 -8.367) 22.871 37.812 ( 0.628 17.782 4.215) 18.285 39.085 ( 23.071 17.252 0.844) 28.820 ======================= Grid point 667 (281/294) ======================= q-point: ( 0.42 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -4.573 15.523 19.580) 25.402 2.665 ( -6.638 11.408 -1.098) 13.244 3.486 ( 12.208 1.106 4.123) 12.933 4.542 ( -15.003 0.210 -1.195) 15.052 5.009 ( -7.850 13.516 2.525) 15.833 5.891 ( 8.656 -16.048 8.004) 19.913 6.660 ( -7.529 -2.548 1.753) 8.140 6.722 ( 9.225 1.143 -13.209) 16.151 6.993 ( -2.241 13.129 -2.538) 13.559 7.249 ( -0.432 -1.883 -3.348) 3.866 7.880 ( -3.300 3.994 8.551) 9.998 8.182 ( -8.137 3.920 -2.577) 9.393 10.725 ( 3.928 1.310 -1.609) 4.442 10.892 ( -11.128 2.582 -4.538) 12.292 11.430 ( 4.385 13.252 3.675) 14.434 11.691 ( -12.509 8.691 1.149) 15.275 12.519 ( 10.950 -12.191 -2.308) 16.548 13.057 ( 6.925 -7.545 -0.097) 10.242 18.472 ( 1.440 -6.608 -0.374) 6.774 18.597 ( 0.866 0.167 1.105) 1.414 18.964 ( 2.069 -3.127 -0.384) 3.770 19.040 ( 0.921 -1.537 -0.664) 1.910 21.361 ( 4.819 -8.363 2.542) 9.981 21.758 ( 7.479 -13.172 1.935) 15.270 27.824 ( 1.536 -2.890 0.155) 3.277 27.945 ( 0.078 0.297 -0.294) 0.425 36.455 ( -5.828 3.010 0.452) 6.575 36.666 ( -5.773 5.078 -0.255) 7.693 37.340 ( -10.598 16.840 -2.108) 20.009 37.835 ( -14.221 36.499 -7.907) 39.961 ======================= Grid point 668 (282/294) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -3.067 9.661 8.124) 12.990 2.878 ( 4.612 20.119 1.292) 20.681 3.480 ( -5.477 -7.420 -8.379) 12.460 4.552 ( -0.387 11.019 9.336) 14.447 5.130 ( 5.837 15.478 1.578) 16.617 5.899 ( 6.813 -19.277 4.279) 20.888 6.346 ( -14.770 -6.316 1.116) 16.102 6.877 ( 9.133 -3.924 -4.715) 11.002 7.026 ( -6.718 17.650 -6.124) 19.854 7.255 ( 2.772 2.431 -2.274) 4.332 7.990 ( -0.303 4.684 5.430) 7.177 8.144 ( 1.306 7.094 3.455) 7.998 10.724 ( -6.775 0.895 1.412) 6.978 10.865 ( 7.344 5.908 -2.644) 9.789 11.544 ( -3.857 7.568 -3.994) 9.387 11.741 ( 3.172 13.813 6.009) 15.394 12.464 ( 0.412 -14.066 -5.668) 15.170 13.023 ( -0.831 -9.210 -2.109) 9.485 18.417 ( 0.549 -7.000 0.958) 7.086 18.624 ( 0.908 0.468 0.110) 1.027 18.918 ( -1.323 -6.353 -0.271) 6.495 19.034 ( -0.083 -1.123 -0.190) 1.142 21.320 ( 0.027 -10.034 1.496) 10.145 21.688 ( -0.063 -14.568 1.790) 14.677 27.809 ( 0.127 -2.803 0.071) 2.806 27.944 ( -0.218 0.272 -0.264) 0.437 36.401 ( 1.522 1.886 1.206) 2.708 36.843 ( 1.296 17.471 4.231) 18.023 37.285 ( -3.197 11.102 -1.436) 11.642 38.096 ( 0.516 41.501 -10.442) 42.797 ======================= Grid point 669 (283/294) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 16.026 14.051 5.967) 22.133 3.122 ( -1.603 20.702 -9.610) 22.880 3.298 ( -3.541 -0.549 8.985) 9.673 4.663 ( 3.924 3.801 -1.477) 5.659 5.377 ( 1.670 9.228 -2.433) 9.688 5.756 ( -3.504 -10.900 -6.616) 13.223 6.164 ( -0.106 -12.855 12.859) 18.183 6.889 ( 0.893 -6.259 1.544) 6.508 7.091 ( -8.213 23.566 -3.869) 25.255 7.378 ( 8.575 6.879 -1.966) 11.168 8.038 ( 5.240 -0.628 -0.520) 5.303 8.309 ( 3.163 6.861 3.038) 8.143 10.685 ( -0.077 1.241 1.789) 2.178 11.006 ( -0.779 7.918 1.216) 8.048 11.608 ( 6.418 6.870 -2.609) 9.757 11.952 ( 4.686 8.064 4.029) 10.160 12.216 ( -8.655 -13.485 -7.319) 17.616 12.853 ( -5.294 -10.356 -0.788) 11.658 18.361 ( -0.643 -5.058 -0.437) 5.118 18.628 ( -0.915 -0.305 -1.571) 1.843 18.831 ( 0.739 -7.606 1.511) 7.790 18.997 ( -3.571 -0.887 0.932) 3.795 21.202 ( -2.945 -8.483 0.463) 8.992 21.518 ( -4.312 -12.510 1.266) 13.293 27.786 ( -0.282 -0.873 -0.185) 0.936 27.944 ( 0.111 0.264 0.049) 0.291 36.554 ( 12.868 1.842 -1.881) 13.135 36.908 ( -11.414 16.063 1.047) 19.733 37.564 ( 14.851 13.152 6.551) 20.891 38.496 ( 7.357 35.319 -9.052) 37.196 ======================= Grid point 670 (284/294) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.036 ( -6.970 2.020 -3.202) 7.932 3.305 ( 10.884 28.845 9.377) 32.224 3.553 ( 12.483 14.974 7.065) 20.735 4.808 ( 14.787 0.809 -9.573) 17.634 5.338 ( -1.732 -4.134 -5.678) 7.233 5.543 ( -13.100 2.095 -1.577) 13.360 6.125 ( 5.409 -19.035 6.324) 20.774 6.817 ( -1.608 -9.302 1.310) 9.530 7.139 ( -11.121 23.583 -3.440) 26.299 7.667 ( 12.248 11.307 4.066) 17.157 8.137 ( 5.812 -1.859 -1.038) 6.189 8.383 ( 2.665 0.608 -2.840) 3.941 10.748 ( 4.379 1.135 0.800) 4.594 11.006 ( -7.742 6.801 3.469) 10.873 11.812 ( 7.862 5.658 0.149) 9.688 11.868 ( -12.510 -10.289 -5.567) 17.128 12.094 ( 4.959 1.261 1.308) 5.281 12.683 ( -2.574 -9.212 1.448) 9.674 18.287 ( -2.936 -1.936 -2.262) 4.181 18.556 ( -2.238 -4.514 -2.139) 5.473 18.846 ( 4.719 -3.203 3.092) 6.487 18.903 ( -6.511 -1.593 1.408) 6.850 21.079 ( -3.091 -5.368 -0.161) 6.197 21.329 ( -5.188 -9.173 0.241) 10.541 27.789 ( 0.635 1.311 -0.371) 1.503 27.953 ( 0.347 0.232 0.459) 0.620 36.805 ( 11.406 6.433 -4.992) 14.014 36.887 ( -3.331 8.789 -0.633) 9.421 37.944 ( 7.622 13.072 7.892) 17.066 38.945 ( 14.226 23.667 -2.579) 27.734 ======================= Grid point 680 (285/294) ======================= q-point: ( 0.42 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 2.016 22.498 8.491) 24.131 3.006 ( -16.211 9.140 6.159) 19.602 3.401 ( -0.173 9.224 -4.372) 10.209 4.701 ( -9.779 -4.688 -6.084) 12.435 5.289 ( -7.276 3.641 8.397) 11.692 5.661 ( 5.998 -9.346 5.077) 12.211 6.356 ( 12.633 -6.143 -11.006) 17.846 6.950 ( 6.157 -2.186 -6.020) 8.885 7.024 ( -19.598 7.644 4.431) 21.498 7.364 ( -3.309 13.301 -0.054) 13.706 8.000 ( -0.740 2.615 3.799) 4.671 8.346 ( -7.946 1.750 -1.405) 8.257 10.693 ( 0.104 0.857 0.277) 0.907 11.062 ( -7.521 3.525 -5.813) 10.138 11.544 ( -0.186 11.622 5.291) 12.771 11.968 ( -10.260 1.949 3.862) 11.134 12.161 ( 14.335 -9.714 -1.701) 17.400 12.841 ( 8.529 -7.932 0.717) 11.669 18.362 ( 3.825 -4.682 -0.580) 6.074 18.598 ( -0.647 -2.432 2.185) 3.333 18.862 ( 6.364 -1.211 -2.326) 6.883 19.011 ( -0.848 -2.774 -0.841) 3.020 21.196 ( 5.832 -6.820 1.176) 9.051 21.514 ( 8.476 -9.913 1.781) 13.163 27.785 ( 0.423 -0.862 -0.116) 0.967 27.946 ( 0.212 0.519 -0.119) 0.573 36.538 ( 2.521 9.102 0.058) 9.445 36.914 ( -20.825 -3.882 0.467) 21.189 37.671 ( -5.774 22.202 -6.641) 23.882 38.439 ( -22.838 25.733 -2.488) 34.496 ======================= Grid point 681 (286/294) ======================= q-point: ( 0.50 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( -18.004 5.740 -2.499) 19.062 3.060 ( 4.190 21.231 5.709) 22.381 3.400 ( -3.294 1.602 -16.053) 16.466 4.743 ( 4.527 12.839 12.123) 18.229 5.252 ( -4.924 6.845 4.824) 9.715 5.643 ( 4.491 -16.241 4.127) 17.349 6.531 ( 13.340 -5.699 -8.645) 16.887 6.660 ( -17.621 1.160 2.173) 17.792 7.025 ( 6.377 -1.323 -5.179) 8.321 7.425 ( -7.026 15.752 -1.982) 17.361 8.096 ( -1.552 5.057 4.099) 6.692 8.281 ( -3.156 7.607 6.551) 10.523 10.766 ( 5.983 3.526 0.023) 6.945 10.878 ( -9.283 0.398 -3.807) 10.042 11.680 ( -3.140 9.909 -2.559) 10.705 11.888 ( -3.293 3.851 8.986) 10.316 12.225 ( 7.198 -10.803 -6.476) 14.508 12.879 ( 5.209 -8.477 -2.764) 10.326 18.339 ( 0.757 -6.763 1.310) 6.930 18.607 ( 1.727 -0.878 1.943) 2.744 18.882 ( -1.597 -4.694 -1.771) 5.265 18.986 ( 3.428 -1.801 -1.080) 4.020 21.201 ( 2.992 -8.509 0.632) 9.042 21.520 ( 4.261 -12.396 1.007) 13.147 27.783 ( 0.355 -0.994 0.206) 1.076 27.949 ( -0.208 0.425 -0.541) 0.719 36.535 ( -11.755 2.821 2.677) 12.382 36.881 ( 11.186 13.752 4.406) 18.267 37.617 ( -16.691 14.125 -3.496) 22.143 38.486 ( -6.327 35.601 -6.514) 36.741 ======================= Grid point 682 (287/294) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( 4.307 5.227 -4.967) 8.399 3.229 ( 2.924 -1.980 -12.547) 13.035 3.412 ( -1.412 27.047 4.452) 27.447 4.867 ( -10.435 7.311 10.567) 16.553 5.411 ( 4.569 11.712 -1.956) 12.723 5.551 ( 5.156 -15.076 -0.177) 15.934 6.306 ( -15.159 -2.070 5.762) 16.348 6.751 ( 9.017 -5.537 2.009) 10.770 7.175 ( 13.229 4.529 -4.494) 14.687 7.427 ( -5.773 14.122 -5.737) 16.300 8.040 ( -6.093 -1.111 3.446) 7.087 8.415 ( -0.735 10.620 6.760) 12.610 10.736 ( -3.941 -1.005 0.261) 4.075 10.985 ( 10.491 7.252 -1.108) 12.801 11.638 ( -4.307 5.773 -4.007) 8.242 11.958 ( 2.597 -5.294 6.042) 8.443 12.159 ( -1.491 -1.168 -7.652) 7.883 12.803 ( -1.536 -9.221 -3.926) 10.139 18.296 ( 1.073 -5.987 1.182) 6.196 18.639 ( 0.566 0.413 1.131) 1.330 18.758 ( -2.151 -9.000 -0.797) 9.287 19.023 ( 0.790 0.322 0.179) 0.872 21.144 ( -0.004 -7.866 -0.009) 7.866 21.434 ( -0.067 -12.066 0.294) 12.070 27.783 ( 0.075 0.167 0.277) 0.332 27.944 ( -0.128 0.097 -0.562) 0.585 36.468 ( -0.300 3.154 1.667) 3.580 37.279 ( 1.608 17.244 10.234) 20.116 37.486 ( -0.916 11.072 -2.746) 11.444 38.757 ( -0.341 34.749 -7.101) 35.469 ======================= Grid point 684 (288/294) ======================= q-point: (-0.33 -0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 16.892 5.466 0.324) 17.757 3.297 ( 13.156 8.618 -7.676) 17.501 3.706 ( 1.167 23.943 7.876) 25.232 4.790 ( -7.519 6.356 2.231) 10.095 5.336 ( -5.332 -3.418 -3.286) 7.135 5.622 ( 2.748 0.689 -8.184) 8.660 6.086 ( -11.823 -6.575 10.958) 17.410 6.764 ( -0.994 -8.430 3.509) 9.185 7.474 ( 5.732 16.028 -6.845) 18.347 7.512 ( 9.484 7.163 2.060) 12.062 7.965 ( 1.040 -4.799 0.760) 4.969 8.465 ( -5.428 5.347 1.010) 7.686 10.712 ( 1.392 -0.333 0.189) 1.443 11.166 ( 0.990 4.937 1.848) 5.364 11.698 ( 7.694 6.054 -4.548) 10.795 11.847 ( -3.830 -11.684 -6.311) 13.821 12.135 ( -3.129 4.457 2.452) 5.973 12.641 ( -3.521 -9.335 -1.506) 10.090 18.265 ( 0.714 -3.877 -0.770) 4.017 18.568 ( -4.761 -4.382 -2.154) 6.820 18.730 ( 4.605 -4.322 3.560) 7.250 19.008 ( -3.708 0.799 1.412) 4.047 21.061 ( -1.414 -5.495 -0.522) 5.698 21.301 ( -2.489 -9.689 -0.319) 10.009 27.796 ( 0.281 1.876 0.161) 1.903 27.945 ( 0.529 -0.235 -0.242) 0.628 36.581 ( 9.181 2.076 -0.428) 9.422 37.243 ( -14.606 16.109 -0.090) 21.745 37.870 ( 17.243 8.458 9.950) 21.629 39.059 ( 2.222 28.591 -4.077) 28.966 ======================= Grid point 805 (289/294) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( -0.000 0.000 15.213) 15.213 2.315 ( -0.000 0.000 15.213) 15.213 3.773 ( -0.000 0.000 23.644) 23.644 4.412 ( 0.000 -0.000 -8.762) 8.762 4.412 ( 0.000 -0.000 -8.762) 8.762 6.430 ( -0.000 0.000 6.156) 6.156 6.430 ( -0.000 0.000 6.156) 6.156 6.850 ( 0.000 -0.000 -4.201) 4.201 6.850 ( 0.000 -0.000 -4.201) 4.201 7.248 ( 0.000 -0.000 -11.923) 11.923 7.783 ( -0.000 0.000 6.122) 6.122 8.007 ( 0.000 -0.000 -7.166) 7.166 10.736 ( 0.000 -0.000 -1.090) 1.090 10.736 ( 0.000 -0.000 -1.090) 1.090 11.300 ( -0.000 0.000 0.606) 0.606 11.300 ( -0.000 0.000 0.606) 0.606 12.832 ( 0.000 -0.000 -1.017) 1.017 13.257 ( -0.000 0.000 0.414) 0.414 18.596 ( 0.000 -0.000 -0.155) 0.155 18.596 ( 0.000 -0.000 -0.155) 0.155 19.057 ( -0.000 0.000 0.351) 0.351 19.057 ( -0.000 0.000 0.351) 0.351 21.560 ( -0.000 0.000 5.056) 5.056 22.106 ( 0.000 -0.000 -4.398) 4.398 27.910 ( -0.000 0.000 0.951) 0.951 27.950 ( 0.000 -0.000 -0.952) 0.952 36.405 ( 0.000 -0.000 -1.226) 1.226 36.405 ( 0.000 -0.000 -1.226) 1.226 36.994 ( -0.000 0.000 1.368) 1.368 36.994 ( -0.000 0.000 1.368) 1.368 ======================= Grid point 806 (290/294) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 3.049 -4.666 17.360) 18.233 2.575 ( 8.532 11.523 1.941) 14.469 3.580 ( -15.275 -13.095 9.816) 22.387 4.558 ( 7.157 13.393 -12.286) 19.534 4.667 ( 22.526 7.814 5.649) 24.503 6.249 ( -17.504 -0.810 6.388) 18.651 6.529 ( 7.752 -7.687 -2.036) 11.105 6.718 ( -4.352 -8.052 -0.096) 9.154 6.867 ( 0.809 5.490 -2.001) 5.899 7.246 ( 1.672 1.982 -6.525) 7.021 7.887 ( 3.165 5.613 5.461) 8.446 8.046 ( 8.274 3.254 -6.616) 11.082 10.698 ( 0.475 -2.077 1.262) 2.476 10.806 ( 4.006 2.905 -4.593) 6.752 11.311 ( 2.518 2.878 4.958) 6.261 11.503 ( 13.595 7.623 -2.400) 15.770 12.709 ( -10.367 -5.851 -0.518) 11.915 13.180 ( -6.622 -3.969 0.654) 7.748 18.555 ( -3.281 -2.770 -0.713) 4.353 18.599 ( 0.128 1.281 0.346) 1.333 19.025 ( -3.445 -1.056 -0.015) 3.603 19.047 ( -0.305 -1.455 0.347) 1.526 21.503 ( -6.536 -3.779 2.798) 8.052 21.961 ( -10.017 -5.779 -1.071) 11.614 27.878 ( -2.950 -1.630 0.356) 3.389 27.941 ( -0.132 -0.194 -0.291) 0.374 36.416 ( 0.004 1.792 -2.212) 2.847 36.553 ( 14.118 7.741 -2.373) 16.275 37.059 ( 6.960 1.354 2.486) 7.514 37.322 ( 24.052 15.226 -1.091) 28.487 ======================= Grid point 807 (291/294) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 6.828 -0.954 10.900) 12.897 2.914 ( 16.509 15.171 -0.688) 22.432 3.312 ( -7.147 -10.424 9.799) 15.992 4.742 ( 6.334 13.151 -14.200) 20.365 5.118 ( 16.886 5.174 3.987) 18.106 5.913 ( -17.893 -8.364 2.062) 19.858 6.420 ( -7.739 1.280 -7.985) 11.193 6.783 ( 11.504 -10.782 8.494) 17.909 6.956 ( 4.867 7.076 1.076) 8.655 7.258 ( 1.862 2.811 -2.058) 3.950 8.013 ( 1.884 6.296 0.483) 6.590 8.234 ( 10.403 5.067 -6.209) 13.132 10.716 ( -0.457 3.525 1.778) 3.974 10.879 ( 8.082 -4.224 -3.803) 9.881 11.465 ( 4.938 7.408 5.668) 10.554 11.821 ( 14.443 7.577 -3.769) 16.740 12.395 ( -16.318 -9.386 2.975) 19.058 12.992 ( -9.555 -5.395 1.955) 11.145 18.435 ( -5.731 -3.724 -1.286) 6.955 18.624 ( 0.800 1.232 0.109) 1.473 18.918 ( -6.386 -2.959 -0.261) 7.043 19.029 ( -0.249 -1.306 0.365) 1.379 21.326 ( -8.854 -5.095 0.753) 10.243 21.696 ( -12.258 -7.085 0.679) 14.175 27.811 ( -2.414 -1.360 -0.123) 2.774 27.940 ( 0.101 -0.006 0.181) 0.208 36.428 ( 1.352 1.399 -2.335) 3.039 36.927 ( 17.752 12.614 -6.178) 22.637 37.253 ( 11.042 2.571 2.307) 11.569 38.001 ( 32.395 19.578 1.758) 37.893 ======================= Grid point 819 (292/294) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( -5.223 2.481 10.757) 12.213 2.555 ( 5.470 11.078 -2.010) 12.518 3.680 ( -2.202 -15.364 -1.447) 15.588 4.401 ( 1.614 7.735 6.493) 10.227 4.737 ( 0.430 23.840 -3.056) 24.038 6.288 ( 6.006 -16.277 3.751) 17.751 6.472 ( -7.387 -3.535 0.974) 8.247 6.762 ( -3.645 1.695 -2.715) 4.851 6.871 ( 3.673 3.304 -3.254) 5.916 7.211 ( 0.486 2.449 -2.589) 3.597 7.922 ( 2.072 4.516 6.343) 8.058 7.990 ( -1.349 7.109 -4.629) 8.590 10.718 ( -4.146 -0.228 0.377) 4.169 10.765 ( 3.893 3.371 -0.980) 5.242 11.379 ( -0.717 5.988 -3.791) 7.123 11.455 ( 0.777 14.621 3.772) 15.119 12.713 ( 0.073 -10.834 -1.019) 10.882 13.187 ( -0.087 -6.953 -0.235) 6.957 18.543 ( -0.177 -4.766 0.683) 4.818 18.606 ( 0.336 0.875 -0.574) 1.099 19.021 ( 0.084 -3.712 0.483) 3.744 19.053 ( -0.245 -0.794 -0.353) 0.902 21.514 ( -0.003 -7.871 1.474) 8.008 21.956 ( 0.001 -10.900 -0.593) 10.916 27.879 ( 0.037 -3.517 0.222) 3.524 27.940 ( -0.057 -0.029 -0.212) 0.221 36.389 ( 0.911 0.076 1.165) 1.481 36.537 ( -0.473 12.985 -0.203) 12.996 37.088 ( -0.877 7.515 -1.172) 7.656 37.322 ( 0.465 30.238 -1.128) 30.263 ======================= Grid point 820 (293/294) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( 3.461 10.189 13.279) 17.092 2.734 ( 9.076 12.192 -14.960) 21.326 3.450 ( -7.010 -9.487 8.164) 14.346 4.566 ( 7.782 5.487 -4.981) 10.746 5.060 ( 7.681 19.057 -2.109) 20.654 6.014 ( -10.419 -16.554 -7.387) 20.909 6.502 ( 7.397 -10.282 14.555) 19.294 6.681 ( -9.234 10.556 -1.315) 14.087 6.960 ( 3.751 3.229 0.930) 5.036 7.246 ( 2.005 3.376 -2.675) 4.751 7.988 ( 4.772 3.115 -4.088) 7.014 8.147 ( 4.394 10.064 0.783) 11.009 10.697 ( 2.256 -1.762 2.406) 3.739 10.853 ( -1.168 7.693 -0.070) 7.781 11.465 ( 6.987 6.210 -0.680) 9.373 11.705 ( 6.995 14.723 -0.778) 16.319 12.503 ( -8.437 -14.465 -0.277) 16.747 13.053 ( -5.133 -9.259 0.409) 10.594 18.468 ( -3.306 -5.222 0.152) 6.183 18.615 ( 0.444 0.582 -1.144) 1.358 18.960 ( -1.854 -4.714 0.114) 5.067 19.028 ( -1.615 -1.546 0.893) 2.408 21.382 ( -5.141 -8.905 -0.016) 10.282 21.772 ( -6.951 -12.058 0.030) 13.918 27.826 ( -1.720 -2.948 -0.103) 3.414 27.941 ( 0.107 0.140 0.184) 0.254 36.476 ( 2.961 5.738 -2.276) 6.846 36.664 ( 4.884 7.544 -0.098) 8.988 37.294 ( 8.597 15.681 3.540) 18.230 37.788 ( 18.249 31.139 -1.283) 36.116 ======================= Grid point 976 (294/294) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 3.34e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -0.000 0.000 0.000) 0.000 2.440 ( -0.000 0.000 0.000) 0.000 3.965 ( -0.000 0.000 0.000) 0.000 4.338 ( -0.000 0.000 0.000) 0.000 4.338 ( -0.000 0.000 0.000) 0.000 6.487 ( -0.000 0.000 0.000) 0.000 6.487 ( -0.000 0.000 0.000) 0.000 6.810 ( -0.000 0.000 0.000) 0.000 6.810 ( -0.000 0.000 0.000) 0.000 7.147 ( -0.000 0.000 0.000) 0.000 7.861 ( 0.000 -0.000 -0.000) 0.000 7.921 ( -0.000 0.000 0.000) 0.000 10.727 ( -0.000 0.000 0.000) 0.000 10.727 ( -0.000 0.000 0.000) 0.000 11.304 ( -0.000 0.000 0.000) 0.000 11.304 ( -0.000 0.000 0.000) 0.000 12.824 ( -0.000 0.000 0.000) 0.000 13.260 ( -0.000 0.000 0.000) 0.000 18.595 ( -0.000 0.000 0.000) 0.000 18.595 ( -0.000 0.000 0.000) 0.000 19.060 ( -0.000 0.000 0.000) 0.000 19.060 ( -0.000 0.000 0.000) 0.000 21.603 ( -0.000 0.000 0.000) 0.000 22.068 ( -0.000 0.000 0.000) 0.000 27.920 ( -0.000 0.000 0.000) 0.000 27.940 ( -0.000 0.000 0.000) 0.000 36.395 ( -0.000 0.000 0.000) 0.000 36.395 ( -0.000 0.000 0.000) 0.000 37.005 ( -0.000 0.000 0.000) 0.000 37.005 ( -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 3/51840 10.0 1053.377 1053.377 1330.274 0.000 -0.000 0.000 3/51840 20.0 747.109 747.109 676.840 0.000 -0.000 0.000 3/51840 30.0 414.276 414.276 350.474 0.000 -0.000 0.000 3/51840 40.0 228.876 228.876 183.120 0.000 -0.000 0.000 3/51840 50.0 141.828 141.828 107.692 0.000 -0.000 0.000 3/51840 60.0 98.605 98.605 71.417 0.000 -0.000 0.000 3/51840 70.0 74.259 74.259 51.801 0.000 -0.000 0.000 3/51840 80.0 59.013 59.013 40.015 0.000 -0.000 0.000 3/51840 90.0 48.699 48.699 32.329 0.000 -0.000 0.000 3/51840 100.0 41.318 41.318 26.996 0.000 -0.000 0.000 3/51840 110.0 35.808 35.808 23.114 0.000 -0.000 0.000 3/51840 120.0 31.559 31.559 20.181 0.000 -0.000 0.000 3/51840 130.0 28.194 28.194 17.896 0.000 -0.000 0.000 3/51840 140.0 25.470 25.470 16.071 0.000 -0.000 0.000 3/51840 150.0 23.224 23.224 14.584 0.000 -0.000 0.000 3/51840 160.0 21.343 21.343 13.350 0.000 -0.000 0.000 3/51840 170.0 19.747 19.747 12.311 0.000 -0.000 0.000 3/51840 180.0 18.377 18.377 11.425 0.000 -0.000 0.000 3/51840 190.0 17.188 17.188 10.661 0.000 -0.000 0.000 3/51840 200.0 16.147 16.147 9.996 0.000 -0.000 0.000 3/51840 210.0 15.228 15.228 9.411 0.000 -0.000 0.000 3/51840 220.0 14.412 14.412 8.894 0.000 -0.000 0.000 3/51840 230.0 13.682 13.682 8.433 0.000 -0.000 0.000 3/51840 240.0 13.024 13.024 8.019 0.000 -0.000 0.000 3/51840 250.0 12.430 12.430 7.646 0.000 -0.000 0.000 3/51840 260.0 11.890 11.890 7.307 0.000 -0.000 0.000 3/51840 270.0 11.396 11.396 6.999 0.000 -0.000 0.000 3/51840 280.0 10.944 10.944 6.718 0.000 -0.000 0.000 3/51840 290.0 10.528 10.528 6.459 0.000 -0.000 0.000 3/51840 300.0 10.144 10.144 6.221 0.000 -0.000 0.000 3/51840 310.0 9.788 9.788 6.001 0.000 -0.000 0.000 3/51840 320.0 9.458 9.458 5.797 0.000 -0.000 0.000 3/51840 330.0 9.150 9.150 5.608 0.000 -0.000 0.000 3/51840 340.0 8.863 8.863 5.431 0.000 -0.000 0.000 3/51840 350.0 8.594 8.594 5.266 0.000 -0.000 0.000 3/51840 360.0 8.342 8.342 5.111 0.000 -0.000 0.000 3/51840 370.0 8.105 8.105 4.966 0.000 -0.000 0.000 3/51840 380.0 7.882 7.882 4.829 0.000 -0.000 0.000 3/51840 390.0 7.672 7.672 4.701 0.000 -0.000 0.000 3/51840 400.0 7.473 7.473 4.579 0.000 -0.000 0.000 3/51840 410.0 7.284 7.284 4.464 0.000 -0.000 0.000 3/51840 420.0 7.106 7.106 4.355 0.000 -0.000 0.000 3/51840 430.0 6.936 6.936 4.252 0.000 -0.000 0.000 3/51840 440.0 6.775 6.775 4.154 0.000 -0.000 0.000 3/51840 450.0 6.622 6.622 4.061 0.000 -0.000 0.000 3/51840 460.0 6.475 6.475 3.972 0.000 -0.000 0.000 3/51840 470.0 6.336 6.336 3.887 0.000 -0.000 0.000 3/51840 480.0 6.202 6.202 3.806 0.000 -0.000 0.000 3/51840 490.0 6.074 6.074 3.729 0.000 -0.000 0.000 3/51840 500.0 5.952 5.952 3.655 0.000 -0.000 0.000 3/51840 510.0 5.835 5.835 3.584 0.000 -0.000 0.000 3/51840 520.0 5.723 5.723 3.515 0.000 -0.000 0.000 3/51840 530.0 5.615 5.615 3.450 0.000 -0.000 0.000 3/51840 540.0 5.511 5.511 3.387 0.000 -0.000 0.000 3/51840 550.0 5.411 5.411 3.327 0.000 -0.000 0.000 3/51840 560.0 5.315 5.315 3.268 0.000 -0.000 0.000 3/51840 570.0 5.222 5.222 3.212 0.000 -0.000 0.000 3/51840 580.0 5.133 5.133 3.158 0.000 -0.000 0.000 3/51840 590.0 5.047 5.047 3.106 0.000 -0.000 0.000 3/51840 600.0 4.964 4.964 3.056 0.000 -0.000 0.000 3/51840 610.0 4.883 4.883 3.007 0.000 -0.000 0.000 3/51840 620.0 4.806 4.806 2.960 0.000 -0.000 0.000 3/51840 630.0 4.731 4.731 2.914 0.000 -0.000 0.000 3/51840 640.0 4.658 4.658 2.870 0.000 -0.000 0.000 3/51840 650.0 4.587 4.587 2.828 0.000 -0.000 0.000 3/51840 660.0 4.519 4.519 2.786 0.000 -0.000 0.000 3/51840 670.0 4.453 4.453 2.746 0.000 -0.000 0.000 3/51840 680.0 4.389 4.389 2.707 0.000 -0.000 0.000 3/51840 690.0 4.326 4.326 2.669 0.000 -0.000 0.000 3/51840 700.0 4.266 4.266 2.632 0.000 -0.000 0.000 3/51840 710.0 4.207 4.207 2.597 0.000 -0.000 0.000 3/51840 720.0 4.150 4.150 2.562 0.000 -0.000 0.000 3/51840 730.0 4.095 4.095 2.528 0.000 -0.000 0.000 3/51840 740.0 4.041 4.041 2.495 0.000 -0.000 0.000 3/51840 750.0 3.988 3.988 2.463 0.000 -0.000 0.000 3/51840 760.0 3.937 3.937 2.432 0.000 -0.000 0.000 3/51840 770.0 3.887 3.887 2.402 0.000 -0.000 0.000 3/51840 780.0 3.839 3.839 2.372 0.000 -0.000 0.000 3/51840 790.0 3.791 3.791 2.344 0.000 -0.000 0.000 3/51840 800.0 3.745 3.745 2.316 0.000 -0.000 0.000 3/51840 810.0 3.700 3.700 2.288 0.000 -0.000 0.000 3/51840 820.0 3.656 3.656 2.261 0.000 -0.000 0.000 3/51840 830.0 3.614 3.614 2.235 0.000 -0.000 0.000 3/51840 840.0 3.572 3.572 2.210 0.000 -0.000 0.000 3/51840 850.0 3.531 3.531 2.185 0.000 -0.000 0.000 3/51840 860.0 3.491 3.491 2.161 0.000 -0.000 0.000 3/51840 870.0 3.452 3.452 2.137 0.000 -0.000 0.000 3/51840 880.0 3.414 3.414 2.113 0.000 -0.000 0.000 3/51840 890.0 3.377 3.377 2.091 0.000 -0.000 0.000 3/51840 900.0 3.341 3.341 2.069 0.000 -0.000 0.000 3/51840 910.0 3.305 3.305 2.047 0.000 -0.000 0.000 3/51840 920.0 3.270 3.270 2.025 0.000 -0.000 0.000 3/51840 930.0 3.236 3.236 2.005 0.000 -0.000 0.000 3/51840 940.0 3.203 3.203 1.984 0.000 -0.000 0.000 3/51840 950.0 3.170 3.170 1.964 0.000 -0.000 0.000 3/51840 960.0 3.138 3.138 1.945 0.000 -0.000 0.000 3/51840 970.0 3.107 3.107 1.925 0.000 -0.000 0.000 3/51840 980.0 3.076 3.076 1.907 0.000 -0.000 0.000 3/51840 990.0 3.046 3.046 1.888 0.000 -0.000 0.000 3/51840 1000.0 3.017 3.017 1.870 0.000 -0.000 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:37:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|