----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:40:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.534228865047431 -1.887456550000000 0.000000000000000 b 3.534228865047431 1.887456550000000 0.000000000000000 c -2.132417473576980 0.000000000000000 7.033028897642644 Atomic positions (fractional): *1 C 0.08039130094445 0.08039130094445 0.06551753786615 12.011 2 C 0.91960869905555 0.91960869905555 0.93448246213385 12.011 *3 C 0.45063256296995 0.45063256296995 0.55895895217279 12.011 4 C 0.54936743703005 0.54936743703005 0.44104104782721 12.011 *5 Ca 0.79967477130592 0.79967477130592 0.25346581704630 40.078 6 Ca 0.20032522869408 0.20032522869408 0.74653418295370 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.068457730094862 0.000000000000000 0.000000000000000 b 0.000000000000000 3.774913100000000 0.000000000000000 c -2.132417473576980 0.000000000000000 7.033028897642644 Atomic positions (fractional): *1 C 0.08039130094445 0.00000000000000 0.06551753786615 12.011 > 1 2 C 0.41960869905555 0.50000000000000 0.93448246213385 12.011 > 2 *3 C 0.45063256296995 0.00000000000000 0.55895895217279 12.011 > 3 4 C 0.04936743703006 0.50000000000000 0.44104104782721 12.011 > 4 5 C 0.58039130094445 0.50000000000000 0.06551753786615 12.011 > 1 6 C 0.91960869905555 0.00000000000000 0.93448246213385 12.011 > 2 7 C 0.95063256296995 0.50000000000000 0.55895895217279 12.011 > 3 8 C 0.54936743703005 0.00000000000000 0.44104104782721 12.011 > 4 *9 Ca 0.29967477130592 0.50000000000000 0.25346581704630 40.078 > 5 10 Ca 0.20032522869408 0.00000000000000 0.74653418295370 40.078 > 6 11 Ca 0.79967477130592 0.00000000000000 0.25346581704630 40.078 > 5 12 Ca 0.70032522869408 0.50000000000000 0.74653418295370 40.078 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.136915460189725 0.000000000000000 0.000000000000000 b 0.000000000000000 11.324739300000001 0.000000000000000 c -4.264834947153960 0.000000000000000 14.066057795285287 Atomic positions (fractional): *1 C 0.04019565047222 0.00000000000000 0.03275876893307 12.011 > 1 2 C 0.54019565047222 0.00000000000000 0.03275876893307 12.011 > 1 3 C 0.04019565047222 0.33333333333333 0.03275876893307 12.011 > 1 4 C 0.54019565047222 0.33333333333333 0.03275876893307 12.011 > 1 5 C 0.04019565047222 0.66666666666667 0.03275876893307 12.011 > 1 6 C 0.54019565047222 0.66666666666667 0.03275876893307 12.011 > 1 7 C 0.04019565047222 0.00000000000000 0.53275876893307 12.011 > 1 8 C 0.54019565047222 0.00000000000000 0.53275876893307 12.011 > 1 9 C 0.04019565047222 0.33333333333333 0.53275876893307 12.011 > 1 10 C 0.54019565047222 0.33333333333333 0.53275876893307 12.011 > 1 11 C 0.04019565047222 0.66666666666667 0.53275876893307 12.011 > 1 12 C 0.54019565047222 0.66666666666667 0.53275876893307 12.011 > 1 13 C 0.20980434952778 0.16666666666667 0.46724123106693 12.011 > 2 14 C 0.70980434952778 0.16666666666667 0.46724123106693 12.011 > 2 15 C 0.20980434952778 0.50000000000000 0.46724123106693 12.011 > 2 16 C 0.70980434952778 0.50000000000000 0.46724123106693 12.011 > 2 17 C 0.20980434952778 0.83333333333333 0.46724123106693 12.011 > 2 18 C 0.70980434952778 0.83333333333333 0.46724123106693 12.011 > 2 19 C 0.20980434952778 0.16666666666667 0.96724123106693 12.011 > 2 20 C 0.70980434952778 0.16666666666667 0.96724123106693 12.011 > 2 21 C 0.20980434952778 0.50000000000000 0.96724123106693 12.011 > 2 22 C 0.70980434952778 0.50000000000000 0.96724123106693 12.011 > 2 23 C 0.20980434952778 0.83333333333333 0.96724123106693 12.011 > 2 24 C 0.70980434952778 0.83333333333333 0.96724123106693 12.011 > 2 *25 C 0.22531628148497 0.00000000000000 0.27947947608639 12.011 > 3 26 C 0.72531628148497 0.00000000000000 0.27947947608639 12.011 > 3 27 C 0.22531628148497 0.33333333333333 0.27947947608639 12.011 > 3 28 C 0.72531628148497 0.33333333333333 0.27947947608639 12.011 > 3 29 C 0.22531628148497 0.66666666666667 0.27947947608639 12.011 > 3 30 C 0.72531628148497 0.66666666666667 0.27947947608639 12.011 > 3 31 C 0.22531628148497 0.00000000000000 0.77947947608639 12.011 > 3 32 C 0.72531628148497 0.00000000000000 0.77947947608639 12.011 > 3 33 C 0.22531628148497 0.33333333333333 0.77947947608639 12.011 > 3 34 C 0.72531628148497 0.33333333333333 0.77947947608639 12.011 > 3 35 C 0.22531628148497 0.66666666666667 0.77947947608639 12.011 > 3 36 C 0.72531628148497 0.66666666666667 0.77947947608639 12.011 > 3 37 C 0.02468371851503 0.16666666666667 0.22052052391361 12.011 > 4 38 C 0.52468371851503 0.16666666666667 0.22052052391361 12.011 > 4 39 C 0.02468371851503 0.50000000000000 0.22052052391361 12.011 > 4 40 C 0.52468371851503 0.50000000000000 0.22052052391361 12.011 > 4 41 C 0.02468371851503 0.83333333333333 0.22052052391361 12.011 > 4 42 C 0.52468371851503 0.83333333333333 0.22052052391361 12.011 > 4 43 C 0.02468371851503 0.16666666666667 0.72052052391361 12.011 > 4 44 C 0.52468371851503 0.16666666666667 0.72052052391361 12.011 > 4 45 C 0.02468371851503 0.50000000000000 0.72052052391361 12.011 > 4 46 C 0.52468371851503 0.50000000000000 0.72052052391361 12.011 > 4 47 C 0.02468371851503 0.83333333333333 0.72052052391361 12.011 > 4 48 C 0.52468371851503 0.83333333333333 0.72052052391361 12.011 > 4 49 C 0.29019565047222 0.16666666666667 0.03275876893307 12.011 > 1 50 C 0.79019565047222 0.16666666666667 0.03275876893307 12.011 > 1 51 C 0.29019565047222 0.50000000000000 0.03275876893307 12.011 > 1 52 C 0.79019565047222 0.50000000000000 0.03275876893307 12.011 > 1 53 C 0.29019565047222 0.83333333333333 0.03275876893307 12.011 > 1 54 C 0.79019565047222 0.83333333333333 0.03275876893307 12.011 > 1 55 C 0.29019565047222 0.16666666666667 0.53275876893307 12.011 > 1 56 C 0.79019565047222 0.16666666666667 0.53275876893307 12.011 > 1 57 C 0.29019565047222 0.50000000000000 0.53275876893307 12.011 > 1 58 C 0.79019565047222 0.50000000000000 0.53275876893307 12.011 > 1 59 C 0.29019565047222 0.83333333333333 0.53275876893307 12.011 > 1 60 C 0.79019565047222 0.83333333333333 0.53275876893307 12.011 > 1 61 C 0.45980434952778 0.00000000000000 0.46724123106693 12.011 > 2 62 C 0.95980434952778 0.00000000000000 0.46724123106693 12.011 > 2 63 C 0.45980434952778 0.33333333333333 0.46724123106693 12.011 > 2 64 C 0.95980434952778 0.33333333333333 0.46724123106693 12.011 > 2 65 C 0.45980434952778 0.66666666666667 0.46724123106693 12.011 > 2 66 C 0.95980434952778 0.66666666666667 0.46724123106693 12.011 > 2 67 C 0.45980434952778 0.00000000000000 0.96724123106693 12.011 > 2 68 C 0.95980434952778 0.00000000000000 0.96724123106693 12.011 > 2 69 C 0.45980434952778 0.33333333333333 0.96724123106693 12.011 > 2 70 C 0.95980434952778 0.33333333333333 0.96724123106693 12.011 > 2 71 C 0.45980434952778 0.66666666666667 0.96724123106693 12.011 > 2 72 C 0.95980434952778 0.66666666666667 0.96724123106693 12.011 > 2 73 C 0.47531628148497 0.16666666666667 0.27947947608639 12.011 > 3 74 C 0.97531628148497 0.16666666666667 0.27947947608639 12.011 > 3 75 C 0.47531628148497 0.50000000000000 0.27947947608639 12.011 > 3 76 C 0.97531628148497 0.50000000000000 0.27947947608639 12.011 > 3 77 C 0.47531628148497 0.83333333333333 0.27947947608639 12.011 > 3 78 C 0.97531628148497 0.83333333333333 0.27947947608639 12.011 > 3 79 C 0.47531628148497 0.16666666666667 0.77947947608639 12.011 > 3 80 C 0.97531628148497 0.16666666666667 0.77947947608639 12.011 > 3 81 C 0.47531628148497 0.50000000000000 0.77947947608639 12.011 > 3 82 C 0.97531628148497 0.50000000000000 0.77947947608639 12.011 > 3 83 C 0.47531628148497 0.83333333333333 0.77947947608639 12.011 > 3 84 C 0.97531628148497 0.83333333333333 0.77947947608639 12.011 > 3 85 C 0.27468371851503 0.00000000000000 0.22052052391361 12.011 > 4 86 C 0.77468371851503 0.00000000000000 0.22052052391361 12.011 > 4 87 C 0.27468371851503 0.33333333333333 0.22052052391361 12.011 > 4 88 C 0.77468371851503 0.33333333333333 0.22052052391361 12.011 > 4 89 C 0.27468371851503 0.66666666666667 0.22052052391361 12.011 > 4 90 C 0.77468371851503 0.66666666666667 0.22052052391361 12.011 > 4 91 C 0.27468371851503 0.00000000000000 0.72052052391361 12.011 > 4 92 C 0.77468371851503 0.00000000000000 0.72052052391361 12.011 > 4 93 C 0.27468371851503 0.33333333333333 0.72052052391361 12.011 > 4 94 C 0.77468371851503 0.33333333333333 0.72052052391361 12.011 > 4 95 C 0.27468371851503 0.66666666666667 0.72052052391361 12.011 > 4 96 C 0.77468371851503 0.66666666666667 0.72052052391361 12.011 > 4 *97 Ca 0.14983738565296 0.16666666666667 0.12673290852315 40.078 > 5 98 Ca 0.64983738565296 0.16666666666667 0.12673290852315 40.078 > 5 99 Ca 0.14983738565296 0.50000000000000 0.12673290852315 40.078 > 5 100 Ca 0.64983738565296 0.50000000000000 0.12673290852315 40.078 > 5 101 Ca 0.14983738565296 0.83333333333333 0.12673290852315 40.078 > 5 102 Ca 0.64983738565296 0.83333333333333 0.12673290852315 40.078 > 5 103 Ca 0.14983738565296 0.16666666666667 0.62673290852315 40.078 > 5 104 Ca 0.64983738565296 0.16666666666667 0.62673290852315 40.078 > 5 105 Ca 0.14983738565296 0.50000000000000 0.62673290852315 40.078 > 5 106 Ca 0.64983738565296 0.50000000000000 0.62673290852315 40.078 > 5 107 Ca 0.14983738565296 0.83333333333333 0.62673290852315 40.078 > 5 108 Ca 0.64983738565296 0.83333333333333 0.62673290852315 40.078 > 5 109 Ca 0.10016261434704 0.00000000000000 0.37326709147685 40.078 > 6 110 Ca 0.60016261434704 0.00000000000000 0.37326709147685 40.078 > 6 111 Ca 0.10016261434704 0.33333333333333 0.37326709147685 40.078 > 6 112 Ca 0.60016261434704 0.33333333333333 0.37326709147685 40.078 > 6 113 Ca 0.10016261434704 0.66666666666667 0.37326709147685 40.078 > 6 114 Ca 0.60016261434704 0.66666666666667 0.37326709147685 40.078 > 6 115 Ca 0.10016261434704 0.00000000000000 0.87326709147685 40.078 > 6 116 Ca 0.60016261434704 0.00000000000000 0.87326709147685 40.078 > 6 117 Ca 0.10016261434704 0.33333333333333 0.87326709147685 40.078 > 6 118 Ca 0.60016261434704 0.33333333333333 0.87326709147685 40.078 > 6 119 Ca 0.10016261434704 0.66666666666667 0.87326709147685 40.078 > 6 120 Ca 0.60016261434704 0.66666666666667 0.87326709147685 40.078 > 6 121 Ca 0.39983738565296 0.00000000000000 0.12673290852315 40.078 > 5 122 Ca 0.89983738565296 0.00000000000000 0.12673290852315 40.078 > 5 123 Ca 0.39983738565296 0.33333333333333 0.12673290852315 40.078 > 5 124 Ca 0.89983738565296 0.33333333333333 0.12673290852315 40.078 > 5 125 Ca 0.39983738565296 0.66666666666667 0.12673290852315 40.078 > 5 126 Ca 0.89983738565296 0.66666666666667 0.12673290852315 40.078 > 5 127 Ca 0.39983738565296 0.00000000000000 0.62673290852315 40.078 > 5 128 Ca 0.89983738565296 0.00000000000000 0.62673290852315 40.078 > 5 129 Ca 0.39983738565296 0.33333333333333 0.62673290852315 40.078 > 5 130 Ca 0.89983738565296 0.33333333333333 0.62673290852315 40.078 > 5 131 Ca 0.39983738565296 0.66666666666667 0.62673290852315 40.078 > 5 132 Ca 0.89983738565296 0.66666666666667 0.62673290852315 40.078 > 5 133 Ca 0.35016261434704 0.16666666666667 0.37326709147685 40.078 > 6 134 Ca 0.85016261434704 0.16666666666667 0.37326709147685 40.078 > 6 135 Ca 0.35016261434704 0.50000000000000 0.37326709147685 40.078 > 6 136 Ca 0.85016261434704 0.50000000000000 0.37326709147685 40.078 > 6 137 Ca 0.35016261434704 0.83333333333333 0.37326709147685 40.078 > 6 138 Ca 0.85016261434704 0.83333333333333 0.37326709147685 40.078 > 6 139 Ca 0.35016261434704 0.16666666666667 0.87326709147685 40.078 > 6 140 Ca 0.85016261434704 0.16666666666667 0.87326709147685 40.078 > 6 141 Ca 0.35016261434704 0.50000000000000 0.87326709147685 40.078 > 6 142 Ca 0.85016261434704 0.50000000000000 0.87326709147685 40.078 > 6 143 Ca 0.35016261434704 0.83333333333333 0.87326709147685 40.078 > 6 144 Ca 0.85016261434704 0.83333333333333 0.87326709147685 40.078 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3414428 0.0000000 -0.0532318 0.0000000 3.7185091 0.0000000 -0.0532332 0.0000000 4.2524141 -------------------------- Born effective charges -------------------------- 1 C -1.1895957 0.0000000 0.1125984 0.0000000 -1.1156040 0.0000000 -0.0201290 0.0000000 -1.1654253 2 C -1.1895957 0.0000000 0.1125984 0.0000000 -1.1156040 0.0000000 -0.0201290 0.0000000 -1.1654253 3 C -1.0633201 0.0000000 -0.1213537 0.0000000 -1.1734763 0.0000000 -0.0600236 0.0000000 -1.1635355 4 C -1.0633201 0.0000000 -0.1213537 0.0000000 -1.1734763 0.0000000 -0.0600236 0.0000000 -1.1635355 5 Ca 2.2529159 0.0000000 0.0087553 0.0000000 2.2890803 0.0000000 0.0801526 0.0000000 2.3289608 6 Ca 2.2529159 0.0000000 0.0087553 0.0000000 2.2890803 0.0000000 0.0801526 0.0000000 2.3289608 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1116 Number of blocks in projector: 1116 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1116, 1102), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (180, 177), data: True |-- (180, 177), data: True |-- (180, 177), data: True |-- (288, 283), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 1.825 Solver_block: 200 / 240 - Time: 1.774 Solver_block: 240 / 240 - Time: 0.778 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.439 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 5256/5256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1116 Number of blocks in projector: 1116 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1116, 1102), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (180, 177), data: True |-- (180, 177), data: True |-- (180, 177), data: True |-- (288, 283), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xz) -0.00000000 (xz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:41:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:41:11]------------------------- 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 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.534228865047431 -1.887456550000000 0.000000000000000 b 3.534228865047431 1.887456550000000 0.000000000000000 c -2.132417473576980 0.000000000000000 7.033028897642644 Atomic positions (fractional): 1 C 0.08039130094445 0.08039130094445 0.06551753786615 12.011 2 C 0.91960869905555 0.91960869905555 0.93448246213385 12.011 3 C 0.45063256296995 0.45063256296995 0.55895895217279 12.011 4 C 0.54936743703005 0.54936743703005 0.44104104782721 12.011 5 Ca 0.79967477130592 0.79967477130592 0.25346581704630 40.078 6 Ca 0.20032522869408 0.20032522869408 0.74653418295370 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.136915460189725 0.000000000000000 0.000000000000000 b 0.000000000000000 11.324739300000001 0.000000000000000 c -4.264834947153960 0.000000000000000 14.066057795285287 Atomic positions (fractional): 1 C 0.04019565047222 0.00000000000000 0.03275876893307 12.011 > 1 2 C 0.54019565047222 0.00000000000000 0.03275876893307 12.011 > 1 3 C 0.04019565047222 0.33333333333333 0.03275876893307 12.011 > 1 4 C 0.54019565047222 0.33333333333333 0.03275876893307 12.011 > 1 5 C 0.04019565047222 0.66666666666667 0.03275876893307 12.011 > 1 6 C 0.54019565047222 0.66666666666667 0.03275876893307 12.011 > 1 7 C 0.04019565047222 0.00000000000000 0.53275876893307 12.011 > 1 8 C 0.54019565047222 0.00000000000000 0.53275876893307 12.011 > 1 9 C 0.04019565047222 0.33333333333333 0.53275876893307 12.011 > 1 10 C 0.54019565047222 0.33333333333333 0.53275876893307 12.011 > 1 11 C 0.04019565047222 0.66666666666667 0.53275876893307 12.011 > 1 12 C 0.54019565047222 0.66666666666667 0.53275876893307 12.011 > 1 13 C 0.20980434952778 0.16666666666667 0.46724123106693 12.011 > 13 14 C 0.70980434952778 0.16666666666667 0.46724123106693 12.011 > 13 15 C 0.20980434952778 0.50000000000000 0.46724123106693 12.011 > 13 16 C 0.70980434952778 0.50000000000000 0.46724123106693 12.011 > 13 17 C 0.20980434952778 0.83333333333333 0.46724123106693 12.011 > 13 18 C 0.70980434952778 0.83333333333333 0.46724123106693 12.011 > 13 19 C 0.20980434952778 0.16666666666667 0.96724123106693 12.011 > 13 20 C 0.70980434952778 0.16666666666667 0.96724123106693 12.011 > 13 21 C 0.20980434952778 0.50000000000000 0.96724123106693 12.011 > 13 22 C 0.70980434952778 0.50000000000000 0.96724123106693 12.011 > 13 23 C 0.20980434952778 0.83333333333333 0.96724123106693 12.011 > 13 24 C 0.70980434952778 0.83333333333333 0.96724123106693 12.011 > 13 25 C 0.22531628148497 0.00000000000000 0.27947947608639 12.011 > 25 26 C 0.72531628148497 0.00000000000000 0.27947947608639 12.011 > 25 27 C 0.22531628148497 0.33333333333333 0.27947947608639 12.011 > 25 28 C 0.72531628148497 0.33333333333333 0.27947947608639 12.011 > 25 29 C 0.22531628148497 0.66666666666667 0.27947947608639 12.011 > 25 30 C 0.72531628148497 0.66666666666667 0.27947947608639 12.011 > 25 31 C 0.22531628148497 0.00000000000000 0.77947947608639 12.011 > 25 32 C 0.72531628148497 0.00000000000000 0.77947947608639 12.011 > 25 33 C 0.22531628148497 0.33333333333333 0.77947947608639 12.011 > 25 34 C 0.72531628148497 0.33333333333333 0.77947947608639 12.011 > 25 35 C 0.22531628148497 0.66666666666667 0.77947947608639 12.011 > 25 36 C 0.72531628148497 0.66666666666667 0.77947947608639 12.011 > 25 37 C 0.02468371851503 0.16666666666667 0.22052052391361 12.011 > 37 38 C 0.52468371851503 0.16666666666667 0.22052052391361 12.011 > 37 39 C 0.02468371851503 0.50000000000000 0.22052052391361 12.011 > 37 40 C 0.52468371851503 0.50000000000000 0.22052052391361 12.011 > 37 41 C 0.02468371851503 0.83333333333333 0.22052052391361 12.011 > 37 42 C 0.52468371851503 0.83333333333333 0.22052052391361 12.011 > 37 43 C 0.02468371851503 0.16666666666667 0.72052052391361 12.011 > 37 44 C 0.52468371851503 0.16666666666667 0.72052052391361 12.011 > 37 45 C 0.02468371851503 0.50000000000000 0.72052052391361 12.011 > 37 46 C 0.52468371851503 0.50000000000000 0.72052052391361 12.011 > 37 47 C 0.02468371851503 0.83333333333333 0.72052052391361 12.011 > 37 48 C 0.52468371851503 0.83333333333333 0.72052052391361 12.011 > 37 49 C 0.29019565047222 0.16666666666667 0.03275876893307 12.011 > 1 50 C 0.79019565047222 0.16666666666667 0.03275876893307 12.011 > 1 51 C 0.29019565047222 0.50000000000000 0.03275876893307 12.011 > 1 52 C 0.79019565047222 0.50000000000000 0.03275876893307 12.011 > 1 53 C 0.29019565047222 0.83333333333333 0.03275876893307 12.011 > 1 54 C 0.79019565047222 0.83333333333333 0.03275876893307 12.011 > 1 55 C 0.29019565047222 0.16666666666667 0.53275876893307 12.011 > 1 56 C 0.79019565047222 0.16666666666667 0.53275876893307 12.011 > 1 57 C 0.29019565047222 0.50000000000000 0.53275876893307 12.011 > 1 58 C 0.79019565047222 0.50000000000000 0.53275876893307 12.011 > 1 59 C 0.29019565047222 0.83333333333333 0.53275876893307 12.011 > 1 60 C 0.79019565047222 0.83333333333333 0.53275876893307 12.011 > 1 61 C 0.45980434952778 0.00000000000000 0.46724123106693 12.011 > 13 62 C 0.95980434952778 0.00000000000000 0.46724123106693 12.011 > 13 63 C 0.45980434952778 0.33333333333333 0.46724123106693 12.011 > 13 64 C 0.95980434952778 0.33333333333333 0.46724123106693 12.011 > 13 65 C 0.45980434952778 0.66666666666667 0.46724123106693 12.011 > 13 66 C 0.95980434952778 0.66666666666667 0.46724123106693 12.011 > 13 67 C 0.45980434952778 0.00000000000000 0.96724123106693 12.011 > 13 68 C 0.95980434952778 0.00000000000000 0.96724123106693 12.011 > 13 69 C 0.45980434952778 0.33333333333333 0.96724123106693 12.011 > 13 70 C 0.95980434952778 0.33333333333333 0.96724123106693 12.011 > 13 71 C 0.45980434952778 0.66666666666667 0.96724123106693 12.011 > 13 72 C 0.95980434952778 0.66666666666667 0.96724123106693 12.011 > 13 73 C 0.47531628148497 0.16666666666667 0.27947947608639 12.011 > 25 74 C 0.97531628148497 0.16666666666667 0.27947947608639 12.011 > 25 75 C 0.47531628148497 0.50000000000000 0.27947947608639 12.011 > 25 76 C 0.97531628148497 0.50000000000000 0.27947947608639 12.011 > 25 77 C 0.47531628148497 0.83333333333333 0.27947947608639 12.011 > 25 78 C 0.97531628148497 0.83333333333333 0.27947947608639 12.011 > 25 79 C 0.47531628148497 0.16666666666667 0.77947947608639 12.011 > 25 80 C 0.97531628148497 0.16666666666667 0.77947947608639 12.011 > 25 81 C 0.47531628148497 0.50000000000000 0.77947947608639 12.011 > 25 82 C 0.97531628148497 0.50000000000000 0.77947947608639 12.011 > 25 83 C 0.47531628148497 0.83333333333333 0.77947947608639 12.011 > 25 84 C 0.97531628148497 0.83333333333333 0.77947947608639 12.011 > 25 85 C 0.27468371851503 0.00000000000000 0.22052052391361 12.011 > 37 86 C 0.77468371851503 0.00000000000000 0.22052052391361 12.011 > 37 87 C 0.27468371851503 0.33333333333333 0.22052052391361 12.011 > 37 88 C 0.77468371851503 0.33333333333333 0.22052052391361 12.011 > 37 89 C 0.27468371851503 0.66666666666667 0.22052052391361 12.011 > 37 90 C 0.77468371851503 0.66666666666667 0.22052052391361 12.011 > 37 91 C 0.27468371851503 0.00000000000000 0.72052052391361 12.011 > 37 92 C 0.77468371851503 0.00000000000000 0.72052052391361 12.011 > 37 93 C 0.27468371851503 0.33333333333333 0.72052052391361 12.011 > 37 94 C 0.77468371851503 0.33333333333333 0.72052052391361 12.011 > 37 95 C 0.27468371851503 0.66666666666667 0.72052052391361 12.011 > 37 96 C 0.77468371851503 0.66666666666667 0.72052052391361 12.011 > 37 97 Ca 0.14983738565296 0.16666666666667 0.12673290852315 40.078 > 97 98 Ca 0.64983738565296 0.16666666666667 0.12673290852315 40.078 > 97 99 Ca 0.14983738565296 0.50000000000000 0.12673290852315 40.078 > 97 100 Ca 0.64983738565296 0.50000000000000 0.12673290852315 40.078 > 97 101 Ca 0.14983738565296 0.83333333333333 0.12673290852315 40.078 > 97 102 Ca 0.64983738565296 0.83333333333333 0.12673290852315 40.078 > 97 103 Ca 0.14983738565296 0.16666666666667 0.62673290852315 40.078 > 97 104 Ca 0.64983738565296 0.16666666666667 0.62673290852315 40.078 > 97 105 Ca 0.14983738565296 0.50000000000000 0.62673290852315 40.078 > 97 106 Ca 0.64983738565296 0.50000000000000 0.62673290852315 40.078 > 97 107 Ca 0.14983738565296 0.83333333333333 0.62673290852315 40.078 > 97 108 Ca 0.64983738565296 0.83333333333333 0.62673290852315 40.078 > 97 109 Ca 0.10016261434704 0.00000000000000 0.37326709147685 40.078 > 109 110 Ca 0.60016261434704 0.00000000000000 0.37326709147685 40.078 > 109 111 Ca 0.10016261434704 0.33333333333333 0.37326709147685 40.078 > 109 112 Ca 0.60016261434704 0.33333333333333 0.37326709147685 40.078 > 109 113 Ca 0.10016261434704 0.66666666666667 0.37326709147685 40.078 > 109 114 Ca 0.60016261434704 0.66666666666667 0.37326709147685 40.078 > 109 115 Ca 0.10016261434704 0.00000000000000 0.87326709147685 40.078 > 109 116 Ca 0.60016261434704 0.00000000000000 0.87326709147685 40.078 > 109 117 Ca 0.10016261434704 0.33333333333333 0.87326709147685 40.078 > 109 118 Ca 0.60016261434704 0.33333333333333 0.87326709147685 40.078 > 109 119 Ca 0.10016261434704 0.66666666666667 0.87326709147685 40.078 > 109 120 Ca 0.60016261434704 0.66666666666667 0.87326709147685 40.078 > 109 121 Ca 0.39983738565296 0.00000000000000 0.12673290852315 40.078 > 97 122 Ca 0.89983738565296 0.00000000000000 0.12673290852315 40.078 > 97 123 Ca 0.39983738565296 0.33333333333333 0.12673290852315 40.078 > 97 124 Ca 0.89983738565296 0.33333333333333 0.12673290852315 40.078 > 97 125 Ca 0.39983738565296 0.66666666666667 0.12673290852315 40.078 > 97 126 Ca 0.89983738565296 0.66666666666667 0.12673290852315 40.078 > 97 127 Ca 0.39983738565296 0.00000000000000 0.62673290852315 40.078 > 97 128 Ca 0.89983738565296 0.00000000000000 0.62673290852315 40.078 > 97 129 Ca 0.39983738565296 0.33333333333333 0.62673290852315 40.078 > 97 130 Ca 0.89983738565296 0.33333333333333 0.62673290852315 40.078 > 97 131 Ca 0.39983738565296 0.66666666666667 0.62673290852315 40.078 > 97 132 Ca 0.89983738565296 0.66666666666667 0.62673290852315 40.078 > 97 133 Ca 0.35016261434704 0.16666666666667 0.37326709147685 40.078 > 109 134 Ca 0.85016261434704 0.16666666666667 0.37326709147685 40.078 > 109 135 Ca 0.35016261434704 0.50000000000000 0.37326709147685 40.078 > 109 136 Ca 0.85016261434704 0.50000000000000 0.37326709147685 40.078 > 109 137 Ca 0.35016261434704 0.83333333333333 0.37326709147685 40.078 > 109 138 Ca 0.85016261434704 0.83333333333333 0.37326709147685 40.078 > 109 139 Ca 0.35016261434704 0.16666666666667 0.87326709147685 40.078 > 109 140 Ca 0.85016261434704 0.16666666666667 0.87326709147685 40.078 > 109 141 Ca 0.35016261434704 0.50000000000000 0.87326709147685 40.078 > 109 142 Ca 0.85016261434704 0.50000000000000 0.87326709147685 40.078 > 109 143 Ca 0.35016261434704 0.83333333333333 0.87326709147685 40.078 > 109 144 Ca 0.85016261434704 0.83333333333333 0.87326709147685 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3414428 0.0000000 -0.0532318 0.0000000 3.7185091 0.0000000 -0.0532332 0.0000000 4.2524141 -------------------------- Born effective charges -------------------------- 1 C -1.1895957 0.0000000 0.1125984 0.0000000 -1.1156040 0.0000000 -0.0201290 0.0000000 -1.1654253 2 C -1.1895957 0.0000000 0.1125984 0.0000000 -1.1156040 0.0000000 -0.0201290 0.0000000 -1.1654253 3 C -1.0633201 0.0000000 -0.1213537 0.0000000 -1.1734763 0.0000000 -0.0600236 0.0000000 -1.1635355 4 C -1.0633201 0.0000000 -0.1213537 0.0000000 -1.1734763 0.0000000 -0.0600236 0.0000000 -1.1635355 5 Ca 2.2529159 0.0000000 0.0087553 0.0000000 2.2890803 0.0000000 0.0801526 0.0000000 2.3289608 6 Ca 2.2529159 0.0000000 0.0087553 0.0000000 2.2890803 0.0000000 0.0801526 0.0000000 2.3289608 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:41:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:41:26]------------------------- 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 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.534228865047431 -1.887456550000000 0.000000000000000 b 3.534228865047431 1.887456550000000 0.000000000000000 c -2.132417473576980 0.000000000000000 7.033028897642644 Atomic positions (fractional): 1 C 0.08039130094445 0.08039130094445 0.06551753786615 12.011 2 C 0.91960869905555 0.91960869905555 0.93448246213385 12.011 3 C 0.45063256296995 0.45063256296995 0.55895895217279 12.011 4 C 0.54936743703005 0.54936743703005 0.44104104782721 12.011 5 Ca 0.79967477130592 0.79967477130592 0.25346581704630 40.078 6 Ca 0.20032522869408 0.20032522869408 0.74653418295370 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.136915460189725 0.000000000000000 0.000000000000000 b 0.000000000000000 11.324739300000001 0.000000000000000 c -4.264834947153960 0.000000000000000 14.066057795285287 Atomic positions (fractional): 1 C 0.04019565047222 0.00000000000000 0.03275876893307 12.011 > 1 2 C 0.54019565047222 0.00000000000000 0.03275876893307 12.011 > 1 3 C 0.04019565047222 0.33333333333333 0.03275876893307 12.011 > 1 4 C 0.54019565047222 0.33333333333333 0.03275876893307 12.011 > 1 5 C 0.04019565047222 0.66666666666667 0.03275876893307 12.011 > 1 6 C 0.54019565047222 0.66666666666667 0.03275876893307 12.011 > 1 7 C 0.04019565047222 0.00000000000000 0.53275876893307 12.011 > 1 8 C 0.54019565047222 0.00000000000000 0.53275876893307 12.011 > 1 9 C 0.04019565047222 0.33333333333333 0.53275876893307 12.011 > 1 10 C 0.54019565047222 0.33333333333333 0.53275876893307 12.011 > 1 11 C 0.04019565047222 0.66666666666667 0.53275876893307 12.011 > 1 12 C 0.54019565047222 0.66666666666667 0.53275876893307 12.011 > 1 13 C 0.20980434952778 0.16666666666667 0.46724123106693 12.011 > 13 14 C 0.70980434952778 0.16666666666667 0.46724123106693 12.011 > 13 15 C 0.20980434952778 0.50000000000000 0.46724123106693 12.011 > 13 16 C 0.70980434952778 0.50000000000000 0.46724123106693 12.011 > 13 17 C 0.20980434952778 0.83333333333333 0.46724123106693 12.011 > 13 18 C 0.70980434952778 0.83333333333333 0.46724123106693 12.011 > 13 19 C 0.20980434952778 0.16666666666667 0.96724123106693 12.011 > 13 20 C 0.70980434952778 0.16666666666667 0.96724123106693 12.011 > 13 21 C 0.20980434952778 0.50000000000000 0.96724123106693 12.011 > 13 22 C 0.70980434952778 0.50000000000000 0.96724123106693 12.011 > 13 23 C 0.20980434952778 0.83333333333333 0.96724123106693 12.011 > 13 24 C 0.70980434952778 0.83333333333333 0.96724123106693 12.011 > 13 25 C 0.22531628148497 0.00000000000000 0.27947947608639 12.011 > 25 26 C 0.72531628148497 0.00000000000000 0.27947947608639 12.011 > 25 27 C 0.22531628148497 0.33333333333333 0.27947947608639 12.011 > 25 28 C 0.72531628148497 0.33333333333333 0.27947947608639 12.011 > 25 29 C 0.22531628148497 0.66666666666667 0.27947947608639 12.011 > 25 30 C 0.72531628148497 0.66666666666667 0.27947947608639 12.011 > 25 31 C 0.22531628148497 0.00000000000000 0.77947947608639 12.011 > 25 32 C 0.72531628148497 0.00000000000000 0.77947947608639 12.011 > 25 33 C 0.22531628148497 0.33333333333333 0.77947947608639 12.011 > 25 34 C 0.72531628148497 0.33333333333333 0.77947947608639 12.011 > 25 35 C 0.22531628148497 0.66666666666667 0.77947947608639 12.011 > 25 36 C 0.72531628148497 0.66666666666667 0.77947947608639 12.011 > 25 37 C 0.02468371851503 0.16666666666667 0.22052052391361 12.011 > 37 38 C 0.52468371851503 0.16666666666667 0.22052052391361 12.011 > 37 39 C 0.02468371851503 0.50000000000000 0.22052052391361 12.011 > 37 40 C 0.52468371851503 0.50000000000000 0.22052052391361 12.011 > 37 41 C 0.02468371851503 0.83333333333333 0.22052052391361 12.011 > 37 42 C 0.52468371851503 0.83333333333333 0.22052052391361 12.011 > 37 43 C 0.02468371851503 0.16666666666667 0.72052052391361 12.011 > 37 44 C 0.52468371851503 0.16666666666667 0.72052052391361 12.011 > 37 45 C 0.02468371851503 0.50000000000000 0.72052052391361 12.011 > 37 46 C 0.52468371851503 0.50000000000000 0.72052052391361 12.011 > 37 47 C 0.02468371851503 0.83333333333333 0.72052052391361 12.011 > 37 48 C 0.52468371851503 0.83333333333333 0.72052052391361 12.011 > 37 49 C 0.29019565047222 0.16666666666667 0.03275876893307 12.011 > 1 50 C 0.79019565047222 0.16666666666667 0.03275876893307 12.011 > 1 51 C 0.29019565047222 0.50000000000000 0.03275876893307 12.011 > 1 52 C 0.79019565047222 0.50000000000000 0.03275876893307 12.011 > 1 53 C 0.29019565047222 0.83333333333333 0.03275876893307 12.011 > 1 54 C 0.79019565047222 0.83333333333333 0.03275876893307 12.011 > 1 55 C 0.29019565047222 0.16666666666667 0.53275876893307 12.011 > 1 56 C 0.79019565047222 0.16666666666667 0.53275876893307 12.011 > 1 57 C 0.29019565047222 0.50000000000000 0.53275876893307 12.011 > 1 58 C 0.79019565047222 0.50000000000000 0.53275876893307 12.011 > 1 59 C 0.29019565047222 0.83333333333333 0.53275876893307 12.011 > 1 60 C 0.79019565047222 0.83333333333333 0.53275876893307 12.011 > 1 61 C 0.45980434952778 0.00000000000000 0.46724123106693 12.011 > 13 62 C 0.95980434952778 0.00000000000000 0.46724123106693 12.011 > 13 63 C 0.45980434952778 0.33333333333333 0.46724123106693 12.011 > 13 64 C 0.95980434952778 0.33333333333333 0.46724123106693 12.011 > 13 65 C 0.45980434952778 0.66666666666667 0.46724123106693 12.011 > 13 66 C 0.95980434952778 0.66666666666667 0.46724123106693 12.011 > 13 67 C 0.45980434952778 0.00000000000000 0.96724123106693 12.011 > 13 68 C 0.95980434952778 0.00000000000000 0.96724123106693 12.011 > 13 69 C 0.45980434952778 0.33333333333333 0.96724123106693 12.011 > 13 70 C 0.95980434952778 0.33333333333333 0.96724123106693 12.011 > 13 71 C 0.45980434952778 0.66666666666667 0.96724123106693 12.011 > 13 72 C 0.95980434952778 0.66666666666667 0.96724123106693 12.011 > 13 73 C 0.47531628148497 0.16666666666667 0.27947947608639 12.011 > 25 74 C 0.97531628148497 0.16666666666667 0.27947947608639 12.011 > 25 75 C 0.47531628148497 0.50000000000000 0.27947947608639 12.011 > 25 76 C 0.97531628148497 0.50000000000000 0.27947947608639 12.011 > 25 77 C 0.47531628148497 0.83333333333333 0.27947947608639 12.011 > 25 78 C 0.97531628148497 0.83333333333333 0.27947947608639 12.011 > 25 79 C 0.47531628148497 0.16666666666667 0.77947947608639 12.011 > 25 80 C 0.97531628148497 0.16666666666667 0.77947947608639 12.011 > 25 81 C 0.47531628148497 0.50000000000000 0.77947947608639 12.011 > 25 82 C 0.97531628148497 0.50000000000000 0.77947947608639 12.011 > 25 83 C 0.47531628148497 0.83333333333333 0.77947947608639 12.011 > 25 84 C 0.97531628148497 0.83333333333333 0.77947947608639 12.011 > 25 85 C 0.27468371851503 0.00000000000000 0.22052052391361 12.011 > 37 86 C 0.77468371851503 0.00000000000000 0.22052052391361 12.011 > 37 87 C 0.27468371851503 0.33333333333333 0.22052052391361 12.011 > 37 88 C 0.77468371851503 0.33333333333333 0.22052052391361 12.011 > 37 89 C 0.27468371851503 0.66666666666667 0.22052052391361 12.011 > 37 90 C 0.77468371851503 0.66666666666667 0.22052052391361 12.011 > 37 91 C 0.27468371851503 0.00000000000000 0.72052052391361 12.011 > 37 92 C 0.77468371851503 0.00000000000000 0.72052052391361 12.011 > 37 93 C 0.27468371851503 0.33333333333333 0.72052052391361 12.011 > 37 94 C 0.77468371851503 0.33333333333333 0.72052052391361 12.011 > 37 95 C 0.27468371851503 0.66666666666667 0.72052052391361 12.011 > 37 96 C 0.77468371851503 0.66666666666667 0.72052052391361 12.011 > 37 97 Ca 0.14983738565296 0.16666666666667 0.12673290852315 40.078 > 97 98 Ca 0.64983738565296 0.16666666666667 0.12673290852315 40.078 > 97 99 Ca 0.14983738565296 0.50000000000000 0.12673290852315 40.078 > 97 100 Ca 0.64983738565296 0.50000000000000 0.12673290852315 40.078 > 97 101 Ca 0.14983738565296 0.83333333333333 0.12673290852315 40.078 > 97 102 Ca 0.64983738565296 0.83333333333333 0.12673290852315 40.078 > 97 103 Ca 0.14983738565296 0.16666666666667 0.62673290852315 40.078 > 97 104 Ca 0.64983738565296 0.16666666666667 0.62673290852315 40.078 > 97 105 Ca 0.14983738565296 0.50000000000000 0.62673290852315 40.078 > 97 106 Ca 0.64983738565296 0.50000000000000 0.62673290852315 40.078 > 97 107 Ca 0.14983738565296 0.83333333333333 0.62673290852315 40.078 > 97 108 Ca 0.64983738565296 0.83333333333333 0.62673290852315 40.078 > 97 109 Ca 0.10016261434704 0.00000000000000 0.37326709147685 40.078 > 109 110 Ca 0.60016261434704 0.00000000000000 0.37326709147685 40.078 > 109 111 Ca 0.10016261434704 0.33333333333333 0.37326709147685 40.078 > 109 112 Ca 0.60016261434704 0.33333333333333 0.37326709147685 40.078 > 109 113 Ca 0.10016261434704 0.66666666666667 0.37326709147685 40.078 > 109 114 Ca 0.60016261434704 0.66666666666667 0.37326709147685 40.078 > 109 115 Ca 0.10016261434704 0.00000000000000 0.87326709147685 40.078 > 109 116 Ca 0.60016261434704 0.00000000000000 0.87326709147685 40.078 > 109 117 Ca 0.10016261434704 0.33333333333333 0.87326709147685 40.078 > 109 118 Ca 0.60016261434704 0.33333333333333 0.87326709147685 40.078 > 109 119 Ca 0.10016261434704 0.66666666666667 0.87326709147685 40.078 > 109 120 Ca 0.60016261434704 0.66666666666667 0.87326709147685 40.078 > 109 121 Ca 0.39983738565296 0.00000000000000 0.12673290852315 40.078 > 97 122 Ca 0.89983738565296 0.00000000000000 0.12673290852315 40.078 > 97 123 Ca 0.39983738565296 0.33333333333333 0.12673290852315 40.078 > 97 124 Ca 0.89983738565296 0.33333333333333 0.12673290852315 40.078 > 97 125 Ca 0.39983738565296 0.66666666666667 0.12673290852315 40.078 > 97 126 Ca 0.89983738565296 0.66666666666667 0.12673290852315 40.078 > 97 127 Ca 0.39983738565296 0.00000000000000 0.62673290852315 40.078 > 97 128 Ca 0.89983738565296 0.00000000000000 0.62673290852315 40.078 > 97 129 Ca 0.39983738565296 0.33333333333333 0.62673290852315 40.078 > 97 130 Ca 0.89983738565296 0.33333333333333 0.62673290852315 40.078 > 97 131 Ca 0.39983738565296 0.66666666666667 0.62673290852315 40.078 > 97 132 Ca 0.89983738565296 0.66666666666667 0.62673290852315 40.078 > 97 133 Ca 0.35016261434704 0.16666666666667 0.37326709147685 40.078 > 109 134 Ca 0.85016261434704 0.16666666666667 0.37326709147685 40.078 > 109 135 Ca 0.35016261434704 0.50000000000000 0.37326709147685 40.078 > 109 136 Ca 0.85016261434704 0.50000000000000 0.37326709147685 40.078 > 109 137 Ca 0.35016261434704 0.83333333333333 0.37326709147685 40.078 > 109 138 Ca 0.85016261434704 0.83333333333333 0.37326709147685 40.078 > 109 139 Ca 0.35016261434704 0.16666666666667 0.87326709147685 40.078 > 109 140 Ca 0.85016261434704 0.16666666666667 0.87326709147685 40.078 > 109 141 Ca 0.35016261434704 0.50000000000000 0.87326709147685 40.078 > 109 142 Ca 0.85016261434704 0.50000000000000 0.87326709147685 40.078 > 109 143 Ca 0.35016261434704 0.83333333333333 0.87326709147685 40.078 > 109 144 Ca 0.85016261434704 0.83333333333333 0.87326709147685 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3414428 0.0000000 -0.0532318 0.0000000 3.7185091 0.0000000 -0.0532332 0.0000000 4.2524141 -------------------------- Born effective charges -------------------------- 1 C -1.1895957 0.0000000 0.1125984 0.0000000 -1.1156040 0.0000000 -0.0201290 0.0000000 -1.1654253 2 C -1.1895957 0.0000000 0.1125984 0.0000000 -1.1156040 0.0000000 -0.0201290 0.0000000 -1.1654253 3 C -1.0633201 0.0000000 -0.1213537 0.0000000 -1.1734763 0.0000000 -0.0600236 0.0000000 -1.1635355 4 C -1.0633201 0.0000000 -0.1213537 0.0000000 -1.1734763 0.0000000 -0.0600236 0.0000000 -1.1635355 5 Ca 2.2529159 0.0000000 0.0087553 0.0000000 2.2890803 0.0000000 0.0801526 0.0000000 2.3289608 6 Ca 2.2529159 0.0000000 0.0087553 0.0000000 2.2890803 0.0000000 0.0801526 0.0000000 2.3289608 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) --------------------------- 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 ... [ 15 15 7 ] 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: 0.91, Number of G-points: 313, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/424) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000 7.335 ( 0.000 0.000 0.000) 0.000 7.407 ( 0.000 0.000 0.000) 0.000 7.722 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.802 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 56.143 ( 0.000 0.000 0.000) 0.000 56.509 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/424) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 52.306 -7.702 -13.032) 54.453 0.640 ( 29.640 -20.345 0.637) 35.956 1.235 ( 9.589 -61.016 13.684) 63.262 2.959 ( 6.351 -17.952 -0.118) 19.043 5.084 ( 0.993 6.055 -3.461) 7.044 5.966 ( -9.637 3.070 5.472) 11.500 7.295 ( -2.382 -1.885 -2.692) 4.059 7.425 ( -0.292 -3.658 -9.860) 10.521 7.523 ( 8.037 -7.954 2.633) 11.610 7.808 ( 10.754 5.145 16.343) 20.229 8.000 ( -3.196 0.220 -0.710) 3.281 8.984 ( -31.352 -10.918 22.093) 39.878 9.196 ( -2.597 2.579 4.659) 5.924 9.781 ( -2.704 -0.306 -7.449) 7.930 10.196 ( -6.248 7.383 7.103) 12.000 12.160 ( -5.792 0.893 -19.308) 20.178 56.145 ( 0.251 -0.137 -0.009) 0.286 56.509 ( 0.106 -0.018 -0.054) 0.120 ======================= Grid point 2 (3/424) ======================= q-point: ( 0.13 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 51.021 -10.785 -20.186) 55.919 1.280 ( 25.353 -21.434 6.368) 33.805 2.382 ( 4.676 -56.332 10.341) 57.464 3.479 ( 14.502 -28.406 0.762) 31.903 4.930 ( 1.882 10.373 -7.263) 12.802 5.845 ( -14.280 0.120 12.965) 19.288 7.326 ( 2.784 -1.943 -0.528) 3.436 7.456 ( 1.151 -2.872 -10.621) 11.063 7.669 ( 7.113 3.010 4.739) 9.062 7.955 ( -0.521 -3.676 -1.727) 4.094 7.973 ( 4.214 -5.480 10.855) 12.869 8.914 ( -18.206 -2.533 9.011) 20.471 9.131 ( -6.938 1.733 10.377) 12.602 9.686 ( -7.059 2.863 -15.244) 17.041 10.000 ( -8.001 8.804 14.843) 19.022 11.974 ( -6.430 7.782 -16.597) 19.425 56.152 ( 0.449 -0.239 -0.017) 0.509 56.511 ( 0.212 -0.052 -0.081) 0.233 ======================= Grid point 3 (4/424) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 49.884 -12.050 -27.397) 58.174 1.905 ( 19.758 -21.927 12.406) 32.017 3.340 ( 0.437 -46.181 6.581) 46.649 4.156 ( 17.445 -25.705 -6.095) 31.658 4.793 ( 6.054 1.766 -1.931) 6.596 5.764 ( -17.285 -2.153 18.894) 25.698 7.401 ( 2.759 -1.964 3.217) 4.671 7.478 ( 8.523 2.169 -11.658) 14.603 7.648 ( -2.216 0.441 0.173) 2.266 7.925 ( -1.168 1.869 1.646) 2.751 8.199 ( 1.465 -6.685 6.306) 9.306 8.798 ( -7.356 3.042 3.992) 8.906 9.069 ( -12.326 -1.159 13.687) 18.456 9.484 ( -9.958 4.656 -10.940) 15.509 9.855 ( -6.695 4.457 12.165) 14.584 11.675 ( -7.521 12.622 -18.390) 23.539 56.162 ( 0.556 -0.285 -0.020) 0.626 56.515 ( 0.305 -0.099 -0.074) 0.329 ======================= Grid point 4 (5/424) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 45.699 -11.599 -28.193) 54.934 2.487 ( 16.537 -20.359 12.593) 29.096 3.995 ( -0.125 -20.023 -0.646) 20.033 4.437 ( 8.311 -11.077 -14.517) 20.063 5.241 ( 14.812 -29.363 8.866) 34.062 5.683 ( -19.813 -2.244 21.687) 29.461 7.360 ( 0.043 7.266 -1.251) 7.373 7.537 ( 11.682 0.489 -1.201) 11.753 7.665 ( -8.274 -8.869 -7.488) 14.255 7.877 ( 3.287 5.391 3.743) 7.340 8.234 ( -4.314 1.134 4.802) 6.554 8.711 ( 1.095 5.525 2.682) 6.238 9.025 ( -14.529 -4.050 13.066) 19.955 9.319 ( -8.825 1.321 -5.169) 10.312 9.780 ( -5.397 0.623 8.397) 10.002 11.293 ( -7.705 15.804 -20.096) 26.701 56.172 ( 0.563 -0.277 -0.018) 0.627 56.520 ( 0.357 -0.138 -0.044) 0.385 ======================= Grid point 5 (6/424) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.881 ( 29.293 -10.038 -9.745) 32.462 3.014 ( 25.491 -16.229 -5.880) 30.785 4.025 ( 0.901 4.193 -14.139) 14.775 4.904 ( 9.331 -26.022 0.224) 27.645 5.411 ( -27.120 4.059 17.038) 32.284 5.998 ( 10.675 -26.335 6.413) 29.131 7.241 ( -1.134 3.421 -0.496) 3.639 7.632 ( 8.528 0.498 7.272) 11.219 7.739 ( -6.287 -9.733 -10.259) 15.476 7.834 ( 6.799 5.897 3.782) 9.763 8.180 ( -3.206 1.364 3.364) 4.844 8.607 ( 1.564 8.268 1.934) 8.634 9.004 ( -13.464 -4.496 9.506) 17.084 9.221 ( -7.595 0.314 -2.454) 7.987 9.781 ( -3.409 -2.530 6.647) 7.887 10.875 ( -6.583 16.867 -19.806) 26.834 56.181 ( 0.476 -0.226 -0.012) 0.527 56.526 ( 0.340 -0.146 -0.013) 0.370 ======================= Grid point 6 (7/424) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( 13.427 -5.910 5.377) 15.624 3.508 ( 34.271 -11.597 -21.235) 41.951 3.931 ( -0.023 1.075 -12.755) 12.800 5.027 ( -32.875 10.677 17.224) 38.619 5.407 ( 9.940 -18.569 1.225) 21.098 6.447 ( 3.476 -14.426 0.401) 14.844 7.239 ( -0.238 -2.992 2.575) 3.954 7.740 ( 9.690 0.114 12.452) 15.779 7.798 ( -2.585 0.439 1.602) 3.073 7.831 ( 1.849 -4.960 -9.204) 10.617 8.151 ( -1.862 0.130 1.675) 2.508 8.483 ( 1.629 7.161 -0.379) 7.354 8.983 ( -10.163 -3.287 6.336) 12.419 9.149 ( -4.925 0.408 -0.911) 5.025 9.824 ( -2.411 -3.230 4.875) 6.325 10.484 ( -4.356 14.913 -16.102) 22.375 56.188 ( 0.316 -0.146 -0.005) 0.348 56.531 ( 0.245 -0.111 0.004) 0.269 ======================= Grid point 7 (8/424) ======================= q-point: ( 0.47 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( 4.320 -1.484 4.099) 6.137 3.798 ( 8.392 0.439 -9.463) 12.656 4.075 ( 25.017 -12.772 -18.002) 33.362 4.550 ( -33.174 12.805 18.736) 40.194 5.720 ( 5.095 -7.131 0.315) 8.770 6.597 ( -0.823 -3.079 -0.181) 3.193 7.313 ( 0.255 -3.019 1.545) 3.401 7.750 ( 0.444 2.776 1.639) 3.254 7.842 ( 3.724 -0.321 3.392) 5.047 7.925 ( -0.037 -4.994 -2.046) 5.397 8.143 ( -0.937 -0.239 0.579) 1.127 8.396 ( 0.786 3.226 -1.213) 3.535 8.970 ( -3.828 -1.345 2.724) 4.887 9.111 ( -1.551 0.180 -0.301) 1.590 9.871 ( -1.117 -2.387 2.636) 3.728 10.212 ( -1.473 7.437 -7.370) 10.574 56.192 ( 0.111 -0.051 -0.001) 0.122 56.534 ( 0.090 -0.041 0.003) 0.099 ======================= Grid point 16 (9/424) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 14.399 -0.000 12.445) 19.032 0.979 ( 57.805 -0.000 -21.370) 61.629 1.239 ( 55.276 -0.000 32.819) 64.285 2.863 ( 10.262 -0.000 -1.194) 10.331 5.150 ( 3.162 -0.000 -7.337) 7.989 5.892 ( -16.655 0.000 8.476) 18.688 7.102 ( -6.558 0.000 -4.416) 7.907 7.454 ( 6.083 -0.000 4.932) 7.831 7.561 ( 14.035 -0.000 -7.211) 15.779 7.923 ( -7.138 0.000 2.608) 7.599 8.092 ( 3.241 -0.000 -3.563) 4.816 8.519 ( -21.541 0.000 61.226) 64.905 9.192 ( -5.089 0.000 4.790) 6.989 9.710 ( -4.888 0.000 -12.339) 13.272 10.196 ( -12.896 0.000 12.228) 17.771 12.055 ( 2.647 -0.000 -22.859) 23.012 56.148 ( 0.517 -0.000 -0.035) 0.518 56.511 ( 0.228 -0.000 -0.037) 0.231 ======================= Grid point 17 (10/424) ======================= q-point: ( 0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 12.251 -38.194 5.209) 40.448 1.525 ( 57.582 -6.366 -30.450) 65.448 1.926 ( 41.458 -14.272 34.744) 55.943 3.177 ( 16.060 -21.090 0.008) 26.508 5.083 ( 3.219 7.195 -13.752) 15.851 5.742 ( -18.448 0.704 16.798) 24.960 7.127 ( -8.021 -8.711 -5.336) 12.988 7.530 ( 9.233 0.763 -1.345) 9.362 7.734 ( 10.802 -6.953 -1.966) 12.996 7.884 ( -7.635 -0.382 0.322) 7.651 8.040 ( 5.491 4.078 8.033) 10.550 8.609 ( -20.378 -10.329 24.070) 33.186 9.136 ( -6.593 1.784 6.401) 9.361 9.597 ( -9.743 1.125 -15.571) 18.403 10.053 ( -15.162 4.481 15.416) 22.082 11.969 ( -4.283 4.019 -15.848) 16.902 56.155 ( 0.722 -0.102 -0.039) 0.730 56.513 ( 0.351 0.003 -0.057) 0.356 ======================= Grid point 18 (11/424) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 18.750 -26.041 9.514) 33.469 2.080 ( 56.495 -5.809 -33.568) 65.971 2.710 ( 20.264 -31.356 22.871) 43.783 3.833 ( 21.347 -29.288 1.130) 36.260 4.919 ( 3.501 7.889 -15.770) 17.977 5.633 ( -17.894 -0.703 24.155) 30.069 7.200 ( -7.797 -9.728 -4.934) 13.408 7.600 ( 12.180 1.698 -4.442) 13.075 7.753 ( -5.749 6.574 -0.844) 8.774 7.928 ( 4.612 -5.154 -0.593) 6.942 8.114 ( -0.106 -3.777 12.415) 12.978 8.640 ( -13.787 -7.411 9.812) 18.474 9.046 ( -7.578 3.065 8.255) 11.618 9.402 ( -13.748 2.683 -12.121) 18.524 9.878 ( -13.045 4.200 13.071) 18.939 11.743 ( -7.702 9.616 -16.373) 20.490 56.164 ( 0.833 -0.153 -0.039) 0.848 56.517 ( 0.456 -0.023 -0.052) 0.460 ======================= Grid point 19 (12/424) ======================= q-point: ( 0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 20.204 -19.583 11.464) 30.383 2.609 ( 52.419 -6.599 -31.700) 61.613 3.505 ( 11.001 -34.420 13.259) 38.491 4.366 ( 11.409 -7.393 -19.144) 23.480 4.994 ( 14.665 -17.022 4.074) 22.834 5.541 ( -19.562 -0.057 26.522) 32.956 7.294 ( -6.353 -9.697 -4.896) 12.584 7.534 ( -8.299 7.168 -5.590) 12.308 7.690 ( 10.331 1.639 1.487) 10.566 8.007 ( 6.209 1.473 1.591) 6.577 8.166 ( -8.363 -2.929 8.520) 12.293 8.693 ( -5.325 -6.028 2.736) 8.496 8.936 ( -9.198 3.171 9.974) 13.933 9.224 ( -11.449 0.495 -5.346) 12.645 9.746 ( -10.516 1.273 8.830) 13.790 11.407 ( -9.503 13.164 -18.293) 24.458 56.175 ( 0.840 -0.144 -0.035) 0.853 56.522 ( 0.518 -0.047 -0.018) 0.520 ======================= Grid point 20 (13/424) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 18.309 -14.411 11.038) 25.783 3.123 ( 47.451 -8.063 -28.425) 55.898 4.027 ( 4.963 -5.741 -6.047) 9.704 4.534 ( 9.670 -20.890 -9.676) 24.971 5.318 ( -18.955 4.471 21.130) 28.737 5.671 ( 11.324 -26.129 11.008) 30.531 7.282 ( -5.680 5.030 -3.065) 8.183 7.442 ( -7.834 -10.393 -5.356) 14.074 7.756 ( 5.396 0.868 6.545) 8.527 8.016 ( 6.409 4.706 1.962) 8.190 8.147 ( -4.539 -1.057 2.904) 5.491 8.717 ( -1.697 1.032 -2.276) 3.021 8.838 ( -11.845 -0.961 10.878) 16.111 9.134 ( -7.634 -1.046 -1.310) 7.816 9.698 ( -7.519 -2.914 6.977) 10.663 11.013 ( -9.983 14.446 -18.965) 25.846 56.184 ( 0.750 -0.086 -0.029) 0.755 56.528 ( 0.508 -0.044 0.022) 0.511 ======================= Grid point 21 (14/424) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 15.387 -7.825 11.497) 20.740 3.627 ( 42.907 -9.420 -25.058) 50.573 3.951 ( 1.058 6.590 -18.372) 19.547 4.996 ( -25.481 11.424 19.764) 34.211 5.102 ( 9.267 -26.272 2.175) 27.943 6.217 ( 8.643 -19.416 4.131) 21.651 7.191 ( -3.478 -0.856 1.252) 3.794 7.546 ( -6.820 -9.726 -6.963) 13.769 7.818 ( 1.062 -2.513 11.296) 11.621 7.977 ( 4.673 6.024 2.974) 8.183 8.141 ( 0.061 0.414 -0.347) 0.544 8.621 ( 1.308 6.798 -3.669) 7.835 8.820 ( -10.771 -5.602 6.698) 13.866 9.097 ( -4.277 -1.051 0.900) 4.495 9.729 ( -5.590 -4.781 5.812) 9.375 10.620 ( -9.145 13.331 -16.940) 23.416 56.191 ( 0.585 0.002 -0.022) 0.586 56.533 ( 0.417 -0.003 0.045) 0.419 ======================= Grid point 22 (15/424) ======================= q-point: ( 0.47 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.494 ( 11.852 1.664 11.931) 16.899 3.789 ( -5.685 2.406 -15.710) 16.879 4.122 ( 39.533 -10.178 -21.324) 46.056 4.572 ( -24.003 14.353 17.901) 33.205 5.568 ( 5.302 -15.824 1.251) 16.736 6.524 ( 4.665 -8.185 2.112) 9.655 7.236 ( -1.302 -4.985 2.516) 5.734 7.602 ( -9.281 -8.002 -7.765) 14.507 7.855 ( -1.923 3.077 1.285) 3.849 8.003 ( 6.929 -2.868 10.997) 13.310 8.107 ( -3.456 1.707 1.474) 4.127 8.516 ( 4.628 6.960 -4.841) 9.659 8.865 ( -4.852 -6.448 2.635) 8.489 9.092 ( -1.300 -0.870 2.131) 2.643 9.782 ( -4.605 -5.032 4.435) 8.136 10.298 ( -6.970 9.224 -11.438) 16.263 56.195 ( 0.375 0.103 -0.017) 0.389 56.536 ( 0.260 0.070 0.047) 0.273 ======================= Grid point 23 (16/424) ======================= q-point: ( 0.53 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.450 ( -0.838 9.409 -1.599) 9.580 3.709 ( -10.870 -0.725 9.089) 14.188 4.170 ( -13.906 12.993 12.817) 22.945 4.629 ( 38.339 -10.761 -18.597) 43.949 5.726 ( -4.460 -1.218 0.218) 4.629 6.655 ( 6.247 -0.865 2.200) 6.679 7.305 ( -1.672 -2.611 -0.749) 3.190 7.614 ( -9.815 -5.577 -6.646) 13.100 7.770 ( -2.246 2.348 -4.935) 5.908 8.029 ( -9.498 -0.620 5.131) 10.813 8.166 ( 9.918 0.095 10.808) 14.670 8.415 ( 0.397 5.462 -6.153) 8.237 8.968 ( 4.237 -4.920 -1.698) 6.712 9.116 ( 1.414 -1.137 2.221) 2.868 9.844 ( -3.054 -4.336 2.105) 5.706 10.135 ( -4.123 -0.443 -1.126) 4.297 56.195 ( 0.150 0.205 -0.015) 0.254 56.536 ( 0.077 0.153 0.037) 0.175 ======================= Grid point 24 (17/424) ======================= q-point: (-0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( -16.657 8.928 2.426) 19.054 3.531 ( -15.157 11.395 17.574) 25.854 3.979 ( -0.292 3.961 4.377) 5.910 5.125 ( 36.348 -10.328 -15.063) 40.678 5.564 ( -9.914 10.351 -0.329) 14.337 6.658 ( 3.723 8.558 2.889) 9.770 7.269 ( -3.431 2.336 -4.339) 6.005 7.578 ( -8.778 -2.942 -7.457) 11.887 7.702 ( -6.805 -0.283 -4.811) 8.338 7.992 ( -2.266 0.369 8.518) 8.822 8.202 ( 4.717 6.113 2.161) 8.018 8.358 ( -3.182 -3.819 -2.903) 5.756 9.085 ( 10.706 -0.898 -5.322) 11.990 9.178 ( 5.013 -1.963 1.241) 5.525 9.853 ( -1.424 0.448 -3.062) 3.406 10.271 ( -1.384 -14.904 12.188) 19.302 56.191 ( -0.058 0.296 -0.011) 0.301 56.532 ( -0.085 0.220 0.027) 0.237 ======================= Grid point 25 (18/424) ======================= q-point: (-0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( -29.092 12.349 15.207) 35.073 3.182 ( -8.713 18.121 2.884) 20.312 3.988 ( 0.136 -2.302 7.454) 7.803 5.209 ( -9.172 18.214 -1.053) 20.420 5.562 ( 31.503 -5.817 -13.685) 34.836 6.374 ( -4.325 24.609 0.881) 25.002 7.190 ( -4.258 -0.343 -3.833) 5.739 7.513 ( -8.498 -0.542 -4.530) 9.646 7.654 ( -7.053 -4.875 -1.664) 8.734 7.996 ( 6.009 5.041 7.491) 10.846 8.149 ( -1.471 -0.035 -2.916) 3.267 8.430 ( -2.642 -7.463 -2.156) 8.206 9.163 ( 12.460 2.227 -8.411) 15.197 9.280 ( 7.819 -1.778 1.618) 8.180 9.810 ( -0.985 1.351 -4.909) 5.186 10.640 ( 1.911 -20.410 17.164) 26.736 56.183 ( -0.218 0.365 -0.004) 0.425 56.527 ( -0.187 0.250 0.028) 0.313 ======================= Grid point 26 (19/424) ======================= q-point: (-0.27 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( -33.855 16.340 21.016) 43.068 2.733 ( -8.050 23.427 -6.119) 25.516 4.085 ( 0.525 -4.818 7.929) 9.294 4.760 ( -5.952 23.722 1.125) 24.484 5.697 ( -2.704 32.041 -2.857) 32.281 5.862 ( 15.008 6.114 -16.080) 22.829 7.203 ( -4.285 -6.399 -2.840) 8.208 7.414 ( -12.517 -0.190 3.099) 12.897 7.750 ( 1.912 -7.713 -1.076) 8.019 7.953 ( 8.867 9.784 6.890) 14.894 8.171 ( -2.193 -5.354 -3.555) 6.791 8.542 ( -3.284 -8.799 -3.790) 10.128 9.197 ( 12.429 3.875 -10.933) 17.001 9.383 ( 7.133 -1.021 3.738) 8.117 9.777 ( 0.127 -0.412 -6.193) 6.208 11.087 ( 4.314 -20.430 16.977) 26.912 56.174 ( -0.304 0.406 0.004) 0.507 56.521 ( -0.214 0.234 0.040) 0.320 ======================= Grid point 27 (20/424) ======================= q-point: (-0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -33.829 19.279 20.628) 44.064 2.175 ( -9.620 27.476 -8.705) 30.385 4.052 ( 6.276 23.804 -2.113) 24.708 4.364 ( -8.395 11.471 12.763) 19.104 4.927 ( -11.207 31.566 -7.630) 34.355 5.923 ( 14.645 3.839 -13.330) 20.172 7.280 ( -5.126 -6.304 -5.957) 10.074 7.324 ( -11.274 -2.843 6.727) 13.432 7.850 ( 6.450 6.511 3.004) 9.644 7.909 ( 5.639 0.067 3.248) 6.508 8.227 ( -2.342 -1.063 -3.163) 4.077 8.668 ( -1.148 -10.682 -3.418) 11.274 9.208 ( 11.223 3.743 -11.186) 16.281 9.497 ( 5.779 -4.438 7.103) 10.176 9.796 ( 1.322 -2.893 -7.913) 8.528 11.516 ( 4.894 -17.746 13.781) 22.995 56.164 ( -0.298 0.409 0.008) 0.506 56.515 ( -0.175 0.181 0.052) 0.257 ======================= Grid point 28 (21/424) ======================= q-point: (-0.13 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -27.768 21.678 15.254) 38.389 1.555 ( -8.999 29.452 -6.939) 31.568 3.380 ( 4.985 54.401 -1.617) 54.653 3.870 ( -11.614 29.186 0.611) 31.418 4.744 ( -1.287 -9.068 1.743) 9.323 5.940 ( 7.896 2.385 -7.296) 11.012 7.249 ( -6.138 -1.461 1.268) 6.435 7.384 ( -4.542 -7.230 -1.529) 8.674 7.773 ( 6.917 8.762 4.636) 12.088 7.972 ( 2.102 -1.407 -0.026) 2.530 8.076 ( -6.190 11.151 -4.298) 13.458 8.885 ( 2.778 -11.839 -0.827) 12.188 9.208 ( 7.307 3.233 -8.156) 11.418 9.704 ( 5.549 -7.953 14.044) 17.067 9.845 ( 0.060 -5.910 -13.791) 15.004 11.869 ( 3.587 -13.800 8.496) 16.598 56.155 ( -0.193 0.365 0.006) 0.413 56.511 ( -0.094 0.113 0.043) 0.153 ======================= Grid point 29 (22/424) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -0.000 22.819 -0.000) 22.819 0.967 ( -0.000 29.247 -0.000) 29.247 2.329 ( -0.000 63.718 -0.000) 63.718 3.328 ( -0.000 26.189 -0.000) 26.189 4.935 ( 0.000 -10.658 0.000) 10.658 5.957 ( 0.000 -1.292 0.000) 1.292 7.254 ( 0.000 -2.234 0.000) 2.234 7.454 ( 0.000 -2.864 0.000) 2.864 7.713 ( -0.000 3.524 -0.000) 3.524 7.765 ( -0.000 16.198 -0.000) 16.198 8.003 ( 0.000 -0.964 0.000) 0.964 9.084 ( 0.000 -8.285 0.000) 8.285 9.179 ( -0.000 2.763 -0.000) 2.763 9.808 ( 0.000 -0.003 0.000) 0.003 10.023 ( 0.000 -13.347 0.000) 13.347 12.108 ( 0.000 -9.434 0.000) 9.434 56.148 ( -0.000 0.270 -0.000) 0.270 56.510 ( -0.000 0.056 -0.000) 0.056 ======================= Grid point 32 (23/424) ======================= q-point: ( 0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( 21.907 -0.000 12.141) 25.046 1.925 ( 55.006 -0.000 -21.124) 58.923 2.451 ( 53.356 -0.000 31.637) 62.030 3.104 ( 15.598 -0.000 -2.867) 15.859 5.127 ( 1.744 -0.000 -24.175) 24.238 5.627 ( -18.002 0.000 24.052) 30.043 6.964 ( -5.705 0.000 -2.538) 6.244 7.544 ( -0.464 0.000 1.011) 1.112 7.794 ( 11.824 -0.000 -3.080) 12.218 7.821 ( -4.311 0.000 4.776) 6.434 8.119 ( 2.181 -0.000 -3.793) 4.375 8.447 ( -11.119 0.000 22.857) 25.418 9.101 ( -7.477 0.000 5.676) 9.388 9.455 ( -13.877 0.000 -14.398) 19.997 9.974 ( -17.782 0.000 14.795) 23.132 11.934 ( -5.473 0.000 -10.146) 11.527 56.162 ( 0.942 -0.000 -0.058) 0.944 56.517 ( 0.474 -0.000 -0.016) 0.474 ======================= Grid point 33 (24/424) ======================= q-point: ( 0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 17.948 -34.731 7.363) 39.782 2.413 ( 52.541 -4.366 -23.311) 57.646 2.893 ( 39.074 4.990 21.467) 44.861 3.569 ( 25.448 -25.680 6.035) 36.653 4.991 ( -1.107 5.038 -29.377) 29.826 5.554 ( -14.104 0.502 30.618) 33.714 6.973 ( -5.901 -6.631 -2.396) 9.194 7.587 ( -6.914 -6.724 -2.299) 9.915 7.780 ( 1.642 2.767 4.277) 5.352 7.888 ( 2.527 -1.499 -0.104) 2.939 8.130 ( 1.122 0.011 3.133) 3.328 8.454 ( -6.038 -4.798 7.220) 10.564 9.031 ( -8.734 1.281 5.452) 10.375 9.260 ( -16.131 1.045 -9.748) 18.876 9.829 ( -16.032 2.008 11.363) 19.752 11.780 ( -8.460 6.771 -9.735) 14.567 56.171 ( 1.066 -0.047 -0.058) 1.068 56.522 ( 0.594 0.017 0.010) 0.594 ======================= Grid point 34 (25/424) ======================= q-point: ( 0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 17.484 -31.565 5.289) 36.470 2.915 ( 50.571 -5.194 -28.095) 58.084 3.301 ( 26.224 -11.663 17.815) 33.780 4.258 ( 22.104 -17.289 -1.302) 28.093 4.879 ( 3.654 -5.691 -17.772) 19.015 5.488 ( -13.766 2.933 31.186) 34.215 7.053 ( -5.302 -9.032 -2.122) 10.687 7.519 ( -13.249 2.622 -3.689) 14.000 7.800 ( 3.809 1.272 5.301) 6.650 7.938 ( -5.414 -6.339 1.312) 8.440 8.139 ( 0.960 0.153 1.254) 1.587 8.539 ( -1.919 -6.361 1.153) 6.743 8.913 ( -12.466 1.557 4.130) 13.225 9.112 ( -8.793 -0.045 -1.779) 8.971 9.681 ( -13.166 1.580 7.199) 15.088 11.490 ( -10.728 11.868 -12.119) 20.070 56.182 ( 1.078 -0.035 -0.052) 1.080 56.528 ( 0.672 0.023 0.045) 0.673 ======================= Grid point 35 (26/424) ======================= q-point: ( 0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.766 ( 17.456 -21.575 4.696) 28.146 3.383 ( 47.567 -4.856 -28.796) 55.815 3.883 ( 18.706 -21.254 17.078) 33.065 4.395 ( 6.485 1.589 -25.461) 26.322 5.329 ( 15.811 -26.294 4.432) 30.999 5.344 ( -17.606 6.424 28.975) 34.508 7.177 ( -3.498 -10.182 -1.591) 10.883 7.301 ( -12.203 5.207 -2.871) 13.574 7.784 ( -7.484 0.216 9.574) 12.154 8.012 ( -2.369 -5.166 -0.223) 5.688 8.170 ( 6.341 0.131 -4.167) 7.589 8.598 ( -6.817 -4.184 1.559) 8.149 8.806 ( -8.313 0.494 2.755) 8.772 9.062 ( -3.788 -0.280 2.738) 4.682 9.589 ( -9.583 -1.847 5.085) 11.004 11.109 ( -12.200 14.077 -14.283) 23.474 56.192 ( 0.987 0.029 -0.044) 0.989 56.534 ( 0.671 0.045 0.081) 0.677 ======================= Grid point 36 (27/424) ======================= q-point: ( 0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.236 ( 13.175 -14.173 2.956) 19.576 3.822 ( 40.987 -5.405 -25.233) 48.434 4.121 ( 11.802 10.229 -8.832) 17.942 4.697 ( 9.933 -29.236 0.863) 30.889 5.068 ( -17.970 12.823 21.902) 31.097 5.925 ( 8.848 -24.422 3.324) 26.187 7.147 ( -6.760 0.765 0.556) 6.826 7.318 ( -3.434 -8.816 -2.025) 9.675 7.747 ( -9.782 -3.408 10.034) 14.422 8.053 ( -1.209 -1.286 1.099) 2.079 8.193 ( 4.448 2.936 -5.134) 7.400 8.608 ( -6.944 -5.712 0.081) 8.992 8.731 ( -2.811 2.868 1.094) 4.162 9.058 ( -1.325 -0.629 4.553) 4.784 9.594 ( -6.769 -5.195 4.825) 9.803 10.703 ( -12.626 13.333 -14.489) 23.391 56.199 ( 0.817 0.125 -0.036) 0.827 56.539 ( 0.581 0.098 0.101) 0.598 ======================= Grid point 37 (28/424) ======================= q-point: ( 0.47 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( 1.873 -9.334 -2.340) 9.804 3.898 ( 7.951 13.893 -3.460) 16.378 4.303 ( 39.822 -5.799 -19.649) 44.783 4.700 ( -14.849 15.020 15.671) 26.300 5.281 ( 6.974 -23.056 2.494) 24.216 6.365 ( 5.503 -17.322 2.492) 18.345 7.144 ( -2.639 -3.990 2.879) 5.583 7.376 ( -8.250 -5.438 -4.321) 10.785 7.798 ( -5.325 -5.946 7.674) 11.072 8.042 ( -1.903 3.181 -1.412) 3.966 8.125 ( -2.297 0.629 -0.080) 2.383 8.652 ( -3.684 2.990 2.963) 5.594 8.705 ( 5.232 -6.055 -4.488) 9.174 9.081 ( 0.483 -0.762 5.318) 5.394 9.648 ( -5.927 -5.725 4.582) 9.428 10.341 ( -11.590 9.790 -11.852) 19.252 56.203 ( 0.597 0.235 -0.029) 0.643 56.542 ( 0.419 0.177 0.097) 0.465 ======================= Grid point 38 (29/424) ======================= q-point: ( 0.53 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( -16.205 2.861 -8.568) 18.553 3.799 ( 12.187 9.400 13.808) 20.677 4.335 ( -9.094 13.945 10.714) 19.798 4.777 ( 39.406 -8.154 -18.451) 44.270 5.599 ( -2.380 -9.401 0.348) 9.704 6.669 ( 8.567 -8.219 4.690) 12.765 7.207 ( -4.014 -4.537 0.105) 6.059 7.388 ( -7.477 -7.419 -5.989) 12.117 7.813 ( -2.763 3.849 0.013) 4.738 7.902 ( -10.942 -0.462 0.438) 10.961 8.202 ( 0.177 -6.049 3.672) 7.079 8.540 ( -0.290 7.924 0.752) 7.965 8.895 ( 9.128 -8.280 -3.265) 12.750 9.122 ( 2.066 -0.863 4.880) 5.369 9.709 ( -5.702 -6.212 4.281) 9.457 10.095 ( -9.107 3.542 -6.305) 11.629 56.202 ( 0.363 0.340 -0.025) 0.497 56.541 ( 0.227 0.262 0.076) 0.355 ======================= Grid point 39 (30/424) ======================= q-point: (-0.40 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.207 ( -18.757 8.637 2.518) 20.803 3.729 ( 1.566 12.718 15.753) 20.307 4.096 ( -0.310 8.852 0.870) 8.900 5.254 ( 36.820 -9.670 -13.812) 40.496 5.593 ( -8.385 2.950 -0.184) 8.890 6.823 ( 8.243 1.939 5.558) 10.129 7.200 ( -7.776 -2.085 -7.127) 10.752 7.445 ( -3.957 -4.628 -2.319) 6.516 7.655 ( -6.565 4.330 -6.691) 10.325 7.899 ( -7.135 -5.247 8.680) 12.401 8.234 ( -10.892 -1.103 -6.623) 12.796 8.430 ( 8.234 7.349 6.748) 12.936 9.123 ( 13.061 -5.955 -5.446) 15.352 9.187 ( 4.476 -2.142 3.077) 5.839 9.780 ( -4.878 -5.316 1.335) 7.337 10.040 ( -7.072 -8.097 4.095) 11.504 56.197 ( 0.147 0.427 -0.021) 0.452 56.537 ( 0.054 0.327 0.051) 0.336 ======================= Grid point 40 (31/424) ======================= q-point: (-0.33 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.855 ( -20.347 12.683 10.148) 26.036 3.480 ( -1.428 18.532 8.423) 20.406 4.008 ( 1.376 2.753 0.942) 3.218 5.379 ( -8.314 11.064 -0.794) 13.863 5.708 ( 31.930 -7.723 -10.671) 34.540 6.750 ( 3.399 16.236 5.529) 17.485 7.111 ( -8.732 -0.366 -7.248) 11.354 7.443 ( -4.818 0.465 -0.787) 4.904 7.526 ( -7.014 -0.810 -3.727) 7.984 7.966 ( -6.399 -5.220 5.999) 10.207 8.129 ( -5.276 -2.940 -8.466) 10.399 8.414 ( 5.080 5.362 5.903) 9.455 9.268 ( 10.182 -0.251 -4.542) 11.152 9.316 ( 9.590 -3.385 -1.487) 10.278 9.780 ( -4.338 -0.687 -3.052) 5.348 10.296 ( -3.467 -21.958 12.737) 25.621 56.190 ( -0.019 0.487 -0.014) 0.487 56.531 ( -0.060 0.352 0.035) 0.359 ======================= Grid point 41 (32/424) ======================= q-point: (-0.27 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -19.606 17.907 12.152) 29.202 3.103 ( -2.002 23.833 0.685) 23.927 4.024 ( 0.435 -2.978 3.182) 4.380 5.064 ( -5.345 16.689 -0.469) 17.530 6.017 ( 22.171 -0.502 -10.253) 24.433 6.310 ( -2.445 34.345 1.706) 34.474 7.057 ( -6.017 -3.790 -3.271) 7.828 7.324 ( -10.495 1.677 2.038) 10.822 7.620 ( 3.567 -10.022 -0.231) 10.640 7.982 ( -8.185 -5.662 -2.087) 10.169 8.185 ( 5.490 0.067 1.352) 5.654 8.383 ( -1.848 -0.872 0.198) 2.053 9.322 ( 8.265 2.096 -6.437) 10.684 9.445 ( 8.431 -1.257 1.085) 8.593 9.733 ( -4.354 -0.561 -3.838) 5.831 10.747 ( 0.498 -25.066 11.617) 27.631 56.180 ( -0.108 0.514 -0.005) 0.525 56.524 ( -0.100 0.331 0.028) 0.347 ======================= Grid point 42 (33/424) ======================= q-point: (-0.20 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -14.173 22.233 8.958) 27.846 2.610 ( -2.585 28.814 -2.234) 29.016 4.128 ( 0.583 -6.367 2.411) 6.833 4.695 ( -1.779 21.230 0.857) 21.322 5.561 ( -4.464 44.735 -1.413) 44.979 6.092 ( 9.977 5.147 -6.761) 13.105 7.107 ( -2.760 -6.804 -2.019) 7.615 7.232 ( -6.909 0.054 2.654) 7.401 7.851 ( 6.227 -6.081 2.456) 9.044 8.049 ( -4.536 -10.544 -2.709) 11.794 8.150 ( 4.453 8.491 3.379) 10.166 8.453 ( -3.189 -9.314 -2.817) 10.240 9.322 ( 5.156 2.955 -5.243) 7.925 9.513 ( 3.855 0.155 2.848) 4.796 9.727 ( -1.614 -3.269 -3.475) 5.036 11.215 ( 1.617 -22.999 6.822) 24.044 56.170 ( -0.104 0.505 0.000) 0.516 56.518 ( -0.072 0.270 0.021) 0.280 ======================= Grid point 43 (34/424) ======================= q-point: (-0.13 0.13 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -0.000 24.540 -0.000) 24.540 2.054 ( -0.000 31.281 -0.000) 31.281 4.153 ( -0.000 15.366 -0.000) 15.366 4.281 ( -0.000 25.109 -0.000) 25.109 4.792 ( -0.000 27.744 -0.000) 27.744 6.033 ( -0.000 4.881 -0.000) 4.881 7.196 ( 0.000 -2.294 0.000) 2.294 7.232 ( 0.000 -6.068 0.000) 6.068 7.927 ( -0.000 0.088 -0.000) 0.088 8.008 ( -0.000 7.815 -0.000) 7.815 8.164 ( -0.000 0.418 -0.000) 0.418 8.645 ( 0.000 -14.492 0.000) 14.492 9.287 ( -0.000 3.066 -0.000) 3.066 9.586 ( 0.000 -6.972 0.000) 6.972 9.770 ( 0.000 -2.456 0.000) 2.456 11.607 ( 0.000 -18.916 0.000) 18.916 56.161 ( -0.000 0.456 -0.000) 0.456 56.514 ( -0.000 0.190 -0.000) 0.190 ======================= Grid point 48 (35/424) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 25.679 -0.000 12.268) 28.459 2.801 ( 50.234 -0.000 -20.224) 54.152 3.389 ( 16.300 -0.000 -5.038) 17.061 3.598 ( 48.863 -0.000 30.239) 57.463 4.899 ( -6.012 0.000 -35.753) 36.255 5.552 ( -8.623 0.000 33.007) 34.115 6.863 ( -4.189 0.000 0.282) 4.198 7.428 ( -9.781 0.000 -1.260) 9.862 7.817 ( -0.409 0.000 1.860) 1.904 7.887 ( -6.241 0.000 8.293) 10.379 8.150 ( 3.157 -0.000 -1.000) 3.311 8.387 ( -0.139 0.000 -4.056) 4.058 8.940 ( -16.470 0.000 2.017) 16.593 9.115 ( -9.543 0.000 -3.224) 10.073 9.725 ( -15.108 0.000 8.298) 17.237 11.732 ( -10.903 0.000 -6.283) 12.584 56.182 ( 1.204 -0.000 -0.066) 1.205 56.529 ( 0.710 -0.000 0.072) 0.714 ======================= Grid point 49 (36/424) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 22.391 -26.471 9.414) 35.926 3.229 ( 46.462 -2.836 -18.944) 50.256 3.506 ( 21.397 0.253 -1.772) 21.471 4.270 ( 37.076 -13.585 22.325) 45.361 4.732 ( -5.584 -1.033 -33.570) 34.047 5.546 ( -6.922 3.430 31.917) 32.838 6.881 ( -3.472 -5.360 1.347) 6.527 7.364 ( -13.354 -3.098 -0.932) 13.741 7.795 ( -12.702 -0.139 7.615) 14.811 7.823 ( -3.969 -1.581 -1.024) 4.393 8.161 ( 3.803 1.329 -2.526) 4.755 8.439 ( 2.503 -5.089 -6.623) 8.720 8.771 ( -18.668 -0.892 3.018) 18.931 9.064 ( -1.830 0.105 0.423) 1.882 9.601 ( -12.505 1.129 5.213) 13.595 11.531 ( -12.987 7.661 -6.892) 16.579 56.193 ( 1.227 0.018 -0.062) 1.229 56.536 ( 0.792 0.040 0.121) 0.802 ======================= Grid point 50 (37/424) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( 18.144 -28.274 4.802) 33.936 3.664 ( 43.564 -4.283 -20.818) 48.473 3.797 ( 18.639 -12.240 1.315) 22.338 4.507 ( 9.034 6.915 -20.080) 23.079 4.993 ( 11.402 -22.762 11.745) 28.036 5.471 ( -4.798 7.717 25.200) 26.788 6.987 ( -1.554 -8.617 2.529) 9.114 7.230 ( -15.086 1.811 -0.332) 15.198 7.687 ( -15.610 -1.377 6.984) 17.157 7.850 ( -5.792 -6.964 -5.544) 10.619 8.196 ( 5.896 -1.193 -4.194) 7.333 8.500 ( -3.586 -2.060 -0.966) 4.247 8.685 ( -10.196 -4.469 2.870) 11.496 9.062 ( 1.138 0.378 1.844) 2.200 9.496 ( -8.775 0.061 3.080) 9.300 11.194 ( -14.404 12.796 -8.883) 21.216 56.203 ( 1.140 0.091 -0.054) 1.145 56.542 ( 0.798 0.094 0.154) 0.819 ======================= Grid point 51 (38/424) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( 11.259 -18.597 -2.843) 21.924 4.057 ( 38.177 -3.122 -22.669) 44.510 4.299 ( 10.590 -25.536 0.233) 27.646 4.430 ( 17.290 8.452 -5.053) 19.898 5.200 ( -13.577 8.595 24.951) 29.678 5.591 ( 9.358 -18.995 -0.452) 21.180 7.077 ( -9.721 -0.594 1.174) 9.809 7.160 ( 0.167 -7.767 4.067) 8.769 7.602 ( -13.040 -3.181 6.277) 14.817 7.905 ( -9.533 -8.402 -4.399) 13.447 8.247 ( 3.089 0.971 -5.991) 6.810 8.473 ( -6.161 -2.685 2.028) 7.020 8.715 ( -1.385 -3.226 0.613) 3.564 9.079 ( 2.349 0.604 4.264) 4.906 9.466 ( -5.308 -3.282 2.255) 6.636 10.782 ( -15.143 14.243 -10.147) 23.133 56.210 ( 0.966 0.200 -0.044) 0.988 56.548 ( 0.710 0.170 0.164) 0.749 ======================= Grid point 52 (39/424) ======================= q-point: ( 0.47 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( -1.457 -9.635 -11.281) 14.907 4.244 ( 17.601 9.179 -2.165) 19.969 4.539 ( 32.713 -1.724 -14.192) 35.700 4.834 ( -4.346 -4.824 16.288) 17.534 5.001 ( 7.115 -5.629 4.573) 10.160 6.023 ( 1.883 -24.182 -1.922) 24.331 7.057 ( -4.595 -3.598 4.459) 7.345 7.237 ( -6.551 -2.250 1.443) 7.075 7.646 ( -3.569 -8.516 5.878) 10.946 7.934 ( -11.294 -7.123 -1.978) 13.498 8.142 ( -5.264 6.049 -7.508) 10.985 8.535 ( -1.903 -6.091 3.915) 7.487 8.768 ( 6.772 -0.724 -3.118) 7.490 9.112 ( 3.193 0.300 6.353) 7.117 9.507 ( -4.578 -5.195 2.626) 7.405 10.374 ( -14.815 11.893 -9.540) 21.259 56.214 ( 0.738 0.321 -0.036) 0.805 56.550 ( 0.543 0.265 0.146) 0.622 ======================= Grid point 53 (40/424) ======================= q-point: ( 0.53 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.324 ( -12.463 -2.443 -10.720) 16.619 4.195 ( 15.593 14.314 10.678) 23.708 4.541 ( -5.970 13.736 9.991) 18.004 4.967 ( 35.916 -5.694 -16.213) 39.815 5.369 ( 1.519 -14.955 0.331) 15.035 6.486 ( 6.555 -22.805 2.706) 23.882 7.086 ( -8.244 -2.657 3.567) 9.368 7.216 ( -4.181 -4.757 -1.403) 6.487 7.762 ( -3.338 -3.727 5.593) 7.504 7.896 ( -8.185 4.079 -6.611) 11.284 8.005 ( -9.916 -6.440 -3.514) 12.334 8.611 ( -0.482 -1.367 5.028) 5.232 8.878 ( 12.254 -3.710 -5.353) 13.878 9.160 ( 3.815 0.220 6.883) 7.873 9.564 ( -5.321 -5.331 3.367) 8.251 10.054 ( -12.931 6.235 -6.955) 15.952 56.213 ( 0.492 0.434 -0.029) 0.656 56.549 ( 0.340 0.358 0.110) 0.506 ======================= Grid point 54 (41/424) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.157 ( -14.818 3.628 -2.209) 15.415 4.078 ( 7.371 16.257 14.253) 22.843 4.288 ( 0.645 12.326 0.508) 12.353 5.389 ( 31.943 -8.914 -10.420) 34.761 5.515 ( -3.392 -4.094 -3.031) 6.119 6.878 ( 7.752 -8.389 10.049) 15.213 7.041 ( -8.656 -4.456 -7.690) 12.406 7.311 ( -0.610 -6.819 0.285) 6.852 7.674 ( -7.643 6.219 -8.331) 12.903 7.788 ( -5.625 -1.749 8.763) 10.559 8.032 ( -13.018 -6.855 -5.944) 15.868 8.617 ( 4.847 3.747 4.603) 7.663 9.095 ( 12.839 -8.380 -4.978) 16.120 9.220 ( 5.304 -0.709 4.806) 7.193 9.617 ( -6.694 -6.113 4.447) 10.097 9.883 ( -10.457 -1.102 -2.787) 10.878 56.208 ( 0.265 0.522 -0.023) 0.586 56.545 ( 0.154 0.425 0.069) 0.457 ======================= Grid point 55 (42/424) ======================= q-point: (-0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -12.335 9.035 4.125) 15.837 3.838 ( 1.186 18.557 9.935) 21.082 4.125 ( 3.010 8.551 -1.866) 9.255 5.445 ( -6.220 4.391 -0.507) 7.631 5.822 ( 28.698 -8.949 -8.400) 31.212 6.946 ( -9.095 -2.749 4.379) 10.462 7.044 ( 6.525 5.995 -2.686) 9.259 7.401 ( -1.746 -2.966 1.204) 3.646 7.482 ( -6.597 4.744 -8.032) 11.425 7.817 ( -8.745 -5.069 8.319) 13.091 7.976 ( -7.489 -3.556 -7.676) 11.298 8.596 ( 5.053 6.036 4.343) 8.990 9.309 ( 6.213 -3.772 2.823) 7.798 9.347 ( 13.463 -3.656 -7.939) 16.051 9.677 ( -6.469 -5.403 0.928) 8.479 9.917 ( -8.620 -15.341 6.166) 18.646 56.200 ( 0.091 0.577 -0.015) 0.584 56.538 ( 0.028 0.447 0.037) 0.450 ======================= Grid point 56 (43/424) ======================= q-point: (-0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -7.956 15.248 4.620) 17.809 3.510 ( 0.317 21.762 3.132) 21.988 4.032 ( 0.732 3.143 -0.071) 3.228 5.261 ( -3.310 10.714 -0.330) 11.218 6.148 ( 16.519 -3.782 -5.064) 17.687 6.848 ( 3.991 23.559 1.942) 23.974 6.923 ( -7.217 -3.939 0.177) 8.224 7.289 ( -7.474 3.854 -1.287) 8.507 7.479 ( 0.847 -6.711 -1.159) 6.862 7.821 ( -6.539 -3.782 -0.247) 7.558 8.063 ( -0.397 -9.966 -1.329) 10.062 8.512 ( 2.185 8.338 2.406) 8.949 9.398 ( 4.709 0.837 -1.523) 5.020 9.484 ( 8.114 -3.676 -1.479) 9.030 9.662 ( -6.053 -0.537 -1.786) 6.333 10.294 ( -2.093 -27.385 5.916) 28.095 56.190 ( -0.003 0.591 -0.006) 0.591 56.530 ( -0.022 0.422 0.016) 0.423 ======================= Grid point 57 (44/424) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -0.000 20.391 -0.000) 20.391 3.090 ( -0.000 26.224 -0.000) 26.224 4.038 ( 0.000 -3.291 0.000) 3.291 5.011 ( -0.000 15.798 -0.000) 15.798 6.189 ( -0.000 9.966 -0.000) 9.966 6.323 ( -0.000 32.058 -0.000) 32.058 6.979 ( 0.000 -5.795 0.000) 5.795 7.212 ( -0.000 1.214 -0.000) 1.214 7.702 ( 0.000 -16.546 0.000) 16.546 7.845 ( 0.000 -3.026 0.000) 3.026 8.252 ( 0.000 -10.781 0.000) 10.781 8.362 ( -0.000 9.916 -0.000) 9.916 9.384 ( -0.000 2.324 -0.000) 2.324 9.580 ( -0.000 3.095 -0.000) 3.095 9.629 ( 0.000 -5.336 0.000) 5.336 10.786 ( 0.000 -27.003 0.000) 27.003 56.179 ( -0.000 0.567 -0.000) 0.567 56.523 ( -0.000 0.357 -0.000) 0.357 ======================= Grid point 64 (45/424) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 26.112 -0.000 12.378) 28.897 3.580 ( 43.551 -0.000 -17.775) 47.039 3.641 ( 13.738 -0.000 -7.451) 15.629 4.504 ( 5.160 -0.000 -13.561) 14.509 4.664 ( 26.815 -0.000 5.405) 27.354 5.626 ( -2.994 0.000 30.967) 31.111 6.812 ( -2.383 0.000 3.458) 4.200 7.215 ( -11.429 0.000 -0.568) 11.443 7.618 ( -24.426 0.000 4.544) 24.845 7.777 ( -3.020 0.000 -4.770) 5.646 8.230 ( 4.385 -0.000 2.637) 5.117 8.369 ( 1.192 -0.000 -12.901) 12.955 8.600 ( -16.375 0.000 5.255) 17.198 9.070 ( 2.520 -0.000 -0.681) 2.611 9.517 ( -10.011 0.000 3.723) 10.681 11.451 ( -15.434 0.000 -5.372) 16.343 56.205 ( 1.260 -0.000 -0.063) 1.262 56.544 ( 0.865 -0.000 0.183) 0.884 ======================= Grid point 65 (46/424) ======================= q-point: ( 0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( 22.685 -19.603 10.037) 31.617 3.770 ( 11.490 -4.551 -7.590) 14.503 3.949 ( 39.181 -2.826 -18.194) 43.291 4.448 ( -2.905 -6.445 -32.024) 32.795 5.027 ( 22.716 -1.184 27.980) 36.059 5.655 ( 3.053 5.809 25.001) 25.848 6.859 ( -0.817 -5.780 4.859) 7.595 7.107 ( -13.163 0.340 0.925) 13.200 7.440 ( -22.387 -6.091 -0.440) 23.205 7.721 ( -5.276 0.074 -6.781) 8.592 8.232 ( 2.651 1.330 -0.011) 2.966 8.422 ( -0.659 -4.815 -4.973) 6.953 8.503 ( -11.640 -3.622 4.059) 12.849 9.101 ( 5.221 0.462 -1.283) 5.396 9.441 ( -6.341 0.585 2.555) 6.862 11.210 ( -17.084 7.618 -6.122) 19.682 56.216 ( 1.179 0.081 -0.056) 1.183 56.553 ( 0.865 0.079 0.216) 0.896 ======================= Grid point 66 (47/424) ======================= q-point: ( 0.40 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( 14.644 -19.381 2.001) 24.374 3.986 ( 6.145 -14.576 -11.678) 19.662 4.314 ( 35.843 -3.928 -16.509) 39.657 4.552 ( 9.126 -9.708 -13.857) 19.223 5.201 ( -4.604 0.857 27.194) 27.595 5.637 ( 11.108 8.278 8.968) 16.503 6.958 ( -8.810 -2.721 1.917) 9.418 7.056 ( 1.068 -7.169 7.737) 10.601 7.387 ( -17.427 -7.508 -0.470) 18.981 7.665 ( -8.078 -4.109 -5.849) 10.787 8.259 ( 1.145 -0.702 -2.424) 2.771 8.381 ( -7.879 -0.860 -0.480) 7.940 8.594 ( -1.430 -8.711 1.614) 8.974 9.141 ( 6.387 1.101 0.387) 6.493 9.402 ( -2.523 -0.525 1.211) 2.847 10.844 ( -17.774 12.409 -7.054) 22.796 56.223 ( 1.005 0.204 -0.047) 1.026 56.559 ( 0.774 0.185 0.215) 0.824 ======================= Grid point 67 (48/424) ======================= q-point: ( 0.47 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 0.824 -8.213 -10.593) 13.429 4.338 ( 9.428 -17.128 -8.124) 21.172 4.663 ( 28.327 -5.538 -8.733) 30.155 4.826 ( 15.052 -3.194 8.593) 17.625 5.131 ( -3.831 2.857 12.891) 13.748 5.678 ( 2.524 -7.329 -3.906) 8.680 6.950 ( -5.911 -4.296 5.746) 9.296 7.171 ( -4.907 -0.271 3.987) 6.328 7.421 ( -8.416 -12.886 0.585) 15.402 7.691 ( -6.927 -7.331 -1.001) 10.135 8.164 ( -6.275 5.045 -7.610) 11.079 8.422 ( -1.978 -6.596 2.945) 7.490 8.746 ( 3.444 -6.888 -0.183) 7.703 9.186 ( 6.702 1.384 3.733) 7.795 9.415 ( -1.085 -2.300 0.021) 2.543 10.425 ( -17.349 13.162 -6.835) 22.824 56.227 ( 0.770 0.341 -0.037) 0.843 56.561 ( 0.600 0.305 0.182) 0.697 ======================= Grid point 68 (49/424) ======================= q-point: ( 0.53 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -8.027 -2.975 -11.916) 14.672 4.578 ( 16.764 5.027 2.428) 17.669 4.752 ( -4.242 12.198 10.203) 16.459 5.013 ( 10.914 -13.232 0.702) 17.167 5.290 ( 23.532 -1.917 -7.224) 24.690 6.030 ( 1.839 -31.117 -2.635) 31.282 6.990 ( -8.609 -1.647 9.512) 12.935 7.102 ( -5.474 -2.876 -0.749) 6.229 7.573 ( -11.566 -13.014 -4.603) 18.009 7.755 ( -1.838 -2.353 5.641) 6.383 7.983 ( -4.921 5.525 -8.739) 11.451 8.540 ( -0.418 -6.686 3.087) 7.376 8.898 ( 7.540 -5.043 -2.698) 9.463 9.239 ( 6.169 1.319 6.484) 9.046 9.452 ( -1.970 -3.367 -0.092) 3.902 10.044 ( -15.429 9.710 -5.280) 18.979 56.226 ( 0.515 0.469 -0.027) 0.697 56.560 ( 0.388 0.416 0.129) 0.583 ======================= Grid point 69 (50/424) ======================= q-point: ( 0.60 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.057 ( -9.283 -0.234 -5.621) 10.854 4.466 ( 0.595 16.536 9.655) 19.158 4.558 ( 9.165 14.160 1.822) 16.965 5.295 ( -2.548 -12.454 1.385) 12.787 5.549 ( 26.202 -5.107 -12.383) 29.427 6.649 ( 8.577 -29.080 2.032) 30.386 6.889 ( -12.402 0.715 4.151) 13.098 7.199 ( 0.403 -7.327 2.365) 7.709 7.611 ( -13.799 -5.727 -6.713) 16.379 7.721 ( -7.008 1.300 4.305) 8.327 7.874 ( 0.410 2.369 -5.903) 6.374 8.653 ( 1.379 -4.051 2.962) 5.204 9.063 ( 9.543 -6.264 -4.138) 12.142 9.288 ( 4.708 1.118 6.789) 8.337 9.494 ( -2.677 -3.582 1.218) 4.635 9.783 ( -12.425 3.274 -3.483) 13.313 56.220 ( 0.278 0.567 -0.019) 0.631 56.555 ( 0.191 0.492 0.073) 0.533 ======================= Grid point 70 (51/424) ======================= q-point: (-0.33 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -5.728 3.448 -0.221) 6.690 4.186 ( -0.318 17.223 5.159) 17.982 4.365 ( 4.517 14.781 0.059) 15.456 5.407 ( -3.306 -3.711 -0.180) 4.973 5.871 ( 18.339 -8.952 -5.931) 21.251 6.799 ( -9.396 -1.834 1.308) 9.662 7.117 ( 8.922 -11.816 1.783) 14.913 7.327 ( 1.553 -3.870 3.969) 5.757 7.483 ( -8.283 3.784 -8.429) 12.409 7.683 ( -7.753 -3.286 4.619) 9.604 7.845 ( -1.887 -1.970 -3.666) 4.570 8.708 ( 2.155 1.014 1.755) 2.959 9.287 ( 9.215 -8.021 -2.794) 12.532 9.351 ( 4.423 -5.008 0.425) 6.695 9.523 ( -4.393 -1.958 4.895) 6.862 9.680 ( -8.678 -4.256 -1.630) 9.801 56.211 ( 0.097 0.622 -0.009) 0.629 56.547 ( 0.055 0.518 0.028) 0.521 ======================= Grid point 71 (52/424) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( -0.000 9.315 -0.000) 9.315 3.877 ( -0.000 18.873 -0.000) 18.873 4.155 ( -0.000 10.227 -0.000) 10.227 5.380 ( -0.000 4.489 -0.000) 4.489 6.119 ( 0.000 -8.513 0.000) 8.513 6.804 ( 0.000 -4.015 0.000) 4.015 7.190 ( -0.000 10.067 -0.000) 10.067 7.316 ( -0.000 4.685 -0.000) 4.685 7.407 ( 0.000 -2.927 0.000) 2.927 7.720 ( 0.000 -4.103 0.000) 4.103 7.905 ( 0.000 -6.546 0.000) 6.546 8.658 ( -0.000 5.961 -0.000) 5.961 9.400 ( 0.000 -3.713 0.000) 3.713 9.485 ( -0.000 0.667 -0.000) 0.667 9.585 ( 0.000 -6.488 0.000) 6.488 9.833 ( 0.000 -21.030 0.000) 21.030 56.200 ( -0.000 0.629 -0.000) 0.629 56.539 ( -0.000 0.490 -0.000) 0.490 ======================= Grid point 80 (53/424) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 23.893 -0.000 12.182) 26.819 3.807 ( 8.661 -0.000 -9.542) 12.887 4.107 ( 5.265 -0.000 -22.493) 23.101 4.352 ( 25.074 -0.000 -25.375) 35.674 5.274 ( 7.793 -0.000 30.057) 31.051 5.872 ( 15.803 -0.000 21.847) 26.963 6.806 ( -1.599 0.000 5.240) 5.479 7.019 ( -8.612 0.000 1.597) 8.759 7.139 ( -22.812 0.000 -4.436) 23.240 7.660 ( -5.002 0.000 -8.564) 9.917 8.256 ( -7.826 0.000 0.345) 7.833 8.328 ( 3.868 -0.000 3.331) 5.104 8.398 ( -7.954 0.000 -3.020) 8.509 9.164 ( 8.284 -0.000 -2.989) 8.807 9.408 ( -3.291 0.000 2.495) 4.130 11.089 ( -19.405 0.000 -5.863) 20.271 56.227 ( 1.102 -0.000 -0.052) 1.103 56.562 ( 0.853 -0.000 0.246) 0.888 ======================= Grid point 81 (54/424) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 18.869 -12.560 8.668) 24.268 3.831 ( 2.452 -2.828 -14.556) 15.029 4.199 ( 0.279 -17.691 -19.456) 26.298 4.604 ( 31.747 -1.135 -14.314) 34.843 5.319 ( -5.127 4.862 26.710) 27.629 5.989 ( 15.778 11.254 13.115) 23.401 6.847 ( -5.490 -2.660 2.089) 6.448 6.953 ( -3.848 -6.275 5.047) 8.925 7.072 ( -11.271 -8.129 -1.282) 13.956 7.568 ( -6.063 1.094 -7.739) 9.892 8.212 ( -5.382 -3.066 3.360) 7.047 8.299 ( -8.161 1.487 -5.493) 9.949 8.442 ( 1.534 -7.333 2.331) 7.846 9.238 ( 10.634 0.931 -2.543) 10.974 9.394 ( -0.432 0.299 2.075) 2.140 10.819 ( -20.593 6.856 -6.288) 22.597 56.236 ( 0.928 0.132 -0.043) 0.938 56.569 ( 0.749 0.126 0.235) 0.795 ======================= Grid point 82 (55/424) ======================= q-point: ( 0.47 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 5.102 -5.346 -4.575) 8.692 4.030 ( 6.425 -19.726 -5.231) 21.396 4.589 ( 5.448 -27.640 -12.100) 30.661 4.873 ( 25.512 -1.756 -7.531) 26.659 5.194 ( -7.895 8.538 18.581) 21.920 5.876 ( 8.934 15.241 3.654) 18.040 6.844 ( -4.416 -3.291 5.079) 7.492 7.063 ( -14.611 -9.111 -3.689) 17.610 7.168 ( 3.282 -4.770 6.020) 8.353 7.534 ( -2.544 -6.128 -1.023) 6.713 8.159 ( -7.467 3.790 -6.682) 10.713 8.274 ( -4.008 -7.369 2.485) 8.749 8.614 ( 1.664 -9.568 1.328) 9.802 9.314 ( 12.039 2.345 0.590) 12.279 9.399 ( 1.060 -0.047 0.167) 1.075 10.447 ( -20.218 10.674 -5.905) 23.613 56.239 ( 0.689 0.287 -0.032) 0.747 56.573 ( 0.566 0.273 0.187) 0.656 ======================= Grid point 83 (56/424) ======================= q-point: ( 0.53 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.020 ( -3.710 -0.511 -9.250) 9.979 4.497 ( 8.538 -21.953 -0.310) 23.557 4.948 ( -0.506 8.426 4.815) 9.718 5.074 ( 13.474 3.297 1.916) 14.003 5.247 ( 7.639 -33.011 -0.543) 33.888 5.720 ( 6.183 7.076 -4.379) 10.367 6.901 ( -5.171 -4.253 10.449) 12.410 7.004 ( -9.520 -1.029 -4.196) 10.454 7.258 ( -6.548 -7.969 -3.014) 10.745 7.707 ( 3.843 -7.826 6.196) 10.696 7.996 ( -5.991 4.642 -7.361) 10.566 8.397 ( -1.827 -8.761 1.218) 9.032 8.808 ( 2.639 -9.554 0.096) 9.912 9.371 ( 7.574 3.577 7.322) 11.125 9.419 ( 4.666 -0.399 -5.166) 6.973 10.058 ( -17.751 10.428 -4.205) 21.012 56.238 ( 0.427 0.434 -0.021) 0.609 56.571 ( 0.345 0.410 0.119) 0.549 ======================= Grid point 84 (57/424) ======================= q-point: ( 0.60 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -3.971 -0.572 -4.652) 6.143 4.730 ( -1.627 13.436 3.437) 13.964 4.873 ( 13.020 -2.911 -0.192) 13.343 5.056 ( -5.739 -1.261 3.695) 6.942 5.660 ( 14.824 -1.613 -6.116) 16.117 6.080 ( 3.300 -40.318 -0.427) 40.455 6.836 ( -8.998 2.892 5.521) 10.946 7.060 ( -0.348 -8.506 0.300) 8.518 7.327 ( -7.553 -8.487 -3.660) 11.936 7.776 ( -1.066 5.324 3.322) 6.365 7.901 ( 0.305 -0.411 -4.394) 4.423 8.546 ( -0.194 -8.470 0.973) 8.528 8.993 ( 3.124 -8.245 -1.033) 8.878 9.375 ( 1.171 2.326 5.479) 6.066 9.468 ( 7.250 0.118 -2.715) 7.743 9.749 ( -12.648 6.857 -2.038) 14.531 56.232 ( 0.185 0.548 -0.010) 0.579 56.566 ( 0.141 0.506 0.051) 0.528 ======================= Grid point 85 (58/424) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.948 ( 0.000 -0.014 0.000) 0.014 4.474 ( -0.000 15.230 -0.000) 15.230 4.693 ( -0.000 18.246 -0.000) 18.246 5.247 ( 0.000 -12.453 0.000) 12.453 5.806 ( 0.000 -6.938 0.000) 6.938 6.753 ( -0.000 1.593 -0.000) 1.593 6.765 ( 0.000 -31.698 0.000) 31.698 7.234 ( 0.000 -10.083 0.000) 10.083 7.397 ( 0.000 -4.438 0.000) 4.438 7.664 ( -0.000 4.648 -0.000) 4.648 7.870 ( -0.000 3.646 -0.000) 3.646 8.676 ( 0.000 -5.431 0.000) 5.431 9.154 ( 0.000 -8.850 0.000) 8.850 9.350 ( -0.000 1.674 -0.000) 1.674 9.542 ( 0.000 -3.606 0.000) 3.606 9.575 ( -0.000 4.274 -0.000) 4.274 56.223 ( -0.000 0.613 -0.000) 0.613 56.557 ( -0.000 0.542 -0.000) 0.542 ======================= Grid point 97 (59/424) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 18.923 -0.000 11.085) 21.931 3.853 ( 2.270 -0.000 -10.131) 10.382 3.874 ( -6.140 0.000 -22.498) 23.321 4.844 ( 27.766 -0.000 -10.917) 29.835 5.371 ( -8.127 0.000 21.649) 23.124 6.292 ( 11.057 -0.000 10.741) 15.415 6.760 ( -5.070 0.000 1.312) 5.237 6.834 ( -3.987 0.000 -2.366) 4.637 6.970 ( 0.457 -0.000 8.126) 8.139 7.502 ( -5.745 0.000 -10.143) 11.657 8.109 ( -9.500 0.000 4.461) 10.495 8.233 ( -6.157 0.000 -5.447) 8.220 8.406 ( 2.503 -0.000 2.409) 3.474 9.354 ( 13.913 -0.000 -6.065) 15.177 9.411 ( 1.625 -0.000 5.898) 6.117 10.656 ( -22.603 0.000 -6.510) 23.521 56.245 ( 0.752 -0.000 -0.034) 0.753 56.578 ( 0.631 -0.000 0.212) 0.666 ======================= Grid point 98 (60/424) ======================= q-point: ( 0.47 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( 9.481 -1.229 3.381) 10.140 3.789 ( 2.429 -9.522 -6.714) 11.901 4.093 ( -2.482 -22.593 -12.238) 25.814 5.053 ( 20.244 -0.475 -6.648) 21.312 5.300 ( -6.691 5.046 13.383) 15.790 6.228 ( 4.075 13.365 4.171) 14.582 6.787 ( -6.858 -6.031 1.002) 9.188 6.812 ( -0.041 0.253 0.472) 0.537 7.136 ( 6.150 -8.409 8.723) 13.588 7.415 ( -5.347 -1.224 -7.181) 9.036 8.075 ( -8.321 -3.396 -0.865) 9.029 8.165 ( -3.775 -0.367 -1.166) 3.968 8.488 ( 1.513 -6.153 1.514) 6.514 9.413 ( 2.951 0.074 -2.753) 4.037 9.499 ( 15.850 2.249 4.009) 16.503 10.370 ( -22.799 5.406 -6.149) 24.224 56.249 ( 0.510 0.166 -0.023) 0.537 56.582 ( 0.437 0.164 0.152) 0.491 ======================= Grid point 99 (61/424) ======================= q-point: ( 0.53 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( -0.200 3.561 -3.738) 5.166 4.158 ( 5.528 -22.582 1.741) 23.314 4.569 ( -0.481 -36.674 -6.223) 37.201 5.120 ( -0.716 7.285 3.995) 8.340 5.232 ( 7.883 1.363 -0.320) 8.006 6.009 ( 3.691 15.327 0.739) 15.782 6.819 ( -5.348 -3.575 8.248) 10.460 6.842 ( -2.116 -4.817 -6.809) 8.605 7.198 ( -0.711 2.804 0.142) 2.897 7.558 ( 2.192 -13.731 2.866) 14.197 8.001 ( -4.419 3.080 -3.884) 6.641 8.225 ( -1.848 -8.085 0.851) 8.337 8.646 ( 0.816 -9.768 0.595) 9.820 9.421 ( 0.849 0.513 -0.117) 0.999 9.604 ( 16.962 5.200 2.302) 17.890 10.031 ( -19.744 7.465 -4.335) 21.548 56.248 ( 0.245 0.331 -0.011) 0.412 56.581 ( 0.208 0.327 0.074) 0.395 ======================= Grid point 100 (62/424) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -0.000 1.589 -0.000) 1.589 4.589 ( 0.000 -22.536 0.000) 22.536 4.946 ( -0.000 11.162 -0.000) 11.162 5.199 ( 0.000 -0.264 0.000) 0.264 5.320 ( 0.000 -37.057 0.000) 37.057 5.801 ( -0.000 8.890 -0.000) 8.890 6.838 ( -0.000 0.345 -0.000) 0.345 6.919 ( 0.000 -6.592 0.000) 6.592 7.184 ( 0.000 -3.168 0.000) 3.168 7.796 ( 0.000 -9.652 0.000) 9.652 7.890 ( -0.000 5.874 -0.000) 5.874 8.380 ( 0.000 -9.692 0.000) 9.692 8.835 ( 0.000 -10.456 0.000) 10.456 9.410 ( -0.000 1.112 -0.000) 1.112 9.600 ( -0.000 6.766 -0.000) 6.766 9.782 ( -0.000 6.436 -0.000) 6.436 56.242 ( -0.000 0.466 -0.000) 0.466 56.575 ( -0.000 0.450 -0.000) 0.450 ======================= Grid point 114 (63/424) ======================= q-point: ( 0.47 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( 8.698 -0.000 6.034) 10.586 3.693 ( -2.821 0.000 -8.262) 8.730 3.801 ( -1.373 0.000 -5.861) 6.020 5.192 ( 12.775 -0.000 -4.047) 13.400 5.313 ( -5.864 0.000 7.340) 9.395 6.364 ( -1.204 0.000 0.720) 1.403 6.688 ( -2.249 0.000 0.180) 2.256 6.916 ( 5.301 -0.000 2.638) 5.921 7.059 ( 2.545 -0.000 7.076) 7.520 7.349 ( -3.932 0.000 -7.379) 8.361 7.970 ( -5.077 0.000 0.608) 5.114 8.130 ( -2.637 0.000 -1.016) 2.826 8.447 ( 0.856 -0.000 0.860) 1.214 9.429 ( 1.415 -0.000 -0.947) 1.702 9.707 ( 20.372 -0.000 4.116) 20.784 10.178 ( -23.483 0.000 -5.979) 24.232 56.254 ( 0.267 -0.000 -0.012) 0.267 56.587 ( 0.233 -0.000 0.084) 0.248 ======================= Grid point 115 (64/424) ======================= q-point: ( 0.53 0.47 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( -0.000 6.538 -0.000) 6.538 3.838 ( 0.000 -16.632 0.000) 16.632 3.997 ( 0.000 -23.250 0.000) 23.250 5.236 ( -0.000 4.643 -0.000) 4.643 5.269 ( 0.000 -0.412 0.000) 0.412 6.264 ( -0.000 10.426 -0.000) 10.426 6.713 ( 0.000 -3.804 0.000) 3.804 6.840 ( -0.000 4.154 -0.000) 4.154 7.273 ( -0.000 4.360 -0.000) 4.360 7.298 ( 0.000 -15.865 0.000) 15.865 7.981 ( 0.000 -2.360 0.000) 2.360 8.124 ( 0.000 -1.887 0.000) 1.887 8.507 ( 0.000 -6.003 0.000) 6.003 9.432 ( -0.000 0.262 -0.000) 0.262 9.844 ( -0.000 4.652 -0.000) 4.652 9.956 ( -0.000 2.776 -0.000) 2.776 56.254 ( -0.000 0.177 -0.000) 0.177 56.587 ( -0.000 0.179 -0.000) 0.179 ======================= Grid point 231 (65/424) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -1.087 0.000 25.022) 25.045 1.005 ( -21.875 0.000 49.136) 53.785 1.223 ( 5.395 -0.000 59.856) 60.099 2.693 ( 0.890 -0.000 -6.921) 6.978 4.976 ( -0.521 0.000 -15.559) 15.568 5.864 ( 10.832 -0.000 -17.165) 20.297 7.159 ( -5.962 0.000 -4.029) 7.196 7.406 ( 6.565 -0.000 4.928) 8.209 7.506 ( -8.955 0.000 7.811) 11.883 7.963 ( 4.239 -0.000 -3.384) 5.424 8.077 ( -5.058 0.000 1.682) 5.331 8.695 ( 61.663 -0.000 -1.255) 61.676 9.183 ( 2.877 -0.000 -4.614) 5.437 9.587 ( -3.996 0.000 -12.886) 13.491 10.570 ( -0.074 0.000 20.468) 20.468 12.087 ( -22.145 0.000 -4.259) 22.551 56.143 ( -0.063 0.000 0.037) 0.073 56.507 ( -0.008 0.000 -0.189) 0.189 ======================= Grid point 232 (66/424) ======================= q-point: ( 0.07 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -29.782 -7.945 41.698) 51.854 1.015 ( 8.094 -27.603 19.565) 34.788 1.898 ( 28.009 -25.291 43.099) 57.286 2.901 ( 8.603 -19.971 -4.850) 22.280 4.871 ( -3.846 4.235 -16.860) 17.804 5.887 ( 9.708 1.711 -13.694) 16.874 7.189 ( -6.678 -8.579 -5.552) 12.207 7.392 ( -1.266 3.539 4.178) 5.620 7.615 ( 5.752 -8.192 5.771) 11.554 7.933 ( 2.173 3.962 -1.934) 4.915 8.065 ( -1.060 -2.229 4.846) 5.438 9.056 ( 3.460 0.438 -4.580) 5.757 9.232 ( 16.817 0.341 -7.001) 18.220 9.505 ( -5.711 -0.037 -12.801) 14.017 10.529 ( -7.374 6.396 20.216) 22.449 11.876 ( -17.257 2.169 -6.245) 18.480 56.145 ( 0.229 -0.134 0.018) 0.266 56.507 ( 0.142 -0.002 -0.186) 0.234 ======================= Grid point 233 (67/424) ======================= q-point: ( 0.13 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 7.235 -14.026 16.251) 22.653 1.639 ( 14.959 -23.506 18.329) 33.350 2.742 ( 11.408 -37.370 20.659) 44.198 3.462 ( 17.649 -26.248 -0.642) 31.637 4.702 ( -3.282 3.180 -14.155) 14.874 5.934 ( 7.267 -0.932 -5.700) 9.283 7.273 ( -7.456 -9.660 -5.261) 13.288 7.337 ( 3.172 3.765 0.473) 4.946 7.746 ( 4.475 4.852 1.716) 6.820 7.922 ( -1.716 -5.433 -0.329) 5.707 8.162 ( 4.584 -4.630 6.421) 9.148 8.965 ( -6.101 4.201 -2.378) 7.780 9.321 ( 3.316 0.106 2.798) 4.340 9.410 ( -6.581 0.374 -9.494) 11.557 10.355 ( -10.606 8.944 18.900) 23.446 11.605 ( -13.210 8.930 -15.871) 22.497 56.152 ( 0.433 -0.236 0.009) 0.493 56.509 ( 0.268 -0.051 -0.156) 0.314 ======================= Grid point 234 (68/424) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 24.698 -16.088 -1.048) 29.494 2.230 ( 15.821 -21.193 16.475) 31.158 3.534 ( 4.850 -37.937 10.406) 39.636 3.903 ( 8.797 -6.529 -17.057) 20.273 4.814 ( 10.454 -18.725 3.582) 21.743 6.001 ( 0.767 -1.820 2.706) 3.350 7.271 ( -0.766 1.011 -7.443) 7.550 7.413 ( 2.291 -7.026 -1.416) 7.524 7.632 ( -1.939 6.413 -1.716) 6.916 7.986 ( 1.109 -0.189 3.587) 3.759 8.290 ( 2.522 -1.980 2.366) 3.985 8.827 ( -4.143 4.091 -1.925) 6.132 9.322 ( -4.341 0.558 3.441) 5.568 9.328 ( -9.081 -1.653 2.135) 9.474 10.159 ( -10.799 6.696 17.321) 21.481 11.230 ( -11.264 13.668 -22.704) 28.795 56.161 ( 0.543 -0.284 0.002) 0.613 56.513 ( 0.377 -0.112 -0.105) 0.407 ======================= Grid point 235 (69/424) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 30.388 -16.096 -8.720) 35.476 2.769 ( 14.392 -18.247 14.162) 27.215 3.813 ( -0.112 4.341 -17.272) 17.809 4.301 ( 7.900 -34.193 1.477) 35.124 5.404 ( 14.555 -25.798 6.328) 30.289 5.986 ( -9.195 1.561 7.105) 11.725 7.228 ( 3.598 1.958 -7.499) 8.545 7.524 ( -8.969 -3.998 -5.655) 11.331 7.582 ( 9.165 -3.778 2.690) 10.272 7.978 ( 3.815 4.653 5.261) 7.993 8.271 ( -1.153 3.478 -1.136) 3.836 8.731 ( -1.686 4.542 -1.783) 5.162 9.258 ( -9.549 -0.061 3.820) 10.285 9.298 ( -10.289 -2.901 8.706) 13.787 10.034 ( -8.748 2.306 16.037) 18.413 10.803 ( -8.203 15.556 -26.291) 31.631 56.172 ( 0.552 -0.280 -0.005) 0.619 56.519 ( 0.431 -0.149 -0.054) 0.459 ======================= Grid point 236 (70/424) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 32.571 -15.386 -12.091) 37.997 3.205 ( 13.169 -11.166 12.655) 21.407 3.684 ( -1.641 1.777 -18.044) 18.205 4.941 ( 9.831 -27.076 2.965) 28.957 5.696 ( -19.258 5.038 10.962) 22.725 6.015 ( 9.674 -15.834 -5.379) 19.319 7.267 ( 5.022 -2.824 1.571) 5.972 7.529 ( -6.323 -6.940 -7.361) 11.930 7.769 ( 8.836 -5.583 4.402) 11.341 7.943 ( 6.179 5.918 6.736) 10.889 8.188 ( -0.684 3.957 -2.250) 4.603 8.597 ( -3.114 6.720 -2.983) 7.984 9.163 ( -14.101 -0.607 4.820) 14.914 9.283 ( -8.323 -2.274 8.980) 12.453 9.989 ( -6.376 0.298 13.230) 14.689 10.406 ( -3.551 13.957 -24.706) 28.597 56.181 ( 0.466 -0.232 -0.010) 0.521 56.525 ( 0.404 -0.142 -0.020) 0.429 ======================= Grid point 237 (71/424) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 34.117 -14.448 -13.684) 39.497 3.416 ( 10.607 3.929 4.414) 12.142 3.691 ( -3.057 -10.610 -8.069) 13.676 5.327 ( -24.140 8.496 11.433) 28.029 5.452 ( 7.672 -15.100 3.691) 17.335 6.317 ( 6.421 -9.932 -11.224) 16.305 7.392 ( 2.866 -4.135 6.880) 8.524 7.591 ( -6.186 -8.755 -7.827) 13.273 7.872 ( 2.041 3.416 3.406) 5.239 7.999 ( 10.621 -0.929 11.232) 15.487 8.096 ( 2.068 5.526 -5.985) 8.404 8.463 ( -4.493 2.360 -1.421) 5.270 9.054 ( -11.916 -0.366 1.670) 12.038 9.267 ( -6.072 -0.512 9.258) 11.083 9.955 ( -3.885 1.739 6.562) 7.822 10.139 ( 0.336 6.962 -14.770) 16.332 56.188 ( 0.307 -0.153 -0.016) 0.343 56.531 ( 0.296 -0.092 -0.010) 0.310 ======================= Grid point 238 (72/424) ======================= q-point: ( 0.47 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.375 ( 4.793 4.706 -5.399) 8.618 3.615 ( 33.230 -13.441 -9.113) 36.986 3.855 ( -0.426 -9.353 -1.288) 9.451 4.923 ( -29.082 10.461 17.553) 35.543 5.742 ( 4.812 -6.290 1.954) 8.158 6.430 ( 4.582 -2.090 -12.886) 13.836 7.459 ( -3.287 -0.887 4.017) 5.266 7.659 ( -6.549 -7.221 -4.643) 10.798 7.794 ( -2.171 4.907 2.240) 5.815 7.984 ( 10.705 8.236 -8.239) 15.821 8.148 ( 5.038 -0.633 7.673) 9.201 8.424 ( -5.832 -2.284 2.219) 6.645 8.974 ( -4.825 0.614 0.187) 4.868 9.235 ( -3.476 1.713 7.168) 8.149 9.890 ( -0.373 3.788 0.236) 3.813 10.117 ( 2.759 -5.454 -1.262) 6.241 56.192 ( 0.102 -0.058 -0.020) 0.119 56.534 ( 0.130 -0.016 -0.013) 0.131 ======================= Grid point 239 (73/424) ======================= q-point: (-0.47 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( -1.256 5.759 -3.695) 6.956 3.973 ( -3.234 -7.185 5.618) 9.677 4.141 ( 33.176 -10.243 -16.839) 38.589 4.528 ( -28.780 7.922 22.065) 37.120 5.725 ( -6.007 8.108 0.823) 10.125 6.448 ( 7.799 2.819 -10.950) 13.736 7.377 ( -7.807 3.444 -0.699) 8.562 7.655 ( -8.169 -0.053 -2.479) 8.538 7.742 ( -0.522 -0.996 0.925) 1.456 7.940 ( 13.671 7.548 -8.490) 17.775 8.177 ( -2.449 0.424 7.409) 7.815 8.415 ( -4.680 -1.923 -0.947) 5.147 8.940 ( 1.643 2.042 1.422) 2.982 9.197 ( -0.341 1.700 4.517) 4.838 9.828 ( 0.880 3.671 -0.054) 3.775 10.354 ( 6.663 -14.533 5.529) 16.916 56.192 ( -0.117 0.040 -0.019) 0.125 56.534 ( -0.053 0.063 -0.017) 0.084 ======================= Grid point 240 (74/424) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -5.097 10.747 -4.002) 12.550 3.955 ( -26.027 5.636 15.193) 30.659 4.168 ( -11.739 -2.564 12.670) 17.461 4.662 ( 30.650 -8.274 -16.491) 35.775 5.400 ( -9.688 18.403 0.767) 20.812 6.334 ( 2.014 15.361 -7.903) 17.392 7.247 ( -5.490 2.634 -1.575) 6.290 7.564 ( -4.245 0.185 -2.103) 4.741 7.763 ( -3.293 -2.085 0.275) 3.907 7.913 ( 10.640 6.559 -4.851) 13.408 8.155 ( -4.402 0.164 5.801) 7.284 8.423 ( -1.467 -4.320 -6.077) 7.599 8.922 ( 4.398 4.088 0.412) 6.018 9.213 ( 4.319 -0.227 3.659) 5.665 9.770 ( 1.265 3.984 -0.206) 4.186 10.743 ( 8.877 -17.813 8.788) 21.757 56.188 ( -0.321 0.130 -0.010) 0.346 56.531 ( -0.210 0.119 -0.014) 0.242 ======================= Grid point 241 (75/424) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -8.611 18.390 -5.800) 21.118 3.527 ( -41.056 9.484 28.049) 50.619 4.206 ( -5.464 -2.067 3.511) 6.816 4.882 ( 6.322 12.186 -11.207) 17.722 5.063 ( 14.748 5.452 -7.786) 17.546 5.851 ( -9.948 31.840 -5.744) 33.849 7.202 ( -2.244 -2.898 -5.143) 6.315 7.601 ( 2.029 -3.947 4.420) 6.263 7.750 ( -5.443 -2.254 -3.179) 6.694 7.878 ( 9.025 6.914 -0.277) 11.372 8.128 ( -3.054 -0.067 2.051) 3.680 8.512 ( 1.229 -7.565 -6.754) 10.215 8.873 ( 5.081 6.104 -3.311) 8.605 9.300 ( 8.203 -1.344 4.458) 9.432 9.715 ( 1.775 3.470 -0.338) 3.913 11.171 ( 9.626 -17.245 8.749) 21.601 56.182 ( -0.483 0.206 0.005) 0.525 56.526 ( -0.307 0.139 -0.005) 0.337 ======================= Grid point 242 (76/424) ======================= q-point: (-0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -12.365 24.705 -7.175) 28.543 3.039 ( -47.285 8.573 33.595) 58.635 3.968 ( -1.229 27.447 -2.011) 27.548 4.704 ( -6.149 0.374 5.920) 8.544 5.060 ( -14.486 33.435 -12.191) 38.424 5.208 ( 21.763 4.604 -16.118) 27.470 7.250 ( -1.536 -5.578 -7.402) 9.395 7.645 ( -6.807 -0.821 4.642) 8.279 7.773 ( 5.789 1.622 2.560) 6.535 7.862 ( 4.691 0.835 1.616) 5.031 8.116 ( 2.610 1.391 -4.335) 5.248 8.651 ( -0.692 -8.606 -3.378) 9.271 8.793 ( 8.615 7.294 -8.533) 14.151 9.443 ( 10.363 -3.530 6.176) 12.570 9.696 ( 3.452 1.004 -0.316) 3.609 11.567 ( 9.274 -14.725 6.172) 18.464 56.172 ( -0.578 0.257 0.022) 0.633 56.520 ( -0.338 0.122 -0.001) 0.359 ======================= Grid point 243 (77/424) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -14.618 27.388 -6.092) 31.637 2.522 ( -51.482 8.646 36.885) 63.919 3.300 ( 1.845 46.983 2.530) 47.088 4.149 ( -19.535 35.280 -5.320) 40.677 4.833 ( -3.350 -7.907 -2.956) 9.082 5.337 ( 21.412 -0.433 -18.275) 28.154 7.304 ( -0.991 -3.478 -4.560) 5.820 7.601 ( -8.231 -2.496 0.211) 8.603 7.754 ( 1.996 5.142 10.039) 11.454 7.914 ( 3.401 0.712 -0.073) 3.476 8.050 ( 2.668 7.606 -7.480) 10.996 8.695 ( 8.944 5.409 -5.972) 12.038 8.840 ( 6.255 -6.377 -7.433) 11.621 9.633 ( 7.034 -4.432 -3.728) 9.111 9.777 ( 9.336 -4.990 11.314) 15.494 11.890 ( 7.809 -11.217 1.854) 13.793 56.162 ( -0.585 0.266 0.036) 0.644 56.515 ( -0.313 0.085 -0.021) 0.325 ======================= Grid point 244 (78/424) ======================= q-point: (-0.13 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -11.236 26.434 1.674) 28.772 1.966 ( -49.023 13.248 34.918) 61.628 2.400 ( -6.154 52.658 14.530) 54.972 3.413 ( -12.980 27.979 -5.489) 31.327 4.927 ( 0.553 -5.705 -10.428) 11.899 5.528 ( 17.514 -5.249 -14.331) 23.230 7.326 ( 0.147 -0.374 0.423) 0.583 7.595 ( -8.802 -5.760 -0.272) 10.522 7.697 ( 4.071 10.465 6.662) 13.057 7.765 ( -5.739 7.909 -4.941) 10.950 8.008 ( 3.826 0.563 3.292) 5.079 8.659 ( 19.438 11.638 -11.909) 25.595 8.996 ( 5.110 -6.526 -4.714) 9.536 9.680 ( 1.454 -0.802 -10.542) 10.672 10.093 ( 12.469 -10.385 18.579) 24.668 12.114 ( 4.834 -7.491 -3.735) 9.666 56.153 ( -0.495 0.217 0.049) 0.543 56.511 ( -0.257 0.049 -0.074) 0.272 ======================= Grid point 245 (79/424) ======================= q-point: (-0.07 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 8.623 16.057 27.039) 32.608 1.249 ( -8.477 43.573 21.689) 49.405 1.600 ( -45.424 17.279 47.348) 67.851 2.900 ( -4.882 17.982 -5.781) 19.509 4.981 ( 1.883 -3.032 -14.170) 14.612 5.741 ( 13.892 -5.615 -14.909) 21.138 7.328 ( -2.339 0.851 -1.627) 2.973 7.411 ( 0.253 14.262 -3.144) 14.607 7.587 ( -10.896 -1.680 5.715) 12.418 7.791 ( 7.763 -4.974 8.674) 12.659 8.050 ( 2.506 -0.363 5.357) 5.925 8.556 ( 31.471 22.940 -11.337) 40.561 9.126 ( 4.997 -3.758 -4.357) 7.621 9.652 ( -1.578 0.095 -12.009) 12.113 10.408 ( 8.016 -6.850 19.991) 22.601 12.210 ( -3.417 -3.895 -10.253) 11.488 56.146 ( -0.319 0.111 0.054) 0.342 56.508 ( -0.178 0.023 -0.150) 0.234 ======================= Grid point 247 (80/424) ======================= q-point: ( 0.07 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( 7.509 -0.000 24.323) 25.455 0.751 ( 8.890 -0.000 22.928) 24.591 2.267 ( 43.158 -0.000 52.914) 68.282 2.764 ( 10.689 -0.000 -8.435) 13.616 4.809 ( -5.348 0.000 -23.925) 24.515 5.935 ( 4.952 -0.000 -7.557) 9.035 7.033 ( -5.179 0.000 -2.252) 5.647 7.507 ( 5.052 -0.000 2.113) 5.476 7.536 ( 3.685 -0.000 2.922) 4.703 7.951 ( -4.141 0.000 -1.238) 4.322 8.036 ( 1.285 -0.000 -0.334) 1.327 9.019 ( -10.078 0.000 0.412) 10.086 9.315 ( -0.775 0.000 1.374) 1.577 9.433 ( -0.593 0.000 -13.831) 13.844 10.535 ( -14.250 0.000 19.149) 23.869 11.777 ( -6.742 0.000 -4.944) 8.360 56.148 ( 0.488 -0.000 0.022) 0.489 56.509 ( 0.312 -0.000 -0.171) 0.356 ======================= Grid point 248 (81/424) ======================= q-point: ( 0.13 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 33.988 -7.414 -1.690) 34.828 1.275 ( 12.387 -31.288 15.572) 37.079 2.680 ( 26.648 -0.892 23.642) 35.635 3.220 ( 26.199 -24.652 13.387) 38.383 4.648 ( -6.453 2.093 -26.752) 27.599 5.964 ( 3.151 -0.225 1.416) 3.462 7.047 ( -5.523 -6.538 -2.242) 8.847 7.473 ( 7.814 5.130 -2.236) 9.611 7.723 ( 2.081 -10.849 0.291) 11.050 7.871 ( -4.247 4.135 -1.917) 6.229 8.114 ( 3.161 -5.788 2.105) 6.923 8.897 ( -14.764 0.280 0.718) 14.784 9.271 ( -8.263 -1.110 1.304) 8.439 9.380 ( -4.298 1.567 -2.507) 5.217 10.389 ( -18.204 4.405 17.253) 25.465 11.635 ( -4.477 7.980 -14.000) 16.725 56.154 ( 0.694 -0.102 0.022) 0.702 56.512 ( 0.449 0.023 -0.115) 0.464 ======================= Grid point 249 (82/424) ======================= q-point: ( 0.20 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 42.808 -9.022 -14.034) 45.944 1.985 ( 13.535 -28.489 13.140) 34.168 3.124 ( 17.627 -21.016 10.366) 29.323 3.857 ( 20.312 -10.484 1.930) 22.939 4.598 ( 2.759 -12.390 -11.485) 17.118 5.998 ( -0.959 0.049 9.512) 9.561 7.117 ( -5.270 -7.598 -2.480) 9.573 7.465 ( 8.700 3.671 -7.089) 11.807 7.727 ( -3.395 6.013 -2.136) 7.228 7.913 ( 0.281 -8.646 -0.970) 8.705 8.256 ( 1.503 -4.694 2.797) 5.667 8.759 ( -13.516 -1.283 -1.509) 13.660 9.228 ( -7.534 -1.652 3.814) 8.605 9.282 ( -10.836 1.662 4.973) 12.038 10.170 ( -18.672 4.835 15.586) 24.798 11.339 ( -4.895 14.183 -21.003) 25.812 56.164 ( 0.809 -0.151 0.016) 0.823 56.516 ( 0.565 -0.011 -0.056) 0.568 ======================= Grid point 250 (83/424) ======================= q-point: ( 0.27 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 43.727 -10.094 -18.113) 48.395 2.589 ( 13.769 -21.712 9.959) 27.571 3.782 ( 14.113 -31.123 9.164) 35.381 3.919 ( 6.265 5.473 -20.741) 22.347 5.107 ( 15.768 -26.719 6.532) 31.705 5.966 ( -9.019 3.132 13.905) 16.867 7.196 ( -1.492 -5.877 -3.580) 7.042 7.403 ( -4.860 3.276 -6.650) 8.864 7.676 ( 10.131 1.226 -2.048) 10.408 8.023 ( 0.350 -3.784 -0.260) 3.809 8.268 ( -6.199 0.468 0.550) 6.241 8.705 ( -6.404 -2.463 -2.860) 7.433 9.149 ( -15.928 0.965 9.813) 18.733 9.213 ( -5.499 -1.755 5.129) 7.722 9.991 ( -16.048 1.126 15.002) 21.997 10.949 ( -4.743 16.489 -25.129) 30.428 56.174 ( 0.821 -0.143 0.005) 0.833 56.522 ( 0.621 -0.039 -0.006) 0.623 ======================= Grid point 251 (84/424) ======================= q-point: ( 0.33 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 42.646 -10.956 -18.905) 47.917 3.072 ( 9.923 -17.956 4.426) 20.987 3.787 ( 8.191 9.362 -12.859) 17.891 4.516 ( 12.655 -32.803 4.750) 35.479 5.634 ( -0.152 -7.383 9.162) 11.768 5.829 ( -5.395 -5.417 4.414) 8.828 7.264 ( 1.498 -1.421 1.368) 2.476 7.332 ( -6.354 -5.544 -4.345) 9.486 7.803 ( 11.517 -2.913 -1.052) 11.927 8.061 ( 1.487 0.273 1.284) 1.984 8.191 ( -6.457 0.625 0.573) 6.512 8.638 ( -5.149 3.110 -5.953) 8.463 9.009 ( -16.818 -0.423 7.078) 18.252 9.217 ( -4.487 -1.712 8.647) 9.891 9.918 ( -12.309 -2.662 14.343) 19.087 10.552 ( -3.631 15.016 -25.116) 29.487 56.184 ( 0.735 -0.088 -0.007) 0.741 56.529 ( 0.591 -0.030 0.023) 0.593 ======================= Grid point 252 (85/424) ======================= q-point: ( 0.40 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 41.527 -11.637 -18.065) 46.757 3.420 ( 0.747 -14.698 -7.019) 16.305 3.688 ( 13.768 10.363 0.871) 17.254 5.160 ( 9.736 -23.834 4.371) 26.114 5.361 ( -21.544 11.531 14.388) 28.357 6.154 ( 8.592 -14.446 -9.313) 19.216 7.331 ( -4.226 -6.755 9.830) 12.654 7.393 ( -0.621 -4.237 -6.044) 7.408 7.924 ( 1.846 -0.867 0.306) 2.062 8.091 ( 5.679 -1.310 4.082) 7.115 8.137 ( -3.809 0.581 1.368) 4.089 8.488 ( -2.824 6.016 -7.974) 10.380 8.908 ( -12.552 -2.869 2.582) 13.132 9.234 ( -3.493 -1.149 10.245) 10.885 9.905 ( -9.596 -2.704 11.393) 15.139 10.233 ( -2.107 10.097 -19.930) 22.441 56.191 ( 0.575 -0.002 -0.017) 0.575 56.534 ( 0.475 0.022 0.027) 0.476 ======================= Grid point 253 (86/424) ======================= q-point: ( 0.47 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( -1.979 0.833 -12.498) 12.682 3.697 ( 38.614 -11.881 -14.151) 42.807 3.767 ( 12.948 -1.582 7.641) 15.118 4.931 ( -24.269 13.364 16.486) 32.239 5.613 ( 4.495 -13.879 3.233) 14.943 6.388 ( 9.450 -6.831 -12.561) 17.139 7.393 ( -6.084 -0.949 -5.598) 8.322 7.461 ( -5.091 -8.688 10.602) 14.622 7.865 ( -3.594 4.934 0.128) 6.105 8.103 ( -3.028 -0.693 -1.374) 3.396 8.213 ( 5.984 -1.933 5.777) 8.539 8.370 ( 1.136 3.696 -6.897) 7.907 8.899 ( -4.666 -4.415 1.490) 6.594 9.242 ( -2.625 0.319 9.024) 9.403 9.888 ( -6.675 -1.209 5.874) 8.973 10.071 ( -0.696 1.006 -9.262) 9.342 56.195 ( 0.367 0.099 -0.025) 0.381 56.537 ( 0.297 0.099 0.014) 0.314 ======================= Grid point 254 (87/424) ======================= q-point: (-0.47 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.378 ( -2.228 4.858 -3.751) 6.530 3.892 ( 3.570 -2.143 7.516) 8.592 4.246 ( 38.742 -10.753 -17.851) 43.992 4.519 ( -23.452 12.232 19.304) 32.746 5.741 ( -5.433 -0.342 1.348) 5.608 6.529 ( 12.708 -1.242 -11.202) 16.986 7.297 ( -9.913 0.330 -7.297) 12.313 7.570 ( -5.413 -4.836 8.693) 11.325 7.735 ( -5.063 3.373 0.393) 6.096 8.102 ( -0.475 -1.287 -2.076) 2.488 8.232 ( 6.195 7.922 -2.812) 10.442 8.339 ( -3.392 -2.319 1.511) 4.378 8.963 ( 2.510 -2.613 1.896) 4.089 9.228 ( -0.813 1.174 5.584) 5.764 9.855 ( -3.445 0.431 0.984) 3.609 10.159 ( 0.776 -11.861 2.347) 12.116 56.194 ( 0.146 0.199 -0.027) 0.248 56.536 ( 0.102 0.176 -0.002) 0.204 ======================= Grid point 255 (88/424) ======================= q-point: (-0.40 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( -4.487 7.704 1.367) 9.019 3.910 ( -11.308 5.567 13.796) 18.687 4.106 ( -16.080 7.339 11.229) 20.941 4.780 ( 37.319 -9.352 -18.264) 42.588 5.568 ( -9.604 10.673 0.979) 14.391 6.568 ( 9.248 7.507 -9.462) 15.212 7.186 ( -8.038 -0.188 -5.265) 9.611 7.547 ( -4.830 1.622 3.427) 6.140 7.690 ( -6.964 -1.344 4.854) 8.595 8.063 ( 1.495 5.565 -9.744) 11.320 8.154 ( -2.911 -0.847 6.238) 6.936 8.354 ( 2.097 0.178 -1.655) 2.677 9.018 ( 5.358 1.385 -1.071) 5.636 9.248 ( 3.748 -1.043 3.888) 5.500 9.816 ( -2.079 1.382 0.221) 2.507 10.480 ( 2.102 -19.961 7.621) 21.470 56.190 ( -0.058 0.285 -0.021) 0.292 56.532 ( -0.066 0.231 -0.013) 0.241 ======================= Grid point 256 (89/424) ======================= q-point: (-0.33 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -6.584 13.674 3.186) 15.508 3.482 ( -31.605 17.717 24.250) 43.599 4.083 ( -3.468 -4.899 1.747) 6.251 5.109 ( 15.336 5.681 -17.028) 23.610 5.297 ( 10.033 8.329 -3.841) 13.593 6.304 ( -0.805 25.395 -6.605) 26.252 7.121 ( -5.304 -0.588 -1.598) 5.570 7.552 ( 1.723 -4.523 3.282) 5.848 7.625 ( -11.078 -0.822 2.543) 11.396 8.008 ( -0.092 -1.661 -8.045) 8.216 8.156 ( 2.495 4.132 7.205) 8.672 8.387 ( 0.752 -4.011 -3.522) 5.391 9.011 ( 6.925 4.363 -5.989) 10.142 9.351 ( 7.554 -2.529 4.316) 9.060 9.767 ( -1.674 2.114 0.388) 2.724 10.903 ( 2.373 -22.000 8.286) 23.629 56.183 ( -0.218 0.352 -0.011) 0.414 56.527 ( -0.176 0.247 -0.018) 0.303 ======================= Grid point 257 (90/424) ======================= q-point: (-0.27 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.633 ( -5.269 23.411 1.097) 24.022 2.915 ( -40.187 16.002 30.396) 52.868 4.131 ( -2.754 -2.020 -2.863) 4.457 4.824 ( -4.823 16.087 3.458) 17.147 5.415 ( 24.653 6.849 -25.256) 35.952 5.659 ( -5.252 37.641 -1.354) 38.030 7.120 ( -2.491 -4.310 -2.712) 5.669 7.533 ( -12.644 -1.097 5.270) 13.743 7.743 ( 7.039 -8.118 1.087) 10.800 8.051 ( 3.222 -3.273 -5.848) 7.436 8.095 ( 2.306 6.428 5.486) 8.760 8.482 ( -1.829 -7.543 -2.163) 8.058 8.974 ( 10.167 5.906 -10.304) 15.634 9.486 ( 7.713 -2.642 5.969) 10.104 9.729 ( -0.120 0.607 0.797) 1.009 11.322 ( 1.382 -20.525 5.690) 21.344 56.174 ( -0.309 0.393 0.001) 0.500 56.521 ( -0.216 0.223 -0.029) 0.312 ======================= Grid point 258 (91/424) ======================= q-point: (-0.20 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -4.358 31.364 2.422) 31.758 2.356 ( -44.359 12.938 35.374) 58.193 3.974 ( 3.467 20.738 -5.440) 21.719 4.569 ( -13.068 17.625 4.784) 22.457 4.804 ( -4.304 27.791 -3.216) 28.306 5.548 ( 24.344 5.066 -21.378) 32.792 7.196 ( 0.070 -5.862 -1.615) 6.081 7.454 ( -12.618 -1.925 5.539) 13.914 7.891 ( 4.497 -0.996 1.684) 4.904 8.001 ( 4.022 7.160 4.126) 9.190 8.124 ( 0.797 -0.164 -6.179) 6.232 8.619 ( 0.290 -10.734 -0.993) 10.783 8.956 ( 14.513 5.263 -12.583) 19.916 9.600 ( 1.941 -2.839 1.464) 3.738 9.791 ( 5.740 -4.601 8.052) 10.906 11.670 ( -1.307 -17.374 0.869) 17.445 56.164 ( -0.311 0.399 0.008) 0.506 56.515 ( -0.199 0.174 -0.059) 0.271 ======================= Grid point 259 (92/424) ======================= q-point: (-0.13 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -3.574 29.778 13.234) 32.781 1.813 ( -40.998 14.402 35.968) 56.409 3.417 ( 6.560 49.926 4.798) 50.583 3.812 ( -11.028 31.785 -5.781) 34.137 4.754 ( -3.476 -7.193 -1.563) 8.140 5.643 ( 21.639 1.841 -19.943) 29.485 7.294 ( 0.251 -2.987 3.125) 4.330 7.421 ( -7.638 -5.397 4.237) 10.268 7.832 ( -3.886 7.380 -1.939) 8.563 7.960 ( 3.730 6.576 1.236) 7.661 8.048 ( 1.867 3.447 2.048) 4.423 8.848 ( 5.122 -11.174 -2.698) 12.585 8.980 ( 17.491 5.403 -12.876) 22.381 9.629 ( -2.158 -1.760 -6.789) 7.338 10.036 ( 6.470 -10.892 17.458) 21.570 11.903 ( -6.331 -13.399 -5.258) 15.724 56.155 ( -0.213 0.357 0.012) 0.416 56.511 ( -0.143 0.119 -0.115) 0.219 ======================= Grid point 260 (93/424) ======================= q-point: (-0.07 0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -9.837 15.850 33.380) 38.239 1.306 ( -20.334 18.897 31.879) 42.271 2.496 ( 4.071 56.504 16.277) 58.942 3.275 ( 2.748 25.984 -5.023) 26.607 4.839 ( -3.534 -7.198 -9.452) 12.395 5.772 ( 16.623 -1.493 -16.845) 23.713 7.307 ( -3.025 -0.504 3.510) 4.660 7.480 ( -7.190 1.112 -0.501) 7.292 7.632 ( 1.259 4.724 0.406) 4.906 7.882 ( 6.709 5.856 3.815) 9.688 8.065 ( 0.704 -0.084 6.369) 6.408 9.008 ( 9.966 1.069 -8.696) 13.270 9.070 ( 16.172 -2.701 -7.431) 18.001 9.589 ( -4.661 -0.336 -10.276) 11.289 10.336 ( 1.003 -11.448 20.061) 23.119 11.978 ( -14.272 -8.197 -10.479) 19.512 56.148 ( -0.023 0.263 0.015) 0.265 56.508 ( -0.044 0.070 -0.175) 0.193 ======================= Grid point 263 (94/424) ======================= q-point: ( 0.13 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 16.693 -0.000 22.475) 27.996 1.409 ( 48.703 -0.000 -14.886) 50.928 2.967 ( 15.641 -0.000 -10.445) 18.808 3.369 ( 42.771 -0.000 47.717) 64.080 4.500 ( -8.987 0.000 -35.420) 36.542 6.004 ( 2.475 -0.000 9.218) 9.544 6.944 ( -3.603 0.000 0.639) 3.659 7.538 ( -4.212 0.000 -1.417) 4.444 7.676 ( 12.534 -0.000 -5.144) 13.548 7.867 ( -3.745 0.000 -1.271) 3.955 8.085 ( 3.655 -0.000 1.467) 3.939 8.733 ( -19.798 0.000 0.626) 19.808 9.188 ( -7.198 0.000 0.299) 7.204 9.325 ( -10.849 0.000 3.515) 11.404 10.276 ( -22.762 0.000 15.021) 27.272 11.644 ( -2.887 0.000 -16.028) 16.286 56.161 ( 0.908 -0.000 0.031) 0.909 56.517 ( 0.590 -0.000 -0.057) 0.593 ======================= Grid point 264 (95/424) ======================= q-point: ( 0.20 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 18.868 -25.284 14.543) 34.739 1.874 ( 48.948 -5.061 -18.049) 52.415 3.111 ( 17.966 -4.373 -5.775) 19.371 3.993 ( 33.715 -6.544 27.322) 43.886 4.352 ( -4.241 -8.000 -26.791) 28.280 6.048 ( 0.501 1.506 15.969) 16.047 6.964 ( -3.025 -4.812 1.588) 5.901 7.518 ( -5.017 -2.056 -4.773) 7.223 7.762 ( 8.808 0.285 -5.284) 10.275 7.808 ( -2.382 0.715 -3.706) 4.463 8.186 ( 1.810 -4.745 2.340) 5.592 8.555 ( -19.361 -3.035 -2.056) 19.705 9.141 ( -6.907 -1.582 2.404) 7.483 9.206 ( -14.236 1.162 6.755) 15.800 10.073 ( -22.935 2.170 12.682) 26.297 11.469 ( -4.002 9.975 -19.236) 22.035 56.171 ( 1.033 -0.046 0.030) 1.035 56.522 ( 0.717 0.032 0.007) 0.717 ======================= Grid point 265 (96/424) ======================= q-point: ( 0.27 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 28.913 -19.638 -2.443) 35.037 2.391 ( 35.627 -12.078 -9.810) 38.876 3.461 ( 15.731 -19.171 -6.633) 25.671 4.072 ( 7.736 4.947 -17.573) 19.827 4.835 ( 20.549 -23.144 15.800) 34.750 6.022 ( -5.499 5.497 19.835) 21.305 7.054 ( -1.472 -7.029 2.466) 7.593 7.414 ( -8.150 4.525 -6.518) 11.375 7.790 ( 9.064 1.384 -4.710) 10.308 7.866 ( -3.062 -8.355 -5.723) 10.580 8.179 ( -11.568 -0.842 -0.400) 11.606 8.544 ( -5.621 -7.379 -1.574) 9.409 9.049 ( -16.553 1.021 9.370) 19.048 9.142 ( -4.560 -2.274 3.742) 6.322 9.872 ( -19.736 0.795 11.661) 22.938 11.134 ( -4.747 15.834 -21.806) 27.363 56.182 ( 1.051 -0.032 0.019) 1.052 56.529 ( 0.785 0.043 0.053) 0.788 ======================= Grid point 266 (97/424) ======================= q-point: ( 0.33 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 34.926 -12.490 -12.478) 39.135 2.859 ( 21.998 -12.447 -10.902) 27.526 3.912 ( 9.119 -10.325 -18.761) 23.275 4.178 ( 18.887 -15.484 8.284) 25.790 5.427 ( 13.158 -20.957 6.370) 25.552 5.836 ( -14.211 11.060 18.140) 25.560 7.186 ( -0.930 -6.643 1.654) 6.908 7.258 ( -4.813 1.583 -0.009) 5.067 7.846 ( 3.479 -1.038 -3.860) 5.300 7.961 ( -5.283 -8.251 -4.516) 10.788 8.107 ( -5.746 -2.079 -2.150) 6.478 8.578 ( -4.951 -1.921 -3.649) 6.443 8.904 ( -13.843 1.740 7.373) 15.780 9.168 ( -3.256 -2.842 6.607) 7.895 9.763 ( -15.298 -3.487 12.175) 19.860 10.729 ( -4.983 16.782 -22.309) 28.357 56.192 ( 0.968 0.031 0.003) 0.969 56.536 ( 0.759 0.071 0.071) 0.765 ======================= Grid point 267 (98/424) ======================= q-point: ( 0.40 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.145 ( 1.136 -13.457 -11.750) 17.901 3.325 ( 45.309 -8.413 -21.130) 50.697 4.005 ( 17.635 5.658 -0.504) 18.527 4.816 ( 14.789 -27.844 7.877) 32.497 5.456 ( -18.594 15.393 15.248) 28.551 5.893 ( 5.369 -19.222 -5.380) 20.671 7.203 ( -4.274 -3.792 3.468) 6.683 7.341 ( 1.268 -3.825 5.157) 6.545 7.852 ( -8.155 -4.052 -0.518) 9.121 8.044 ( -3.116 -6.775 -2.657) 7.917 8.103 ( -1.432 0.307 -2.939) 3.283 8.529 ( 0.248 1.330 -6.870) 7.002 8.783 ( -9.837 0.506 4.485) 10.823 9.212 ( -1.705 -2.142 9.123) 9.524 9.757 ( -11.936 -5.618 11.284) 17.359 10.349 ( -4.888 13.363 -19.574) 24.200 56.199 ( 0.805 0.126 -0.011) 0.815 56.541 ( 0.637 0.130 0.060) 0.653 ======================= Grid point 268 (99/424) ======================= q-point: ( 0.47 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.290 ( -4.638 -9.404 -14.120) 17.588 3.843 ( 41.311 -9.473 -16.747) 45.572 4.064 ( 20.856 9.021 7.304) 23.869 5.028 ( -19.257 15.570 14.597) 28.746 5.376 ( 5.749 -19.082 6.635) 21.005 6.242 ( 8.338 -16.394 -12.434) 22.201 7.277 ( -2.815 -5.324 2.154) 6.396 7.361 ( -6.742 -0.442 8.845) 11.131 7.865 ( -3.952 -2.963 -0.895) 5.020 8.000 ( -11.085 1.571 -0.867) 11.229 8.136 ( -3.970 -7.614 -1.406) 8.701 8.512 ( 9.921 5.207 -9.941) 14.978 8.768 ( -4.012 -5.717 5.247) 8.736 9.255 ( -0.494 -0.500 9.863) 9.888 9.776 ( -9.582 -4.571 8.151) 13.385 10.078 ( -4.518 6.279 -13.235) 15.330 56.202 ( 0.591 0.234 -0.022) 0.637 56.543 ( 0.448 0.211 0.032) 0.496 ======================= Grid point 269 (100/424) ======================= q-point: ( 0.53 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( -7.205 -3.926 -7.386) 11.040 4.060 ( 12.349 8.067 10.924) 18.355 4.396 ( 42.068 -9.199 -18.229) 46.761 4.619 ( -17.786 15.018 15.802) 28.135 5.629 ( -4.209 -7.479 2.720) 9.002 6.547 ( 14.458 -8.955 -13.505) 21.717 7.213 ( -8.656 2.465 -2.689) 9.393 7.433 ( -4.866 -7.475 10.916) 14.097 7.757 ( -7.819 5.834 -1.737) 9.909 7.978 ( -6.437 -6.316 2.816) 9.448 8.215 ( -8.780 -6.470 -1.813) 11.056 8.456 ( 10.677 7.568 -7.841) 15.256 8.909 ( 3.707 -7.134 3.827) 8.904 9.269 ( 0.568 1.587 7.604) 7.788 9.784 ( -6.974 -3.297 3.371) 8.418 9.993 ( -4.057 -4.616 -3.029) 6.852 56.201 ( 0.363 0.338 -0.026) 0.496 56.542 ( 0.239 0.289 0.001) 0.375 ======================= Grid point 270 (101/424) ======================= q-point: (-0.40 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.256 ( -9.482 1.361 2.030) 9.792 4.039 ( 5.603 7.704 10.174) 13.938 4.193 ( -17.271 16.219 12.110) 26.608 4.925 ( 39.746 -9.540 -18.235) 44.757 5.607 ( -7.986 2.897 1.884) 8.702 6.712 ( 11.698 0.843 -14.499) 18.649 7.105 ( -5.442 0.397 -0.844) 5.521 7.507 ( -5.754 -2.223 4.031) 7.369 7.618 ( -7.598 0.150 4.566) 8.866 8.049 ( -4.375 -6.086 5.369) 9.220 8.104 ( -12.483 4.979 -5.139) 14.389 8.458 ( 10.436 3.298 -3.584) 11.516 9.059 ( 6.588 -2.825 -1.242) 7.275 9.282 ( 3.446 -0.073 5.044) 6.109 9.779 ( -4.926 -1.870 0.643) 5.308 10.153 ( -4.105 -16.890 5.351) 18.186 56.197 ( 0.152 0.422 -0.023) 0.449 56.537 ( 0.058 0.342 -0.022) 0.347 ======================= Grid point 271 (102/424) ======================= q-point: (-0.33 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -14.511 6.607 10.734) 19.221 3.702 ( -14.934 22.751 14.550) 30.860 4.032 ( 0.235 1.407 1.328) 1.949 5.275 ( 12.949 3.121 -14.781) 19.897 5.502 ( 15.485 2.452 -3.834) 16.140 6.633 ( 4.294 12.068 -14.226) 19.143 7.090 ( -1.290 0.592 5.138) 5.331 7.473 ( -5.499 -2.489 -1.446) 6.207 7.564 ( -8.879 1.952 10.417) 13.826 7.908 ( -8.921 0.112 -7.479) 11.642 8.148 ( -1.611 -6.455 6.507) 9.306 8.452 ( 6.026 5.694 -2.396) 8.630 9.118 ( 8.099 1.822 -7.496) 11.185 9.383 ( 7.351 -3.261 4.959) 9.448 9.757 ( -4.309 -0.200 0.832) 4.393 10.503 ( -4.396 -23.919 7.135) 25.344 56.190 ( -0.011 0.480 -0.015) 0.480 56.531 ( -0.061 0.355 -0.036) 0.362 ======================= Grid point 272 (103/424) ======================= q-point: (-0.27 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( -23.295 11.814 20.366) 33.121 3.170 ( -10.006 27.208 8.180) 30.122 4.037 ( -1.551 -2.558 -1.907) 3.548 5.066 ( -3.824 14.303 -0.157) 14.806 5.693 ( 27.680 3.787 -20.385) 34.584 6.251 ( 0.108 30.460 -6.609) 31.169 7.060 ( -2.071 0.286 4.737) 5.177 7.413 ( -12.424 -0.704 4.055) 13.088 7.641 ( 5.383 -10.574 2.764) 12.183 7.882 ( -6.480 -5.689 -5.005) 9.971 8.268 ( 3.852 -1.730 5.745) 7.130 8.374 ( -1.487 2.569 -2.081) 3.625 9.127 ( 10.487 3.748 -10.922) 15.598 9.534 ( 8.295 -2.778 6.341) 10.804 9.716 ( -4.088 -0.028 1.513) 4.359 10.912 ( -5.444 -24.784 4.238) 25.726 56.180 ( -0.103 0.508 -0.007) 0.518 56.524 ( -0.107 0.328 -0.050) 0.349 ======================= Grid point 273 (104/424) ======================= q-point: (-0.20 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -32.243 16.913 29.156) 46.645 2.632 ( -0.447 29.216 4.551) 29.572 4.063 ( -1.525 -2.525 -7.857) 8.393 4.764 ( -4.132 16.398 4.623) 17.531 5.490 ( 1.805 40.325 -6.981) 40.965 5.836 ( 20.424 9.903 -15.469) 27.469 7.110 ( 1.395 -4.757 2.780) 5.684 7.334 ( -10.675 -0.990 6.078) 12.324 7.875 ( 3.358 -4.186 -0.363) 5.379 7.980 ( -0.776 -13.632 -2.647) 13.909 8.179 ( -1.081 9.553 -1.379) 9.713 8.458 ( 1.081 -8.073 3.156) 8.735 9.133 ( 12.693 3.912 -11.498) 17.568 9.602 ( -0.637 1.488 4.138) 4.444 9.767 ( 3.533 -5.508 7.275) 9.784 11.272 ( -8.040 -22.092 -1.424) 23.552 56.170 ( -0.105 0.501 -0.002) 0.512 56.518 ( -0.090 0.274 -0.076) 0.298 ======================= Grid point 274 (105/424) ======================= q-point: (-0.13 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -29.732 20.672 29.717) 46.844 2.173 ( 5.434 27.723 11.362) 30.450 4.000 ( 3.521 9.006 -12.149) 15.527 4.331 ( -11.744 32.171 2.245) 34.321 4.847 ( 6.927 25.407 4.903) 26.787 5.852 ( 18.553 5.469 -16.516) 25.435 7.256 ( 4.925 -6.852 3.731) 9.226 7.283 ( -7.966 -1.625 5.823) 10.000 7.905 ( -3.472 3.712 -2.842) 5.823 7.983 ( -5.185 2.902 -1.520) 6.133 8.158 ( 5.242 -1.645 -0.071) 5.495 8.662 ( 3.325 -11.383 1.207) 11.920 9.171 ( 13.999 2.594 -10.059) 17.432 9.563 ( -4.937 0.106 0.002) 4.938 9.957 ( 3.337 -8.179 14.507) 16.984 11.517 ( -12.201 -17.665 -8.432) 23.065 56.161 ( -0.007 0.454 -0.002) 0.454 56.512 ( -0.023 0.208 -0.119) 0.241 ======================= Grid point 275 (106/424) ======================= q-point: (-0.07 0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -18.168 19.487 27.600) 38.361 1.840 ( 13.032 24.244 18.794) 33.329 3.482 ( -3.241 48.573 7.728) 49.291 3.774 ( 10.325 21.577 -8.811) 25.492 4.708 ( 0.691 1.263 -1.394) 2.004 5.892 ( 13.549 2.763 -11.810) 18.185 7.275 ( -2.128 -1.719 4.240) 5.046 7.429 ( 1.609 -3.821 0.566) 4.184 7.687 ( -5.097 5.824 -3.626) 8.547 7.980 ( -1.513 -0.327 1.696) 2.296 8.175 ( 6.614 5.106 4.789) 9.631 8.874 ( 0.055 -9.655 -2.044) 9.869 9.244 ( 12.908 1.070 -6.265) 14.388 9.501 ( -7.540 -0.182 -4.144) 8.606 10.182 ( -2.299 -10.521 18.615) 21.505 11.614 ( -16.059 -12.453 -14.650) 25.052 56.154 ( 0.183 0.362 0.000) 0.406 56.509 ( 0.092 0.139 -0.158) 0.230 ======================= Grid point 279 (107/424) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( 21.862 -0.000 20.433) 29.924 2.268 ( 52.750 -0.000 -23.467) 57.734 3.207 ( 16.187 -0.000 -12.485) 20.443 4.097 ( -8.691 0.000 -42.244) 43.129 4.412 ( 39.641 -0.000 42.559) 58.161 6.130 ( 1.046 -0.000 21.524) 21.550 6.906 ( -1.851 0.000 3.813) 4.239 7.390 ( -9.213 0.000 -2.543) 9.557 7.776 ( -4.448 0.000 -4.931) 6.641 7.869 ( 9.028 -0.000 -7.092) 11.480 8.186 ( 5.019 -0.000 3.673) 6.220 8.293 ( -23.303 0.000 -6.874) 24.295 9.037 ( -15.273 0.000 4.471) 15.914 9.120 ( -7.745 0.000 5.183) 9.319 9.907 ( -21.988 0.000 9.581) 23.984 11.458 ( -6.251 0.000 -19.470) 20.449 56.181 ( 1.169 -0.000 0.035) 1.170 56.530 ( 0.832 -0.000 0.065) 0.834 ======================= Grid point 280 (108/424) ======================= q-point: ( 0.27 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 20.413 -20.458 16.584) 33.321 2.707 ( 50.913 -1.465 -24.474) 56.509 3.359 ( 14.276 -5.659 -14.515) 21.131 3.981 ( -2.766 -7.454 -36.446) 37.303 4.929 ( 33.286 -4.855 35.691) 49.044 6.152 ( -2.489 5.403 24.877) 25.579 6.949 ( -0.774 -4.728 5.190) 7.063 7.326 ( -10.825 -2.114 -2.707) 11.357 7.697 ( -6.427 -0.438 -8.176) 10.409 7.850 ( -9.107 -0.105 -4.652) 10.227 8.070 ( -2.914 1.638 -6.175) 7.022 8.362 ( 0.994 -9.200 -0.262) 9.257 8.900 ( -18.452 -1.451 7.388) 19.929 9.086 ( -3.585 -0.657 2.606) 4.481 9.733 ( -17.767 0.673 7.845) 19.434 11.247 ( -7.806 9.407 -20.184) 23.597 56.193 ( 1.196 0.020 0.028) 1.196 56.538 ( 0.896 0.055 0.103) 0.903 ======================= Grid point 281 (109/424) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 13.751 -18.515 6.509) 23.964 3.124 ( 46.648 -2.453 -26.540) 53.726 3.635 ( 12.045 -17.885 -15.724) 26.687 4.134 ( 11.080 -13.859 -16.092) 23.954 5.366 ( 20.215 -5.796 23.377) 31.444 5.999 ( -10.587 13.205 22.294) 27.991 7.073 ( -0.291 -6.672 4.867) 8.263 7.221 ( -7.687 0.336 0.874) 7.743 7.689 ( -11.881 -10.164 -8.230) 17.669 7.744 ( -13.262 -2.994 -3.348) 14.002 8.083 ( 7.517 -0.210 -6.379) 9.861 8.482 ( -2.062 -4.182 -0.948) 4.758 8.798 ( -14.234 -2.183 7.149) 16.077 9.095 ( -2.054 -2.980 1.891) 4.083 9.612 ( -12.929 -1.209 8.421) 15.477 10.893 ( -8.307 14.656 -19.959) 26.118 56.203 ( 1.117 0.094 0.014) 1.121 56.545 ( 0.872 0.121 0.106) 0.886 ======================= Grid point 282 (110/424) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( 3.681 -9.781 -10.557) 14.855 3.565 ( 44.735 -6.354 -22.223) 50.353 4.066 ( 15.202 -16.095 -6.808) 23.162 4.575 ( 19.284 -21.237 1.999) 28.756 5.628 ( -8.676 12.749 10.893) 18.880 5.659 ( -2.650 -3.752 13.102) 13.884 7.120 ( -4.048 -3.145 3.680) 6.311 7.296 ( 1.649 -5.224 8.316) 9.958 7.649 ( -15.205 -5.829 -2.295) 16.445 7.792 ( -8.923 -11.370 -5.940) 15.626 8.112 ( 1.680 1.693 -6.871) 7.273 8.506 ( 0.003 -2.510 -0.412) 2.544 8.735 ( -6.847 0.070 2.533) 7.301 9.162 ( -0.416 -4.510 3.938) 6.002 9.583 ( -9.923 -4.449 9.260) 14.283 10.491 ( -8.168 15.007 -17.775) 24.656 56.210 ( 0.953 0.202 -0.001) 0.974 56.550 ( 0.748 0.204 0.078) 0.779 ======================= Grid point 283 (111/424) ======================= q-point: ( 0.47 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -1.857 -8.552 -13.373) 15.982 4.037 ( 40.475 -7.194 -17.009) 44.489 4.383 ( 21.635 -1.101 1.022) 21.687 5.133 ( 12.028 -16.673 9.017) 22.450 5.198 ( -16.537 15.911 13.703) 26.729 5.913 ( 1.325 -20.052 -7.026) 21.289 7.184 ( -1.737 -4.907 6.580) 8.390 7.328 ( -7.620 1.049 7.318) 10.617 7.682 ( -6.925 -10.101 -2.537) 12.507 7.881 ( -9.132 -8.941 -2.252) 12.977 7.996 ( -7.226 4.920 -6.692) 11.009 8.617 ( 9.161 -4.535 -1.951) 10.407 8.682 ( -2.883 0.786 0.635) 3.055 9.253 ( 1.213 -3.265 6.657) 7.513 9.613 ( -8.982 -5.607 7.982) 13.260 10.136 ( -7.718 10.922 -13.425) 18.949 56.213 ( 0.734 0.323 -0.013) 0.802 56.552 ( 0.552 0.299 0.032) 0.629 ======================= Grid point 284 (112/424) ======================= q-point: ( 0.53 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( -5.356 -7.113 -7.361) 11.553 4.365 ( 18.142 5.337 2.953) 19.140 4.630 ( 37.685 -2.322 -10.807) 39.272 4.789 ( -12.371 15.743 11.257) 22.970 5.437 ( -3.335 -10.359 5.807) 12.335 6.355 ( 11.156 -22.582 -12.975) 28.333 7.194 ( -8.148 2.794 3.478) 9.289 7.307 ( -3.270 -5.511 10.610) 12.395 7.775 ( -10.823 3.388 -1.417) 11.429 7.802 ( -3.275 -6.471 -5.277) 8.969 7.949 ( -11.370 -8.324 -0.666) 14.107 8.628 ( 5.936 4.440 -6.594) 9.922 8.824 ( 6.405 -8.310 3.185) 10.964 9.325 ( 2.398 -0.135 8.021) 8.373 9.644 ( -8.285 -5.073 4.685) 10.786 9.908 ( -7.286 2.810 -6.899) 10.420 56.212 ( 0.496 0.435 -0.019) 0.660 56.550 ( 0.333 0.384 -0.013) 0.508 ======================= Grid point 285 (113/424) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( -8.273 -3.268 1.270) 8.986 4.296 ( 3.591 12.697 2.970) 13.525 4.413 ( -7.845 17.365 15.376) 24.485 5.090 ( 38.533 -7.816 -16.881) 42.789 5.533 ( -5.574 -4.813 3.300) 8.070 6.697 ( 7.768 -8.244 -17.804) 21.102 7.111 ( -0.613 1.383 6.553) 6.725 7.401 ( -3.820 -4.890 4.729) 7.802 7.595 ( -7.623 4.112 2.485) 9.010 7.887 ( -8.874 -7.972 -3.003) 12.301 7.964 ( -11.190 -4.879 3.443) 12.684 8.601 ( 7.959 3.707 -6.235) 10.769 9.035 ( 7.708 -6.949 -0.668) 10.399 9.347 ( 3.074 2.008 6.387) 7.367 9.668 ( -6.495 -4.647 1.310) 8.093 9.878 ( -7.906 -8.309 1.847) 11.617 56.207 ( 0.275 0.522 -0.018) 0.590 56.545 ( 0.142 0.438 -0.044) 0.462 ======================= Grid point 286 (114/424) ======================= q-point: (-0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( -12.167 2.949 9.551) 15.747 3.973 ( -11.005 17.731 3.103) 21.098 4.184 ( 3.219 12.192 8.380) 15.141 5.372 ( 5.761 1.556 -9.773) 11.451 5.654 ( 23.600 -4.853 -4.723) 24.552 6.721 ( 0.849 1.195 -16.765) 16.829 7.155 ( 6.420 1.452 6.415) 9.192 7.384 ( -7.189 0.113 -1.631) 7.373 7.539 ( -5.703 -0.403 10.252) 11.739 7.811 ( -12.400 0.697 -4.563) 13.231 8.020 ( -3.358 -6.834 7.636) 10.784 8.588 ( 5.119 4.329 -5.051) 8.394 9.182 ( 9.194 -1.584 -8.121) 12.368 9.402 ( 4.963 -2.872 5.878) 8.211 9.689 ( -4.487 -2.831 1.350) 5.475 10.058 ( -9.536 -19.716 6.140) 22.745 56.199 ( 0.105 0.574 -0.011) 0.584 56.538 ( 0.017 0.449 -0.061) 0.453 ======================= Grid point 287 (115/424) ======================= q-point: (-0.27 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( -16.951 10.479 16.558) 25.910 3.542 ( -7.541 21.334 1.007) 22.650 4.055 ( 0.349 5.863 2.104) 6.239 5.249 ( -1.409 9.515 -1.443) 9.726 5.931 ( 24.661 -0.006 -15.426) 29.088 6.614 ( 4.142 10.670 -13.717) 17.865 7.123 ( -5.872 6.066 9.680) 12.844 7.317 ( -4.705 0.766 3.349) 5.825 7.531 ( -0.670 -4.260 5.438) 6.941 7.747 ( -3.370 -3.311 -3.711) 6.008 8.159 ( -1.433 -8.730 7.654) 11.699 8.492 ( -0.077 7.464 -4.366) 8.648 9.239 ( 9.885 1.541 -10.984) 14.857 9.552 ( 5.227 -5.702 6.201) 9.914 9.682 ( -2.986 0.341 2.733) 4.062 10.393 ( -10.248 -25.864 3.306) 28.016 56.189 ( 0.009 0.590 -0.005) 0.590 56.530 ( -0.030 0.419 -0.069) 0.426 ======================= Grid point 288 (116/424) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -18.726 17.307 20.373) 32.638 3.103 ( -1.720 23.264 1.432) 23.371 3.993 ( -1.581 0.453 -4.148) 4.462 5.033 ( 0.008 14.307 1.718) 14.410 5.994 ( 14.936 10.163 -17.793) 25.356 6.257 ( 3.244 26.770 -5.582) 27.538 7.056 ( -3.238 -2.666 6.351) 7.611 7.283 ( -1.236 1.405 6.461) 6.726 7.706 ( -3.536 -11.581 1.624) 12.217 7.824 ( 6.383 -6.695 -2.048) 9.475 8.281 ( -6.210 3.603 -2.324) 7.546 8.363 ( 2.755 -3.401 3.896) 5.860 9.263 ( 9.262 2.347 -9.716) 13.626 9.627 ( -5.588 1.071 3.128) 6.493 9.731 ( 6.441 -4.583 9.270) 12.183 10.750 ( -11.546 -25.139 -3.528) 27.888 56.179 ( 0.006 0.568 -0.002) 0.568 56.523 ( -0.006 0.361 -0.081) 0.370 ======================= Grid point 289 (117/424) ======================= q-point: (-0.13 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -13.094 21.540 18.638) 31.350 2.716 ( 5.149 23.503 7.872) 25.315 3.971 ( -2.475 -2.232 -11.899) 12.357 4.729 ( -1.171 21.713 3.167) 21.974 5.565 ( 8.369 37.201 -1.194) 38.149 6.057 ( 8.851 5.880 -9.877) 14.508 7.136 ( -1.363 -5.937 1.153) 6.200 7.296 ( 4.303 0.396 8.282) 9.342 7.819 ( -3.890 -7.203 0.371) 8.195 8.021 ( -5.267 4.414 -5.607) 8.869 8.090 ( 3.191 -4.778 -2.287) 6.184 8.543 ( 3.668 -8.228 4.786) 10.201 9.284 ( 7.692 1.470 -6.951) 10.471 9.546 ( -6.236 2.606 4.043) 7.876 9.899 ( 2.694 -5.721 12.967) 14.427 11.019 ( -13.826 -20.983 -11.680) 27.710 56.170 ( 0.103 0.509 -0.004) 0.519 56.517 ( 0.074 0.288 -0.101) 0.314 ======================= Grid point 290 (118/424) ======================= q-point: (-0.07 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 1.952 21.467 11.669) 24.511 2.425 ( 12.170 22.270 15.059) 29.509 3.937 ( -1.543 0.550 -15.828) 15.913 4.217 ( -0.490 34.644 0.987) 34.661 5.087 ( 13.654 28.538 7.535) 32.521 6.023 ( 5.061 3.461 -4.377) 7.533 7.216 ( 0.324 -4.247 -3.135) 5.288 7.405 ( 6.486 -3.219 6.045) 9.432 7.745 ( -8.966 9.772 -6.642) 14.832 7.917 ( -1.238 -5.432 3.389) 6.521 8.249 ( 3.708 -3.729 -0.743) 5.311 8.725 ( 1.981 -7.699 1.289) 8.053 9.314 ( 3.792 -0.088 -3.622) 5.244 9.443 ( -8.476 2.496 4.413) 9.877 10.053 ( -2.892 -6.676 16.482) 18.017 11.163 ( -14.969 -16.130 -19.159) 29.177 56.164 ( 0.292 0.411 -0.004) 0.504 56.513 ( 0.202 0.208 -0.118) 0.313 ======================= Grid point 295 (119/424) ======================= q-point: ( 0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 23.090 -0.000 18.676) 29.698 3.108 ( 50.333 -0.000 -23.827) 55.688 3.417 ( 13.748 -0.000 -14.124) 19.711 3.726 ( -4.223 0.000 -40.874) 41.091 5.329 ( 32.225 -0.000 36.341) 48.571 6.266 ( -2.501 0.000 28.668) 28.777 6.913 ( -0.855 0.000 6.129) 6.189 7.194 ( -9.441 0.000 -1.420) 9.547 7.580 ( -30.991 0.000 -7.698) 31.933 7.641 ( -5.830 0.000 -7.735) 9.686 8.124 ( 7.779 -0.000 -11.076) 13.535 8.299 ( 4.473 -0.000 3.532) 5.699 8.727 ( -18.386 0.000 6.176) 19.396 9.060 ( -1.942 0.000 0.669) 2.054 9.612 ( -12.989 0.000 5.527) 14.116 11.185 ( -10.723 0.000 -19.854) 22.565 56.205 ( 1.230 -0.000 0.028) 1.231 56.548 ( 0.943 -0.000 0.125) 0.952 ======================= Grid point 296 (120/424) ======================= q-point: ( 0.33 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.512 ( 19.274 -13.029 14.360) 27.340 3.400 ( 20.719 1.268 -27.646) 34.571 3.559 ( 34.529 -4.784 -17.312) 38.921 3.832 ( 6.535 -19.253 -24.726) 32.012 5.658 ( 21.024 3.636 30.998) 37.632 6.205 ( -7.828 11.617 24.846) 28.523 6.973 ( -1.654 -5.297 5.472) 7.793 7.131 ( -7.812 -1.886 2.546) 8.429 7.337 ( -22.415 -8.014 -8.050) 25.128 7.577 ( -7.898 -1.820 -7.441) 11.003 8.148 ( 6.806 1.100 -7.649) 10.298 8.399 ( 1.169 -4.229 1.326) 4.584 8.611 ( -15.323 -3.926 6.057) 16.938 9.056 ( 0.572 -0.774 -2.104) 2.314 9.526 ( -8.019 0.100 5.467) 9.705 10.945 ( -12.151 7.995 -19.140) 24.039 56.215 ( 1.156 0.083 0.020) 1.159 56.556 ( 0.908 0.095 0.111) 0.920 ======================= Grid point 297 (121/424) ======================= q-point: ( 0.40 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 7.970 -4.807 -3.738) 10.030 3.679 ( 22.397 -17.565 -13.053) 31.313 3.964 ( 33.878 -8.431 -14.245) 37.706 4.281 ( 13.479 -26.256 -14.433) 32.854 5.743 ( -3.032 7.445 24.644) 25.922 5.885 ( -4.841 18.568 11.599) 22.422 7.023 ( -5.540 -3.995 5.333) 8.665 7.218 ( -0.805 -8.782 5.262) 10.269 7.339 ( -14.651 -9.085 -0.579) 17.249 7.545 ( -5.631 -6.269 -6.341) 10.546 8.142 ( 0.342 2.576 -7.376) 7.820 8.444 ( -3.007 -3.397 4.141) 6.143 8.630 ( -5.302 -6.158 1.958) 8.358 9.099 ( 3.155 -3.142 -3.085) 5.417 9.491 ( -4.705 -0.878 6.604) 8.156 10.593 ( -12.173 12.174 -16.869) 24.103 56.223 ( 0.992 0.207 0.007) 1.013 56.562 ( 0.780 0.211 0.065) 0.811 ======================= Grid point 298 (122/424) ======================= q-point: ( 0.47 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.909 ( 2.250 -3.459 -9.252) 10.130 4.191 ( 27.539 -13.458 -8.318) 31.760 4.408 ( 26.879 -12.677 -8.876) 31.016 4.908 ( 16.097 -29.350 -3.448) 33.652 5.400 ( -15.391 17.242 10.358) 25.327 5.728 ( -2.174 4.754 9.502) 10.845 7.078 ( -5.383 -5.800 5.947) 9.899 7.293 ( -8.343 0.981 7.383) 11.183 7.366 ( -10.811 -12.750 -4.507) 17.313 7.677 ( 0.904 -9.474 -0.760) 9.548 8.014 ( -5.788 5.708 -6.421) 10.359 8.530 ( -2.716 -6.751 7.211) 10.245 8.696 ( 4.187 -2.659 -5.133) 7.138 9.203 ( 3.968 -5.109 -0.940) 6.537 9.498 ( -4.156 -2.022 7.273) 8.617 10.219 ( -11.184 12.013 -12.781) 20.802 56.226 ( 0.768 0.344 -0.004) 0.841 56.563 ( 0.580 0.331 0.004) 0.668 ======================= Grid point 299 (123/424) ======================= q-point: ( 0.53 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( -0.541 -4.718 -3.918) 6.156 4.572 ( 21.512 -3.826 -4.308) 22.270 4.833 ( 20.163 -7.064 -3.489) 21.647 5.008 ( -2.159 12.715 4.283) 13.589 5.326 ( 1.348 0.116 7.607) 7.726 5.917 ( 4.839 -29.856 -7.318) 31.118 7.119 ( -10.059 -3.827 2.198) 10.984 7.239 ( -4.789 -1.321 12.603) 13.547 7.463 ( -12.649 -12.268 -5.536) 18.470 7.802 ( -1.916 -0.126 -5.598) 5.919 7.841 ( -2.130 2.758 0.942) 3.610 8.629 ( -3.140 -4.950 3.687) 6.925 8.801 ( 10.385 -3.735 -5.518) 12.338 9.333 ( 4.398 -4.605 2.081) 6.699 9.512 ( -5.875 -2.389 6.344) 8.970 9.909 ( -9.688 8.031 -7.693) 14.749 56.225 ( 0.521 0.471 -0.010) 0.703 56.561 ( 0.355 0.434 -0.051) 0.563 ======================= Grid point 300 (124/424) ======================= q-point: ( 0.60 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.033 ( -2.753 -3.732 3.257) 5.667 4.546 ( -4.392 15.443 0.014) 16.055 4.710 ( 3.607 12.600 10.821) 16.996 5.275 ( 24.535 -1.792 -12.842) 27.750 5.362 ( 2.936 -12.430 4.024) 13.391 6.464 ( 6.882 -21.040 -14.173) 26.285 7.100 ( -5.331 -4.276 10.535) 12.558 7.302 ( -3.206 -5.064 5.108) 7.875 7.525 ( -14.238 -9.845 -2.050) 17.431 7.652 ( -3.884 4.220 -4.205) 7.112 7.876 ( 0.121 -1.132 2.803) 3.025 8.667 ( 1.440 -0.602 -3.263) 3.618 8.979 ( 8.622 -6.900 -2.500) 11.322 9.435 ( 4.171 1.587 6.624) 7.987 9.513 ( -6.723 -5.591 0.735) 8.775 9.731 ( -8.853 0.358 -1.349) 8.963 56.220 ( 0.292 0.568 -0.009) 0.638 56.555 ( 0.160 0.497 -0.087) 0.529 ======================= Grid point 301 (125/424) ======================= q-point: (-0.33 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.046 ( -5.254 0.670 8.799) 10.270 4.187 ( -7.523 17.132 -2.301) 18.852 4.485 ( -0.902 15.894 9.058) 18.316 5.373 ( 0.955 -2.935 -4.502) 5.458 5.746 ( 24.418 -8.878 -4.547) 26.376 6.638 ( -1.005 -4.812 -13.595) 14.457 7.235 ( 3.569 -2.882 4.724) 6.585 7.327 ( -3.104 -1.295 -0.896) 3.480 7.516 ( -6.081 -1.214 8.857) 10.812 7.631 ( -5.934 -6.142 -3.476) 9.220 7.916 ( -1.299 -3.611 5.810) 6.963 8.662 ( 1.969 1.845 -6.270) 6.826 9.175 ( 9.082 -6.672 -6.432) 12.975 9.407 ( -2.592 0.080 3.913) 4.694 9.601 ( 0.635 -4.555 2.785) 5.377 9.719 ( -10.308 -8.703 4.530) 14.231 56.211 ( 0.114 0.622 -0.004) 0.632 56.547 ( 0.034 0.510 -0.099) 0.521 ======================= Grid point 302 (126/424) ======================= q-point: (-0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -7.631 7.735 11.855) 16.082 3.797 ( -7.256 17.562 -5.549) 19.796 4.236 ( -2.118 12.313 5.915) 13.823 5.368 ( 1.925 4.028 -1.502) 4.711 6.030 ( 11.505 -4.878 -8.747) 15.253 6.682 ( 5.836 -2.194 -9.673) 11.509 7.138 ( -8.982 5.316 -1.658) 10.568 7.404 ( 5.651 0.490 6.912) 8.942 7.512 ( 0.388 0.166 4.687) 4.706 7.664 ( -1.697 -2.651 0.485) 3.185 8.027 ( 0.091 -7.141 7.970) 10.702 8.580 ( -2.209 5.451 -7.364) 9.425 9.300 ( 7.663 -0.908 -10.728) 13.215 9.469 ( -0.897 -6.446 4.026) 7.653 9.681 ( 1.129 -2.703 5.397) 6.141 9.880 ( -10.547 -19.224 3.690) 22.236 56.201 ( 0.015 0.630 0.002) 0.630 56.538 ( -0.009 0.478 -0.096) 0.488 ======================= Grid point 303 (127/424) ======================= q-point: (-0.20 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -6.944 14.781 12.338) 20.467 3.417 ( -4.204 16.858 -5.299) 18.164 4.051 ( -2.081 7.782 1.337) 8.165 5.269 ( 3.925 9.907 0.367) 10.663 6.098 ( -0.349 -1.635 -10.858) 10.986 6.629 ( 0.881 14.320 -10.573) 17.822 7.021 ( 1.223 0.211 4.041) 4.228 7.407 ( 5.361 4.805 8.703) 11.295 7.571 ( 0.946 -2.417 7.343) 7.788 7.754 ( 5.897 -6.855 -3.933) 9.861 8.192 ( 0.453 -7.078 7.692) 10.463 8.406 ( -4.724 6.356 -7.398) 10.837 9.327 ( 3.465 0.330 -7.004) 7.821 9.554 ( -4.044 -3.278 4.221) 6.702 9.766 ( 4.326 -2.333 7.538) 8.999 10.182 ( -10.259 -24.436 -4.556) 26.891 56.190 ( 0.012 0.595 0.003) 0.595 56.529 ( 0.024 0.415 -0.089) 0.425 ======================= Grid point 304 (128/424) ======================= q-point: (-0.13 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -0.161 19.502 8.970) 21.466 3.113 ( 2.270 15.629 1.335) 15.849 3.921 ( -2.974 3.538 -6.367) 7.868 5.091 ( 5.029 15.993 1.958) 16.879 6.065 ( -2.262 0.147 -8.588) 8.882 6.215 ( -2.111 25.357 -3.752) 25.720 7.091 ( 6.691 -0.829 0.221) 6.746 7.426 ( 8.762 4.004 11.091) 14.691 7.659 ( -1.601 -6.724 4.001) 7.987 7.954 ( 5.989 -7.663 -3.278) 10.263 8.121 ( -6.415 7.640 -6.650) 11.990 8.437 ( 2.318 -8.227 4.729) 9.768 9.324 ( 0.379 0.211 -3.579) 3.605 9.532 ( -7.221 0.989 6.245) 9.598 9.883 ( 2.925 -3.484 10.677) 11.605 10.475 ( -10.714 -22.190 -13.920) 28.301 56.180 ( 0.110 0.521 -0.001) 0.532 56.523 ( 0.116 0.336 -0.083) 0.365 ======================= Grid point 305 (129/424) ======================= q-point: (-0.07 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 13.355 20.098 1.446) 24.174 2.913 ( 9.957 16.051 10.923) 21.819 3.834 ( -3.390 -0.884 -15.499) 15.890 4.780 ( 5.084 25.940 2.436) 26.546 5.749 ( 9.211 28.232 1.286) 29.724 6.027 ( -7.715 -1.749 -0.018) 7.911 7.164 ( 5.679 -1.620 -4.094) 7.186 7.484 ( 8.566 1.849 7.813) 11.740 7.784 ( -5.105 -0.790 -0.226) 5.171 7.841 ( -2.260 2.970 -1.449) 4.004 8.171 ( 4.000 -6.736 -2.975) 8.380 8.614 ( 1.278 -7.969 2.141) 8.350 9.306 ( -3.127 -0.206 -0.716) 3.215 9.432 ( -9.993 3.132 8.464) 13.465 9.988 ( -1.835 -3.379 14.183) 14.695 10.675 ( -10.712 -17.919 -21.948) 30.291 56.174 ( 0.300 0.413 -0.005) 0.510 56.519 ( 0.255 0.249 -0.077) 0.364 ======================= Grid point 311 (130/424) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 21.019 -0.000 17.092) 27.092 3.504 ( 3.151 -0.000 -31.081) 31.240 3.554 ( 9.447 -0.000 -14.906) 17.648 3.887 ( 45.181 -0.000 -19.781) 49.322 5.928 ( 4.255 -0.000 30.816) 31.109 6.355 ( -2.077 0.000 21.283) 21.384 6.891 ( -5.817 0.000 2.117) 6.190 7.009 ( -18.782 0.000 -5.112) 19.465 7.081 ( -1.812 0.000 4.910) 5.234 7.475 ( -6.360 0.000 -8.900) 10.939 8.185 ( 3.103 -0.000 -7.154) 7.798 8.388 ( 3.042 -0.000 2.305) 3.816 8.444 ( -14.795 0.000 6.276) 16.071 9.060 ( 4.124 -0.000 -5.739) 7.067 9.489 ( -3.293 0.000 4.530) 5.601 10.832 ( -14.852 0.000 -18.468) 23.699 56.227 ( 1.083 -0.000 0.017) 1.084 56.566 ( 0.858 -0.000 0.079) 0.861 ======================= Grid point 312 (131/424) ======================= q-point: ( 0.40 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 12.997 -0.445 7.222) 14.875 3.513 ( 12.870 -11.088 -11.528) 20.530 3.834 ( 6.456 -21.107 -16.879) 27.786 4.264 ( 40.757 -2.542 -17.064) 44.258 5.855 ( -18.994 7.864 21.540) 29.776 6.233 ( 3.176 15.424 9.325) 18.301 6.917 ( -10.234 -3.709 0.268) 10.888 6.947 ( -5.097 -8.536 4.707) 11.000 7.190 ( 2.898 -8.533 9.076) 12.790 7.404 ( -5.653 -1.690 -7.757) 9.746 8.158 ( -2.207 2.087 -6.332) 7.023 8.357 ( -8.081 -2.269 8.159) 11.705 8.482 ( -0.035 -6.360 1.397) 6.511 9.103 ( 7.960 -0.741 -8.339) 11.552 9.487 ( 0.500 0.417 5.012) 5.054 10.577 ( -15.757 6.190 -16.474) 23.622 56.235 ( 0.918 0.134 0.011) 0.928 56.572 ( 0.719 0.137 0.018) 0.732 ======================= Grid point 313 (132/424) ======================= q-point: ( 0.47 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 5.940 2.941 -1.778) 6.862 3.999 ( 14.648 -23.300 2.290) 27.617 4.321 ( 11.314 -29.967 -13.877) 34.908 4.651 ( 32.405 -7.495 -12.374) 35.488 5.522 ( -19.333 11.807 10.578) 25.002 5.989 ( 0.583 17.052 7.792) 18.757 6.907 ( -10.199 -5.754 -1.498) 11.806 7.056 ( -7.312 -8.906 5.333) 12.697 7.294 ( -2.680 1.224 6.406) 7.051 7.507 ( 2.855 -12.487 -1.306) 12.876 8.042 ( -4.780 4.579 -4.122) 7.798 8.396 ( -5.959 -5.907 8.831) 12.181 8.617 ( 1.999 -7.647 -1.606) 8.065 9.186 ( 9.277 -1.957 -8.476) 12.717 9.505 ( 2.709 1.177 5.876) 6.576 10.250 ( -14.873 8.970 -12.575) 21.443 56.239 ( 0.689 0.289 0.004) 0.748 56.574 ( 0.514 0.287 -0.054) 0.591 ======================= Grid point 314 (133/424) ======================= q-point: ( 0.53 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 4.187 0.266 2.666) 4.971 4.502 ( 9.840 -19.946 0.449) 22.246 4.861 ( 19.128 -9.333 -9.735) 23.404 5.130 ( 8.188 -12.054 -1.132) 14.616 5.234 ( -2.308 -8.475 0.816) 8.821 5.708 ( -2.456 12.884 3.464) 13.566 6.904 ( -11.883 -6.304 -3.788) 13.975 7.159 ( -7.503 -8.590 7.682) 13.751 7.255 ( -3.553 1.042 6.956) 7.880 7.713 ( 0.881 -7.587 -6.414) 9.973 7.914 ( -0.671 5.169 1.636) 5.463 8.488 ( -4.628 -7.495 6.470) 10.929 8.772 ( 4.770 -7.051 -3.819) 9.330 9.288 ( 5.962 -3.474 -6.355) 9.381 9.522 ( 3.477 2.350 6.403) 7.656 9.934 ( -12.391 8.307 -7.518) 16.706 56.238 ( 0.437 0.436 0.000) 0.617 56.571 ( 0.288 0.416 -0.115) 0.518 ======================= Grid point 315 (134/424) ======================= q-point: ( 0.60 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.009 ( 3.322 -1.050 8.573) 9.254 4.751 ( -4.555 12.152 -1.564) 13.072 4.892 ( 8.005 -6.602 2.386) 10.647 5.151 ( -10.407 0.634 4.907) 11.523 5.485 ( 22.832 -0.815 -10.609) 25.190 5.993 ( 5.478 -34.121 -6.330) 35.133 6.890 ( -13.188 -7.274 -0.512) 15.070 7.221 ( -5.392 -1.843 12.629) 13.855 7.297 ( -1.162 -7.730 1.147) 7.901 7.698 ( -2.199 3.356 -7.588) 8.584 7.908 ( 4.040 0.712 3.687) 5.516 8.592 ( -2.539 -6.054 1.618) 6.761 8.932 ( 6.071 -6.530 -4.091) 9.810 9.369 ( -2.387 -4.365 -2.844) 5.731 9.533 ( 5.936 2.565 5.823) 8.701 9.697 ( -8.761 5.246 -3.005) 10.645 56.232 ( 0.200 0.550 0.001) 0.585 56.565 ( 0.094 0.498 -0.149) 0.528 ======================= Grid point 316 (135/424) ======================= q-point: (-0.33 -0.67 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.073 ( 2.403 0.877 11.692) 11.969 4.421 ( -5.687 17.028 -4.083) 18.411 4.746 ( -7.747 15.594 3.897) 17.844 5.250 ( 0.448 -11.216 -0.136) 11.226 5.771 ( 14.950 -8.259 -2.830) 17.313 6.451 ( 2.469 -14.623 -14.704) 20.884 6.989 ( -11.830 -16.875 4.512) 21.097 7.259 ( -2.749 -3.993 6.768) 8.325 7.446 ( 6.533 -4.299 -0.449) 7.834 7.616 ( 0.959 1.566 0.926) 2.056 7.925 ( 2.697 1.791 3.742) 4.948 8.645 ( -1.592 -2.224 -4.012) 4.856 9.097 ( 5.359 -7.659 -4.139) 10.223 9.351 ( -8.336 -0.797 0.065) 8.374 9.569 ( -8.015 -0.022 1.915) 8.240 9.612 ( 9.654 -0.910 3.458) 10.294 56.223 ( 0.018 0.614 0.004) 0.615 56.555 ( -0.028 0.521 -0.153) 0.544 ======================= Grid point 317 (136/424) ======================= q-point: (-0.27 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( 1.742 6.092 10.993) 12.688 4.027 ( -6.627 18.401 -8.401) 21.286 4.429 ( -7.789 12.354 4.210) 15.199 5.405 ( 4.153 -3.510 -0.414) 5.454 5.942 ( -5.606 -5.627 0.472) 7.957 6.628 ( 7.313 -8.001 -11.512) 15.812 7.108 ( -6.572 -3.508 -1.713) 7.644 7.364 ( -1.037 -6.982 7.968) 10.645 7.517 ( 5.784 -2.062 -8.436) 10.434 7.699 ( 6.978 1.007 11.461) 13.456 7.971 ( 4.098 -3.826 5.624) 7.941 8.601 ( -3.771 2.807 -8.441) 9.662 9.261 ( -0.214 -5.303 -6.366) 8.288 9.338 ( -1.379 -8.789 0.882) 8.941 9.521 ( -9.561 -2.541 4.768) 10.982 9.749 ( 8.516 -2.816 4.030) 9.833 56.211 ( -0.082 0.623 0.008) 0.629 56.546 ( -0.063 0.491 -0.134) 0.513 ======================= Grid point 318 (137/424) ======================= q-point: (-0.20 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 3.352 12.208 7.654) 14.794 3.631 ( -5.696 15.911 -9.463) 19.369 4.188 ( -5.073 9.680 3.352) 11.431 5.449 ( 6.538 4.049 0.094) 7.690 5.916 ( -17.042 -5.303 -0.173) 17.848 6.730 ( -0.319 0.879 -12.096) 12.132 7.101 ( 8.332 0.815 1.676) 8.538 7.468 ( 0.792 -2.236 5.932) 6.389 7.638 ( 7.545 -5.994 -5.034) 10.872 7.722 ( 4.012 3.764 11.445) 12.698 8.144 ( 7.871 -5.287 6.953) 11.758 8.433 ( -7.376 6.323 -10.865) 14.575 9.284 ( -4.247 -3.014 -1.092) 5.321 9.494 ( -6.859 -2.147 5.556) 9.084 9.591 ( -1.615 -17.184 -4.743) 17.900 9.889 ( 6.550 -4.137 2.747) 8.220 56.200 ( -0.082 0.580 0.007) 0.586 56.537 ( -0.019 0.424 -0.106) 0.437 ======================= Grid point 319 (138/424) ======================= q-point: (-0.13 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 9.447 16.443 2.644) 19.147 3.337 ( -0.647 10.827 -5.621) 12.216 3.994 ( -3.910 8.324 -0.450) 9.208 5.393 ( 8.433 10.324 0.831) 13.356 5.841 ( -21.449 -6.900 1.587) 22.587 6.540 ( -0.806 13.143 -12.042) 17.844 7.207 ( 11.784 1.546 1.319) 11.958 7.548 ( 4.597 -3.636 6.517) 8.765 7.685 ( 6.021 6.382 12.341) 15.142 7.854 ( 5.066 -8.782 -3.699) 10.792 8.177 ( -5.810 7.864 -8.920) 13.236 8.347 ( 3.801 -5.883 3.626) 7.887 9.279 ( -5.417 -1.677 0.586) 5.701 9.469 ( -11.199 -2.033 8.747) 14.355 9.831 ( 1.552 -9.697 -1.693) 9.965 10.054 ( 1.310 -11.257 -6.486) 13.057 56.190 ( 0.021 0.494 0.002) 0.494 56.530 ( 0.084 0.339 -0.079) 0.358 ======================= Grid point 320 (139/424) ======================= q-point: (-0.07 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( 20.072 17.724 -4.360) 27.129 3.216 ( 7.194 6.553 3.704) 10.412 3.812 ( -3.810 6.500 -8.704) 11.512 5.239 ( 9.172 17.526 1.940) 19.876 5.766 ( -23.419 -7.359 5.988) 25.268 6.252 ( 6.795 17.698 -9.740) 21.314 7.256 ( 8.674 3.483 0.886) 9.389 7.656 ( 4.175 5.421 4.298) 8.080 7.723 ( 8.652 -4.836 9.576) 13.782 7.889 ( -6.258 5.582 -2.962) 8.893 8.088 ( 3.636 -5.562 -6.367) 9.203 8.492 ( 0.873 -6.423 1.927) 6.762 9.246 ( -7.697 -1.013 2.095) 8.041 9.393 ( -12.241 1.023 9.681) 15.640 9.956 ( -0.644 -3.472 7.935) 8.685 10.248 ( -2.656 -14.658 -18.764) 23.958 56.183 ( 0.213 0.373 -0.006) 0.430 56.526 ( 0.229 0.245 -0.052) 0.339 ======================= Grid point 327 (140/424) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 13.731 -0.000 13.874) 19.520 3.493 ( 8.683 -0.000 -12.773) 15.445 3.613 ( 6.371 -0.000 -12.886) 14.375 4.569 ( 36.767 -0.000 -14.632) 39.571 5.760 ( -24.834 0.000 11.773) 27.483 6.415 ( -2.023 0.000 4.152) 4.618 6.766 ( -6.121 0.000 -0.535) 6.144 6.940 ( 2.556 -0.000 12.781) 13.034 7.111 ( -0.864 0.000 1.968) 2.150 7.337 ( -2.517 0.000 -2.540) 3.577 8.125 ( -5.496 0.000 -3.836) 6.702 8.284 ( -7.447 0.000 10.672) 13.013 8.438 ( 1.321 -0.000 0.653) 1.474 9.163 ( 11.446 -0.000 -11.140) 15.972 9.535 ( 5.803 -0.000 4.735) 7.489 10.425 ( -17.718 0.000 -15.072) 23.261 56.244 ( 0.749 -0.000 0.011) 0.749 56.580 ( 0.570 -0.000 -0.055) 0.572 ======================= Grid point 328 (141/424) ======================= q-point: ( 0.47 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 6.022 7.541 5.077) 10.905 3.753 ( 10.304 -17.988 1.285) 20.770 3.858 ( 7.724 -22.548 -8.737) 25.385 4.861 ( 29.641 -1.435 -11.138) 31.697 5.510 ( -20.025 5.470 4.673) 21.278 6.272 ( -2.866 12.619 1.935) 13.084 6.739 ( -5.825 -2.615 -2.137) 6.733 6.941 ( -3.906 -0.570 7.265) 8.268 7.270 ( -1.822 -13.037 -4.407) 13.882 7.331 ( 2.057 0.174 8.796) 9.036 8.054 ( -3.638 1.839 -0.148) 4.079 8.276 ( -7.129 -3.325 10.314) 12.972 8.499 ( 0.597 -5.692 -0.498) 5.745 9.241 ( 10.857 -0.177 -11.383) 15.732 9.614 ( 10.987 1.906 4.380) 11.980 10.178 ( -17.399 4.168 -11.695) 21.375 56.249 ( 0.516 0.167 0.010) 0.542 56.582 ( 0.360 0.167 -0.134) 0.418 ======================= Grid point 329 (142/424) ======================= q-point: ( 0.53 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( 5.112 4.128 8.294) 10.581 4.163 ( 2.008 -22.987 -2.642) 23.225 4.483 ( 11.498 -34.801 -0.923) 36.663 5.087 ( 13.568 -0.926 -5.343) 14.611 5.263 ( -8.132 5.764 1.192) 10.039 5.977 ( -2.099 16.312 -2.896) 16.699 6.723 ( -5.515 -2.668 -4.149) 7.399 6.985 ( -4.484 -6.772 6.251) 10.249 7.290 ( -2.572 2.217 8.008) 8.698 7.514 ( -1.234 -11.626 -4.760) 12.624 8.004 ( 1.782 3.253 4.040) 5.484 8.331 ( -5.691 -6.881 7.987) 11.981 8.636 ( 0.569 -9.116 -1.577) 9.269 9.298 ( 6.493 -0.225 -9.782) 11.743 9.681 ( 12.280 4.925 3.150) 13.600 9.913 ( -13.192 5.434 -6.562) 15.704 56.248 ( 0.258 0.333 0.010) 0.422 56.580 ( 0.135 0.322 -0.195) 0.400 ======================= Grid point 330 (143/424) ======================= q-point: (-0.40 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 5.864 1.206 13.509) 14.777 4.581 ( -1.136 -23.572 -1.169) 23.628 4.903 ( -3.444 6.678 -3.051) 8.110 5.208 ( -3.756 6.074 -1.555) 7.309 5.276 ( 3.194 -33.742 -3.110) 34.036 5.754 ( 7.104 5.167 -3.095) 9.314 6.710 ( -3.575 -2.649 -5.394) 6.993 7.119 ( -2.410 -8.132 9.600) 12.810 7.252 ( -1.240 0.496 7.998) 8.109 7.628 ( -2.525 -5.766 -10.807) 12.507 7.999 ( 4.946 2.931 7.201) 9.215 8.445 ( -3.156 -8.020 4.133) 9.559 8.809 ( 0.914 -9.825 -2.214) 10.113 9.310 ( 0.316 -0.138 -7.152) 7.161 9.637 ( -5.915 4.304 1.335) 7.436 9.771 ( 9.796 6.795 -0.925) 11.958 56.242 ( 0.017 0.469 0.011) 0.469 56.573 ( -0.054 0.430 -0.222) 0.487 ======================= Grid point 331 (144/424) ======================= q-point: (-0.33 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( 6.812 1.161 15.409) 16.888 4.639 ( -4.176 13.228 -4.820) 14.685 4.863 ( -18.225 6.218 -2.225) 19.384 5.016 ( 2.990 -11.765 -0.165) 12.140 5.695 ( -0.640 -10.364 -3.624) 10.998 6.024 ( 1.464 -26.307 -3.366) 26.561 6.746 ( 1.894 -5.036 -3.021) 6.171 7.182 ( -5.410 -2.721 10.889) 12.460 7.418 ( 10.558 -9.393 4.481) 14.824 7.628 ( -0.536 -0.324 -9.484) 9.505 8.017 ( 4.472 2.955 6.706) 8.585 8.548 ( -2.478 -5.400 -0.623) 5.974 8.973 ( 0.097 -8.676 -2.382) 8.997 9.268 ( -5.591 0.112 -3.634) 6.669 9.526 ( -6.052 1.510 1.826) 6.499 9.779 ( 14.862 5.758 0.970) 15.968 56.233 ( -0.167 0.551 0.014) 0.576 56.563 ( -0.167 0.473 -0.213) 0.545 ======================= Grid point 332 (145/424) ======================= q-point: (-0.27 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 8.125 4.388 12.254) 15.344 4.268 ( -8.198 19.216 -9.072) 22.776 4.537 ( -11.133 9.401 -0.565) 14.582 5.294 ( 1.406 -12.564 1.039) 12.685 5.758 ( -15.258 -5.505 7.570) 17.900 6.400 ( -0.569 -18.116 -15.540) 23.875 6.933 ( 5.876 -10.497 2.318) 12.251 7.249 ( -2.403 -6.382 7.359) 10.033 7.565 ( 6.067 2.595 -8.718) 10.934 7.756 ( 11.185 -9.633 6.096) 15.971 8.011 ( 3.244 3.216 6.765) 8.163 8.567 ( -3.236 -0.369 -6.113) 6.926 9.094 ( -4.667 -7.751 -1.717) 9.208 9.210 ( -6.231 -1.797 0.211) 6.489 9.479 ( -1.382 0.089 0.232) 1.404 9.854 ( 13.987 2.186 3.109) 14.494 56.220 ( -0.264 0.570 0.014) 0.628 56.552 ( -0.192 0.452 -0.177) 0.522 ======================= Grid point 333 (146/424) ======================= q-point: (-0.20 -0.60 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.239 ( 11.169 9.570 5.567) 15.727 3.825 ( -9.071 16.957 -10.154) 21.747 4.303 ( -6.282 8.759 1.848) 10.936 5.472 ( -1.708 -7.096 1.656) 7.484 5.678 ( -18.084 -2.021 8.639) 20.143 6.587 ( -3.442 -10.025 -15.736) 18.973 7.155 ( 8.433 -5.353 3.107) 10.460 7.395 ( 0.189 -8.222 6.956) 10.771 7.588 ( 7.089 -1.915 -9.168) 11.746 7.906 ( 6.278 5.475 12.665) 15.159 8.119 ( 6.528 -8.432 1.464) 10.763 8.456 ( -3.816 6.044 -10.107) 12.379 9.159 ( -6.328 -6.952 0.520) 9.415 9.221 ( -11.593 -6.413 4.221) 13.904 9.520 ( 6.432 -3.139 -3.194) 7.838 9.960 ( 11.238 1.120 3.747) 11.899 56.208 ( -0.257 0.527 0.011) 0.587 56.543 ( -0.137 0.387 -0.131) 0.431 ======================= Grid point 334 (147/424) ======================= q-point: (-0.13 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 16.970 13.899 -1.403) 21.980 3.482 ( -4.483 10.854 -7.723) 14.056 4.106 ( -4.708 8.500 1.478) 9.829 5.488 ( -25.224 -7.265 9.005) 27.751 5.609 ( 5.338 3.827 1.552) 6.749 6.591 ( -4.145 -0.085 -14.355) 14.942 7.316 ( 9.635 -2.129 2.926) 10.292 7.544 ( 3.720 -4.047 6.269) 8.337 7.710 ( 4.436 -7.810 -6.569) 11.128 7.903 ( 6.632 4.907 13.733) 16.020 8.185 ( -10.408 3.338 -12.426) 16.549 8.364 ( 9.598 -0.085 1.802) 9.766 9.186 ( -8.684 -2.203 3.862) 9.755 9.254 ( -11.964 -9.236 4.454) 15.757 9.681 ( 7.863 -7.738 -5.572) 12.359 10.036 ( 7.132 1.080 2.420) 7.608 56.198 ( -0.147 0.434 0.003) 0.458 56.536 ( -0.025 0.298 -0.085) 0.311 ======================= Grid point 335 (148/424) ======================= q-point: (-0.07 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( 25.059 15.500 -8.043) 30.544 3.336 ( 2.852 2.917 -2.145) 4.609 3.912 ( -3.703 9.220 -1.826) 10.102 5.391 ( -28.462 -8.465 10.872) 31.622 5.579 ( 9.849 9.368 1.350) 13.660 6.468 ( 0.530 6.694 -13.097) 14.718 7.397 ( 6.141 2.494 3.840) 7.660 7.674 ( 5.648 -3.409 3.080) 7.281 7.863 ( -2.134 -4.286 -0.286) 4.796 7.901 ( 4.987 6.212 6.856) 10.511 8.008 ( -0.229 -1.173 -8.742) 8.823 8.452 ( 2.443 -0.940 2.558) 3.660 9.137 ( -11.192 -2.086 2.621) 11.682 9.292 ( -8.433 -3.482 7.413) 11.756 9.866 ( 3.586 -7.606 -4.192) 9.396 10.079 ( 2.586 -1.268 -2.388) 3.742 56.191 ( 0.052 0.304 -0.008) 0.308 56.532 ( 0.124 0.198 -0.046) 0.238 ======================= Grid point 343 (149/424) ======================= q-point: ( 0.47 0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( -3.659 0.000 0.861) 3.759 3.667 ( 11.209 -0.000 5.836) 12.637 3.728 ( 10.524 -0.000 -0.170) 10.526 5.063 ( 20.784 -0.000 -7.868) 22.223 5.388 ( -15.614 0.000 -0.860) 15.638 6.349 ( -4.706 0.000 -1.826) 5.048 6.680 ( -2.280 0.000 -0.860) 2.436 7.008 ( -3.020 0.000 7.056) 7.675 7.011 ( -5.221 0.000 -9.238) 10.611 7.395 ( 4.338 -0.000 9.319) 10.279 8.045 ( -2.123 0.000 4.941) 5.377 8.211 ( -6.404 0.000 9.424) 11.394 8.445 ( -0.404 0.000 -1.068) 1.142 9.299 ( 7.879 -0.000 -10.896) 13.446 9.784 ( 17.267 -0.000 1.928) 17.374 10.018 ( -16.524 0.000 -8.634) 18.644 56.254 ( 0.278 -0.000 0.015) 0.278 56.586 ( 0.148 -0.000 -0.214) 0.260 ======================= Grid point 344 (150/424) ======================= q-point: (-0.47 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.149 ( -4.308 0.287 3.277) 5.421 3.829 ( 4.204 -10.976 1.244) 11.819 4.099 ( 11.362 -22.222 8.007) 26.211 5.164 ( 1.028 2.102 -4.222) 4.827 5.262 ( -2.149 0.664 -2.492) 3.357 6.184 ( -3.536 11.340 -7.944) 14.291 6.677 ( 0.689 -0.223 -2.178) 2.295 6.878 ( -4.205 -1.318 1.906) 4.801 7.163 ( -6.189 -11.661 -4.557) 13.966 7.444 ( 3.441 1.880 9.873) 10.623 8.069 ( 2.194 -0.970 7.009) 7.409 8.207 ( -4.462 -2.731 7.877) 9.456 8.489 ( -1.025 -6.057 -1.663) 6.365 9.322 ( 3.850 0.313 -10.098) 10.812 9.785 ( -12.984 2.725 -3.946) 13.842 9.976 ( 18.938 3.642 -0.186) 19.286 56.254 ( 0.017 0.179 0.020) 0.181 56.584 ( -0.073 0.171 -0.270) 0.328 ======================= Grid point 345 (151/424) ======================= q-point: (-0.40 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.170 ( -0.630 -2.714 10.605) 10.965 4.130 ( -2.125 -20.889 -0.848) 21.014 4.666 ( 5.955 -28.396 1.291) 29.043 5.040 ( -4.993 4.518 -0.037) 6.734 5.226 ( -7.547 2.569 -2.124) 8.251 5.924 ( -0.194 10.726 -7.121) 12.876 6.681 ( 3.439 0.182 -4.628) 5.768 6.981 ( 1.502 -9.307 4.642) 10.508 7.232 ( -7.265 -3.897 1.029) 8.308 7.483 ( 1.565 -2.854 0.704) 3.330 8.127 ( 6.434 2.368 7.871) 10.438 8.284 ( -2.981 -7.768 4.640) 9.527 8.620 ( -1.130 -9.987 -1.548) 10.170 9.298 ( -0.703 1.050 -9.294) 9.379 9.611 ( -10.877 2.686 0.860) 11.237 10.064 ( 21.052 8.056 -1.476) 22.589 56.249 ( -0.226 0.335 0.024) 0.404 56.577 ( -0.254 0.303 -0.288) 0.489 ======================= Grid point 346 (152/424) ======================= q-point: (-0.33 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( 3.081 -3.115 14.529) 15.175 4.470 ( -7.173 -20.829 -5.043) 22.599 4.851 ( -1.147 7.356 0.875) 7.496 4.950 ( -15.952 5.884 -11.847) 20.723 5.267 ( -5.736 -24.890 1.262) 25.573 5.832 ( -0.240 -1.676 5.266) 5.531 6.731 ( 7.493 -2.139 -5.826) 9.729 7.142 ( -1.367 -1.191 8.996) 9.177 7.302 ( 2.569 -12.640 -0.888) 12.929 7.562 ( 3.231 -3.600 -4.871) 6.865 8.154 ( 6.440 3.856 8.265) 11.165 8.412 ( -1.942 -7.427 0.727) 7.711 8.787 ( -1.876 -10.213 -1.403) 10.478 9.223 ( -4.835 1.563 -6.193) 8.011 9.503 ( -5.710 1.270 2.502) 6.362 10.089 ( 20.154 9.895 -1.376) 22.495 56.239 ( -0.409 0.439 0.026) 0.601 56.567 ( -0.358 0.371 -0.264) 0.579 ======================= Grid point 347 (153/424) ======================= q-point: (-0.27 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( 5.937 -0.864 11.311) 12.804 4.471 ( -15.324 17.007 -8.303) 24.352 4.551 ( -4.928 2.188 -7.696) 9.396 5.006 ( -4.165 -16.816 2.440) 17.495 5.465 ( -20.760 -10.978 6.154) 24.277 6.027 ( 0.227 -16.735 -1.757) 16.829 6.876 ( 9.888 -6.365 -2.357) 11.994 7.169 ( -0.293 -2.608 6.224) 6.755 7.545 ( -1.535 -8.931 -8.007) 12.093 7.694 ( 14.272 -6.624 0.868) 15.759 8.160 ( 5.852 5.018 8.803) 11.701 8.491 ( -2.226 -3.808 -3.210) 5.455 8.909 ( -5.336 -7.380 -1.293) 9.198 9.139 ( -5.783 0.258 -1.918) 6.098 9.468 ( -1.064 -0.399 0.732) 1.352 10.112 ( 19.270 8.063 1.237) 20.925 56.226 ( -0.501 0.475 0.025) 0.691 56.556 ( -0.371 0.370 -0.212) 0.565 ======================= Grid point 348 (154/424) ======================= q-point: (-0.20 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 7.629 2.333 0.611) 8.001 4.014 ( -9.207 17.810 -6.340) 21.027 4.401 ( -3.728 7.547 -1.703) 8.588 5.221 ( -15.396 -10.729 7.456) 20.193 5.458 ( -16.286 -11.228 9.142) 21.792 6.286 ( -1.408 -14.408 -13.613) 19.872 7.101 ( 6.339 -8.929 2.739) 11.287 7.285 ( 4.070 -6.691 4.511) 9.038 7.605 ( 3.587 -2.213 -7.985) 9.029 7.963 ( 6.641 -8.884 -1.927) 11.259 8.133 ( 4.507 6.227 10.231) 12.797 8.484 ( -0.089 1.198 -8.083) 8.172 8.949 ( -9.014 -6.109 1.068) 10.941 9.108 ( -4.976 -2.062 2.606) 5.984 9.509 ( 4.024 -2.951 -1.802) 5.306 10.170 ( 17.070 6.241 3.977) 18.605 56.213 ( -0.485 0.442 0.017) 0.656 56.547 ( -0.306 0.314 -0.150) 0.464 ======================= Grid point 349 (155/424) ======================= q-point: (-0.13 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.445 ( 2.171 3.841 -12.773) 13.514 3.688 ( 8.537 16.144 0.982) 18.288 4.219 ( -3.760 8.636 0.746) 9.448 5.141 ( -30.680 -5.544 16.778) 35.405 5.614 ( -0.166 -9.258 2.026) 9.478 6.424 ( -2.641 -8.231 -15.599) 17.834 7.298 ( 1.765 -7.751 6.116) 10.029 7.488 ( 7.939 -7.907 2.167) 11.413 7.670 ( 6.318 -1.947 -7.847) 10.261 8.033 ( -5.416 -0.217 -2.895) 6.145 8.110 ( 1.103 3.545 6.522) 7.504 8.453 ( 5.970 1.397 -6.637) 9.035 8.982 ( -11.088 -6.783 3.668) 13.506 9.126 ( -2.240 -3.062 4.432) 5.833 9.630 ( 6.345 -5.355 -2.329) 8.623 10.213 ( 12.976 6.910 4.505) 15.376 56.202 ( -0.363 0.349 0.005) 0.504 56.539 ( -0.187 0.226 -0.093) 0.308 ======================= Grid point 350 (156/424) ======================= q-point: (-0.07 -0.53 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.347 ( -0.669 1.406 -9.754) 9.878 3.598 ( 26.159 14.406 -3.725) 30.095 4.034 ( -3.177 8.609 -0.184) 9.179 5.004 ( -31.817 -7.466 17.945) 37.284 5.736 ( 4.090 -1.434 1.430) 4.564 6.453 ( -0.677 -2.229 -14.168) 14.358 7.436 ( -0.591 -4.211 7.381) 8.518 7.687 ( 6.826 -3.057 2.906) 8.024 7.757 ( 7.248 -6.192 -8.847) 13.006 7.898 ( -11.357 2.517 -12.264) 16.903 8.098 ( 5.005 2.771 11.382) 12.738 8.474 ( 0.632 0.471 -0.394) 0.881 8.989 ( -8.480 -3.966 1.857) 9.544 9.191 ( -2.080 -4.003 5.617) 7.204 9.781 ( 4.591 -5.859 -1.680) 7.631 10.190 ( 7.721 7.781 2.885) 11.334 56.195 ( -0.156 0.215 -0.009) 0.266 56.535 ( -0.036 0.124 -0.048) 0.138 ======================= Grid point 359 (157/424) ======================= q-point: (-0.47 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( -14.657 0.000 -5.122) 15.526 3.925 ( 6.664 -0.000 5.670) 8.750 3.952 ( 11.668 -0.000 14.972) 18.981 5.139 ( -5.975 0.000 -4.985) 7.781 5.248 ( -2.821 0.000 -0.801) 2.932 6.238 ( -2.747 0.000 -12.749) 13.041 6.673 ( 1.910 -0.000 -1.326) 2.325 6.872 ( -2.897 0.000 -9.234) 9.677 6.940 ( -6.087 0.000 5.979) 8.532 7.548 ( 5.283 -0.000 10.209) 11.495 8.056 ( -1.893 0.000 7.985) 8.207 8.217 ( 3.207 -0.000 7.234) 7.913 8.412 ( -1.952 0.000 -2.506) 3.177 9.318 ( 0.645 -0.000 -10.435) 10.455 9.666 ( -13.464 0.000 -0.588) 13.477 10.223 ( 24.230 -0.000 -2.019) 24.314 56.255 ( -0.247 0.000 0.030) 0.249 56.583 ( -0.288 0.000 -0.318) 0.429 ======================= Grid point 360 (158/424) ======================= q-point: (-0.40 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -15.481 -11.582 -2.035) 19.440 3.956 ( 4.402 -2.010 6.961) 8.478 4.312 ( 6.493 -18.749 6.773) 20.966 5.048 ( -7.369 1.685 -2.277) 7.895 5.171 ( -10.009 2.242 0.101) 10.257 6.063 ( -4.456 9.375 -11.267) 15.320 6.727 ( 5.027 0.350 -2.010) 5.425 6.840 ( 0.368 -7.004 -3.686) 7.923 7.026 ( -4.660 -8.586 1.582) 9.896 7.573 ( 4.667 4.582 8.550) 10.765 8.132 ( 0.566 -6.405 4.708) 7.969 8.266 ( 5.517 1.789 7.165) 9.218 8.447 ( -1.992 -6.853 -2.003) 7.412 9.273 ( -2.411 0.835 -9.962) 10.283 9.550 ( -9.513 0.944 3.010) 10.022 10.396 ( 23.956 5.438 -3.947) 24.881 56.250 ( -0.489 0.169 0.039) 0.519 56.577 ( -0.458 0.148 -0.324) 0.580 ======================= Grid point 361 (159/424) ======================= q-point: (-0.33 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.096 ( -11.841 -17.153 4.525) 21.329 4.103 ( -1.410 -11.461 -2.156) 11.747 4.694 ( -0.776 -16.462 -8.736) 18.652 4.920 ( -18.835 -2.348 -0.865) 19.001 5.007 ( -3.527 6.896 8.374) 11.407 5.852 ( -6.823 4.992 1.132) 8.530 6.760 ( 6.777 -0.328 -3.314) 7.551 7.035 ( -3.986 -13.456 -6.806) 15.597 7.143 ( 6.354 -4.565 4.371) 8.962 7.586 ( 7.092 0.730 4.672) 8.524 8.263 ( -0.913 -6.041 0.075) 6.110 8.305 ( 7.033 1.695 7.337) 10.304 8.587 ( -1.315 -10.065 -0.695) 10.175 9.191 ( -4.352 1.862 -6.955) 8.413 9.475 ( -5.526 0.554 3.439) 6.533 10.465 ( 22.649 9.764 -4.277) 25.032 56.240 ( -0.670 0.294 0.044) 0.733 56.568 ( -0.552 0.240 -0.287) 0.667 ======================= Grid point 362 (160/424) ======================= q-point: (-0.27 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( -7.522 -13.453 7.051) 16.949 4.298 ( -6.375 -16.910 -16.118) 24.215 4.541 ( -15.076 9.032 -12.699) 21.682 4.876 ( -1.719 3.617 12.060) 12.708 5.064 ( -16.675 -14.855 4.950) 22.874 5.812 ( -6.553 -7.010 7.348) 12.086 6.859 ( 8.464 -3.705 -3.169) 9.768 7.139 ( -2.268 -5.668 0.693) 6.144 7.339 ( 6.244 -8.001 -5.146) 11.379 7.731 ( 12.486 -4.839 2.074) 13.551 8.309 ( 3.946 1.575 5.435) 6.898 8.389 ( 0.780 -3.856 -0.236) 3.941 8.730 ( -2.880 -7.804 -1.161) 8.399 9.097 ( -4.904 1.644 -3.317) 6.145 9.448 ( -1.736 -0.697 1.811) 2.603 10.479 ( 21.795 10.668 -1.646) 24.322 56.228 ( -0.757 0.352 0.042) 0.835 56.557 ( -0.557 0.263 -0.222) 0.654 ======================= Grid point 363 (161/424) ======================= q-point: (-0.20 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.416 ( -9.123 -6.335 -3.456) 11.632 4.228 ( -2.762 11.622 -6.222) 13.469 4.419 ( -3.963 -4.402 -12.148) 13.515 4.897 ( -13.472 -9.048 12.689) 20.600 5.088 ( -21.125 -9.685 12.015) 26.162 5.984 ( -4.024 -15.283 -4.576) 16.453 7.015 ( 6.109 -6.151 -0.588) 8.689 7.256 ( 5.796 -5.520 2.977) 8.540 7.491 ( 1.947 -7.484 -7.524) 10.789 7.930 ( 9.546 -3.607 -2.442) 10.493 8.310 ( 3.017 5.280 8.892) 10.772 8.446 ( 1.296 -3.271 -6.077) 7.022 8.791 ( -5.282 -4.061 -0.236) 6.667 9.044 ( -3.373 -1.180 0.547) 3.615 9.483 ( 2.332 -2.834 -0.364) 3.688 10.504 ( 20.626 9.513 2.894) 22.898 56.215 ( -0.732 0.334 0.032) 0.805 56.547 ( -0.485 0.224 -0.149) 0.555 ======================= Grid point 364 (162/424) ======================= q-point: (-0.13 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.353 ( -12.492 -2.596 -13.287) 18.421 4.076 ( 15.165 11.228 -2.493) 19.033 4.327 ( -4.547 6.441 -0.069) 7.885 4.825 ( -30.069 -3.020 20.214) 36.358 5.277 ( -9.208 -21.644 2.359) 23.639 6.190 ( -1.899 -13.128 -11.638) 17.647 7.174 ( 1.444 -7.252 2.874) 7.933 7.452 ( 10.008 -6.908 1.828) 12.297 7.613 ( 1.947 -6.714 -7.484) 10.241 7.969 ( -1.850 2.226 -6.284) 6.919 8.245 ( -0.334 5.112 9.151) 10.487 8.489 ( 5.102 -0.006 -10.222) 11.425 8.811 ( -5.661 -4.570 3.874) 8.243 9.076 ( -0.096 -2.842 3.712) 4.676 9.586 ( 4.818 -4.953 -1.393) 7.049 10.530 ( 17.540 10.159 6.125) 21.175 56.203 ( -0.598 0.249 0.015) 0.648 56.540 ( -0.362 0.145 -0.088) 0.400 ======================= Grid point 365 (163/424) ======================= q-point: (-0.07 -0.47 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -7.514 -3.269 -9.807) 12.779 4.068 ( 23.684 10.930 -1.935) 26.156 4.152 ( -2.642 7.673 -3.988) 9.042 4.647 ( -31.576 -3.999 22.888) 39.203 5.561 ( -6.574 -16.835 0.537) 18.081 6.341 ( 2.180 -7.882 -11.993) 14.516 7.312 ( -2.872 -7.493 5.183) 9.553 7.677 ( 8.614 -7.516 -6.381) 13.093 7.706 ( 0.820 -3.871 -2.478) 4.669 7.836 ( -3.786 4.526 -7.251) 9.348 8.191 ( -1.902 2.664 9.267) 9.828 8.478 ( 0.499 1.339 -7.042) 7.185 8.871 ( -1.815 -4.554 3.354) 5.940 9.143 ( 0.999 -2.537 4.376) 5.156 9.722 ( 4.143 -5.323 -0.834) 6.797 10.490 ( 12.585 12.810 6.837) 19.216 56.195 ( -0.380 0.117 -0.003) 0.398 56.535 ( -0.212 0.046 -0.045) 0.221 ======================= Grid point 375 (164/424) ======================= q-point: (-0.40 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( -21.250 0.000 -4.914) 21.811 4.008 ( -1.432 0.000 4.800) 5.009 4.217 ( 8.385 -0.000 3.708) 9.169 4.925 ( -18.489 0.000 -3.464) 18.811 5.142 ( -3.570 0.000 5.908) 6.903 6.043 ( -12.549 0.000 -11.420) 16.967 6.704 ( 1.823 -0.000 -3.955) 4.354 6.843 ( 5.177 -0.000 -3.911) 6.488 6.934 ( 3.882 -0.000 6.054) 7.192 7.696 ( 4.416 -0.000 8.288) 9.391 8.102 ( 4.160 -0.000 3.354) 5.344 8.347 ( -3.075 0.000 -3.081) 4.353 8.361 ( 6.110 -0.000 7.075) 9.348 9.228 ( -2.804 0.000 -8.822) 9.257 9.488 ( -7.329 0.000 4.297) 8.496 10.659 ( 23.995 -0.000 -6.429) 24.842 56.246 ( -0.730 0.000 0.054) 0.732 56.572 ( -0.618 0.000 -0.319) 0.695 ======================= Grid point 376 (165/424) ======================= q-point: (-0.33 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.585 ( -21.602 -18.122 -2.346) 28.294 3.981 ( -5.189 -0.835 -1.128) 5.375 4.400 ( 0.999 -13.983 -8.345) 16.315 4.710 ( -20.806 1.040 -6.432) 21.803 5.111 ( -3.218 4.043 16.086) 16.895 5.825 ( -17.551 3.613 -1.001) 17.947 6.787 ( -0.433 -8.266 -4.307) 9.330 6.851 ( 9.096 2.994 -2.446) 9.883 7.120 ( 11.556 -7.871 1.842) 14.102 7.714 ( 5.423 3.541 6.491) 9.169 8.179 ( 2.994 -2.479 -0.600) 3.933 8.384 ( 0.960 -4.516 0.023) 4.617 8.442 ( 3.963 -2.980 5.412) 7.340 9.168 ( -2.859 1.463 -6.050) 6.850 9.441 ( -4.647 0.055 3.711) 5.947 10.807 ( 22.933 5.862 -7.569) 24.851 56.237 ( -0.909 0.138 0.065) 0.922 56.564 ( -0.701 0.107 -0.273) 0.760 ======================= Grid point 377 (166/424) ======================= q-point: (-0.27 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( -18.541 -27.005 2.089) 32.824 3.925 ( -14.746 -6.801 -17.103) 23.584 4.488 ( -15.967 1.225 -5.963) 17.088 4.644 ( -2.668 -16.480 -13.530) 21.489 5.015 ( -7.512 7.203 23.047) 25.288 5.647 ( -17.833 -1.839 9.401) 20.243 6.916 ( 12.360 0.305 -3.701) 12.906 6.937 ( -0.679 -10.395 -2.261) 10.659 7.354 ( 12.333 -3.836 -2.128) 13.090 7.778 ( 9.083 -2.303 4.357) 10.334 8.248 ( 0.463 -4.600 -2.079) 5.069 8.438 ( 2.505 0.479 2.321) 3.448 8.592 ( 2.934 -7.063 2.539) 8.058 9.087 ( -3.499 2.620 -3.335) 5.498 9.426 ( -1.050 -0.642 2.100) 2.434 10.860 ( 22.074 9.371 -5.603) 24.627 56.225 ( -0.992 0.216 0.066) 1.017 56.554 ( -0.700 0.155 -0.200) 0.744 ======================= Grid point 378 (167/424) ======================= q-point: (-0.20 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -18.572 -17.266 -1.509) 25.403 3.933 ( -17.709 -20.688 -18.523) 32.936 4.337 ( -7.498 1.202 -8.476) 11.381 4.766 ( -11.975 -3.866 -0.067) 12.584 4.910 ( -5.712 1.725 21.185) 22.009 5.626 ( -16.539 -12.648 3.270) 21.076 7.034 ( 12.675 -0.832 -3.878) 13.281 7.135 ( 2.438 -11.243 1.052) 11.552 7.472 ( 9.493 -0.308 -4.169) 10.373 7.943 ( 7.070 -4.285 -0.903) 8.316 8.347 ( 0.398 -5.025 2.333) 5.555 8.424 ( 0.365 1.909 -2.686) 3.315 8.723 ( 3.407 -2.924 2.534) 5.156 9.012 ( -2.291 0.821 -1.516) 2.867 9.459 ( 2.311 -2.029 0.496) 3.115 10.884 ( 21.478 9.848 -0.305) 23.630 56.212 ( -0.961 0.217 0.055) 0.987 56.545 ( -0.627 0.140 -0.124) 0.654 ======================= Grid point 379 (168/424) ======================= q-point: (-0.13 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( -19.629 -8.483 -12.597) 24.818 4.167 ( -9.324 -13.405 4.763) 17.009 4.242 ( -13.536 -6.285 -4.936) 15.719 4.670 ( -3.200 3.102 -1.215) 4.620 4.915 ( -9.217 -5.402 16.358) 19.538 5.792 ( -12.577 -21.181 -7.737) 25.820 7.144 ( 8.764 -0.930 -2.269) 9.101 7.380 ( 5.512 -11.245 3.219) 12.930 7.550 ( 7.498 -1.138 -6.224) 9.811 7.997 ( 0.332 1.753 -4.380) 4.729 8.296 ( -8.068 2.790 3.988) 9.423 8.499 ( 7.719 -2.756 -7.915) 11.394 8.756 ( -0.120 0.460 3.038) 3.075 9.046 ( 3.580 -3.134 2.444) 5.349 9.544 ( 4.223 -3.981 -0.723) 5.848 10.909 ( 19.469 10.531 5.277) 22.755 56.200 ( -0.819 0.146 0.034) 0.833 56.537 ( -0.505 0.077 -0.063) 0.515 ======================= Grid point 380 (169/424) ======================= q-point: (-0.07 -0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( -12.881 -9.703 -11.068) 19.560 4.085 ( -26.326 -4.263 10.539) 28.676 4.284 ( -6.097 2.468 14.044) 15.508 4.611 ( 14.637 6.549 -10.974) 19.431 5.114 ( -9.326 -21.603 3.461) 23.783 6.055 ( -6.497 -20.799 -8.975) 23.566 7.217 ( 1.851 -2.134 0.007) 2.826 7.591 ( -0.082 -2.563 -5.193) 5.791 7.651 ( 9.964 -7.998 1.007) 12.817 7.890 ( -1.997 5.308 -6.316) 8.488 8.205 ( -7.083 1.205 6.282) 9.543 8.516 ( 3.648 3.753 -10.254) 11.512 8.805 ( 1.796 -4.369 3.324) 5.776 9.146 ( 5.122 -1.633 3.859) 6.617 9.664 ( 3.837 -5.046 -0.783) 6.387 10.883 ( 15.045 13.680 8.332) 21.975 56.192 ( -0.591 0.021 0.011) 0.591 56.532 ( -0.360 -0.014 -0.028) 0.361 ======================= Grid point 391 (170/424) ======================= q-point: (-0.33 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -25.660 0.000 -2.939) 25.828 3.927 ( -8.979 0.000 1.984) 9.196 4.143 ( -17.772 0.000 -21.007) 27.516 4.554 ( -7.813 0.000 -12.469) 14.715 5.161 ( -7.969 0.000 23.443) 24.760 5.657 ( -22.017 0.000 4.894) 22.554 6.718 ( 2.620 -0.000 -2.737) 3.789 6.995 ( 11.028 -0.000 -0.973) 11.071 7.158 ( 16.692 -0.000 -1.495) 16.758 7.795 ( 1.951 -0.000 3.857) 4.323 8.263 ( 11.814 -0.000 1.024) 11.859 8.271 ( -3.179 0.000 -1.620) 3.568 8.493 ( 3.744 -0.000 5.604) 6.739 9.144 ( -2.682 0.000 -3.603) 4.492 9.418 ( -1.726 0.000 2.495) 3.033 11.047 ( 22.167 -0.000 -10.029) 24.330 56.229 ( -1.086 0.000 0.084) 1.089 56.557 ( -0.775 0.000 -0.223) 0.807 ======================= Grid point 392 (171/424) ======================= q-point: (-0.27 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( -24.155 -23.562 -0.203) 33.744 3.680 ( -23.118 4.592 -18.752) 30.119 4.096 ( -21.643 -16.142 -3.359) 27.208 4.485 ( 0.379 -2.070 -22.030) 22.130 5.064 ( -18.273 3.044 20.302) 27.484 5.507 ( -14.272 1.330 17.008) 22.243 6.798 ( 3.420 -6.024 -0.908) 6.987 7.072 ( 14.733 2.428 -2.528) 15.145 7.382 ( 15.154 -5.725 -4.004) 16.687 7.818 ( 1.871 -0.968 1.536) 2.607 8.220 ( 1.098 0.469 0.196) 1.210 8.431 ( 6.092 -2.610 -3.636) 7.560 8.571 ( 6.399 -3.264 8.602) 11.207 9.090 ( -3.721 1.832 -1.562) 4.432 9.427 ( 2.363 -0.176 0.671) 2.462 11.174 ( 21.306 5.185 -9.641) 23.953 56.217 ( -1.169 0.091 0.093) 1.176 56.549 ( -0.770 0.064 -0.151) 0.787 ======================= Grid point 393 (172/424) ======================= q-point: (-0.20 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -20.534 -30.384 1.968) 36.725 3.382 ( -26.570 -9.289 -25.977) 38.302 4.111 ( -26.368 -7.693 10.342) 29.349 4.553 ( 2.052 -12.467 -27.399) 30.172 4.908 ( -15.214 0.283 15.079) 21.423 5.389 ( -14.074 3.002 17.227) 22.447 6.982 ( 5.037 -9.857 1.816) 11.217 7.181 ( 17.509 1.715 -5.693) 18.491 7.554 ( 10.457 -1.034 -3.414) 11.049 7.891 ( 0.937 -5.300 -1.577) 5.608 8.266 ( -1.274 -3.717 2.812) 4.832 8.450 ( 2.845 1.305 -6.300) 7.034 8.749 ( 9.631 -2.926 8.649) 13.271 9.017 ( -1.441 1.952 -2.089) 3.201 9.469 ( 4.908 -0.544 -0.326) 4.949 11.234 ( 20.867 7.584 -4.946) 22.747 56.205 ( -1.139 0.111 0.085) 1.148 56.540 ( -0.699 0.074 -0.078) 0.707 ======================= Grid point 394 (173/424) ======================= q-point: (-0.13 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -24.084 -14.116 -10.490) 29.821 3.539 ( -14.344 -34.614 -9.936) 38.763 3.950 ( -34.827 -3.776 18.485) 39.609 4.704 ( 10.173 -4.569 -28.961) 31.034 4.898 ( -8.046 -3.962 20.903) 22.746 5.276 ( -19.070 -8.612 1.141) 20.956 7.224 ( 6.322 -8.196 -0.054) 10.351 7.291 ( 15.381 0.102 -3.762) 15.835 7.623 ( 7.960 1.395 -1.973) 8.318 7.977 ( -0.018 -3.512 -3.355) 4.857 8.233 ( -11.745 0.950 0.937) 11.821 8.505 ( 9.212 -3.353 -6.880) 11.976 8.809 ( -0.056 3.516 3.678) 5.088 9.062 ( 10.063 -2.403 2.186) 10.574 9.536 ( 5.568 -1.600 -0.914) 5.865 11.279 ( 19.734 8.799 2.027) 21.701 56.193 ( -0.995 0.053 0.062) 0.998 56.533 ( -0.584 0.034 -0.024) 0.585 ======================= Grid point 395 (174/424) ======================= q-point: (-0.07 -0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -18.240 -15.240 -12.600) 26.902 3.713 ( -41.214 -5.781 26.153) 49.153 4.050 ( -6.337 -27.091 -0.992) 27.840 4.750 ( 6.066 0.219 -13.836) 15.109 4.917 ( 7.280 1.501 5.246) 9.098 5.450 ( -17.668 -29.508 -8.643) 35.463 7.270 ( 5.203 3.730 -6.850) 9.376 7.533 ( 8.915 -8.575 4.517) 13.168 7.658 ( 5.610 0.502 -0.520) 5.656 7.935 ( -3.439 4.846 -7.041) 9.213 8.143 ( -7.140 -1.906 3.297) 8.092 8.609 ( 8.590 2.470 -10.329) 13.660 8.758 ( -1.354 -1.911 2.171) 3.193 9.207 ( 10.236 -0.784 4.657) 11.273 9.625 ( 4.555 -3.149 -0.980) 5.624 11.283 ( 15.960 12.092 7.054) 21.230 56.185 ( -0.760 -0.063 0.032) 0.763 56.528 ( -0.447 -0.042 -0.002) 0.449 ======================= Grid point 407 (175/424) ======================= q-point: (-0.27 -0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -27.932 0.000 0.212) 27.933 3.429 ( -37.204 0.000 -30.341) 48.008 3.708 ( -14.019 0.000 -0.974) 14.053 4.357 ( -15.588 0.000 -7.374) 17.244 4.926 ( -16.715 0.000 0.558) 16.724 5.515 ( -5.651 0.000 28.060) 28.623 6.781 ( 4.628 -0.000 0.492) 4.654 7.219 ( 12.580 -0.000 -0.032) 12.580 7.462 ( 16.581 -0.000 -8.197) 18.496 7.799 ( -1.862 0.000 -2.917) 3.460 8.223 ( -1.947 0.000 2.144) 2.896 8.473 ( 4.854 -0.000 -5.958) 7.685 8.664 ( 15.579 -0.000 13.125) 20.371 9.065 ( -3.875 0.000 -0.654) 3.930 9.467 ( 6.034 -0.000 -1.297) 6.172 11.384 ( 20.274 -0.000 -11.771) 23.443 56.207 ( -1.256 0.000 0.114) 1.261 56.541 ( -0.763 0.000 -0.088) 0.768 ======================= Grid point 408 (176/424) ======================= q-point: (-0.20 -0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -23.276 -30.075 3.208) 38.165 2.937 ( -36.823 0.574 -32.361) 49.025 3.703 ( -21.801 -12.055 3.174) 25.113 4.182 ( -31.162 -8.510 6.276) 32.908 4.822 ( 1.167 -0.049 -19.587) 19.622 5.482 ( -6.521 7.168 27.517) 29.173 6.895 ( 6.099 -6.624 2.642) 9.384 7.346 ( 15.434 -0.265 -3.331) 15.791 7.601 ( 10.530 -2.563 -6.316) 12.543 7.790 ( -2.787 -3.211 -4.885) 6.476 8.218 ( -2.636 -0.491 3.215) 4.187 8.466 ( -0.306 0.142 -5.511) 5.521 8.871 ( 13.019 0.260 12.756) 18.229 9.043 ( 5.893 0.616 -2.223) 6.328 9.525 ( 7.452 0.236 -2.204) 7.774 11.505 ( 19.628 3.607 -9.455) 22.083 56.195 ( -1.232 0.034 0.117) 1.238 56.534 ( -0.696 0.028 -0.028) 0.697 ======================= Grid point 409 (177/424) ======================= q-point: (-0.13 -0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( -23.348 -23.552 -3.417) 33.339 2.740 ( -23.654 -28.681 -21.612) 43.002 3.583 ( -40.190 -3.846 23.483) 46.706 4.243 ( -23.631 -26.410 -2.974) 35.563 4.832 ( 11.972 -1.279 -28.009) 30.487 5.306 ( -7.796 11.827 20.736) 25.113 7.121 ( 7.334 -9.595 3.739) 12.642 7.465 ( 15.601 2.570 -10.165) 18.797 7.707 ( 6.339 -0.820 1.573) 6.582 7.851 ( -0.831 -7.877 -5.115) 9.429 8.151 ( -10.710 2.351 -0.127) 10.966 8.487 ( 2.737 -3.893 -4.941) 6.860 8.886 ( 0.047 3.985 2.091) 4.501 9.196 ( 20.443 0.705 5.383) 21.152 9.583 ( 7.139 0.243 -2.190) 7.471 11.590 ( 19.065 5.424 -2.671) 20.001 56.184 ( -1.096 -0.007 0.095) 1.100 56.527 ( -0.590 0.013 0.014) 0.590 ======================= Grid point 410 (178/424) ======================= q-point: (-0.07 -0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -23.356 -17.771 -13.955) 32.497 3.227 ( -32.123 -22.857 17.597) 43.174 3.384 ( -21.657 -26.064 10.934) 35.608 4.550 ( -17.291 -29.224 -5.150) 34.344 4.899 ( 4.721 -2.462 -19.580) 20.291 5.105 ( 3.762 8.233 3.893) 9.854 7.318 ( 3.849 -2.396 -4.694) 6.526 7.529 ( 10.357 -2.368 -1.888) 10.791 7.744 ( 3.469 2.931 5.711) 7.297 7.951 ( -4.487 2.861 -5.810) 7.879 8.023 ( -2.850 -6.630 -2.361) 7.593 8.615 ( 5.718 -7.120 -5.821) 10.829 8.795 ( 0.654 6.612 -2.160) 6.987 9.359 ( 16.146 2.767 6.564) 17.648 9.640 ( 5.812 -0.405 -1.467) 6.008 11.638 ( 15.979 8.931 3.705) 18.677 56.176 ( -0.861 -0.117 0.056) 0.871 56.523 ( -0.465 -0.040 0.020) 0.467 ======================= Grid point 423 (179/424) ======================= q-point: (-0.20 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -27.521 0.000 4.998) 27.971 2.464 ( -43.569 0.000 -37.374) 57.403 3.406 ( -16.153 0.000 -3.302) 16.487 3.760 ( -50.226 0.000 28.269) 57.635 4.813 ( 12.388 -0.000 -33.280) 35.510 5.587 ( -5.094 0.000 28.143) 28.600 6.894 ( 6.110 -0.000 3.216) 6.905 7.445 ( 10.136 -0.000 0.590) 10.153 7.658 ( 9.432 -0.000 -9.047) 13.069 7.710 ( -3.028 0.000 -7.642) 8.220 8.212 ( -1.523 0.000 4.035) 4.313 8.415 ( -6.787 0.000 -3.625) 7.694 8.957 ( 0.510 -0.000 3.427) 3.465 9.223 ( 26.668 -0.000 5.958) 27.326 9.593 ( 7.735 -0.000 -3.234) 8.384 11.683 ( 18.415 -0.000 -11.103) 21.503 56.184 ( -1.217 0.000 0.138) 1.225 56.528 ( -0.635 0.000 0.012) 0.635 ======================= Grid point 424 (180/424) ======================= q-point: (-0.13 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -18.908 -35.434 6.729) 40.723 2.005 ( -39.449 -11.173 -35.323) 54.118 3.223 ( -40.608 -0.026 22.431) 46.391 3.554 ( -32.514 -20.334 8.053) 39.186 4.859 ( 16.495 -0.743 -35.291) 38.963 5.515 ( -4.519 10.186 21.178) 23.931 7.048 ( 7.741 -7.938 4.493) 11.963 7.595 ( 12.537 -4.274 -5.395) 14.302 7.631 ( -4.221 -1.700 -5.206) 6.915 7.767 ( 4.862 -3.518 -4.568) 7.542 8.133 ( -8.755 5.993 1.323) 10.692 8.386 ( -4.429 -5.427 -2.175) 7.335 8.954 ( 2.687 2.111 -1.518) 3.739 9.481 ( 26.721 2.737 6.122) 27.549 9.651 ( 6.758 0.337 -0.996) 6.839 11.810 ( 17.888 1.521 -7.161) 19.328 56.173 ( -1.094 -0.022 0.128) 1.101 56.522 ( -0.540 0.004 0.032) 0.541 ======================= Grid point 425 (181/424) ======================= q-point: (-0.07 -0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -27.652 -16.839 -14.483) 35.468 2.349 ( -10.914 -50.587 -2.793) 51.826 2.880 ( -50.451 -4.666 35.192) 61.690 3.778 ( -21.865 -30.264 -3.747) 37.524 4.922 ( 11.514 0.454 -26.289) 28.703 5.336 ( 3.776 11.201 6.576) 13.526 7.274 ( 6.091 -6.335 1.226) 8.873 7.580 ( 2.618 0.770 -3.581) 4.503 7.836 ( 1.045 -11.094 -9.887) 14.897 7.845 ( 2.194 3.143 6.418) 7.476 7.913 ( -7.694 1.125 -2.691) 8.229 8.500 ( 3.443 -8.598 -4.328) 10.223 8.921 ( 4.735 5.004 -3.990) 7.961 9.623 ( 15.801 4.459 -4.730) 17.086 9.719 ( 10.464 2.801 11.009) 15.445 11.912 ( 15.557 4.678 -0.790) 16.264 56.166 ( -0.872 -0.122 0.083) 0.884 56.518 ( -0.427 -0.025 0.021) 0.429 ======================= Grid point 439 (182/424) ======================= q-point: (-0.13 -0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -22.762 0.000 12.821) 26.124 1.394 ( -45.978 0.000 -37.263) 59.183 2.897 ( -60.875 0.000 40.774) 73.269 3.083 ( -14.995 0.000 -4.896) 15.774 4.912 ( 16.679 -0.000 -33.989) 37.861 5.646 ( -1.150 0.000 15.179) 15.222 7.043 ( 6.980 -0.000 5.036) 8.607 7.489 ( -4.866 0.000 -4.534) 6.651 7.723 ( 1.770 -0.000 -3.762) 4.158 7.724 ( 8.697 -0.000 -3.907) 9.534 8.185 ( -15.394 0.000 -3.035) 15.690 8.198 ( -2.492 0.000 3.475) 4.276 9.004 ( 5.565 -0.000 -3.537) 6.594 9.677 ( 8.330 -0.000 -12.343) 14.891 9.812 ( 22.619 -0.000 18.155) 29.004 11.958 ( 16.811 -0.000 -8.382) 18.785 56.164 ( -0.979 0.000 0.144) 0.989 56.518 ( -0.457 0.000 0.025) 0.457 ======================= Grid point 440 (183/424) ======================= q-point: (-0.07 -0.13 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -30.205 -12.802 -11.560) 34.782 1.291 ( -13.074 -53.857 -2.134) 55.462 2.429 ( -59.523 -0.738 42.663) 73.237 3.129 ( -15.661 -19.928 -4.362) 25.718 4.965 ( 11.719 0.312 -25.786) 28.326 5.583 ( 5.335 9.541 2.577) 11.230 7.228 ( 8.050 -7.453 3.827) 11.618 7.500 ( -4.773 -8.154 -4.757) 10.578 7.699 ( 1.481 -0.183 -5.325) 5.530 7.848 ( -5.108 -0.327 -1.633) 5.373 7.925 ( -3.052 3.468 5.270) 7.008 8.337 ( 2.306 -12.454 -3.777) 13.217 9.031 ( 6.761 2.641 -4.410) 8.494 9.695 ( 4.194 0.378 -11.307) 12.065 10.028 ( 19.636 5.014 18.060) 27.146 12.093 ( 15.109 0.636 -5.309) 16.027 56.156 ( -0.778 -0.066 0.109) 0.789 56.514 ( -0.358 -0.011 -0.012) 0.359 ======================= Grid point 455 (184/424) ======================= q-point: (-0.07 -0.07 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -11.127 0.000 22.596) 25.188 0.492 ( -20.755 0.000 8.268) 22.341 1.965 ( -63.877 0.000 48.017) 79.912 2.814 ( -9.319 0.000 -5.939) 11.051 5.000 ( 8.546 -0.000 -20.806) 22.493 5.740 ( 8.548 -0.000 -6.732) 10.880 7.202 ( 5.559 -0.000 4.818) 7.357 7.348 ( -4.897 0.000 -4.839) 6.885 7.728 ( -4.475 0.000 -0.676) 4.526 7.867 ( -7.638 0.000 16.593) 18.267 7.868 ( 7.462 -0.000 -2.660) 7.922 8.153 ( -3.979 0.000 2.294) 4.593 9.111 ( 7.181 -0.000 -4.392) 8.417 9.688 ( 1.025 -0.000 -11.739) 11.784 10.297 ( 15.486 -0.000 19.335) 24.772 12.209 ( 12.829 -0.000 -9.010) 15.677 56.149 ( -0.588 0.000 0.099) 0.596 56.511 ( -0.277 0.000 -0.079) 0.288 ======================= Grid point 456 (185/424) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.979 0.000 23.143) 23.163 1.986 ( -19.250 0.000 47.039) 50.825 2.417 ( 3.969 -0.000 57.100) 57.238 2.493 ( 1.284 -0.000 -12.316) 12.383 4.530 ( 3.144 -0.000 -27.511) 27.690 5.375 ( 9.834 -0.000 -30.592) 32.134 7.088 ( -4.395 0.000 -2.771) 5.196 7.501 ( 5.315 -0.000 4.071) 6.695 7.675 ( -7.347 0.000 7.700) 10.643 7.897 ( 2.792 -0.000 -2.884) 4.014 8.099 ( -3.968 0.000 0.607) 4.014 8.655 ( 31.002 -0.000 -2.654) 31.116 9.052 ( 0.578 -0.000 -6.892) 6.916 9.403 ( -3.466 0.000 -5.294) 6.328 10.998 ( -0.998 0.000 20.823) 20.847 11.954 ( -6.294 0.000 -8.898) 10.899 56.144 ( -0.078 0.000 0.048) 0.092 56.502 ( -0.010 0.000 -0.237) 0.237 ======================= Grid point 457 (186/424) ======================= q-point: ( 0.07 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 2.140 -28.442 20.357) 35.042 1.770 ( -36.027 -0.293 45.385) 57.946 2.546 ( 4.888 -9.983 3.847) 11.762 3.021 ( 28.355 -18.887 32.357) 46.986 4.427 ( -7.744 -1.141 -25.720) 26.885 5.435 ( 21.748 -0.378 -29.814) 36.905 7.105 ( -4.177 -6.327 -2.620) 8.021 7.498 ( -3.052 3.541 4.954) 6.812 7.732 ( 0.612 -7.206 5.158) 8.883 7.878 ( -0.608 2.144 -2.859) 3.625 8.122 ( -0.793 -5.036 1.445) 5.299 8.948 ( 26.921 -1.682 -8.569) 28.302 8.991 ( -1.936 2.827 -9.678) 10.266 9.372 ( -4.491 -2.153 -2.395) 5.526 10.944 ( -8.852 6.680 20.098) 22.954 11.756 ( -14.778 8.561 -7.479) 18.644 56.146 ( 0.219 -0.121 0.049) 0.255 56.503 ( 0.196 -0.024 -0.205) 0.285 ======================= Grid point 458 (187/424) ======================= q-point: ( 0.13 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -27.570 -9.041 40.441) 49.773 2.015 ( 8.957 -24.973 18.596) 32.399 2.937 ( 5.193 -28.050 -3.990) 28.805 3.584 ( 17.045 -6.877 9.759) 20.811 4.432 ( 0.684 -15.443 -7.760) 17.297 5.618 ( 25.512 -2.992 -24.213) 35.300 7.187 ( -5.032 -7.819 -2.570) 9.647 7.402 ( -4.418 3.806 4.712) 7.497 7.734 ( -0.272 6.951 -1.939) 7.221 7.939 ( -2.114 -9.030 0.852) 9.314 8.241 ( 2.561 -5.209 1.931) 6.117 8.854 ( -6.096 3.959 -7.761) 10.634 9.162 ( 18.738 -0.226 -10.355) 21.410 9.386 ( -3.615 -4.043 0.688) 5.467 10.750 ( -12.990 8.803 19.699) 25.185 11.354 ( -19.430 14.869 -10.225) 26.517 56.153 ( 0.438 -0.218 0.041) 0.491 56.506 ( 0.358 -0.072 -0.137) 0.390 ======================= Grid point 459 (188/424) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -11.520 -14.566 29.584) 34.930 2.553 ( 9.283 -20.939 14.500) 27.108 3.457 ( 4.901 -14.851 -19.195) 24.759 3.750 ( 4.720 -17.372 3.363) 18.313 4.922 ( 14.293 -24.867 6.890) 29.498 5.846 ( 21.161 -3.174 -17.260) 27.491 7.196 ( -6.587 1.245 0.022) 6.704 7.375 ( -3.046 -4.784 -2.055) 6.032 7.615 ( 0.281 3.852 0.835) 3.952 8.039 ( -1.149 -3.450 1.122) 3.805 8.295 ( -0.081 1.570 -1.554) 2.211 8.730 ( -4.184 1.750 -6.565) 7.979 9.264 ( 8.745 0.255 -4.634) 9.900 9.438 ( -3.227 -4.330 2.775) 6.071 10.538 ( -13.827 6.856 18.677) 24.229 10.843 ( -19.574 16.816 -13.719) 29.225 56.162 ( 0.548 -0.266 0.030) 0.609 56.511 ( 0.468 -0.126 -0.071) 0.489 ======================= Grid point 460 (189/424) ======================= q-point: ( 0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 2.012 -16.899 18.164) 24.891 3.014 ( 4.865 -19.935 6.221) 21.442 3.456 ( 6.598 4.830 -12.385) 14.841 4.369 ( 8.798 -33.498 3.144) 34.777 5.471 ( 12.727 -20.088 -0.008) 23.781 5.957 ( 6.351 3.013 -9.528) 11.840 7.133 ( 1.878 0.279 -0.735) 2.036 7.408 ( -6.739 -5.783 -6.141) 10.797 7.674 ( 5.283 -5.299 6.534) 9.934 8.052 ( 1.347 2.119 1.423) 2.887 8.217 ( -0.336 4.121 -3.245) 5.255 8.639 ( -4.382 3.215 -6.357) 8.363 9.303 ( 2.083 0.471 0.044) 2.136 9.475 ( -7.589 -3.738 6.565) 10.708 10.244 ( -14.597 14.504 -14.703) 25.290 10.469 ( -12.111 5.054 14.093) 19.257 56.172 ( 0.551 -0.264 0.016) 0.611 56.518 ( 0.503 -0.150 -0.029) 0.525 ======================= Grid point 461 (190/424) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 11.836 -16.352 8.625) 21.952 3.315 ( -4.815 -11.253 -15.119) 19.452 3.489 ( 15.459 -1.122 12.464) 19.890 5.008 ( 10.923 -26.304 3.153) 28.656 5.782 ( -2.521 6.195 -9.462) 11.587 5.875 ( 1.481 -10.848 -0.674) 10.969 7.217 ( 7.903 -2.577 -3.428) 8.991 7.477 ( -3.779 -9.771 -1.786) 10.627 7.858 ( 4.226 -6.016 4.684) 8.717 8.033 ( 4.314 1.408 0.571) 4.574 8.152 ( 3.296 4.943 0.831) 5.999 8.495 ( -6.142 4.237 -6.238) 9.726 9.268 ( -10.277 1.008 4.866) 11.415 9.438 ( -9.567 0.786 3.470) 10.207 9.888 ( -0.326 7.957 -19.414) 20.984 10.352 ( -10.628 3.437 17.941) 21.134 56.181 ( 0.460 -0.220 0.000) 0.510 56.525 ( 0.451 -0.131 -0.015) 0.470 ======================= Grid point 462 (191/424) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 19.144 -13.551 -0.230) 23.455 3.353 ( 1.293 -2.165 -7.683) 8.086 3.736 ( 6.786 -7.953 8.940) 13.756 5.479 ( -1.112 -6.739 5.229) 8.602 5.542 ( -3.365 -1.636 2.279) 4.381 6.078 ( 3.515 -7.853 -10.594) 13.648 7.299 ( 2.881 -2.676 -7.495) 8.464 7.620 ( 1.670 -5.178 0.482) 5.462 7.916 ( -0.949 1.130 -0.750) 1.655 8.027 ( 0.307 7.381 2.367) 7.758 8.169 ( 6.424 -3.051 5.057) 8.727 8.413 ( -2.841 -2.645 -3.076) 4.953 9.103 ( -16.727 1.344 2.436) 16.957 9.346 ( 0.406 3.963 -3.523) 5.318 9.853 ( 5.527 -2.763 -4.811) 7.831 10.224 ( -9.718 5.179 13.389) 17.335 56.188 ( 0.300 -0.146 -0.015) 0.334 56.531 ( 0.322 -0.076 -0.016) 0.332 ======================= Grid point 463 (192/424) ======================= q-point: ( 0.47 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.244 ( 13.973 -1.901 -4.955) 14.947 3.448 ( 11.718 -8.082 -6.760) 15.758 3.931 ( 2.655 -7.247 5.732) 9.614 5.243 ( -20.622 6.065 13.136) 25.192 5.801 ( 4.082 -5.687 3.882) 8.005 6.169 ( 5.524 -2.653 -11.647) 13.161 7.310 ( -5.176 -1.748 -9.695) 11.128 7.667 ( 9.472 3.518 -7.854) 12.798 7.827 ( -6.938 2.717 3.563) 8.259 7.917 ( 1.437 6.112 4.311) 7.616 8.272 ( 0.510 -2.755 3.204) 4.257 8.459 ( -3.378 -2.861 1.821) 4.787 8.999 ( -4.528 -0.089 1.487) 4.767 9.279 ( 0.473 3.199 -1.999) 3.802 9.973 ( 1.476 0.124 7.249) 7.399 10.127 ( -0.430 -4.512 1.948) 4.933 56.191 ( 0.098 -0.057 -0.024) 0.116 56.533 ( 0.143 -0.005 -0.020) 0.145 ======================= Grid point 464 (193/424) ======================= q-point: (-0.47 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.246 ( 2.471 6.625 -0.324) 7.078 3.730 ( 21.244 -5.368 -18.095) 28.418 4.102 ( 1.602 -9.208 2.215) 9.606 4.976 ( -25.337 5.024 20.578) 33.025 5.756 ( -7.288 8.870 2.440) 11.737 6.243 ( 9.720 1.047 -8.973) 13.270 7.230 ( -7.150 -0.955 -7.811) 10.632 7.655 ( 0.670 2.871 -6.609) 7.237 7.735 ( 6.273 6.231 -0.571) 8.860 7.892 ( 1.357 0.417 7.040) 7.182 8.300 ( -3.215 -1.244 2.911) 4.512 8.400 ( -6.926 3.811 1.614) 8.068 8.983 ( 0.778 1.650 1.630) 2.447 9.240 ( 1.185 1.319 0.166) 1.781 9.892 ( -2.165 5.401 5.540) 8.035 10.417 ( 10.179 -16.560 0.474) 19.444 56.192 ( -0.116 0.033 -0.024) 0.123 56.533 ( -0.048 0.063 -0.019) 0.082 ======================= Grid point 465 (194/424) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -1.048 14.388 0.328) 14.430 3.880 ( 12.792 0.696 -18.126) 22.196 4.277 ( 1.416 -7.729 -6.388) 10.127 4.718 ( -24.681 3.776 21.994) 33.274 5.447 ( -8.729 16.459 3.770) 19.008 6.173 ( 2.856 12.269 -8.266) 15.067 7.196 ( -3.599 -0.233 -0.069) 3.607 7.554 ( -2.717 1.945 -2.282) 4.046 7.722 ( 7.363 3.258 -5.372) 9.680 7.916 ( 2.724 3.081 8.494) 9.438 8.283 ( -6.139 -1.352 3.201) 7.054 8.301 ( -1.235 0.092 -2.971) 3.219 8.939 ( -0.433 4.037 0.668) 4.114 9.268 ( 5.585 -0.744 1.586) 5.853 9.806 ( 0.006 4.814 2.900) 5.620 10.830 ( 11.762 -17.369 -0.335) 20.979 56.188 ( -0.317 0.117 -0.016) 0.338 56.530 ( -0.215 0.111 -0.015) 0.243 ======================= Grid point 466 (195/424) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( -3.913 22.515 0.788) 22.867 3.842 ( -4.055 4.262 -6.535) 8.793 4.281 ( -12.484 2.800 0.673) 12.812 4.525 ( -2.743 6.398 -3.321) 7.713 5.114 ( -5.851 12.265 5.063) 14.501 5.793 ( -8.229 26.061 -0.632) 27.337 7.132 ( -1.359 2.238 0.111) 2.621 7.595 ( 1.478 -5.837 -7.248) 9.423 7.732 ( 3.573 -0.772 -0.203) 3.661 7.879 ( 6.142 7.282 5.673) 11.088 8.235 ( -6.847 1.046 5.465) 8.823 8.385 ( 4.939 -6.795 -4.917) 9.734 8.845 ( -3.124 4.530 0.738) 5.552 9.381 ( 10.561 -2.687 3.202) 11.358 9.737 ( 1.478 4.274 1.693) 4.829 11.224 ( 11.571 -14.908 -3.365) 19.169 56.182 ( -0.481 0.187 -0.004) 0.516 56.526 ( -0.332 0.128 -0.021) 0.356 ======================= Grid point 467 (196/424) ======================= q-point: (-0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -5.269 27.705 3.748) 28.450 3.621 ( -26.977 5.730 15.760) 31.764 3.938 ( -8.262 23.570 2.304) 25.082 4.372 ( 13.606 13.426 -28.776) 34.546 4.910 ( -11.100 12.406 2.270) 16.801 5.240 ( -10.773 15.552 8.712) 20.829 7.148 ( 2.669 -3.361 -2.034) 4.750 7.635 ( -3.155 -2.090 -6.000) 7.094 7.808 ( 8.501 4.600 -1.326) 9.756 7.864 ( 6.946 -1.678 3.754) 8.072 8.139 ( -4.755 5.417 3.729) 8.115 8.545 ( 8.244 -4.283 -6.160) 11.147 8.747 ( -6.618 0.847 4.005) 7.782 9.550 ( 8.465 -1.190 4.081) 9.473 9.741 ( 8.744 -2.587 4.001) 9.958 11.543 ( 10.404 -11.183 -7.971) 17.229 56.173 ( -0.584 0.232 0.010) 0.629 56.520 ( -0.389 0.118 -0.050) 0.410 ======================= Grid point 468 (197/424) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -2.324 27.642 11.890) 30.181 3.180 ( -33.635 20.974 24.326) 46.507 3.411 ( -2.334 27.734 5.992) 28.470 3.988 ( -10.222 27.554 -12.295) 31.857 4.547 ( 5.936 10.991 -14.018) 18.777 5.203 ( -5.028 -8.276 0.432) 9.693 7.259 ( 4.182 -4.842 -0.018) 6.398 7.606 ( -3.882 -0.232 -0.329) 3.903 7.768 ( 4.750 5.732 -8.699) 11.450 7.930 ( 3.569 7.392 2.355) 8.539 8.039 ( 1.929 -0.658 6.159) 6.488 8.573 ( 6.332 5.985 -4.908) 10.000 8.787 ( -1.568 -7.549 1.786) 7.914 9.562 ( 2.335 2.824 -2.274) 4.313 10.052 ( 16.525 -12.267 13.862) 24.813 11.766 ( 8.442 -7.363 -12.858) 17.053 56.163 ( -0.605 0.235 0.026) 0.649 56.514 ( -0.395 0.094 -0.109) 0.420 ======================= Grid point 469 (198/424) ======================= q-point: (-0.13 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 6.411 19.128 26.032) 32.934 2.435 ( -10.127 42.096 16.828) 46.452 2.971 ( -21.012 15.686 25.070) 36.277 3.328 ( -24.009 24.234 5.283) 34.521 4.492 ( 18.260 4.328 -28.176) 33.853 5.312 ( -4.032 -9.216 -9.672) 13.955 7.341 ( 1.274 0.768 -0.451) 1.555 7.579 ( -0.383 7.952 -5.080) 9.443 7.631 ( -1.157 -1.373 1.736) 2.498 7.855 ( 4.568 4.692 2.438) 6.988 8.129 ( 2.492 -2.019 7.680) 8.323 8.497 ( 8.600 8.576 -3.509) 12.642 8.917 ( 3.069 -5.805 -2.806) 7.141 9.517 ( 0.701 2.471 -5.467) 6.040 10.480 ( 14.460 -12.733 18.750) 26.884 11.895 ( 5.645 -4.676 -15.486) 17.133 56.154 ( -0.527 0.185 0.040) 0.560 56.509 ( -0.350 0.069 -0.181) 0.400 ======================= Grid point 470 (199/424) ======================= q-point: (-0.07 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 2.981 19.106 25.427) 31.945 1.856 ( 11.815 20.019 35.381) 42.334 2.602 ( -33.800 8.033 43.736) 55.856 2.760 ( -12.454 19.488 -1.418) 23.171 4.527 ( 14.962 1.202 -28.950) 32.610 5.374 ( -0.308 -5.021 -22.021) 22.589 7.218 ( -4.991 7.057 -5.677) 10.341 7.468 ( 4.462 4.119 4.354) 7.472 7.711 ( -2.192 -1.999 5.474) 6.226 7.852 ( 3.574 -0.507 -0.199) 3.615 8.157 ( -2.445 1.373 2.544) 3.786 8.464 ( 20.059 7.201 0.795) 21.327 9.020 ( 3.580 -3.193 -5.289) 7.140 9.459 ( -1.428 1.615 -6.477) 6.826 10.834 ( 8.020 -7.801 20.782) 23.602 11.962 ( 1.365 -3.850 -13.169) 13.788 56.147 ( -0.350 0.100 0.044) 0.367 56.504 ( -0.226 0.037 -0.228) 0.324 ======================= Grid point 472 (200/424) ======================= q-point: ( 0.07 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 7.233 -0.000 22.342) 23.484 1.557 ( -31.980 0.000 47.031) 56.874 2.534 ( 10.374 -0.000 -13.520) 17.041 3.304 ( 37.329 -0.000 47.126) 60.119 4.226 ( -13.293 0.000 -31.647) 34.325 5.568 ( 25.088 -0.000 -27.219) 37.017 7.013 ( -2.765 0.000 0.267) 2.778 7.566 ( -0.330 0.000 0.012) 0.330 7.614 ( -2.678 0.000 6.779) 7.289 7.886 ( -1.918 0.000 -3.732) 4.196 8.074 ( 0.910 -0.000 2.764) 2.910 8.927 ( -9.455 0.000 -7.923) 12.336 9.156 ( 22.529 -0.000 -11.554) 25.319 9.301 ( -4.729 0.000 -1.140) 4.865 10.930 ( -17.640 0.000 19.172) 26.053 11.677 ( -16.120 0.000 -6.956) 17.557 56.149 ( 0.492 -0.000 0.066) 0.497 56.505 ( 0.416 -0.000 -0.180) 0.453 ======================= Grid point 473 (201/424) ======================= q-point: ( 0.13 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -9.939 -5.162 33.563) 35.382 1.669 ( 6.591 -25.030 22.109) 34.040 2.681 ( 12.236 -9.340 -11.809) 19.402 3.747 ( 16.910 0.888 5.399) 17.773 4.155 ( 5.145 -13.667 -0.100) 14.603 5.754 ( 25.730 -1.404 -21.071) 33.287 7.038 ( -2.380 -4.659 1.292) 5.389 7.475 ( -1.206 5.614 1.506) 5.936 7.727 ( -2.970 -9.724 0.107) 10.168 7.814 ( -3.258 4.127 -3.218) 6.165 8.165 ( 3.350 -5.990 2.815) 7.418 8.781 ( -13.214 0.997 -8.802) 15.909 9.259 ( -0.015 -1.073 -0.440) 1.160 9.312 ( 7.123 -1.572 -6.466) 9.747 10.750 ( -22.369 4.029 18.088) 29.048 11.398 ( -16.239 10.934 -10.777) 22.347 56.155 ( 0.702 -0.089 0.074) 0.711 56.509 ( 0.575 0.001 -0.110) 0.585 ======================= Grid point 474 (202/424) ======================= q-point: ( 0.20 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 5.995 -8.663 20.214) 22.795 2.284 ( 9.478 -24.360 15.072) 30.173 3.046 ( 10.533 -23.899 -13.935) 29.602 3.716 ( 2.338 -0.191 -17.630) 17.785 4.701 ( 21.737 -19.983 20.164) 35.755 5.960 ( 21.238 -1.309 -13.371) 25.131 7.116 ( -1.730 -5.035 2.428) 5.851 7.360 ( -2.323 5.287 -2.875) 6.450 7.690 ( -1.401 4.747 -1.090) 5.068 7.874 ( -4.190 -10.468 -2.962) 11.658 8.276 ( -0.917 -2.165 -0.236) 2.363 8.640 ( -10.282 -1.916 -7.789) 13.041 9.283 ( -2.543 -2.854 3.357) 5.087 9.359 ( -0.887 -1.285 -1.824) 2.401 10.514 ( -22.328 3.527 18.191) 29.015 10.954 ( -14.069 17.664 -16.350) 27.879 56.165 ( 0.811 -0.128 0.066) 0.824 56.515 ( 0.677 -0.019 -0.038) 0.678 ======================= Grid point 475 (203/424) ======================= q-point: ( 0.27 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 18.302 -12.214 7.787) 23.341 2.724 ( 3.472 -16.747 0.097) 17.103 3.492 ( 10.421 -12.415 -12.169) 20.268 3.930 ( 12.692 -24.029 -0.112) 27.175 5.265 ( 16.165 -17.797 8.970) 25.661 6.063 ( 7.583 4.234 -4.882) 9.963 7.169 ( 3.787 0.236 0.549) 3.834 7.269 ( -4.823 -1.897 -5.456) 7.525 7.671 ( 4.152 -1.447 2.017) 4.838 7.989 ( -3.886 -7.589 -2.984) 9.033 8.221 ( -6.027 1.317 -3.928) 7.314 8.592 ( -5.598 -0.997 -7.224) 9.194 9.302 ( -5.941 0.706 5.193) 7.922 9.350 ( -7.639 -4.436 5.324) 10.314 10.318 ( -15.555 5.103 9.538) 18.947 10.478 ( -11.981 13.855 -12.462) 22.154 56.175 ( 0.816 -0.118 0.047) 0.826 56.522 ( 0.701 -0.033 0.001) 0.702 ======================= Grid point 476 (204/424) ======================= q-point: ( 0.33 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 25.173 -13.758 0.133) 28.688 2.984 ( -2.078 -14.822 -12.180) 19.297 3.699 ( 17.560 -0.289 4.948) 18.246 4.610 ( 14.348 -32.190 2.797) 35.354 5.672 ( 9.369 -13.781 -3.191) 16.967 5.897 ( -8.943 11.703 1.396) 14.795 7.260 ( 7.613 -0.890 -0.105) 7.666 7.294 ( 0.223 -7.715 -2.778) 8.203 7.796 ( 3.949 -6.066 1.244) 7.344 8.036 ( -2.921 -2.557 -3.360) 5.134 8.177 ( -2.183 -2.400 -0.898) 3.366 8.484 ( -6.756 3.791 -8.476) 11.483 9.169 ( -17.902 2.452 7.901) 19.721 9.393 ( -3.121 -2.708 7.367) 8.447 10.012 ( 0.798 12.979 -22.903) 26.337 10.290 ( -16.940 -1.299 17.574) 24.444 56.184 ( 0.727 -0.067 0.023) 0.730 56.529 ( 0.635 -0.013 0.004) 0.636 ======================= Grid point 477 (205/424) ======================= q-point: ( 0.40 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 29.824 -13.456 -5.258) 33.139 3.159 ( -2.784 -11.904 -12.795) 17.697 3.868 ( 17.112 2.770 11.374) 20.733 5.256 ( 12.012 -23.632 4.427) 26.877 5.571 ( -14.616 11.398 5.695) 19.390 5.929 ( 5.216 -10.431 -10.493) 15.688 7.287 ( 1.449 0.203 -2.185) 2.630 7.514 ( 4.860 -9.755 3.905) 11.577 7.890 ( -1.900 -2.235 -3.944) 4.915 8.060 ( -0.296 -2.918 -3.336) 4.442 8.217 ( 0.439 -1.487 3.998) 4.289 8.323 ( -6.629 2.675 -7.481) 10.347 8.984 ( -13.835 1.029 4.833) 14.691 9.403 ( -0.677 1.870 4.271) 4.712 9.849 ( 3.599 1.587 -14.388) 14.916 10.201 ( -15.029 0.410 15.735) 21.763 56.191 ( 0.566 0.014 0.001) 0.566 56.534 ( 0.491 0.040 -0.012) 0.493 ======================= Grid point 478 (206/424) ======================= q-point: ( 0.47 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( -0.184 -6.228 -7.101) 9.447 3.401 ( 31.944 -12.127 -11.490) 36.048 3.982 ( 11.609 3.044 10.020) 15.634 5.231 ( -18.782 9.458 12.902) 24.672 5.695 ( 4.469 -11.757 4.588) 13.389 6.111 ( 8.387 -7.854 -13.382) 17.638 7.255 ( -2.443 2.206 -4.376) 5.475 7.698 ( -0.439 -6.712 7.249) 9.888 7.818 ( -3.555 4.211 -5.737) 7.956 8.030 ( -1.145 4.175 -4.359) 6.143 8.246 ( 0.756 -0.319 -1.102) 1.374 8.315 ( -5.182 -8.284 1.586) 9.899 8.948 ( -1.748 -3.017 2.994) 4.596 9.347 ( 0.365 4.355 0.547) 4.404 9.916 ( 2.492 -7.239 -2.278) 7.988 10.084 ( -11.304 1.849 9.761) 15.049 56.194 ( 0.363 0.108 -0.013) 0.379 56.536 ( 0.296 0.110 -0.030) 0.318 ======================= Grid point 479 (207/424) ======================= q-point: (-0.47 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( -0.475 -0.644 -1.752) 1.926 3.837 ( 32.624 -4.948 -16.596) 36.936 4.055 ( 6.883 -0.946 3.482) 7.771 4.927 ( -22.247 8.393 19.625) 30.831 5.786 ( -6.059 0.987 3.158) 6.903 6.290 ( 11.523 -4.011 -11.551) 16.802 7.157 ( -4.571 1.945 -4.189) 6.498 7.674 ( -7.069 2.943 -2.256) 7.983 7.823 ( 0.205 -4.000 6.683) 7.792 7.943 ( 6.029 5.208 -7.564) 10.985 8.257 ( -4.050 -1.642 2.453) 5.012 8.371 ( -5.187 -1.301 2.266) 5.808 9.006 ( 1.782 -1.148 1.351) 2.513 9.288 ( 1.660 2.760 0.726) 3.302 9.935 ( -7.134 2.319 6.271) 9.777 10.192 ( 3.914 -15.716 0.459) 16.203 56.194 ( 0.147 0.200 -0.019) 0.249 56.536 ( 0.092 0.177 -0.040) 0.204 ======================= Grid point 480 (208/424) ======================= q-point: (-0.40 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( -0.807 6.718 1.352) 6.900 3.987 ( 9.257 3.776 -4.046) 10.785 4.212 ( 10.352 -1.713 -13.222) 16.880 4.664 ( -13.697 4.505 16.854) 22.180 5.614 ( -8.482 10.325 3.638) 13.849 6.338 ( 5.716 4.916 -12.233) 14.369 7.138 ( 0.075 -2.754 1.143) 2.983 7.563 ( -5.115 2.476 -1.312) 5.832 7.877 ( 4.631 8.551 -4.052) 10.535 7.897 ( -5.343 -4.826 8.175) 10.894 8.242 ( -5.187 -2.643 2.472) 6.325 8.311 ( 0.929 4.150 -1.055) 4.381 8.998 ( -0.124 2.875 -1.502) 3.246 9.312 ( 6.138 -0.918 2.289) 6.615 9.859 ( -3.747 2.079 3.205) 5.351 10.566 ( 4.515 -20.578 0.735) 21.080 56.190 ( -0.053 0.280 -0.016) 0.285 56.532 ( -0.083 0.224 -0.043) 0.242 ======================= Grid point 481 (209/424) ======================= q-point: (-0.33 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( -1.186 16.120 3.010) 16.441 3.893 ( -8.894 10.184 5.723) 14.683 4.125 ( -17.141 -1.327 5.733) 18.123 4.662 ( 17.679 3.474 -17.128) 24.859 5.334 ( -4.740 14.088 3.833) 15.350 6.140 ( -0.375 17.755 -8.597) 19.730 7.174 ( -0.875 2.590 6.490) 7.042 7.513 ( -0.466 -2.430 -3.770) 4.510 7.744 ( -3.574 2.459 1.295) 4.527 7.950 ( -4.018 -3.796 6.053) 8.198 8.243 ( 1.551 4.671 -1.154) 5.056 8.317 ( 3.978 -5.188 -0.044) 6.538 8.913 ( -0.705 4.975 -3.685) 6.231 9.436 ( 10.286 -3.089 3.829) 11.402 9.801 ( -1.939 2.376 2.147) 3.744 10.970 ( 3.136 -20.421 -1.619) 20.723 56.183 ( -0.213 0.343 -0.009) 0.404 56.526 ( -0.203 0.240 -0.051) 0.318 ======================= Grid point 482 (210/424) ======================= q-point: (-0.27 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( -0.518 24.791 6.153) 25.549 3.538 ( -31.782 10.589 25.548) 42.130 4.025 ( -9.611 1.284 -4.851) 10.843 4.653 ( 17.678 10.322 -24.870) 32.212 5.096 ( 3.279 12.324 0.184) 12.754 5.642 ( -6.091 31.610 -0.446) 32.195 7.134 ( 0.898 0.499 4.098) 4.225 7.552 ( -3.264 -2.826 -3.173) 5.358 7.796 ( 3.168 -6.389 2.517) 7.562 7.975 ( 0.331 0.607 -0.446) 0.823 8.173 ( -1.413 3.035 1.786) 3.795 8.467 ( 4.081 -6.812 0.885) 7.990 8.804 ( 1.883 5.896 -5.541) 8.307 9.611 ( 8.643 -2.070 5.854) 10.643 9.777 ( 3.265 -1.288 3.326) 4.836 11.316 ( 0.457 -17.681 -5.893) 18.643 56.174 ( -0.310 0.382 -0.002) 0.492 56.520 ( -0.258 0.227 -0.077) 0.352 ======================= Grid point 483 (211/424) ======================= q-point: (-0.20 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 2.597 28.097 12.917) 31.033 3.096 ( -40.713 10.430 34.648) 54.468 3.824 ( -3.119 12.439 -8.846) 15.579 4.433 ( 3.786 25.413 -19.506) 32.259 4.827 ( 1.308 21.397 3.860) 21.782 5.201 ( 8.391 9.169 -8.530) 15.075 7.213 ( 4.504 -4.674 2.776) 7.060 7.542 ( -6.425 -1.563 2.581) 7.098 7.881 ( 0.414 5.404 -6.096) 8.157 7.973 ( 3.744 -4.021 -0.264) 5.500 8.127 ( 0.546 2.888 3.832) 4.829 8.631 ( 0.845 -8.604 1.859) 8.843 8.732 ( 9.416 5.465 -8.253) 13.662 9.620 ( -0.428 3.095 1.077) 3.305 10.016 ( 12.563 -11.029 12.422) 20.827 11.561 ( -3.411 -14.191 -10.862) 18.193 56.164 ( -0.321 0.385 0.005) 0.501 56.513 ( -0.253 0.196 -0.124) 0.343 ======================= Grid point 484 (212/424) ======================= q-point: (-0.13 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 8.208 23.927 21.898) 33.457 2.603 ( -42.354 12.509 37.588) 57.993 3.501 ( 6.347 23.586 -1.428) 24.467 3.706 ( -11.250 40.549 -0.372) 42.082 4.638 ( 6.376 6.992 -10.714) 14.294 5.228 ( 14.742 -0.050 -17.992) 23.260 7.356 ( 4.780 -2.906 1.867) 5.898 7.515 ( -7.024 -2.700 4.647) 8.844 7.708 ( -3.794 7.129 -7.745) 11.190 8.018 ( 1.974 4.354 3.179) 5.741 8.142 ( 4.602 -0.960 5.833) 7.491 8.723 ( 15.167 5.002 -9.744) 18.708 8.804 ( 2.710 -7.767 -2.583) 8.622 9.551 ( -1.887 3.204 -1.538) 4.024 10.397 ( 9.354 -14.175 17.663) 24.503 11.693 ( -8.195 -11.325 -14.148) 19.889 56.155 ( -0.231 0.338 0.015) 0.410 56.507 ( -0.187 0.155 -0.178) 0.301 ======================= Grid point 485 (213/424) ======================= q-point: (-0.07 0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 10.804 17.616 25.419) 32.760 2.088 ( -38.063 13.256 37.461) 55.026 2.923 ( -6.573 35.128 19.021) 40.485 3.186 ( 12.246 23.658 2.957) 26.803 4.554 ( 0.615 2.651 -18.142) 18.344 5.328 ( 17.929 -0.563 -25.855) 31.468 7.296 ( -3.589 7.888 -4.488) 9.759 7.498 ( -7.463 -0.754 3.986) 8.494 7.688 ( 4.222 -4.811 2.254) 6.786 7.936 ( 1.652 7.032 2.710) 7.715 8.190 ( 0.970 1.850 4.210) 4.700 8.783 ( 24.440 5.179 -10.824) 27.226 8.939 ( 0.737 -6.295 -5.364) 8.303 9.464 ( -3.305 3.055 -2.819) 5.311 10.748 ( 1.430 -12.484 19.920) 23.552 11.742 ( -12.562 -10.232 -12.437) 20.425 56.148 ( -0.042 0.243 0.030) 0.249 56.504 ( -0.037 0.097 -0.207) 0.231 ======================= Grid point 488 (214/424) ======================= q-point: ( 0.13 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 6.681 -0.000 23.726) 24.649 1.533 ( 15.210 -0.000 20.890) 25.841 2.701 ( 15.090 -0.000 -14.726) 21.085 3.677 ( -12.202 0.000 -41.327) 43.090 4.333 ( 35.110 -0.000 42.463) 55.098 5.934 ( 25.663 -0.000 -15.659) 30.063 6.988 ( -1.010 0.000 3.566) 3.706 7.489 ( -6.164 0.000 -3.416) 7.047 7.659 ( 4.089 -0.000 3.242) 5.218 7.798 ( -4.783 0.000 -4.317) 6.444 8.152 ( 4.488 -0.000 3.938) 5.971 8.605 ( -19.196 0.000 -9.353) 21.353 9.197 ( -5.840 0.000 0.582) 5.869 9.352 ( 2.482 -0.000 -2.911) 3.826 10.589 ( -27.938 0.000 15.908) 32.150 11.322 ( -13.698 0.000 -15.761) 20.882 56.163 ( 0.910 -0.000 0.099) 0.915 56.515 ( 0.733 -0.000 -0.064) 0.736 ======================= Grid point 489 (215/424) ======================= q-point: ( 0.20 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 22.927 -2.173 8.998) 24.725 2.006 ( 15.371 -22.562 18.172) 32.796 2.848 ( 13.324 -6.465 -17.862) 23.203 3.526 ( -6.430 -8.625 -36.905) 38.440 4.833 ( 32.913 -5.123 36.485) 49.403 6.128 ( 22.259 0.541 -8.695) 23.903 7.034 ( -0.095 -4.097 5.090) 6.535 7.412 ( -5.666 2.407 -4.728) 7.762 7.685 ( -2.572 -2.065 -3.754) 4.997 7.737 ( -0.387 1.718 -0.961) 2.006 8.225 ( -2.189 -1.277 0.855) 2.674 8.430 ( -14.837 -5.586 -7.352) 17.476 9.170 ( -7.106 -3.711 0.452) 8.030 9.333 ( -5.592 0.447 3.199) 6.458 10.353 ( -28.226 0.569 15.160) 32.044 11.052 ( -10.446 11.032 -20.977) 25.901 56.172 ( 1.024 -0.030 0.101) 1.029 56.522 ( 0.833 0.025 -0.010) 0.833 ======================= Grid point 490 (216/424) ======================= q-point: ( 0.27 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 31.866 -5.936 -3.510) 32.604 2.510 ( 7.157 -13.825 4.223) 16.130 3.173 ( 13.206 -24.623 -13.196) 30.901 3.690 ( 8.286 -17.408 -18.616) 26.800 5.292 ( 24.528 -5.339 24.294) 34.933 6.232 ( 10.581 6.002 -0.451) 12.173 7.145 ( 0.548 -5.523 5.409) 7.750 7.259 ( -2.636 5.176 -7.054) 9.137 7.685 ( -1.654 -2.512 -5.627) 6.380 7.767 ( -2.795 -6.600 -2.228) 7.505 8.126 ( -12.603 -0.895 -3.639) 13.148 8.476 ( -2.613 -4.955 -4.626) 7.266 9.184 ( -11.175 -5.406 1.922) 12.562 9.263 ( -8.211 0.241 7.721) 11.273 10.161 ( -24.395 -2.423 16.914) 29.784 10.651 ( -5.872 17.080 -24.622) 30.536 56.183 ( 1.035 -0.007 0.081) 1.038 56.530 ( 0.855 0.049 0.016) 0.857 ======================= Grid point 491 (217/424) ======================= q-point: ( 0.33 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 31.547 -9.487 -12.664) 35.293 2.737 ( 5.976 -10.000 -7.632) 13.927 3.726 ( 16.357 -17.686 1.293) 24.125 4.194 ( 16.612 -30.346 -5.997) 35.111 5.607 ( 13.530 -4.457 10.521) 17.709 6.060 ( -7.452 14.653 3.917) 16.899 7.182 ( -0.350 -3.767 -3.342) 5.048 7.314 ( 7.990 -3.191 4.749) 9.827 7.720 ( -0.901 -4.390 -6.399) 7.813 7.854 ( -8.018 -9.206 -5.038) 13.207 8.073 ( -5.188 -3.834 -0.537) 6.474 8.457 ( -3.558 1.541 -7.587) 8.520 9.075 ( -16.764 1.991 7.845) 18.616 9.296 ( -4.390 -6.160 5.753) 9.503 10.073 ( -19.185 -4.463 17.313) 26.224 10.243 ( -1.794 15.794 -24.027) 28.809 56.192 ( 0.950 0.057 0.052) 0.954 56.536 ( 0.785 0.088 0.005) 0.790 ======================= Grid point 492 (218/424) ======================= q-point: ( 0.40 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.826 ( 7.212 -14.126 -16.081) 22.587 3.045 ( 31.196 -8.730 -6.753) 33.091 4.083 ( 18.576 -3.642 6.882) 20.142 4.920 ( 16.845 -30.744 1.009) 35.071 5.680 ( -15.631 13.985 7.096) 22.142 5.793 ( 5.267 -4.931 -2.715) 7.708 7.272 ( 0.772 -4.008 3.527) 5.395 7.452 ( 5.686 -3.585 2.915) 7.327 7.764 ( -6.216 -6.300 -6.865) 11.201 7.921 ( -4.673 -7.864 -7.708) 11.962 8.111 ( -7.452 -3.669 2.700) 8.734 8.363 ( 2.054 3.725 -8.034) 9.091 8.910 ( -11.953 1.829 7.037) 13.991 9.383 ( -2.809 -4.745 7.125) 9.009 9.928 ( 1.517 9.748 -18.392) 20.871 10.051 ( -17.239 -4.215 14.298) 22.789 56.199 ( 0.791 0.147 0.024) 0.805 56.541 ( 0.632 0.148 -0.026) 0.649 ======================= Grid point 493 (219/424) ======================= q-point: ( 0.47 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.051 ( -0.395 -12.628 -8.978) 15.499 3.526 ( 39.182 -9.624 -12.161) 42.140 4.251 ( 16.940 6.210 9.330) 20.312 5.286 ( -15.849 10.581 11.330) 22.171 5.519 ( 6.540 -15.124 5.973) 17.526 5.963 ( 6.591 -11.992 -13.109) 18.950 7.297 ( -0.477 3.044 2.016) 3.682 7.558 ( -5.236 -6.248 6.366) 10.343 7.790 ( -4.186 -3.698 -6.132) 8.295 7.970 ( -5.647 -3.492 -5.085) 8.363 8.090 ( -8.854 -7.082 -1.215) 11.403 8.327 ( 6.556 3.964 -5.294) 9.313 8.882 ( -1.734 -3.883 5.316) 6.807 9.421 ( -0.373 1.483 5.180) 5.401 9.818 ( 0.020 -1.668 -9.984) 10.122 9.993 ( -14.294 -1.849 11.378) 18.363 56.202 ( 0.584 0.249 0.003) 0.635 56.543 ( 0.427 0.220 -0.057) 0.483 ======================= Grid point 494 (220/424) ======================= q-point: ( 0.53 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.212 ( -1.494 -8.274 -3.320) 9.039 4.019 ( 38.245 -8.420 -17.485) 42.887 4.252 ( 12.093 10.939 7.491) 17.945 4.963 ( -18.270 11.115 17.238) 27.468 5.708 ( -4.882 -4.808 4.790) 8.360 6.240 ( 12.010 -10.264 -15.042) 21.814 7.196 ( -1.826 5.647 1.276) 6.071 7.588 ( -9.512 -2.949 1.971) 10.152 7.762 ( -4.922 -0.908 1.282) 5.166 7.999 ( 0.707 -4.492 -1.782) 4.884 8.147 ( -8.245 -5.500 -3.489) 10.507 8.325 ( 4.627 0.380 -2.292) 5.178 8.983 ( 2.042 -4.084 2.378) 5.148 9.375 ( 2.030 4.285 2.452) 5.338 9.865 ( -8.985 -3.757 3.992) 10.525 9.976 ( -2.745 -8.547 1.539) 9.108 56.201 ( 0.363 0.345 -0.007) 0.501 56.541 ( 0.213 0.286 -0.074) 0.364 ======================= Grid point 495 (221/424) ======================= q-point: (-0.40 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( -2.652 -2.145 0.644) 3.471 4.145 ( 1.373 7.692 2.268) 8.136 4.366 ( 21.129 6.437 -11.546) 24.924 4.705 ( -2.418 3.894 10.755) 11.691 5.673 ( -6.833 3.323 4.355) 8.757 6.388 ( 6.623 -1.207 -15.154) 16.582 7.143 ( 3.311 0.888 3.942) 5.225 7.519 ( -7.939 -0.057 -0.947) 7.995 7.776 ( -5.208 -4.101 6.078) 8.993 8.034 ( -5.020 7.166 -1.731) 8.919 8.119 ( -2.888 -6.764 1.935) 7.605 8.364 ( 3.563 -0.016 -3.340) 4.884 9.028 ( 0.622 0.858 -2.470) 2.688 9.372 ( 5.992 0.403 3.755) 7.083 9.826 ( -6.935 -1.110 3.396) 7.802 10.224 ( -1.531 -18.891 1.345) 19.001 56.197 ( 0.159 0.423 -0.008) 0.452 56.536 ( 0.033 0.330 -0.078) 0.341 ======================= Grid point 496 (222/424) ======================= q-point: (-0.33 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.231 ( -4.112 5.190 2.962) 7.254 4.008 ( -16.280 4.822 4.848) 17.658 4.102 ( -5.502 17.509 12.350) 22.122 4.858 ( 25.961 0.953 -20.483) 33.082 5.516 ( -2.378 9.392 2.217) 9.939 6.344 ( 3.931 7.148 -12.074) 14.571 7.225 ( 5.226 -1.521 6.985) 8.855 7.459 ( -5.616 -0.603 0.009) 5.648 7.776 ( -12.261 8.523 3.461) 15.329 7.823 ( -5.434 -4.708 5.154) 8.846 8.251 ( 3.136 -6.222 1.871) 7.214 8.354 ( 3.663 3.778 -4.609) 6.996 8.976 ( 1.153 3.495 -6.312) 7.307 9.490 ( 10.018 -3.196 5.265) 11.760 9.795 ( -4.493 -0.224 2.191) 5.004 10.576 ( -3.952 -22.565 -0.013) 22.908 56.189 ( -0.003 0.478 -0.005) 0.478 56.530 ( -0.086 0.345 -0.079) 0.364 ======================= Grid point 497 (223/424) ======================= q-point: (-0.27 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.045 ( -3.361 12.759 5.176) 14.173 3.568 ( -30.901 17.178 27.382) 44.718 3.958 ( -2.462 3.081 -5.486) 6.756 4.920 ( 16.189 8.505 -18.984) 26.360 5.356 ( 9.173 10.719 -6.860) 15.688 6.100 ( 1.675 21.944 -6.847) 23.048 7.224 ( 0.356 6.048 10.325) 11.971 7.446 ( -5.731 -3.418 -0.316) 6.681 7.700 ( 0.549 -6.654 1.111) 6.768 7.870 ( -6.387 -5.419 4.808) 9.658 8.262 ( 0.488 6.253 -6.841) 9.281 8.405 ( 2.787 -5.917 5.421) 8.495 8.914 ( 5.934 4.325 -9.332) 11.874 9.680 ( 10.347 -2.582 7.314) 12.931 9.767 ( -1.820 -1.692 3.177) 4.034 10.914 ( -7.581 -21.766 -3.969) 23.387 56.180 ( -0.099 0.505 -0.003) 0.515 56.523 ( -0.133 0.331 -0.089) 0.368 ======================= Grid point 498 (224/424) ======================= q-point: (-0.20 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 2.490 20.500 9.809) 22.862 3.046 ( -36.699 15.204 35.292) 53.137 3.851 ( -4.624 2.841 -12.151) 13.308 4.767 ( 4.531 15.481 -10.151) 19.058 5.252 ( 14.911 14.455 -10.449) 23.248 5.616 ( 6.305 28.552 -5.809) 29.811 7.213 ( 2.811 -0.878 7.037) 7.629 7.448 ( -6.446 -2.627 4.449) 8.262 7.874 ( 1.976 -5.594 1.138) 6.040 7.930 ( -0.596 -4.917 -3.530) 6.082 8.118 ( -5.562 2.828 -3.170) 6.999 8.544 ( 2.886 -5.202 4.545) 7.487 8.895 ( 12.285 4.075 -11.140) 17.077 9.672 ( -2.235 3.317 2.798) 4.881 9.981 ( 10.293 -9.082 12.651) 18.667 11.162 ( -12.261 -18.708 -9.120) 24.156 56.170 ( -0.106 0.499 -0.002) 0.510 56.515 ( -0.112 0.296 -0.114) 0.337 ======================= Grid point 499 (225/424) ======================= q-point: (-0.13 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -2.747 23.675 21.886) 32.359 2.576 ( -27.172 13.519 34.852) 46.214 3.702 ( -2.254 5.309 -16.553) 17.529 4.326 ( -5.249 32.399 -4.070) 33.073 4.962 ( 9.197 23.414 5.621) 25.776 5.440 ( 23.616 7.741 -21.534) 32.883 7.317 ( 0.583 -5.998 2.883) 6.680 7.441 ( -3.949 -0.289 8.270) 9.169 7.775 ( -5.759 8.552 -9.098) 13.751 8.003 ( -1.434 -4.626 3.163) 5.785 8.167 ( 2.674 -5.125 0.721) 5.826 8.678 ( 2.989 -6.092 0.231) 6.789 8.935 ( 16.741 3.291 -11.979) 20.847 9.589 ( -3.255 3.761 2.032) 5.373 10.291 ( 6.472 -11.435 17.578) 21.946 11.290 ( -17.381 -15.478 -13.316) 26.813 56.161 ( -0.011 0.448 0.002) 0.448 56.510 ( -0.026 0.246 -0.144) 0.286 ======================= Grid point 500 (226/424) ======================= q-point: (-0.07 0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -28.804 14.137 37.900) 49.658 2.270 ( 4.647 20.324 23.915) 31.727 3.492 ( 0.843 21.814 -14.159) 26.020 3.679 ( 1.928 25.459 5.820) 26.187 4.698 ( 6.207 17.439 0.668) 18.523 5.511 ( 25.543 4.292 -24.082) 35.367 7.367 ( -8.873 -1.534 -1.104) 9.072 7.411 ( -2.025 4.762 3.832) 6.439 7.627 ( -0.812 -2.796 -2.280) 3.698 8.040 ( -0.759 1.458 3.391) 3.768 8.253 ( 3.818 0.008 2.518) 4.573 8.803 ( 0.034 -6.520 -4.841) 8.121 9.025 ( 20.079 2.127 -12.192) 23.587 9.491 ( -3.843 4.033 1.307) 5.722 10.578 ( -2.055 -11.723 19.925) 23.209 11.325 ( -20.727 -14.155 -13.570) 28.533 56.155 ( 0.181 0.349 0.015) 0.393 56.506 ( 0.134 0.172 -0.154) 0.267 ======================= Grid point 504 (227/424) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 20.228 -0.000 18.656) 27.518 1.993 ( 34.205 -0.000 -2.445) 34.293 2.911 ( 15.696 -0.000 -15.305) 21.923 3.221 ( -7.404 0.000 -42.285) 42.928 5.235 ( 34.412 -0.000 37.265) 50.724 6.329 ( 21.341 -0.000 -3.546) 21.633 7.012 ( 0.246 -0.000 6.443) 6.447 7.324 ( -8.404 0.000 -3.993) 9.305 7.660 ( -6.645 0.000 -5.813) 8.828 7.766 ( 3.718 -0.000 -0.725) 3.788 8.112 ( -25.156 0.000 -9.572) 26.915 8.263 ( 4.702 -0.000 3.435) 5.823 9.049 ( -10.508 0.000 -1.439) 10.606 9.281 ( -9.320 0.000 7.038) 11.679 10.123 ( -27.831 0.000 12.077) 30.339 10.994 ( -8.795 0.000 -24.927) 26.433 56.183 ( 1.146 -0.000 0.115) 1.151 56.531 ( 0.922 -0.000 0.010) 0.922 ======================= Grid point 505 (228/424) ======================= q-point: ( 0.27 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 38.200 -1.916 -8.413) 39.162 2.404 ( 16.318 -11.083 9.194) 21.763 2.958 ( 12.817 -6.348 -20.887) 25.315 3.346 ( 6.906 -20.366 -23.944) 32.184 5.622 ( 29.018 2.551 30.989) 42.531 6.459 ( 12.856 5.992 2.979) 14.493 7.073 ( -0.521 -4.000 5.775) 7.045 7.258 ( -5.581 -0.797 -2.980) 6.377 7.521 ( -10.100 0.752 -8.637) 13.311 7.714 ( -11.881 -1.019 -5.701) 13.217 7.968 ( -5.362 -2.638 -2.689) 6.553 8.371 ( 2.331 -5.180 0.106) 5.681 8.972 ( -13.785 -4.569 -0.075) 14.523 9.204 ( -10.112 0.324 7.696) 12.711 9.930 ( -22.982 -2.048 11.873) 25.949 10.759 ( -6.690 9.274 -26.549) 28.907 56.194 ( 1.164 0.035 0.103) 1.170 56.539 ( 0.939 0.058 0.009) 0.941 ======================= Grid point 506 (229/424) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 14.703 -1.204 -20.632) 25.364 2.776 ( 33.740 -7.046 -1.683) 34.509 3.458 ( 19.767 -27.952 1.884) 34.287 3.797 ( 12.727 -26.869 -17.329) 34.413 5.840 ( 18.315 6.748 21.332) 28.914 6.286 ( -7.911 17.020 5.073) 19.442 7.120 ( 0.731 -3.022 -1.585) 3.490 7.311 ( 2.842 -5.018 7.092) 9.141 7.507 ( -9.123 -10.600 -8.626) 16.431 7.622 ( -12.962 -4.642 -6.333) 15.154 7.999 ( 2.169 -1.846 -0.761) 2.948 8.431 ( 0.031 -0.732 -4.294) 4.356 8.928 ( -15.482 -3.895 4.343) 16.544 9.159 ( -7.042 -3.936 4.760) 9.367 9.838 ( -18.163 -5.125 13.677) 23.307 10.424 ( -3.886 13.657 -25.008) 28.758 56.204 ( 1.087 0.117 0.075) 1.096 56.546 ( 0.868 0.131 -0.021) 0.878 ======================= Grid point 507 (230/424) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 8.295 -7.045 -13.783) 17.562 3.237 ( 40.831 -6.693 -9.213) 42.389 4.065 ( 16.426 -18.300 4.538) 25.006 4.479 ( 18.151 -36.539 -8.714) 41.719 5.810 ( -9.631 15.071 7.644) 19.450 5.911 ( -0.071 10.627 9.475) 14.238 7.217 ( 2.648 -4.542 4.153) 6.700 7.429 ( -2.161 -5.487 2.345) 6.347 7.522 ( -12.592 -6.091 -8.396) 16.314 7.692 ( -2.489 -11.063 -2.656) 11.647 8.026 ( -2.916 -0.276 -0.313) 2.946 8.419 ( 5.001 1.102 -6.737) 8.462 8.835 ( -12.173 -0.143 5.985) 13.565 9.239 ( -4.159 -8.534 3.506) 10.121 9.826 ( -15.559 -6.274 13.996) 21.848 10.093 ( -1.561 12.815 -20.412) 24.152 56.210 ( 0.930 0.224 0.045) 0.958 56.551 ( 0.714 0.215 -0.066) 0.749 ======================= Grid point 508 (231/424) ======================= q-point: ( 0.47 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.842 ( 5.744 -9.835 -6.275) 13.003 3.721 ( 41.413 -7.418 -12.393) 43.860 4.460 ( 17.510 -6.389 5.056) 19.313 5.230 ( 14.464 -25.478 -0.195) 29.298 5.407 ( -16.584 11.105 6.947) 21.133 5.840 ( -0.200 0.532 1.010) 1.159 7.309 ( -2.001 -2.369 5.876) 6.644 7.449 ( -5.908 -2.128 2.502) 6.760 7.545 ( -10.463 -11.311 -10.486) 18.638 7.843 ( 0.200 -6.775 -1.463) 6.934 7.948 ( -9.186 1.173 2.995) 9.733 8.442 ( 8.859 2.732 -9.592) 13.340 8.802 ( -4.050 -4.141 6.178) 8.469 9.367 ( -2.230 -7.385 4.492) 8.927 9.817 ( -11.895 -0.881 8.293) 14.528 9.852 ( -2.846 3.977 -10.809) 11.863 56.213 ( 0.721 0.339 0.020) 0.797 56.552 ( 0.506 0.301 -0.106) 0.598 ======================= Grid point 509 (232/424) ======================= q-point: ( 0.53 0.20 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.047 ( 3.310 -9.002 -0.449) 9.602 4.186 ( 35.881 -6.434 -14.639) 39.283 4.615 ( 17.928 9.189 4.852) 20.722 5.052 ( -15.084 10.683 13.553) 22.920 5.572 ( -5.421 -6.075 6.251) 10.265 6.060 ( 11.327 -17.623 -14.421) 25.433 7.280 ( -2.620 3.253 5.050) 6.553 7.455 ( -6.745 -3.176 2.755) 7.948 7.621 ( -9.184 -10.584 -10.183) 17.322 7.850 ( -6.754 -1.500 6.687) 9.622 7.967 ( -4.626 -6.774 2.204) 8.494 8.429 ( 8.470 4.007 -10.444) 14.032 8.914 ( 1.464 -6.428 3.556) 7.491 9.453 ( 1.182 -0.513 4.119) 4.316 9.711 ( -7.890 -1.800 -2.027) 8.342 9.832 ( -6.847 -4.336 3.298) 8.750 56.212 ( 0.493 0.445 0.006) 0.664 56.549 ( 0.290 0.372 -0.126) 0.488 ======================= Grid point 510 (233/424) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.199 ( 0.401 -5.218 3.415) 6.249 4.308 ( -0.291 10.739 -3.278) 11.232 4.709 ( 19.276 10.723 -1.434) 22.105 4.805 ( 5.806 2.738 5.313) 8.333 5.628 ( -4.478 -4.123 5.467) 8.182 6.333 ( 7.186 -7.360 -16.541) 19.479 7.235 ( 3.530 3.131 5.904) 7.558 7.424 ( -7.776 -1.226 -0.350) 7.880 7.688 ( -3.469 -5.653 -0.195) 6.635 7.871 ( -13.659 -6.731 5.751) 16.277 8.043 ( -2.900 -5.536 3.198) 7.021 8.418 ( 8.098 2.548 -9.933) 13.067 9.020 ( 1.577 -2.434 -1.902) 3.469 9.456 ( 4.218 2.062 4.217) 6.311 9.706 ( -8.555 -5.134 2.449) 10.274 9.921 ( -4.915 -11.561 1.903) 12.706 56.207 ( 0.281 0.526 0.001) 0.596 56.543 ( 0.109 0.416 -0.124) 0.448 ======================= Grid point 511 (234/424) ======================= q-point: (-0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( -3.401 0.494 5.966) 6.885 4.018 ( -14.468 11.514 0.885) 18.512 4.418 ( -5.461 18.332 14.037) 23.726 5.053 ( 25.844 -0.709 -18.362) 31.711 5.638 ( 3.565 3.561 0.532) 5.067 6.412 ( 5.866 -0.760 -11.664) 13.078 7.264 ( 2.178 -0.282 4.483) 4.992 7.387 ( -3.216 -1.811 1.304) 3.915 7.745 ( -1.619 -2.421 4.288) 5.184 7.775 ( -15.382 3.400 5.711) 16.757 8.154 ( -0.760 -7.491 5.289) 9.201 8.419 ( 4.945 2.151 -10.289) 11.617 9.020 ( 2.571 1.705 -7.583) 8.187 9.532 ( 6.370 -3.204 6.448) 9.614 9.728 ( -4.083 -3.073 1.951) 5.470 10.141 ( -8.263 -19.007 1.872) 20.810 56.199 ( 0.113 0.575 0.001) 0.586 56.536 ( -0.006 0.427 -0.112) 0.442 ======================= Grid point 512 (235/424) ======================= q-point: (-0.27 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( -7.117 5.710 8.418) 12.414 3.642 ( -22.691 13.428 10.800) 28.493 4.115 ( -1.490 14.581 4.598) 15.361 5.140 ( 12.329 6.035 -11.920) 18.180 5.594 ( 13.244 7.425 -14.190) 20.782 6.394 ( 7.344 9.036 -7.113) 13.645 7.255 ( -9.552 -1.407 4.162) 10.514 7.450 ( 5.672 2.202 8.550) 10.494 7.600 ( -5.306 -1.286 0.505) 5.483 7.776 ( -2.802 -1.516 6.891) 7.591 8.302 ( -0.282 -5.562 3.856) 6.774 8.349 ( -0.850 2.903 -7.229) 7.837 9.006 ( 7.823 1.989 -11.142) 13.759 9.693 ( -0.098 -5.859 6.106) 8.463 9.754 ( 5.658 -1.094 4.967) 7.608 10.414 ( -12.613 -22.001 -1.385) 25.398 56.189 ( 0.015 0.591 0.000) 0.591 56.528 ( -0.043 0.409 -0.102) 0.423 ======================= Grid point 513 (236/424) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.976 ( -13.397 8.509 19.070) 24.810 3.196 ( -16.938 17.784 13.919) 28.230 3.890 ( -2.221 9.644 -5.281) 11.217 5.036 ( 5.213 12.013 -4.068) 13.712 5.555 ( 17.759 7.832 -21.753) 29.153 6.134 ( 4.930 23.632 -5.839) 24.837 7.200 ( -8.480 -1.571 7.381) 11.351 7.447 ( 5.553 2.808 8.968) 10.916 7.765 ( 4.336 -11.246 -0.958) 12.091 7.801 ( -2.555 -3.141 4.982) 6.420 8.150 ( -6.790 7.855 -9.156) 13.843 8.475 ( 1.276 -7.152 5.143) 8.901 9.033 ( 12.214 2.045 -12.158) 17.354 9.693 ( -3.950 1.043 3.080) 5.116 9.964 ( 9.079 -7.392 12.980) 17.480 10.644 ( -17.269 -20.692 -6.873) 27.814 56.179 ( 0.008 0.570 -0.002) 0.570 56.521 ( -0.007 0.369 -0.100) 0.382 ======================= Grid point 514 (237/424) ======================= q-point: (-0.13 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -29.133 16.937 34.398) 48.154 2.915 ( 6.796 14.415 11.368) 19.576 3.690 ( -4.628 5.724 -14.860) 16.583 4.767 ( 0.949 22.102 -1.330) 22.163 5.478 ( 14.298 16.952 -8.679) 23.814 5.784 ( 14.687 16.298 -13.108) 25.557 7.195 ( -7.438 -3.759 5.021) 9.730 7.496 ( 6.453 2.104 10.174) 12.230 7.842 ( -3.164 4.706 -5.400) 7.830 7.895 ( -5.377 -2.639 0.487) 6.010 8.036 ( 2.870 -9.702 -2.804) 10.499 8.612 ( 1.616 -5.569 1.773) 6.064 9.092 ( 14.167 1.609 -11.464) 18.295 9.628 ( -3.727 3.177 3.820) 6.210 10.219 ( 4.531 -8.610 17.508) 20.030 10.770 ( -21.534 -17.553 -12.296) 30.381 56.170 ( 0.103 0.508 -0.002) 0.519 56.515 ( 0.094 0.313 -0.104) 0.343 ======================= Grid point 515 (238/424) ======================= q-point: (-0.07 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -23.259 17.740 33.767) 44.676 2.762 ( 10.631 18.377 17.725) 27.657 3.549 ( -2.263 -0.006 -20.561) 20.685 4.264 ( 0.481 33.775 1.550) 33.814 5.209 ( 13.156 23.894 3.893) 27.553 5.765 ( 21.418 4.659 -19.421) 29.285 7.207 ( -8.443 -4.532 2.272) 9.848 7.536 ( 4.518 4.261 6.466) 8.965 7.594 ( -7.351 5.860 -7.449) 11.995 8.008 ( 0.431 -5.264 4.406) 6.878 8.215 ( 2.177 -6.932 -2.094) 7.561 8.706 ( 0.155 -4.110 -2.898) 5.031 9.175 ( 13.742 0.568 -9.537) 16.737 9.538 ( -3.746 4.201 4.096) 6.961 10.431 ( -3.844 -8.362 19.601) 21.654 10.806 ( -22.997 -15.585 -14.749) 31.453 56.164 ( 0.293 0.403 0.006) 0.498 56.511 ( 0.257 0.234 -0.097) 0.361 ======================= Grid point 520 (239/424) ======================= q-point: ( 0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 22.006 -0.000 16.319) 27.397 2.648 ( 37.000 -0.000 -23.768) 43.976 3.032 ( 12.870 -0.000 -21.511) 25.067 3.101 ( 13.332 -0.000 -15.062) 20.115 6.015 ( 26.392 -0.000 29.905) 39.886 6.658 ( 10.450 -0.000 5.863) 11.982 7.032 ( -4.234 0.000 4.027) 5.843 7.173 ( -3.623 0.000 0.513) 3.659 7.386 ( -31.197 0.000 -8.988) 32.466 7.489 ( -7.256 0.000 -6.721) 9.891 7.964 ( 5.904 -0.000 -2.590) 6.447 8.358 ( 3.510 -0.000 2.072) 4.075 8.792 ( -14.811 0.000 0.202) 14.812 9.128 ( -10.414 0.000 5.668) 11.857 9.749 ( -16.937 0.000 8.415) 18.913 10.694 ( -7.593 0.000 -27.015) 28.062 56.206 ( 1.190 -0.000 0.103) 1.194 56.549 ( 0.945 -0.000 -0.023) 0.945 ======================= Grid point 521 (240/424) ======================= q-point: ( 0.33 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 14.887 7.029 -10.491) 19.521 2.950 ( 32.267 -12.191 -3.225) 34.644 3.303 ( 32.598 -11.539 -6.671) 35.218 3.418 ( 10.354 -21.276 -15.967) 28.545 6.223 ( 15.896 8.388 23.473) 29.564 6.504 ( -14.335 16.699 2.311) 22.129 7.067 ( 1.187 -5.898 1.835) 6.290 7.164 ( -17.083 -4.822 -3.165) 18.031 7.262 ( 0.973 -9.590 5.300) 11.000 7.425 ( -8.104 -1.938 -6.147) 10.354 8.018 ( 5.086 -0.356 -2.405) 5.638 8.411 ( 1.993 -1.539 -0.666) 2.605 8.708 ( -13.131 -5.046 2.792) 14.342 9.055 ( -8.334 -1.171 2.508) 8.782 9.661 ( -11.480 -2.307 8.002) 14.182 10.483 ( -7.177 6.841 -24.810) 26.718 56.216 ( 1.116 0.095 0.084) 1.124 56.556 ( 0.869 0.098 -0.074) 0.878 ======================= Grid point 522 (241/424) ======================= q-point: ( 0.40 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( 14.467 2.336 -6.862) 16.182 3.482 ( 39.803 -8.751 -7.402) 41.420 3.854 ( 15.092 -21.374 0.493) 26.170 3.976 ( 20.147 -33.160 -11.954) 40.601 6.009 ( -20.051 18.349 1.373) 27.214 6.175 ( 3.436 12.691 16.456) 21.063 7.134 ( -14.735 -8.002 -1.688) 16.852 7.199 ( 1.264 -5.807 2.382) 6.403 7.375 ( -5.353 -2.592 -6.807) 9.040 7.502 ( 2.696 -11.052 8.129) 13.981 8.032 ( 0.338 1.770 -1.233) 2.184 8.451 ( 4.942 -1.260 -3.740) 6.324 8.702 ( -10.672 -4.087 4.753) 12.377 9.063 ( -4.003 -6.636 -0.004) 7.750 9.647 ( -8.763 -3.869 8.549) 12.839 10.205 ( -5.825 9.705 -19.841) 22.842 56.224 ( 0.961 0.223 0.057) 0.988 56.561 ( 0.716 0.212 -0.132) 0.758 ======================= Grid point 523 (242/424) ======================= q-point: ( 0.47 0.27 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 13.118 -2.387 0.732) 13.353 3.963 ( 40.641 -5.993 -11.062) 42.544 4.356 ( 12.873 -20.893 -1.167) 24.568 4.784 ( 18.126 -37.158 -4.922) 41.635 5.530 ( -17.344 16.525 3.711) 24.242 5.970 ( -5.940 12.485 11.015) 17.677 7.135 ( -15.980 -9.118 -2.384) 18.552 7.290 ( -4.338 -5.829 -1.176) 7.361 7.380 ( 0.553 -1.661 -1.487) 2.297 7.710 ( -1.146 -8.620 5.363) 10.217 7.964 ( -1.840 4.303 2.946) 5.530 8.523 ( 8.253 0.049 -9.714) 12.747 8.694 ( -6.016 -4.570 6.608) 10.037 9.192 ( -1.587 -9.865 0.005) 9.991 9.666 ( -7.975 -3.986 8.528) 12.337 9.938 ( -4.425 9.073 -13.693) 17.012 56.227 ( 0.750 0.359 0.032) 0.832 56.562 ( 0.511 0.323 -0.176) 0.630 ======================= Grid point 524 (243/424) ======================= q-point: ( 0.53 0.27 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 10.533 -4.228 6.532) 13.095 4.384 ( 33.243 -4.369 -11.887) 35.573 4.811 ( 18.976 -12.406 0.628) 22.680 5.125 ( -14.728 12.753 6.276) 20.468 5.421 ( 0.738 -12.934 -0.424) 12.962 5.819 ( 0.449 -8.666 -0.456) 8.689 7.155 ( -15.544 -11.383 -1.023) 19.294 7.328 ( -4.150 -3.812 -2.488) 6.160 7.404 ( -0.795 -1.007 -1.133) 1.712 7.801 ( -8.485 -4.937 6.984) 12.047 7.905 ( 2.961 3.373 5.790) 7.326 8.524 ( 5.488 2.204 -11.357) 12.804 8.812 ( 1.639 -7.511 3.822) 8.585 9.355 ( -0.656 -9.374 0.580) 9.415 9.665 ( -8.152 0.141 7.537) 11.103 9.744 ( -3.335 3.121 -7.822) 9.058 56.225 ( 0.516 0.481 0.016) 0.705 56.558 ( 0.299 0.411 -0.192) 0.543 ======================= Grid point 525 (244/424) ======================= q-point: ( 0.60 0.27 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.173 ( 6.806 -2.928 9.890) 12.357 4.497 ( 0.133 11.875 -5.695) 13.171 4.924 ( 1.269 4.420 7.342) 8.663 5.047 ( 18.535 6.940 -5.591) 20.566 5.472 ( -2.283 -11.668 6.047) 13.339 6.164 ( 7.337 -14.617 -14.189) 21.652 7.250 ( -11.709 -11.373 1.757) 16.418 7.339 ( -0.873 -1.155 -1.301) 1.946 7.416 ( -2.529 -5.416 -1.300) 6.117 7.802 ( -7.069 -1.182 13.111) 14.942 7.927 ( 0.496 -2.093 2.610) 3.382 8.505 ( 5.603 2.344 -11.155) 12.701 8.961 ( 2.567 -5.662 -0.915) 6.284 9.510 ( -0.468 -8.340 0.832) 8.394 9.549 ( -4.561 3.884 2.419) 6.461 9.735 ( -5.683 -4.959 1.949) 7.790 56.220 ( 0.294 0.573 0.007) 0.644 56.552 ( 0.123 0.463 -0.181) 0.512 ======================= Grid point 526 (245/424) ======================= q-point: (-0.33 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( 1.700 0.986 11.845) 12.007 4.135 ( -12.839 16.379 -3.410) 21.089 4.688 ( -9.378 15.269 11.131) 21.095 5.195 ( 17.472 -2.004 -12.048) 21.318 5.718 ( 12.437 -3.405 0.502) 12.904 6.354 ( 5.225 -8.029 -12.229) 15.534 7.245 ( -8.196 -0.459 0.228) 8.212 7.363 ( 1.502 -2.274 -1.695) 3.209 7.572 ( -5.264 -10.100 4.918) 12.406 7.792 ( -0.278 1.902 11.983) 12.136 8.009 ( -1.981 -7.392 3.440) 8.391 8.473 ( 3.128 2.758 -11.417) 12.155 9.035 ( 3.484 -1.092 -7.267) 8.132 9.503 ( -5.003 -3.502 5.150) 7.989 9.653 ( 4.180 -4.941 2.111) 6.808 9.807 ( -8.506 -9.974 3.454) 13.556 56.211 ( 0.120 0.624 0.004) 0.635 56.544 ( 0.016 0.474 -0.152) 0.498 ======================= Grid point 527 (246/424) ======================= q-point: (-0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -4.296 6.045 13.715) 15.591 3.716 ( -15.530 14.511 -1.419) 21.302 4.365 ( -7.092 14.701 7.293) 17.877 5.297 ( 10.276 2.691 -6.426) 12.415 5.776 ( 10.557 4.833 -14.736) 18.761 6.514 ( 8.659 -2.611 -5.521) 10.596 7.166 ( -8.178 0.309 4.118) 9.162 7.452 ( 3.196 -6.130 -3.321) 7.669 7.602 ( -3.602 1.708 8.444) 9.338 7.812 ( 3.566 2.279 9.576) 10.470 8.165 ( -0.311 -9.439 5.330) 10.844 8.379 ( -2.967 4.622 -11.615) 12.848 9.064 ( 7.806 -0.192 -11.550) 13.942 9.581 ( -3.548 -6.551 5.874) 9.487 9.783 ( 5.446 -4.030 4.740) 8.268 9.945 ( -12.495 -15.585 2.090) 20.085 56.201 ( 0.019 0.632 0.002) 0.632 56.535 ( -0.011 0.450 -0.120) 0.466 ======================= Grid point 528 (247/424) ======================= q-point: (-0.20 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( -10.984 9.455 19.505) 24.300 3.339 ( -11.107 12.496 0.203) 16.720 4.080 ( -4.084 13.492 1.879) 14.222 5.265 ( 7.043 8.389 -1.404) 11.043 5.734 ( 10.732 4.194 -22.486) 25.266 6.464 ( 0.627 11.774 -6.093) 13.272 7.133 ( -2.826 -0.294 7.106) 7.653 7.564 ( 2.241 -2.051 4.319) 5.280 7.654 ( 8.538 -5.860 1.585) 10.476 7.810 ( 1.961 3.638 9.711) 10.554 8.189 ( -7.404 7.032 -9.908) 14.228 8.349 ( 0.492 -8.909 3.823) 9.707 9.123 ( 10.513 -0.137 -12.257) 16.149 9.654 ( -2.882 -2.693 4.980) 6.353 9.942 ( 2.533 -7.445 9.279) 12.163 10.113 ( -14.801 -17.452 -2.400) 23.009 56.190 ( 0.012 0.598 -0.002) 0.598 56.527 ( 0.035 0.403 -0.095) 0.415 ======================= Grid point 529 (248/424) ======================= q-point: (-0.13 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -17.996 15.897 26.414) 35.697 3.146 ( 3.451 5.344 1.477) 6.530 3.800 ( -4.320 13.767 -4.649) 15.159 5.127 ( 6.149 14.893 0.841) 16.134 5.719 ( 12.196 2.587 -21.839) 25.147 6.156 ( -0.896 18.182 -3.911) 18.619 7.133 ( -0.575 0.705 4.607) 4.696 7.671 ( 10.778 1.577 10.794) 15.335 7.776 ( -1.951 -1.668 6.618) 7.099 7.882 ( 5.657 -5.973 -2.951) 8.740 7.950 ( -6.278 6.315 -8.918) 12.602 8.504 ( -0.412 -7.445 1.430) 7.592 9.190 ( 10.145 -0.002 -10.040) 14.274 9.649 ( -3.035 1.470 5.200) 6.198 10.116 ( -8.859 -11.684 6.275) 15.949 10.260 ( -10.112 -13.543 -1.196) 16.944 56.180 ( 0.108 0.522 -0.006) 0.533 56.521 ( 0.145 0.339 -0.076) 0.377 ======================= Grid point 530 (249/424) ======================= q-point: (-0.07 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -11.262 18.329 24.329) 32.476 3.158 ( 11.638 6.769 12.491) 18.365 3.504 ( -5.525 8.774 -15.713) 18.826 4.831 ( 5.980 25.795 1.731) 26.536 5.683 ( 12.599 13.454 -9.508) 20.740 5.917 ( 3.957 4.364 -8.285) 10.166 7.127 ( 0.137 0.575 1.626) 1.730 7.620 ( -6.084 7.843 -2.471) 10.230 7.724 ( 4.133 8.438 4.925) 10.609 7.920 ( 4.089 -7.383 4.135) 9.399 8.095 ( 3.997 -8.196 -3.075) 9.623 8.605 ( -2.364 -5.584 -2.723) 6.647 9.255 ( 7.578 -0.349 -5.890) 9.604 9.582 ( -4.905 3.483 6.056) 8.536 10.198 ( -18.682 -13.622 -9.235) 24.897 10.398 ( -6.010 -8.130 11.436) 15.264 56.174 ( 0.297 0.408 -0.001) 0.505 56.518 ( 0.306 0.257 -0.057) 0.403 ======================= Grid point 536 (250/424) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.984 ( 22.164 -0.000 -17.968) 28.532 2.986 ( 20.799 -0.000 14.988) 25.637 3.229 ( 9.012 -0.000 -14.721) 17.260 3.575 ( 41.973 -0.000 -10.063) 43.162 6.397 ( -21.428 0.000 5.972) 22.245 6.557 ( -2.688 0.000 8.102) 8.536 6.892 ( -8.385 0.000 -1.417) 8.504 7.115 ( 3.660 -0.000 11.321) 11.898 7.156 ( -3.741 0.000 -1.132) 3.909 7.365 ( -1.135 0.000 1.253) 1.691 8.054 ( 4.429 -0.000 -2.709) 5.192 8.416 ( 1.822 -0.000 0.372) 1.860 8.563 ( -8.991 0.000 4.363) 9.994 8.975 ( -5.988 0.000 -1.748) 6.238 9.583 ( -5.209 0.000 4.958) 7.191 10.395 ( -8.960 0.000 -22.878) 24.570 56.228 ( 1.043 -0.000 0.076) 1.046 56.565 ( 0.787 -0.000 -0.143) 0.800 ======================= Grid point 537 (251/424) ======================= q-point: ( 0.40 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 17.670 10.402 1.728) 20.577 3.459 ( 20.087 -21.009 -8.376) 30.249 3.531 ( 12.518 -20.868 -0.535) 24.340 3.975 ( 40.423 -4.265 -9.897) 41.835 6.023 ( -28.918 8.778 -2.746) 30.345 6.455 ( -3.302 12.557 11.544) 17.374 6.862 ( -10.316 -5.172 -2.906) 11.900 7.131 ( -6.326 -3.062 1.819) 7.260 7.263 ( 2.799 -6.598 2.097) 7.468 7.421 ( 2.916 -3.951 9.267) 10.488 8.068 ( 1.305 1.389 0.017) 1.906 8.449 ( 2.752 -2.134 -1.220) 3.690 8.557 ( -6.030 -3.812 6.906) 9.929 8.949 ( -0.873 -2.604 -5.773) 6.393 9.578 ( -1.164 -0.988 4.065) 4.342 10.205 ( -9.008 4.549 -18.500) 21.073 56.236 ( 0.886 0.142 0.058) 0.899 56.570 ( 0.633 0.134 -0.210) 0.680 ======================= Grid point 538 (252/424) ======================= q-point: ( 0.47 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 16.299 4.620 8.859) 19.117 3.985 ( 7.091 -27.462 -11.440) 30.583 4.115 ( 28.314 -18.914 -1.105) 34.068 4.454 ( 30.413 -16.043 -4.187) 34.639 5.605 ( -21.332 10.666 -0.160) 23.851 6.162 ( -11.150 14.700 7.007) 19.737 6.847 ( -11.743 -5.768 -3.470) 13.535 7.146 ( -6.216 -5.319 0.947) 8.236 7.367 ( 1.839 -2.778 -1.351) 3.595 7.571 ( -0.804 -6.878 8.933) 11.303 8.043 ( 1.357 3.034 5.728) 6.622 8.530 ( 2.268 -2.770 -7.005) 7.866 8.584 ( -3.682 -4.312 8.451) 10.177 9.031 ( 2.786 -6.982 -5.921) 9.569 9.605 ( 0.564 -0.783 3.840) 3.960 9.980 ( -7.846 6.283 -12.604) 16.121 56.240 ( 0.670 0.300 0.037) 0.735 56.571 ( 0.433 0.271 -0.254) 0.570 ======================= Grid point 539 (253/424) ======================= q-point: ( 0.53 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( 14.371 1.115 14.427) 20.394 4.473 ( 10.026 -19.113 -4.553) 22.058 4.644 ( 26.859 -14.844 -10.638) 32.480 5.070 ( 12.440 -25.078 -1.868) 28.056 5.255 ( -11.568 9.600 0.817) 15.055 5.815 ( -13.019 10.605 5.534) 17.680 6.827 ( -13.038 -6.788 -4.046) 15.246 7.214 ( -2.552 -6.640 1.842) 7.348 7.399 ( 0.664 -0.608 -3.496) 3.610 7.657 ( -7.014 -4.208 8.164) 11.557 8.032 ( 4.077 3.745 9.295) 10.818 8.526 ( -1.580 -1.246 -6.639) 6.937 8.720 ( 3.791 -6.900 1.762) 8.068 9.183 ( 1.445 -8.828 -3.736) 9.694 9.629 ( 0.443 -0.018 3.965) 3.989 9.776 ( -6.131 5.968 -7.299) 11.246 56.238 ( 0.429 0.445 0.021) 0.619 56.567 ( 0.228 0.384 -0.263) 0.518 ======================= Grid point 540 (254/424) ======================= q-point: ( 0.60 0.33 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 11.048 0.730 17.272) 20.516 4.674 ( 0.491 8.204 -6.033) 10.196 4.959 ( -0.034 -6.590 3.826) 7.620 5.214 ( -15.720 5.322 -4.804) 17.277 5.261 ( 22.698 -14.404 -5.008) 27.345 5.894 ( 6.184 -18.436 -2.459) 19.601 6.844 ( -13.294 -11.594 -3.597) 18.003 7.327 ( 2.980 -3.552 0.922) 4.728 7.404 ( 1.556 -1.128 0.945) 2.142 7.659 ( -10.984 -4.345 8.230) 14.396 8.028 ( 5.052 4.539 7.975) 10.476 8.522 ( 0.748 -0.788 -8.474) 8.544 8.879 ( 3.778 -6.533 -1.277) 7.654 9.328 ( -2.863 -8.246 -1.244) 8.817 9.619 ( -0.299 4.325 -0.358) 4.350 9.647 ( -2.446 -0.716 1.312) 2.867 56.232 ( 0.202 0.556 0.011) 0.591 56.561 ( 0.062 0.454 -0.237) 0.516 ======================= Grid point 541 (255/424) ======================= q-point: (-0.33 -0.67 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.384 ( 5.674 3.081 17.724) 18.863 4.323 ( -10.431 18.539 -6.036) 22.112 4.825 ( -15.569 10.735 3.966) 19.323 5.218 ( 7.854 -7.268 -3.387) 11.224 5.730 ( 16.982 -12.444 -0.299) 21.055 6.169 ( 1.856 -11.509 -12.998) 17.460 6.979 ( -10.032 -15.302 -2.533) 18.472 7.349 ( 3.285 1.042 -5.215) 6.251 7.496 ( 0.577 -2.159 13.414) 13.599 7.728 ( -3.150 -10.633 6.176) 12.693 8.015 ( 5.024 4.316 5.431) 8.565 8.497 ( -0.195 1.632 -9.813) 9.949 9.002 ( 3.516 -4.340 -5.652) 7.946 9.377 ( -7.592 -4.153 2.670) 9.056 9.601 ( -3.835 -3.309 1.234) 5.214 9.687 ( 5.395 -2.005 3.196) 6.583 56.223 ( 0.022 0.617 0.005) 0.618 56.552 ( -0.035 0.473 -0.191) 0.512 ======================= Grid point 542 (256/424) ======================= q-point: (-0.27 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.368 ( -1.209 6.981 17.569) 18.944 3.866 ( -10.852 18.251 -7.663) 22.574 4.516 ( -11.847 10.561 4.818) 16.586 5.382 ( 8.873 -2.548 -2.201) 9.490 5.875 ( 2.476 2.906 -6.929) 7.911 6.405 ( 3.268 -14.038 -9.563) 17.298 7.102 ( -2.454 -5.054 1.931) 5.941 7.371 ( 3.788 -2.627 -5.428) 7.122 7.570 ( -3.667 -4.440 11.157) 12.556 7.934 ( 7.218 -2.307 10.759) 13.160 8.035 ( 3.655 -4.176 0.697) 5.593 8.391 ( -4.397 4.574 -11.282) 12.944 9.073 ( 5.087 -2.572 -10.022) 11.530 9.434 ( -4.152 -7.579 6.593) 10.870 9.619 ( -10.620 -5.768 4.145) 12.776 9.820 ( 8.198 -3.510 2.657) 9.305 56.212 ( -0.080 0.626 0.000) 0.631 56.543 ( -0.052 0.450 -0.140) 0.474 ======================= Grid point 543 (257/424) ======================= q-point: (-0.20 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( -6.927 10.751 17.925) 22.020 3.472 ( -6.493 13.789 -6.138) 16.431 4.251 ( -7.311 10.899 3.150) 13.497 5.452 ( 8.676 3.824 0.068) 9.482 5.784 ( -0.912 2.728 -12.685) 13.007 6.513 ( -5.683 -1.170 -8.740) 10.490 7.167 ( 5.093 -0.394 5.264) 7.335 7.495 ( 5.669 -6.803 -3.137) 9.395 7.651 ( 1.210 -4.019 6.746) 7.945 7.979 ( 6.947 5.179 11.660) 14.527 8.188 ( -6.810 1.454 -10.924) 12.955 8.232 ( 2.979 -3.777 0.808) 4.878 9.150 ( 7.226 -2.782 -11.282) 13.684 9.579 ( -0.936 -8.407 6.360) 10.583 9.631 ( -15.795 -8.193 4.078) 18.255 9.965 ( 5.929 -4.461 4.136) 8.494 56.200 ( -0.084 0.583 -0.006) 0.589 56.534 ( 0.002 0.396 -0.096) 0.407 ======================= Grid point 544 (258/424) ======================= q-point: (-0.13 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( -8.133 14.259 16.946) 23.592 3.258 ( 1.990 6.149 -1.912) 6.740 3.994 ( -5.312 12.680 0.524) 13.758 5.417 ( 9.091 9.553 1.679) 13.294 5.722 ( -1.160 -1.202 -13.793) 13.893 6.345 ( -6.508 9.034 -6.602) 12.944 7.216 ( 6.583 2.573 1.164) 7.163 7.661 ( 4.598 -6.151 2.574) 8.100 7.794 ( 4.786 -6.995 -1.042) 8.540 7.962 ( 3.321 8.295 7.873) 11.909 7.991 ( -3.336 5.053 -2.017) 6.382 8.385 ( 2.418 -5.957 -0.493) 6.448 9.227 ( 6.243 -1.608 -8.260) 10.479 9.616 ( -16.283 -5.693 3.477) 17.596 9.724 ( -2.548 -8.336 -0.757) 8.750 10.121 ( 1.581 -7.072 8.737) 11.351 56.190 ( 0.015 0.496 -0.012) 0.496 56.528 ( 0.114 0.324 -0.063) 0.349 ======================= Grid point 545 (259/424) ======================= q-point: (-0.07 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -0.606 16.564 14.045) 21.726 3.272 ( 7.844 -1.914 0.513) 8.090 3.696 ( -3.631 16.102 -1.199) 16.550 5.286 ( 9.557 16.723 2.510) 19.424 5.726 ( -2.522 -5.253 -11.507) 12.898 6.092 ( -1.189 12.563 -4.239) 13.312 7.217 ( 7.078 3.939 -2.286) 8.417 7.690 ( -6.639 6.013 -3.480) 9.610 7.869 ( 3.228 -1.286 1.987) 4.003 7.957 ( 9.848 4.504 10.695) 15.220 7.991 ( 4.373 -6.528 -1.337) 7.970 8.473 ( -1.969 -4.471 -3.119) 5.796 9.276 ( 2.043 -1.055 -2.024) 3.063 9.539 ( -17.461 -2.904 2.289) 17.848 9.818 ( -1.795 -6.759 -10.529) 12.640 10.276 ( -3.973 -7.118 14.515) 16.648 56.183 ( 0.207 0.371 -0.011) 0.425 56.525 ( 0.269 0.237 -0.038) 0.360 ======================= Grid point 552 (260/424) ======================= q-point: ( 0.40 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 0.656 -0.000 -6.317) 6.351 3.398 ( 25.052 -0.000 3.327) 25.272 3.443 ( 19.495 -0.000 6.610) 20.585 4.298 ( 39.566 -0.000 -10.885) 41.036 5.795 ( -29.341 0.000 -4.449) 29.676 6.546 ( -10.852 0.000 5.649) 12.234 6.744 ( -6.048 0.000 -1.586) 6.253 6.998 ( -7.546 0.000 -8.513) 11.376 7.242 ( -1.387 0.000 12.892) 12.966 7.450 ( 4.431 -0.000 9.279) 10.283 8.099 ( 1.454 -0.000 3.333) 3.637 8.431 ( 0.082 -0.000 -1.335) 1.337 8.511 ( -4.166 0.000 10.480) 11.277 8.923 ( 5.718 -0.000 -11.582) 12.917 9.599 ( 4.826 -0.000 1.724) 5.125 10.101 ( -10.252 0.000 -15.153) 18.295 56.245 ( 0.723 -0.000 0.049) 0.724 56.576 ( 0.479 -0.000 -0.279) 0.555 ======================= Grid point 553 (261/424) ======================= q-point: ( 0.47 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 4.914 1.907 6.922) 8.701 3.624 ( 14.298 -12.771 -5.968) 20.079 3.941 ( 18.556 -21.004 9.702) 29.659 4.641 ( 34.628 -2.315 -9.344) 35.942 5.504 ( -22.673 3.171 -2.849) 23.070 6.297 ( -14.760 12.313 -1.071) 19.251 6.702 ( -5.346 -1.313 -1.630) 5.742 6.973 ( -7.501 -6.167 -4.973) 10.910 7.283 ( -4.463 -4.299 5.533) 8.308 7.540 ( 3.359 -1.948 10.677) 11.361 8.121 ( 2.792 1.254 7.961) 8.529 8.451 ( -2.852 -2.578 -1.743) 4.221 8.513 ( -4.444 -3.202 8.826) 10.388 8.984 ( 9.412 -2.200 -12.791) 16.033 9.660 ( 8.219 0.991 0.150) 8.280 9.944 ( -9.331 2.763 -10.109) 14.032 56.249 ( 0.500 0.172 0.036) 0.530 56.577 ( 0.284 0.154 -0.319) 0.454 ======================= Grid point 554 (262/424) ======================= q-point: ( 0.53 0.40 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 7.554 -0.193 16.150) 17.830 4.048 ( 6.266 -24.887 -7.437) 26.720 4.516 ( 13.373 -22.900 2.363) 26.624 4.972 ( 23.767 -5.407 -4.833) 24.848 5.258 ( -13.266 4.119 -0.553) 13.901 5.909 ( -13.969 13.243 -3.913) 19.642 6.667 ( -5.552 -0.968 -1.712) 5.890 7.040 ( -4.691 -9.353 -1.852) 10.626 7.329 ( -3.465 -4.428 -2.371) 6.102 7.607 ( -1.736 -0.280 12.560) 12.683 8.156 ( 4.663 2.145 10.753) 11.915 8.437 ( -5.920 -2.583 -1.195) 6.568 8.618 ( 0.291 -7.844 1.962) 8.091 9.085 ( 6.383 -4.076 -9.853) 12.428 9.697 ( 5.094 2.644 -1.916) 6.051 9.792 ( -3.211 4.231 -4.414) 6.906 56.249 ( 0.254 0.340 0.024) 0.425 56.574 ( 0.088 0.291 -0.317) 0.440 ======================= Grid point 555 (263/424) ======================= q-point: (-0.40 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 7.266 -0.099 20.263) 21.527 4.516 ( -1.727 -24.603 -6.034) 25.391 4.853 ( 0.194 -3.445 -1.932) 3.955 5.088 ( -11.500 1.939 -7.280) 13.748 5.226 ( 7.928 -7.478 -3.196) 11.357 5.737 ( 6.370 -5.057 1.714) 8.312 6.635 ( -4.505 -2.284 -2.301) 5.550 7.213 ( 0.796 -12.566 0.328) 12.596 7.359 ( -1.181 -2.754 -4.991) 5.822 7.585 ( -6.565 2.039 13.162) 14.849 8.178 ( 4.933 4.013 9.910) 11.775 8.449 ( -2.743 -4.034 -4.696) 6.771 8.775 ( 1.306 -8.228 -0.712) 8.362 9.183 ( 0.548 -5.392 -4.809) 7.246 9.621 ( -5.476 2.663 -2.403) 6.547 9.751 ( 10.070 4.930 -1.130) 11.269 56.243 ( 0.021 0.475 0.014) 0.476 56.567 ( -0.067 0.385 -0.277) 0.479 ======================= Grid point 556 (264/424) ======================= q-point: (-0.33 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.540 ( 2.987 2.533 18.458) 18.869 4.536 ( -6.925 14.418 -6.291) 17.188 4.781 ( -22.253 3.907 -3.893) 22.926 5.042 ( 3.181 -16.440 2.073) 16.873 5.553 ( 7.625 -18.176 -8.193) 21.345 5.983 ( 3.837 -8.833 -1.537) 9.752 6.703 ( 1.761 -9.142 -1.246) 9.393 7.377 ( 1.459 -1.002 -1.444) 2.284 7.485 ( -3.719 -13.063 -0.450) 13.589 7.521 ( 1.270 0.048 11.065) 11.137 8.170 ( 5.285 4.793 7.124) 10.082 8.469 ( -1.614 -1.307 -6.411) 6.739 8.912 ( 0.684 -6.700 -3.857) 7.761 9.244 ( -4.835 -4.473 1.071) 6.673 9.539 ( -4.554 0.644 -0.157) 4.602 9.785 ( 12.875 2.624 -0.459) 13.147 56.233 ( -0.160 0.557 0.007) 0.579 56.558 ( -0.154 0.423 -0.215) 0.498 ======================= Grid point 557 (265/424) ======================= q-point: (-0.27 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.508 ( -3.666 5.573 11.885) 13.629 4.101 ( -9.309 19.986 -6.982) 23.127 4.558 ( -10.603 5.634 3.351) 12.466 5.325 ( 2.992 -11.169 1.631) 11.678 5.842 ( -5.346 -8.698 0.877) 10.247 6.096 ( -1.051 -11.258 -14.172) 18.130 6.961 ( 7.954 -12.213 1.395) 14.642 7.412 ( 5.853 1.337 -5.381) 8.062 7.461 ( -8.768 -4.139 11.993) 15.422 7.816 ( 6.508 -13.662 -0.107) 15.133 8.160 ( 6.715 4.738 7.042) 10.823 8.401 ( -3.479 3.887 -9.133) 10.518 9.002 ( -0.456 -5.317 -6.400) 8.333 9.294 ( -4.423 -5.776 6.817) 9.970 9.502 ( -4.730 -1.114 1.643) 5.130 9.893 ( 13.747 0.202 0.489) 13.757 56.221 ( -0.260 0.575 -0.001) 0.631 56.549 ( -0.163 0.407 -0.149) 0.463 ======================= Grid point 558 (266/424) ======================= q-point: (-0.20 -0.60 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( -6.857 7.540 5.116) 11.403 3.686 ( -4.910 16.853 -2.489) 17.730 4.366 ( -5.808 9.048 4.415) 11.623 5.507 ( 3.326 -5.702 1.699) 6.816 5.780 ( -8.047 3.591 0.357) 8.819 6.278 ( -6.679 -13.216 -13.743) 20.203 7.211 ( 8.649 -4.634 3.295) 10.351 7.439 ( 4.256 -3.980 -4.119) 7.136 7.559 ( -1.236 -6.662 7.596) 10.179 8.049 ( -2.141 -7.699 -5.609) 9.763 8.172 ( 7.439 4.541 10.273) 13.471 8.260 ( 0.901 3.493 -8.033) 8.806 9.080 ( 0.566 -6.274 -7.469) 9.771 9.358 ( -10.808 -4.622 8.164) 14.312 9.539 ( 2.617 -5.018 4.495) 7.228 10.010 ( 11.006 0.539 0.965) 11.061 56.208 ( -0.258 0.533 -0.010) 0.592 56.540 ( -0.103 0.353 -0.094) 0.379 ======================= Grid point 559 (267/424) ======================= q-point: (-0.13 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.172 ( -2.670 9.162 2.731) 9.926 3.419 ( 1.112 10.860 1.248) 10.988 4.149 ( -4.947 10.795 2.629) 12.162 5.591 ( -5.115 -2.900 0.843) 5.940 5.654 ( 1.558 5.411 1.677) 5.875 6.313 ( -6.880 -2.642 -11.724) 13.848 7.316 ( 8.562 0.689 -1.016) 8.650 7.591 ( 3.235 -7.527 -4.779) 9.485 7.689 ( 0.478 -6.349 4.985) 8.086 7.959 ( -9.052 2.084 -6.708) 11.458 8.185 ( 6.274 5.303 12.461) 14.926 8.348 ( 7.745 -4.352 -2.957) 9.363 9.186 ( 1.444 -6.717 -9.124) 11.422 9.311 ( -15.552 -3.007 5.911) 16.907 9.709 ( 6.431 -5.205 7.819) 11.383 10.085 ( 5.239 -0.231 2.021) 5.619 56.198 ( -0.152 0.438 -0.018) 0.464 56.534 ( 0.009 0.275 -0.055) 0.281 ======================= Grid point 560 (268/424) ======================= q-point: (-0.07 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.014 ( 7.212 11.944 2.544) 14.183 3.334 ( 5.070 2.765 0.881) 5.842 3.914 ( -2.998 11.969 1.931) 12.489 5.533 ( -13.589 -3.609 1.961) 14.197 5.624 ( 9.957 8.501 2.776) 13.383 6.212 ( -1.934 4.608 -10.519) 11.646 7.343 ( 6.886 3.930 -5.748) 9.793 7.659 ( -2.657 -2.524 -10.108) 10.752 7.835 ( 3.001 -7.149 4.185) 8.811 7.908 ( -3.039 -2.952 3.653) 5.594 8.175 ( 5.614 5.675 10.577) 13.251 8.442 ( 4.274 -0.003 -2.587) 4.996 9.220 ( -17.518 -2.825 3.748) 18.136 9.278 ( 1.153 -5.094 -8.486) 9.965 9.835 ( 7.385 0.897 3.706) 8.311 10.153 ( -2.945 -5.037 7.419) 9.439 56.190 ( 0.045 0.303 -0.021) 0.307 56.531 ( 0.155 0.183 -0.031) 0.242 ======================= Grid point 568 (269/424) ======================= q-point: ( 0.47 0.47 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( -6.702 0.000 -5.228) 8.500 3.798 ( 13.748 -0.000 5.995) 14.998 3.898 ( 19.891 -0.000 15.279) 25.081 4.899 ( 28.434 -0.000 -7.458) 29.395 5.326 ( -17.134 0.000 -3.076) 17.408 6.252 ( -17.605 0.000 -8.440) 19.523 6.655 ( -2.293 0.000 -1.617) 2.806 6.820 ( -5.510 0.000 -8.362) 10.014 7.206 ( -7.822 0.000 10.612) 13.183 7.596 ( 4.944 -0.000 9.545) 10.749 8.184 ( 2.878 -0.000 9.755) 10.171 8.406 ( -1.397 0.000 -2.659) 3.004 8.440 ( -8.727 0.000 10.872) 13.942 9.025 ( 10.101 -0.000 -14.673) 17.813 9.757 ( 7.143 -0.000 -4.366) 8.372 9.872 ( -2.424 0.000 -5.086) 5.634 56.255 ( 0.272 -0.000 0.031) 0.274 56.580 ( 0.095 -0.000 -0.350) 0.363 ======================= Grid point 569 (270/424) ======================= q-point: (-0.47 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.193 ( -9.059 -12.609 0.739) 15.543 3.910 ( 11.415 -2.054 5.716) 12.930 4.270 ( 8.797 -16.287 7.903) 20.128 5.117 ( 17.213 -0.704 -1.887) 17.330 5.188 ( -8.148 0.745 -1.108) 8.257 5.963 ( -13.164 9.300 -13.001) 20.707 6.646 ( 0.296 0.466 -0.928) 1.080 6.815 ( -5.176 -7.366 -6.808) 11.287 7.204 ( -6.287 -4.397 6.759) 10.225 7.657 ( 2.430 1.248 10.290) 10.647 8.239 ( 2.086 -0.777 9.483) 9.741 8.359 ( -4.743 0.759 2.918) 5.620 8.477 ( -2.797 -6.763 3.406) 8.073 9.075 ( 6.385 -1.145 -12.817) 14.365 9.707 ( -6.614 1.558 -3.727) 7.750 9.920 ( 15.333 3.166 -5.002) 16.436 56.255 ( 0.021 0.183 0.025) 0.185 56.577 ( -0.092 0.152 -0.337) 0.381 ======================= Grid point 570 (271/424) ======================= q-point: (-0.40 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.394 ( -7.288 -15.111 10.773) 19.938 4.104 ( -0.830 -12.627 -2.371) 12.875 4.614 ( -1.627 -16.730 -4.554) 17.415 5.140 ( -8.550 3.326 -5.755) 10.830 5.156 ( 3.155 2.169 9.039) 9.816 5.769 ( 5.958 1.165 -6.685) 9.030 6.624 ( 1.895 1.950 -1.212) 2.978 6.954 ( -1.626 -13.621 -5.624) 14.825 7.265 ( -3.048 -5.314 3.123) 6.876 7.641 ( -1.692 4.073 11.946) 12.735 8.314 ( 3.928 -1.018 8.667) 9.570 8.321 ( -3.767 -1.013 -0.804) 3.983 8.614 ( -1.251 -9.348 1.342) 9.527 9.113 ( 1.758 -2.300 -8.226) 8.720 9.606 ( -5.740 2.152 -1.224) 6.251 9.973 ( 17.138 6.128 -6.864) 19.452 56.249 ( -0.214 0.342 0.019) 0.404 56.571 ( -0.237 0.269 -0.284) 0.457 ======================= Grid point 571 (272/424) ======================= q-point: (-0.33 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( -5.711 -5.504 13.601) 15.744 4.313 ( -13.308 -20.656 -8.687) 26.062 4.649 ( -20.129 3.911 -15.507) 25.708 4.987 ( 7.532 2.288 9.402) 12.262 5.273 ( -2.121 -11.915 -0.664) 12.121 5.904 ( 5.328 -5.658 1.807) 7.979 6.655 ( 7.576 -2.416 -1.857) 8.166 7.197 ( -0.465 -15.223 -6.028) 16.380 7.331 ( -3.468 -3.480 6.371) 8.046 7.596 ( 2.668 2.796 8.121) 8.994 8.300 ( 2.111 1.921 1.132) 3.070 8.397 ( 0.503 -2.891 1.975) 3.537 8.761 ( -1.926 -8.288 -1.497) 8.639 9.142 ( -2.488 -3.105 -1.726) 4.337 9.522 ( -4.008 1.739 -0.264) 4.377 10.008 ( 18.669 6.073 -6.086) 20.554 56.239 ( -0.395 0.448 0.012) 0.598 56.562 ( -0.315 0.329 -0.210) 0.502 ======================= Grid point 572 (273/424) ======================= q-point: (-0.27 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.538 ( -9.764 2.199 1.876) 10.183 4.249 ( -17.682 12.147 -11.877) 24.521 4.505 ( -6.716 -10.358 3.199) 12.752 5.123 ( 2.778 -7.303 8.025) 11.201 5.496 ( -7.883 -17.279 -2.108) 19.109 5.980 ( -2.478 -2.203 -3.313) 4.687 6.863 ( 11.696 -9.792 0.584) 15.265 7.350 ( -6.797 -2.861 10.497) 12.829 7.391 ( -0.009 -7.892 -5.632) 9.695 7.696 ( 9.607 -5.491 -0.325) 11.070 8.303 ( 5.156 1.878 0.311) 5.497 8.405 ( -1.486 2.149 -0.931) 2.774 8.856 ( -3.605 -6.611 -3.378) 8.253 9.179 ( -4.310 -4.573 5.023) 8.045 9.472 ( -1.872 0.415 -0.120) 1.921 10.091 ( 20.089 3.991 -3.271) 20.741 56.227 ( -0.490 0.487 0.003) 0.691 56.553 ( -0.318 0.331 -0.135) 0.479 ======================= Grid point 573 (274/424) ======================= q-point: (-0.20 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( -10.577 3.252 -7.089) 13.142 3.879 ( -8.377 12.096 -7.006) 16.296 4.513 ( -1.169 7.137 10.184) 12.491 5.330 ( -4.692 -13.432 4.801) 15.016 5.638 ( -15.935 -9.502 6.601) 19.692 6.006 ( 0.616 -6.711 -13.506) 15.094 7.156 ( 7.725 -11.023 2.660) 13.720 7.371 ( -2.901 -2.728 3.507) 5.306 7.509 ( 4.759 -4.957 -0.135) 6.873 7.876 ( 1.331 -7.105 -5.594) 9.140 8.289 ( -0.179 2.366 -10.195) 10.467 8.345 ( 5.613 4.459 8.923) 11.446 8.927 ( -3.887 -6.736 -2.560) 8.188 9.234 ( -6.727 -4.000 8.205) 11.339 9.500 ( 3.428 -3.611 0.967) 5.072 10.201 ( 18.856 4.496 -1.076) 19.415 56.213 ( -0.481 0.454 -0.008) 0.661 56.544 ( -0.257 0.285 -0.076) 0.391 ======================= Grid point 574 (275/424) ======================= q-point: (-0.13 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -5.038 1.705 -7.288) 9.022 3.631 ( 1.590 10.511 -4.818) 11.671 4.332 ( -2.792 12.710 7.349) 14.945 5.422 ( -16.426 -4.211 9.954) 19.663 5.684 ( -3.838 -7.587 4.574) 9.655 6.116 ( -0.126 -7.843 -13.731) 15.814 7.381 ( 5.491 -5.609 1.664) 8.024 7.423 ( 0.193 -5.427 -5.059) 7.422 7.653 ( 5.852 -4.388 3.891) 8.285 7.862 ( -9.393 0.204 -7.897) 12.273 8.310 ( 5.072 -3.862 -6.227) 8.911 8.350 ( 3.838 2.926 10.413) 11.477 9.002 ( -5.329 -6.793 -1.909) 8.843 9.231 ( -5.148 -0.937 5.130) 7.328 9.661 ( 5.172 -7.642 5.363) 10.673 10.257 ( 15.069 7.457 -0.321) 16.817 56.202 ( -0.365 0.359 -0.019) 0.512 56.538 ( -0.148 0.208 -0.040) 0.258 ======================= Grid point 575 (276/424) ======================= q-point: (-0.07 -0.53 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 4.318 0.647 -4.306) 6.133 3.502 ( 9.217 8.663 -4.876) 13.556 4.098 ( -2.620 11.742 4.177) 12.735 5.324 ( -20.939 -3.197 12.276) 24.482 5.790 ( 3.358 -1.523 4.002) 5.442 6.175 ( 1.184 -2.511 -12.015) 12.332 7.428 ( -3.335 1.596 -7.865) 8.691 7.526 ( 6.897 -5.432 -9.915) 13.243 7.777 ( 1.271 -4.203 2.760) 5.186 7.811 ( -3.149 -4.209 4.070) 6.648 8.309 ( 0.528 3.515 6.811) 7.683 8.450 ( 2.192 -3.905 0.186) 4.482 9.029 ( -7.991 -3.475 0.473) 8.727 9.234 ( -0.049 -1.718 -0.214) 1.732 9.856 ( 2.587 -7.108 8.318) 11.243 10.219 ( 9.316 9.419 -0.230) 13.250 56.194 ( -0.160 0.220 -0.025) 0.273 56.534 ( -0.010 0.112 -0.023) 0.115 ======================= Grid point 584 (277/424) ======================= q-point: (-0.47 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( -14.146 0.000 -1.430) 14.218 4.010 ( 5.788 -0.000 2.342) 6.244 4.190 ( 0.961 -0.000 6.777) 6.844 5.128 ( -6.805 0.000 -2.857) 7.380 5.248 ( 9.860 -0.000 8.759) 13.188 5.902 ( -5.974 0.000 -18.342) 19.290 6.631 ( 0.452 -0.000 -2.749) 2.786 6.726 ( 0.470 -0.000 -4.545) 4.569 7.119 ( -7.056 0.000 10.004) 12.242 7.732 ( 3.909 -0.000 7.336) 8.312 8.233 ( -4.685 0.000 8.468) 9.678 8.354 ( -2.240 0.000 -2.888) 3.655 8.413 ( 0.985 -0.000 11.208) 11.252 9.076 ( 3.642 -0.000 -12.221) 12.752 9.649 ( -6.530 0.000 -1.281) 6.655 10.098 ( 19.427 -0.000 -9.596) 21.668 56.255 ( -0.233 0.000 0.026) 0.235 56.576 ( -0.269 0.000 -0.313) 0.413 ======================= Grid point 585 (278/424) ======================= q-point: (-0.40 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -16.320 -17.500 2.415) 24.050 4.010 ( -3.525 1.223 -1.690) 4.096 4.306 ( -3.888 -13.147 -4.735) 14.504 4.990 ( -19.284 0.012 -9.166) 21.351 5.347 ( 9.207 4.148 18.987) 21.505 5.829 ( 6.031 1.638 -10.010) 11.801 6.702 ( 5.625 1.923 -0.552) 5.970 6.720 ( -0.734 -8.033 -5.064) 9.524 7.144 ( -4.074 -5.618 7.271) 10.051 7.746 ( 1.701 3.765 7.628) 8.675 8.209 ( -4.692 -1.476 1.708) 5.207 8.387 ( 0.791 -3.402 2.577) 4.340 8.481 ( 1.353 -3.464 7.719) 8.568 9.076 ( 1.313 -0.786 -9.089) 9.217 9.581 ( -5.371 1.086 0.290) 5.488 10.218 ( 20.368 3.997 -12.694) 24.330 56.251 ( -0.468 0.174 0.026) 0.500 56.571 ( -0.407 0.130 -0.251) 0.495 ======================= Grid point 586 (279/424) ======================= q-point: (-0.33 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -15.712 -24.848 8.063) 30.485 3.917 ( -13.377 -4.117 -13.505) 19.450 4.427 ( -12.913 -5.113 -15.085) 20.505 4.840 ( -14.433 -11.578 -5.132) 19.202 5.363 ( 7.261 8.969 19.244) 22.439 5.887 ( 3.724 -1.888 2.471) 4.852 6.709 ( 7.205 0.569 -1.499) 7.381 6.926 ( 0.901 -13.217 -2.970) 13.577 7.247 ( -0.777 -5.404 5.191) 7.533 7.709 ( 3.510 3.932 7.010) 8.771 8.222 ( -2.973 -4.356 -3.920) 6.572 8.448 ( 2.803 -0.147 5.451) 6.131 8.606 ( 0.093 -7.058 2.799) 7.593 9.078 ( -0.873 -1.316 -3.965) 4.268 9.514 ( -4.122 1.436 0.671) 4.417 10.285 ( 21.480 5.952 -12.653) 25.630 56.241 ( -0.646 0.305 0.023) 0.715 56.563 ( -0.479 0.213 -0.170) 0.551 ======================= Grid point 587 (280/424) ======================= q-point: (-0.27 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( -17.373 -6.128 -0.927) 18.445 3.990 ( -14.243 -25.972 -9.514) 31.112 4.192 ( -15.595 4.395 -17.880) 24.129 5.071 ( -9.176 -21.198 -0.812) 23.113 5.294 ( 3.921 10.335 19.706) 22.594 5.913 ( -5.130 -0.684 2.204) 5.625 6.829 ( 8.766 -5.198 0.280) 10.195 7.153 ( -1.846 -13.138 -0.132) 13.268 7.322 ( 1.734 -1.355 4.192) 4.734 7.752 ( 9.193 -0.365 0.446) 9.211 8.274 ( -0.250 -4.133 -5.791) 7.120 8.471 ( 1.053 1.429 3.635) 4.046 8.719 ( -0.141 -5.151 0.925) 5.235 9.086 ( -3.383 -2.506 2.210) 4.755 9.466 ( -1.862 0.581 0.058) 1.952 10.365 ( 23.383 5.024 -9.071) 25.579 56.228 ( -0.736 0.368 0.016) 0.823 56.554 ( -0.481 0.238 -0.094) 0.545 ======================= Grid point 588 (281/424) ======================= q-point: (-0.20 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -18.159 -1.186 -12.803) 22.250 3.925 ( -6.273 5.772 -17.185) 19.183 4.387 ( -8.759 -23.886 3.698) 25.709 5.160 ( -10.336 -0.263 8.879) 13.629 5.339 ( -7.244 -8.973 13.730) 17.930 5.875 ( -5.625 -4.036 -5.925) 9.112 7.020 ( 2.820 -9.171 1.643) 9.735 7.346 ( 2.097 -6.006 5.725) 8.558 7.394 ( 3.615 -5.865 -1.676) 7.091 7.849 ( 7.531 -0.732 -4.926) 9.029 8.279 ( -1.281 0.908 -9.656) 9.783 8.465 ( 1.818 1.079 4.478) 4.952 8.797 ( -0.347 -3.628 1.890) 4.106 9.124 ( -4.766 -4.518 6.544) 9.271 9.477 ( 2.356 -2.280 -0.344) 3.297 10.486 ( 23.645 5.032 -4.631) 24.614 56.215 ( -0.719 0.354 0.004) 0.801 56.545 ( -0.422 0.208 -0.040) 0.472 ======================= Grid point 589 (282/424) ======================= q-point: (-0.13 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -11.807 -4.697 -11.046) 16.837 3.767 ( 4.269 5.410 -17.456) 18.766 4.516 ( -5.237 4.669 7.829) 10.513 5.177 ( -17.948 -9.586 13.118) 24.210 5.394 ( -13.277 -10.393 9.249) 19.231 5.967 ( 1.708 -9.566 -9.929) 13.893 7.202 ( -1.930 -10.038 1.040) 10.275 7.442 ( 7.399 -1.273 0.093) 7.509 7.580 ( 2.411 -9.256 1.841) 9.741 7.829 ( -1.422 4.527 -7.015) 8.470 8.257 ( 3.118 -2.652 -9.154) 10.028 8.456 ( -0.875 3.267 7.093) 7.858 8.863 ( -1.618 -4.524 2.090) 5.239 9.174 ( -2.742 -2.941 5.095) 6.491 9.594 ( 4.725 -6.244 1.958) 8.072 10.576 ( 21.024 8.393 -1.706) 22.702 56.203 ( -0.593 0.268 -0.010) 0.650 56.538 ( -0.319 0.139 -0.013) 0.348 ======================= Grid point 590 (283/424) ======================= q-point: (-0.07 -0.47 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -2.820 -7.608 -4.613) 9.333 3.709 ( 13.485 5.057 -18.169) 23.185 4.307 ( -3.543 12.730 4.554) 13.976 5.096 ( -25.766 -2.877 19.773) 32.606 5.593 ( -8.014 -16.461 2.818) 18.524 6.126 ( 6.222 -6.379 -8.903) 12.596 7.301 ( -5.244 -3.999 -4.571) 8.024 7.561 ( 8.879 -3.852 -1.913) 9.866 7.669 ( -5.287 -0.759 -5.774) 7.865 7.792 ( 5.509 -3.484 4.936) 8.176 8.333 ( 0.971 -3.241 -5.792) 6.708 8.389 ( -5.690 1.305 8.218) 10.080 8.931 ( -1.145 -3.761 1.996) 4.409 9.208 ( 0.136 -1.363 1.937) 2.372 9.763 ( 2.490 -7.094 4.318) 8.670 10.559 ( 16.204 13.253 -0.220) 20.935 56.195 ( -0.379 0.131 -0.021) 0.401 56.534 ( -0.190 0.045 -0.009) 0.195 ======================= Grid point 600 (284/424) ======================= q-point: (-0.40 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -20.365 0.000 2.987) 20.583 4.036 ( -3.061 0.000 -2.204) 3.771 4.040 ( -12.016 0.000 -13.831) 18.322 4.732 ( -26.633 0.000 -15.595) 30.863 5.546 ( 8.718 -0.000 26.371) 27.775 5.875 ( 5.225 -0.000 -4.093) 6.637 6.638 ( 2.290 -0.000 -1.750) 2.882 6.795 ( 7.790 -0.000 -1.279) 7.895 7.069 ( -2.743 0.000 7.080) 7.593 7.812 ( 1.162 -0.000 2.420) 2.684 8.201 ( -1.116 0.000 5.349) 5.464 8.301 ( -1.856 0.000 -0.835) 2.035 8.519 ( 2.734 -0.000 8.105) 8.554 9.060 ( 1.898 -0.000 -7.515) 7.751 9.544 ( -5.083 0.000 1.472) 5.292 10.408 ( 21.299 -0.000 -17.211) 27.384 56.247 ( -0.700 0.000 0.034) 0.701 56.567 ( -0.538 0.000 -0.184) 0.569 ======================= Grid point 601 (285/424) ======================= q-point: (-0.33 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -21.134 -20.996 6.144) 30.418 3.753 ( -17.249 5.309 -18.473) 25.826 4.150 ( -7.295 -11.336 -12.264) 18.224 4.460 ( -24.480 -5.422 -15.214) 29.328 5.614 ( 0.903 5.801 23.982) 24.690 5.917 ( 1.645 0.473 9.929) 10.075 6.725 ( 3.239 -6.106 -0.846) 6.964 6.837 ( 8.046 1.956 0.591) 8.301 7.162 ( 3.987 -6.934 2.639) 8.423 7.805 ( 1.004 1.530 1.484) 2.356 8.165 ( 0.637 1.526 -0.120) 1.658 8.386 ( -0.882 -6.475 0.583) 6.560 8.576 ( 3.225 -1.728 6.479) 7.441 9.063 ( 2.132 0.241 -3.767) 4.335 9.496 ( -4.526 0.689 1.771) 4.908 10.529 ( 22.147 3.156 -18.674) 29.141 56.238 ( -0.874 0.147 0.039) 0.887 56.560 ( -0.608 0.097 -0.104) 0.624 ======================= Grid point 602 (286/424) ======================= q-point: (-0.27 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -20.598 -26.832 7.688) 34.689 3.469 ( -22.204 -6.144 -23.738) 33.080 4.066 ( -9.697 1.615 -23.233) 25.227 4.542 ( -15.179 -23.372 -5.962) 28.499 5.535 ( -5.290 7.252 24.226) 25.835 5.893 ( -7.463 3.703 12.782) 15.258 6.857 ( 8.702 -1.207 -0.775) 8.819 6.947 ( 2.563 -9.219 2.398) 9.865 7.336 ( 8.649 -4.187 0.212) 9.612 7.816 ( 3.780 -0.608 -0.431) 3.853 8.195 ( 3.160 -3.041 -2.805) 5.205 8.439 ( -4.141 -2.244 -1.594) 4.972 8.691 ( 6.198 -3.862 5.519) 9.153 9.059 ( -0.221 1.087 1.275) 1.690 9.455 ( -2.352 0.289 0.719) 2.476 10.633 ( 24.056 3.519 -15.764) 28.976 56.226 ( -0.961 0.235 0.037) 0.990 56.552 ( -0.612 0.144 -0.034) 0.630 ======================= Grid point 603 (287/424) ======================= q-point: (-0.20 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.925 ( -25.609 -5.006 -13.473) 29.366 3.693 ( -12.743 -35.115 -4.136) 37.584 3.909 ( -2.137 0.607 -22.625) 22.734 4.787 ( -17.981 -20.674 -2.778) 27.540 5.431 ( -5.475 6.213 25.133) 26.462 5.738 ( -16.469 2.206 7.185) 18.103 6.948 ( 6.157 -2.470 -2.923) 7.249 7.183 ( 4.388 -11.726 3.357) 12.963 7.457 ( 9.571 0.286 1.747) 9.733 7.884 ( 4.915 -1.965 -4.063) 6.673 8.260 ( 2.342 -0.192 -7.979) 8.318 8.414 ( -5.658 -3.292 -0.742) 6.588 8.834 ( 8.962 -0.451 7.243) 11.532 9.038 ( -3.866 -1.458 4.656) 6.225 9.460 ( 1.636 -1.584 -0.594) 2.353 10.774 ( 25.367 3.252 -10.119) 27.503 56.212 ( -0.940 0.244 0.026) 0.971 56.543 ( -0.559 0.137 0.009) 0.576 ======================= Grid point 604 (288/424) ======================= q-point: (-0.13 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -18.850 -9.501 -13.317) 24.959 3.811 ( 6.470 0.953 -26.013) 26.823 4.231 ( -9.092 -28.927 2.758) 30.447 4.862 ( -22.414 -9.917 7.779) 25.715 5.304 ( -10.287 7.911 18.602) 22.681 5.695 ( -11.863 -13.993 0.019) 18.345 7.053 ( 3.311 -5.442 -3.869) 7.452 7.441 ( 5.821 -10.627 3.099) 12.506 7.528 ( 8.450 1.671 2.442) 8.953 7.881 ( -1.433 3.846 -6.901) 8.029 8.234 ( 2.782 -0.708 -8.175) 8.665 8.451 ( -3.376 -2.610 1.121) 4.412 8.861 ( 0.847 2.897 8.019) 8.568 9.115 ( 2.779 -4.560 3.742) 6.521 9.542 ( 4.193 -4.567 0.194) 6.203 10.909 ( 23.623 6.059 -5.184) 24.933 56.200 ( -0.808 0.173 0.008) 0.826 56.537 ( -0.466 0.083 0.020) 0.474 ======================= Grid point 605 (289/424) ======================= q-point: (-0.07 -0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -8.400 -14.753 -5.853) 17.957 3.817 ( 12.258 0.354 -24.329) 27.245 4.417 ( -5.938 0.332 -1.478) 6.128 4.833 ( -27.127 -6.495 21.023) 34.929 5.231 ( -9.649 -11.345 7.029) 16.469 5.920 ( -3.226 -17.540 -4.132) 18.306 7.165 ( -1.476 -6.266 -1.621) 6.638 7.570 ( 4.156 1.840 1.143) 4.687 7.648 ( 6.088 -3.244 -4.262) 8.109 7.784 ( 0.450 -1.606 -0.207) 1.680 8.282 ( 2.517 -2.078 -4.018) 5.177 8.399 ( -5.964 3.681 2.973) 7.613 8.873 ( -0.904 -2.685 3.909) 4.828 9.213 ( 5.031 -1.075 2.228) 5.607 9.682 ( 3.262 -6.120 1.990) 7.215 10.947 ( 18.645 11.644 -2.103) 22.083 56.192 ( -0.586 0.043 -0.008) 0.588 56.532 ( -0.347 -0.004 0.008) 0.347 ======================= Grid point 616 (290/424) ======================= q-point: (-0.33 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -24.663 0.000 7.781) 25.861 3.578 ( -26.245 0.000 -28.810) 38.972 3.883 ( -10.100 0.000 -6.204) 11.853 4.158 ( -17.407 0.000 -22.815) 28.698 5.662 ( -14.549 0.000 21.666) 26.098 5.998 ( 1.690 -0.000 23.897) 23.957 6.705 ( 4.806 -0.000 1.410) 5.009 6.980 ( 11.830 -0.000 -0.277) 11.833 7.135 ( 8.055 -0.000 -0.082) 8.055 7.793 ( -2.603 0.000 -3.846) 4.644 8.266 ( 5.731 -0.000 -0.935) 5.807 8.283 ( -0.695 0.000 2.590) 2.682 8.605 ( 4.248 -0.000 4.425) 6.134 9.093 ( 3.905 -0.000 -0.409) 3.927 9.465 ( -4.202 0.000 1.999) 4.653 10.706 ( 22.412 -0.000 -22.321) 31.632 56.230 ( -1.044 0.000 0.054) 1.046 56.554 ( -0.679 0.000 -0.030) 0.680 ======================= Grid point 617 (291/424) ======================= q-point: (-0.27 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -23.323 -24.831 10.342) 35.602 3.138 ( -32.471 3.889 -29.490) 44.036 3.915 ( -6.179 -8.613 -20.970) 23.496 4.005 ( -14.403 -10.123 -15.400) 23.390 5.524 ( -24.653 0.788 24.581) 34.823 6.002 ( -4.309 7.296 24.625) 26.043 6.823 ( 6.069 -6.504 3.271) 9.478 7.025 ( 12.217 4.885 -1.499) 13.243 7.326 ( 12.155 -7.470 -1.591) 14.355 7.774 ( -2.930 -2.786 -5.021) 6.446 8.237 ( 5.224 2.222 0.112) 5.678 8.356 ( -2.100 -2.324 -2.785) 4.191 8.712 ( 10.375 -3.140 3.772) 11.477 9.112 ( 1.652 2.176 5.472) 6.116 9.439 ( -1.280 -0.069 0.307) 1.318 10.845 ( 23.662 1.039 -21.545) 32.018 56.219 ( -1.129 0.106 0.062) 1.136 56.547 ( -0.688 0.062 0.028) 0.691 ======================= Grid point 618 (292/424) ======================= q-point: (-0.20 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -28.035 -13.311 -4.467) 31.355 2.912 ( -21.338 -29.081 -12.195) 38.076 3.851 ( 3.027 0.264 -30.352) 30.504 4.186 ( -17.951 -24.520 -8.277) 31.495 5.350 ( -29.005 -2.872 25.655) 38.829 5.804 ( -11.182 13.194 19.682) 26.201 7.013 ( 8.369 -2.288 -2.500) 9.029 7.087 ( 11.090 -3.700 1.292) 11.762 7.545 ( 12.019 -3.124 0.973) 12.456 7.819 ( -1.015 -6.003 -4.570) 7.612 8.280 ( 5.169 0.527 -7.324) 8.980 8.307 ( -6.843 -0.829 -1.071) 6.975 8.912 ( 13.959 -4.632 2.742) 14.960 9.067 ( -2.316 5.201 11.464) 12.800 9.456 ( 3.432 -0.904 -1.400) 3.815 11.009 ( 25.389 0.453 -16.366) 30.210 56.206 ( -1.111 0.140 0.055) 1.121 56.540 ( -0.644 0.078 0.054) 0.651 ======================= Grid point 619 (293/424) ======================= q-point: (-0.13 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -25.251 -11.466 -14.599) 31.340 3.472 ( -9.806 -41.103 1.816) 42.296 3.827 ( 7.170 -1.816 -26.480) 27.494 4.393 ( -20.363 -19.992 -4.849) 28.946 5.275 ( -27.563 -12.981 18.751) 35.774 5.476 ( -13.194 15.168 15.848) 25.599 7.068 ( 9.410 1.252 -8.543) 12.771 7.337 ( 9.366 -9.920 4.478) 14.359 7.657 ( 9.280 1.615 3.091) 9.914 7.878 ( -2.153 -0.469 -6.713) 7.065 8.191 ( -5.825 -1.550 -4.277) 7.391 8.381 ( 4.618 -3.480 -4.610) 7.395 8.952 ( -6.812 4.886 9.990) 13.041 9.139 ( 15.590 -2.052 5.420) 16.633 9.522 ( 5.431 -2.182 -0.928) 5.926 11.191 ( 24.593 2.375 -10.305) 26.771 56.194 ( -0.982 0.088 0.035) 0.986 56.533 ( -0.562 0.047 0.046) 0.566 ======================= Grid point 620 (294/424) ======================= q-point: (-0.07 -0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -13.369 -20.069 -6.526) 24.982 3.815 ( 5.363 -3.408 -20.719) 21.672 4.096 ( -7.062 -27.735 2.020) 28.691 4.477 ( -18.362 -12.084 2.099) 22.082 5.141 ( -14.321 6.959 7.755) 17.710 5.448 ( -16.071 -22.507 9.857) 29.360 7.106 ( 4.733 -0.261 -6.372) 7.942 7.613 ( 10.248 -8.919 2.293) 13.778 7.700 ( 7.265 4.408 3.183) 9.074 7.759 ( -4.522 2.895 -8.070) 9.693 8.222 ( -4.317 -4.725 2.539) 6.885 8.442 ( 5.324 1.520 -6.027) 8.184 8.845 ( -6.354 1.595 7.633) 10.058 9.298 ( 12.509 0.768 3.855) 13.112 9.627 ( 4.425 -4.145 0.478) 6.082 11.292 ( 19.530 8.037 -5.983) 21.951 56.185 ( -0.757 -0.033 0.012) 0.757 56.528 ( -0.455 -0.026 0.014) 0.456 ======================= Grid point 632 (295/424) ======================= q-point: (-0.27 -0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -26.454 0.000 12.942) 29.450 2.747 ( -40.356 0.000 -32.431) 51.772 3.605 ( -14.239 0.000 -8.898) 16.790 3.861 ( 0.939 -0.000 -31.283) 31.297 5.309 ( -35.802 0.000 28.302) 45.637 6.115 ( -6.026 0.000 26.515) 27.191 6.828 ( 6.408 -0.000 3.872) 7.487 7.220 ( 13.115 -0.000 0.234) 13.117 7.344 ( 14.217 -0.000 -3.478) 14.636 7.684 ( -5.043 0.000 -7.523) 9.057 8.291 ( -0.759 0.000 3.740) 3.816 8.321 ( 1.562 -0.000 -8.289) 8.435 8.823 ( 17.066 -0.000 0.156) 17.067 9.168 ( -0.777 0.000 13.739) 13.760 9.444 ( 3.759 -0.000 -1.562) 4.071 11.006 ( 23.612 -0.000 -23.984) 33.657 56.209 ( -1.213 0.000 0.081) 1.216 56.541 ( -0.704 0.000 0.070) 0.708 ======================= Grid point 633 (296/424) ======================= q-point: (-0.20 -0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -22.885 -27.383 13.421) 38.127 2.277 ( -38.381 -5.094 -28.521) 48.088 3.606 ( -16.416 -17.528 -10.237) 26.106 3.809 ( 7.202 -0.167 -32.923) 33.702 5.045 ( -40.415 -2.283 29.454) 50.061 5.993 ( -10.784 11.662 20.790) 26.163 6.974 ( 7.105 -6.701 4.512) 10.758 7.265 ( 14.208 5.701 -2.975) 15.596 7.569 ( 12.843 -7.449 1.341) 14.907 7.661 ( -4.774 -5.332 -7.047) 10.044 8.258 ( -5.727 2.736 -3.396) 7.199 8.308 ( 3.050 -0.640 -4.515) 5.486 8.977 ( 9.514 -0.990 -3.613) 10.225 9.194 ( 4.738 2.236 17.451) 18.221 9.506 ( 9.981 0.380 0.412) 9.997 11.178 ( 24.688 -1.509 -21.301) 32.642 56.197 ( -1.200 0.057 0.083) 1.204 56.535 ( -0.671 0.032 0.076) 0.676 ======================= Grid point 634 (297/424) ======================= q-point: (-0.13 -0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -30.559 -9.931 -14.187) 35.125 2.583 ( -13.076 -47.012 6.127) 49.180 3.747 ( -15.013 -12.428 -7.874) 21.020 3.852 ( 6.281 -11.703 -31.370) 34.066 4.832 ( -38.284 -8.144 25.059) 46.475 5.677 ( -12.945 15.681 14.677) 25.077 7.147 ( 7.585 -2.110 -2.333) 8.211 7.338 ( 13.788 -1.514 0.364) 13.876 7.723 ( 0.445 -5.212 -4.277) 6.757 7.791 ( 5.586 -5.112 1.354) 7.692 8.103 ( -9.547 3.209 -3.909) 10.803 8.368 ( 5.519 -3.036 -5.169) 8.149 8.969 ( -5.620 2.501 5.005) 7.930 9.313 ( 14.614 0.118 5.851) 15.742 9.604 ( 13.619 2.518 4.650) 14.610 11.394 ( 24.662 -1.476 -15.713) 29.279 56.186 ( -1.084 0.032 0.065) 1.086 56.528 ( -0.602 0.025 0.046) 0.604 ======================= Grid point 635 (298/424) ======================= q-point: (-0.07 -0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -16.860 -22.083 -4.735) 28.184 3.350 ( -5.421 -44.114 5.967) 44.844 3.724 ( -17.828 -4.939 2.136) 18.623 4.095 ( 4.120 -17.508 -27.924) 33.215 4.793 ( -28.495 -17.191 12.496) 35.548 5.334 ( -11.143 12.432 11.287) 20.152 7.180 ( 6.655 3.255 -5.861) 9.446 7.560 ( 10.063 -8.048 3.514) 13.356 7.750 ( -1.967 1.828 -10.125) 10.475 7.838 ( 5.973 1.938 1.771) 6.524 8.061 ( -6.581 -6.782 3.244) 9.992 8.476 ( 7.718 -3.253 -6.520) 10.614 8.856 ( -7.633 4.625 7.416) 11.604 9.454 ( 11.097 -0.537 2.628) 11.417 9.686 ( 13.098 4.196 5.437) 14.789 11.557 ( 19.713 3.675 -11.003) 22.873 56.177 ( -0.865 -0.080 0.036) 0.870 56.523 ( -0.507 -0.027 -0.005) 0.508 ======================= Grid point 648 (299/424) ======================= q-point: (-0.20 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -24.824 0.000 18.307) 30.845 1.775 ( -42.597 0.000 -25.870) 49.838 3.263 ( -15.647 0.000 -10.445) 18.814 3.796 ( 9.712 -0.000 -31.392) 32.860 4.707 ( -43.053 0.000 28.654) 51.717 6.055 ( -13.259 0.000 16.680) 21.308 6.985 ( 7.294 -0.000 5.461) 9.112 7.459 ( 10.410 -0.000 0.883) 10.447 7.535 ( -4.256 0.000 -9.225) 10.160 7.605 ( 12.590 -0.000 2.963) 12.934 8.250 ( -2.387 0.000 -10.774) 11.035 8.286 ( -1.908 0.000 2.929) 3.496 9.007 ( -0.586 0.000 -0.124) 0.599 9.315 ( 10.141 -0.000 3.452) 10.712 9.670 ( 19.243 -0.000 11.203) 22.267 11.326 ( 24.336 -0.000 -22.181) 32.928 56.187 ( -1.190 0.000 0.098) 1.194 56.529 ( -0.650 0.000 0.062) 0.653 ======================= Grid point 649 (300/424) ======================= q-point: (-0.13 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -33.051 -5.533 -10.029) 34.980 1.659 ( -16.969 -41.603 13.122) 46.807 3.233 ( -16.469 -15.406 -9.970) 24.657 3.794 ( 1.349 -1.042 -17.875) 17.956 4.439 ( -31.677 -4.160 15.722) 35.608 5.839 ( -14.309 11.984 9.873) 21.115 7.139 ( 7.711 -5.825 4.353) 10.599 7.499 ( 4.483 1.420 -4.862) 6.764 7.525 ( 1.884 -4.392 -3.259) 5.785 7.791 ( 6.417 -5.085 4.178) 9.192 8.116 ( -5.294 6.358 -2.898) 8.766 8.327 ( 0.853 -4.095 -2.442) 4.844 8.973 ( -3.609 1.631 2.833) 4.869 9.408 ( 8.934 -0.842 -5.133) 10.338 9.888 ( 23.376 3.956 16.473) 28.870 11.527 ( 24.166 -3.116 -18.946) 30.865 56.176 ( -1.087 0.008 0.087) 1.090 56.523 ( -0.595 0.009 0.010) 0.595 ======================= Grid point 650 (301/424) ======================= q-point: (-0.07 -0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -16.067 -19.402 3.671) 25.457 2.459 ( -5.924 -51.782 11.596) 53.394 3.340 ( -22.521 -14.822 1.714) 27.015 3.777 ( -15.356 -11.377 -1.972) 19.213 4.391 ( -4.710 -8.417 -8.951) 13.159 5.492 ( -11.989 14.013 4.782) 19.052 7.270 ( 5.757 0.350 -0.231) 5.773 7.564 ( 7.316 -2.197 1.383) 7.763 7.649 ( -0.026 -9.801 -8.818) 13.184 7.833 ( -3.257 -0.146 -3.603) 4.860 8.025 ( 1.967 2.216 8.824) 9.308 8.430 ( 3.133 -6.096 -2.582) 7.324 8.902 ( -2.396 4.174 2.484) 5.416 9.489 ( 5.801 -2.138 -5.173) 8.061 10.030 ( 21.190 9.442 15.938) 28.146 11.732 ( 19.481 -0.305 -15.420) 24.847 56.167 ( -0.887 -0.080 0.058) 0.892 56.518 ( -0.511 -0.020 -0.059) 0.515 ======================= Grid point 664 (302/424) ======================= q-point: (-0.13 -0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -21.916 0.000 9.900) 24.048 1.094 ( -18.632 0.000 22.750) 29.406 2.915 ( -14.045 0.000 -11.223) 17.978 3.645 ( -32.981 0.000 19.928) 38.534 4.252 ( 2.372 -0.000 -18.112) 18.266 5.831 ( -15.172 0.000 1.976) 15.300 7.159 ( 7.350 -0.000 6.179) 9.602 7.366 ( -5.929 0.000 -7.084) 9.238 7.674 ( 9.866 -0.000 -1.111) 9.928 7.784 ( 1.707 -0.000 5.554) 5.810 8.155 ( -2.470 0.000 0.279) 2.486 8.250 ( -3.315 0.000 1.524) 3.649 8.974 ( -0.449 0.000 0.709) 0.840 9.450 ( 6.329 -0.000 -8.830) 10.864 10.212 ( 24.638 -0.000 20.161) 31.835 11.664 ( 23.210 -0.000 -18.077) 29.418 56.166 ( -0.990 0.000 0.081) 0.994 56.517 ( -0.553 0.000 -0.061) 0.557 ======================= Grid point 665 (303/424) ======================= q-point: (-0.07 -0.13 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -4.481 -8.448 25.444) 27.182 1.565 ( -3.143 -45.737 21.883) 50.800 2.893 ( -13.789 -13.371 -7.103) 20.479 3.363 ( -47.060 -5.640 34.281) 58.495 4.326 ( 19.447 -2.816 -31.441) 37.076 5.595 ( -12.399 9.533 -4.378) 16.242 7.304 ( 5.646 -2.082 2.928) 6.692 7.368 ( -3.489 -11.309 -5.574) 13.082 7.691 ( 5.129 4.566 1.390) 7.006 7.807 ( -0.741 -0.270 -2.623) 2.739 8.115 ( 1.281 2.351 10.501) 10.837 8.314 ( -0.815 -7.639 0.988) 7.745 8.965 ( 2.726 2.394 -1.630) 3.977 9.483 ( 3.606 -1.259 -8.274) 9.113 10.433 ( 20.750 6.546 20.207) 29.694 11.843 ( 18.536 -1.538 -16.457) 24.835 56.158 ( -0.808 -0.042 0.062) 0.812 56.512 ( -0.477 -0.014 -0.138) 0.497 ======================= Grid point 680 (304/424) ======================= q-point: (-0.07 -0.07 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -9.247 0.000 24.065) 25.780 1.303 ( 24.290 -0.000 51.122) 56.599 2.631 ( -8.335 0.000 -11.649) 14.324 2.936 ( -55.016 0.000 46.088) 71.770 4.418 ( 22.798 -0.000 -33.626) 40.626 5.544 ( -10.172 0.000 -14.758) 17.924 7.204 ( -5.218 0.000 -4.501) 6.891 7.350 ( 6.969 -0.000 4.961) 8.554 7.760 ( -3.958 0.000 1.737) 4.323 7.822 ( 6.519 -0.000 -1.758) 6.752 8.181 ( -4.403 0.000 0.391) 4.420 8.224 ( 7.410 -0.000 14.582) 16.357 9.018 ( 5.007 -0.000 -4.124) 6.487 9.469 ( 1.071 -0.000 -8.495) 8.562 10.730 ( 15.766 -0.000 21.510) 26.670 11.945 ( 14.149 -0.000 -14.408) 20.193 56.151 ( -0.632 0.000 0.045) 0.634 56.508 ( -0.389 0.000 -0.206) 0.440 ======================= Grid point 681 (305/424) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -0.631 0.000 13.719) 13.734 2.239 ( 0.825 -0.000 -10.119) 10.153 2.882 ( -14.209 0.000 38.813) 41.332 3.444 ( 4.379 -0.000 31.702) 32.003 3.965 ( 4.603 -0.000 -15.422) 16.094 4.644 ( 4.505 -0.000 -39.553) 39.809 7.050 ( -1.577 0.000 -0.944) 1.838 7.561 ( 2.072 -0.000 1.624) 2.632 7.789 ( -2.758 0.000 3.046) 4.109 7.854 ( 0.946 -0.000 -1.184) 1.515 8.105 ( -1.549 0.000 0.078) 1.551 8.603 ( 10.925 -0.000 -1.817) 11.076 8.955 ( -0.701 0.000 -2.320) 2.424 9.341 ( -0.920 0.000 -1.340) 1.626 11.394 ( -1.042 0.000 17.687) 17.718 11.726 ( -0.779 0.000 -13.425) 13.447 56.145 ( -0.035 0.000 0.022) 0.041 56.498 ( -0.004 0.000 -0.106) 0.106 ======================= Grid point 682 (306/424) ======================= q-point: ( 0.07 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 3.094 -29.545 12.362) 32.176 2.237 ( 1.146 -1.084 -5.052) 5.292 2.824 ( -32.559 -9.611 36.717) 50.006 3.554 ( 0.130 0.858 -9.883) 9.921 4.102 ( 13.894 -10.868 15.563) 23.523 4.728 ( 27.136 -3.790 -36.712) 45.809 7.084 ( -0.951 -4.774 0.492) 4.892 7.564 ( -2.853 0.604 1.198) 3.153 7.805 ( -2.139 -0.265 1.536) 2.646 7.832 ( -3.632 -2.444 -1.126) 4.520 8.144 ( 1.979 -4.450 0.907) 4.954 8.708 ( 10.989 -0.014 -10.456) 15.168 8.925 ( 1.675 1.805 -0.902) 2.623 9.352 ( -2.095 -3.042 0.090) 3.695 11.330 ( -8.846 6.611 17.324) 20.545 11.551 ( -10.941 9.355 -12.346) 18.964 56.147 ( 0.255 -0.108 0.042) 0.280 56.500 ( 0.234 -0.045 -0.065) 0.247 ======================= Grid point 683 (307/424) ======================= q-point: ( 0.13 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -10.268 -7.211 3.819) 13.116 2.406 ( 1.300 -31.133 19.850) 36.946 2.895 ( -16.260 -17.141 15.956) 28.510 3.483 ( -5.223 -5.831 -18.117) 19.736 4.583 ( 21.768 -15.268 16.408) 31.243 5.019 ( 32.980 -6.555 -31.151) 45.837 7.183 ( -1.167 -6.400 2.237) 6.880 7.488 ( -7.704 2.958 3.164) 8.838 7.698 ( -1.220 5.929 -1.382) 6.209 7.927 ( -5.146 -9.569 -1.892) 11.028 8.258 ( 2.174 -3.521 -0.124) 4.140 8.681 ( -4.060 1.957 -8.568) 9.681 8.983 ( 15.973 0.959 -6.655) 17.330 9.406 ( -2.736 -5.335 1.351) 6.146 11.098 ( -17.498 14.119 -1.086) 22.510 11.184 ( -14.086 9.837 8.264) 19.065 56.154 ( 0.468 -0.194 0.046) 0.508 56.504 ( 0.414 -0.094 -0.014) 0.425 ======================= Grid point 684 (308/424) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -16.307 -15.493 10.769) 24.939 2.785 ( -12.580 -13.303 16.732) 24.803 3.217 ( 9.146 -14.838 1.821) 17.525 3.728 ( 4.349 -28.402 -5.790) 29.311 5.072 ( 17.124 -14.341 6.659) 23.307 5.360 ( 31.537 -6.322 -28.540) 43.001 7.263 ( -3.604 -2.305 5.612) 7.057 7.336 ( -9.888 3.420 -0.838) 10.497 7.661 ( 2.845 -2.014 2.691) 4.403 8.026 ( -3.903 -6.641 -2.040) 7.969 8.242 ( -2.577 3.985 -3.465) 5.876 8.597 ( -5.136 0.064 -5.722) 7.690 9.098 ( 16.963 1.473 -10.433) 19.969 9.489 ( -3.027 -6.277 2.350) 7.354 10.551 ( -24.383 19.129 -10.647) 32.769 11.001 ( -12.122 4.705 20.921) 24.632 56.162 ( 0.568 -0.239 0.039) 0.618 56.510 ( 0.511 -0.133 0.018) 0.529 ======================= Grid point 685 (309/424) ======================= q-point: ( 0.27 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -14.234 -19.147 17.013) 29.302 2.902 ( -8.831 -11.274 -1.739) 14.426 3.523 ( 14.228 -5.754 13.014) 20.122 4.382 ( 11.033 -33.932 -2.521) 35.770 5.402 ( 11.377 -6.838 -7.488) 15.241 5.655 ( 20.947 -6.012 -17.255) 27.797 7.199 ( -5.662 -0.892 4.563) 7.326 7.294 ( -2.805 -2.267 -2.540) 4.411 7.806 ( 3.212 -7.618 4.938) 9.629 8.031 ( -1.645 3.157 -3.040) 4.682 8.168 ( -0.159 -1.053 -1.157) 1.573 8.511 ( -6.786 2.125 -5.272) 8.852 9.182 ( 14.479 2.474 -11.609) 18.722 9.572 ( -4.336 -5.252 3.174) 7.514 9.966 ( -24.383 15.926 -8.859) 30.441 10.878 ( -11.751 4.072 21.163) 24.547 56.172 ( 0.560 -0.239 0.026) 0.610 56.518 ( 0.520 -0.143 0.018) 0.540 ======================= Grid point 686 (310/424) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.824 ( -8.802 -16.095 20.843) 27.766 3.037 ( -2.531 -11.985 -8.863) 15.119 3.765 ( 12.734 -2.675 13.776) 18.950 5.037 ( 14.061 -26.441 -1.657) 29.993 5.499 ( 9.509 1.856 -15.398) 18.193 5.846 ( 1.982 -6.674 -3.122) 7.630 7.233 ( 1.441 0.439 5.254) 5.466 7.379 ( 1.876 -11.594 -7.358) 13.859 7.861 ( -1.864 2.072 -4.273) 5.102 8.059 ( 2.138 -7.155 1.223) 7.567 8.205 ( 4.254 2.091 4.044) 6.231 8.379 ( -7.251 1.893 -4.478) 8.730 9.208 ( 11.440 5.199 -14.072) 18.866 9.411 ( -22.915 6.910 0.720) 23.945 9.731 ( -1.611 -4.436 1.036) 4.832 10.730 ( -12.162 6.743 18.113) 22.836 56.181 ( 0.462 -0.198 0.011) 0.503 56.525 ( 0.447 -0.123 0.002) 0.463 ======================= Grid point 687 (311/424) ======================= q-point: ( 0.40 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( -0.198 -9.378 13.935) 16.798 3.211 ( -0.922 -10.875 -5.930) 12.421 3.933 ( 8.553 -1.274 9.755) 13.036 5.460 ( 6.203 1.713 -9.838) 11.755 5.572 ( 10.658 -16.352 2.321) 19.656 5.936 ( -3.599 -5.800 -2.479) 7.262 7.227 ( -0.394 1.436 0.549) 1.587 7.536 ( 4.442 -0.214 -6.279) 7.694 7.845 ( -1.221 -4.028 -5.831) 7.191 8.111 ( -4.669 4.553 2.616) 7.027 8.212 ( 1.381 -4.685 0.085) 4.885 8.373 ( 2.501 -4.106 -0.495) 4.833 9.077 ( -5.599 4.067 -5.994) 9.155 9.263 ( -1.100 1.134 -0.420) 1.634 9.847 ( 2.621 -7.093 1.373) 7.686 10.508 ( -12.288 10.189 13.501) 20.907 56.188 ( 0.300 -0.129 -0.002) 0.326 56.530 ( 0.306 -0.077 -0.011) 0.316 ======================= Grid point 688 (312/424) ======================= q-point: ( 0.47 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( 7.110 -2.938 3.956) 8.651 3.338 ( -0.397 -5.642 -4.229) 7.062 4.036 ( 3.359 -2.092 4.288) 5.835 5.412 ( -4.813 1.757 2.336) 5.632 5.900 ( 4.121 -6.457 5.333) 9.333 5.976 ( 2.214 -3.262 -6.724) 7.795 7.170 ( -3.668 1.845 -3.873) 5.644 7.505 ( 5.609 3.748 -5.254) 8.550 7.843 ( -3.634 0.802 -1.887) 4.173 8.011 ( -1.630 2.958 2.700) 4.325 8.285 ( -0.801 -2.965 -0.484) 3.109 8.504 ( 1.161 -4.818 1.546) 5.192 9.010 ( -1.221 0.233 -0.467) 1.328 9.239 ( 0.772 1.251 -0.885) 1.716 10.049 ( 7.127 -10.596 -0.361) 12.775 10.239 ( -10.034 10.572 7.979) 16.617 56.191 ( 0.101 -0.047 -0.010) 0.112 56.533 ( 0.121 -0.017 -0.012) 0.122 ======================= Grid point 689 (313/424) ======================= q-point: (-0.47 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.270 ( 3.377 5.929 2.393) 7.230 3.406 ( 9.210 -0.617 -12.936) 15.892 4.101 ( -2.220 -4.234 -1.962) 5.168 5.315 ( -13.729 1.752 11.610) 18.066 5.833 ( -7.526 8.332 5.168) 12.361 6.068 ( 6.577 1.415 -8.455) 10.805 7.142 ( -0.606 -3.436 -1.039) 3.641 7.502 ( 2.900 0.484 -4.944) 5.752 7.779 ( 0.430 4.333 3.436) 5.546 8.006 ( 3.018 -0.635 3.053) 4.340 8.296 ( -1.257 0.573 -1.415) 1.978 8.481 ( -6.999 4.510 3.869) 9.182 8.998 ( 0.012 1.087 0.343) 1.140 9.236 ( 1.773 0.051 -0.201) 1.785 10.000 ( -5.378 8.340 4.202) 10.777 10.374 ( 11.420 -14.885 -4.600) 19.317 56.191 ( -0.109 0.037 -0.011) 0.116 56.533 ( -0.078 0.043 -0.006) 0.090 ======================= Grid point 690 (314/424) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( 0.830 14.662 3.664) 15.136 3.438 ( 15.123 4.538 -22.142) 27.195 4.121 ( -6.800 -4.026 -8.645) 11.713 5.160 ( -21.388 2.313 19.194) 28.831 5.538 ( -9.325 16.136 4.508) 19.174 6.001 ( 3.162 7.750 -7.639) 11.332 7.245 ( 1.273 -5.058 1.956) 5.570 7.468 ( -2.340 4.191 -2.328) 5.335 7.720 ( 3.210 4.290 4.685) 7.117 8.080 ( 7.793 2.571 5.679) 9.980 8.224 ( -2.262 1.475 -1.873) 3.286 8.361 ( -7.271 0.180 1.705) 7.470 8.969 ( -2.911 0.960 3.165) 4.406 9.278 ( 6.706 -0.875 -0.554) 6.785 9.853 ( -1.227 6.094 1.140) 6.320 10.737 ( 12.899 -14.372 -8.392) 21.057 56.188 ( -0.308 0.116 -0.011) 0.329 56.530 ( -0.258 0.092 -0.004) 0.274 ======================= Grid point 691 (315/424) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.802 ( 0.420 22.226 7.069) 23.327 3.416 ( 17.619 6.735 -28.056) 33.807 4.043 ( -8.611 1.603 -13.720) 16.277 4.854 ( -25.295 16.390 17.582) 34.894 5.237 ( -8.096 7.182 8.514) 13.770 5.798 ( -6.371 13.797 1.095) 15.237 7.217 ( -1.655 8.646 7.340) 11.462 7.400 ( 1.881 -2.277 -10.116) 10.538 7.767 ( 4.259 -3.344 3.829) 6.632 8.011 ( 2.548 8.789 5.347) 10.599 8.288 ( -7.144 -0.818 -1.848) 7.424 8.326 ( 8.015 -2.851 0.224) 8.510 8.941 ( -9.001 -2.162 9.491) 13.258 9.422 ( 15.349 -4.376 0.655) 15.974 9.756 ( 1.604 5.147 -0.245) 5.397 11.053 ( 12.389 -10.874 -12.860) 20.907 56.181 ( -0.472 0.183 -0.012) 0.506 56.525 ( -0.394 0.121 -0.020) 0.412 ======================= Grid point 692 (316/424) ======================= q-point: (-0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 2.030 25.141 13.288) 28.509 3.389 ( 19.058 6.228 -29.533) 35.696 3.819 ( -6.532 10.502 -16.039) 20.253 4.247 ( -18.925 31.406 10.872) 38.246 5.115 ( -16.789 2.639 16.828) 23.917 5.410 ( -17.418 14.781 8.051) 24.222 7.163 ( 5.760 0.287 2.995) 6.499 7.439 ( 3.564 -2.096 -11.080) 11.826 7.830 ( 1.586 6.523 1.937) 6.987 7.952 ( 3.130 -2.631 4.322) 5.950 8.172 ( -2.632 5.842 -0.518) 6.428 8.462 ( 8.458 -1.784 -1.024) 8.705 8.920 ( -13.382 -3.788 12.089) 18.428 9.599 ( 4.762 3.595 0.620) 5.999 9.836 ( 18.948 -10.161 5.147) 22.108 11.277 ( 11.173 -6.972 -17.291) 21.735 56.173 ( -0.576 0.224 -0.013) 0.618 56.519 ( -0.470 0.129 -0.057) 0.491 ======================= Grid point 693 (317/424) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 5.779 20.939 21.794) 30.771 3.368 ( 4.511 7.130 -13.962) 16.313 3.421 ( -0.197 31.984 -17.965) 36.685 3.574 ( 0.963 23.182 -0.330) 23.204 4.740 ( -32.526 15.539 27.088) 45.090 5.191 ( -13.795 -1.457 -2.665) 14.125 7.279 ( 5.907 -3.510 1.484) 7.029 7.473 ( 6.427 0.080 -10.811) 12.577 7.690 ( -3.236 5.281 -0.169) 6.196 7.978 ( 4.791 8.222 2.373) 9.808 8.156 ( 3.170 -4.108 4.912) 7.145 8.527 ( 5.724 1.868 0.693) 6.061 8.896 ( -11.574 -3.890 8.437) 14.841 9.528 ( 2.000 5.808 -1.510) 6.325 10.320 ( 21.526 -16.674 12.285) 29.871 11.423 ( 10.067 -4.745 -19.763) 22.681 56.163 ( -0.595 0.223 -0.012) 0.635 56.512 ( -0.481 0.119 -0.103) 0.506 ======================= Grid point 694 (318/424) ======================= q-point: (-0.13 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 6.547 12.892 26.868) 30.512 2.654 ( -7.106 36.180 -1.843) 36.917 3.117 ( 4.620 21.924 10.772) 24.860 3.484 ( 15.202 3.371 -22.549) 27.403 4.268 ( -27.964 11.840 24.015) 38.716 5.049 ( -16.474 -0.850 -16.609) 23.409 7.269 ( -1.377 5.974 -5.448) 8.202 7.525 ( 6.802 0.484 -0.968) 6.888 7.671 ( 0.893 -4.600 1.563) 4.939 7.886 ( 6.992 8.047 1.636) 10.785 8.234 ( -0.439 0.383 2.477) 2.544 8.529 ( 2.351 2.209 5.785) 6.624 8.900 ( -4.483 -3.637 1.505) 5.966 9.442 ( 1.448 4.892 -2.370) 5.625 10.837 ( 17.009 -15.292 16.008) 27.918 11.544 ( 9.236 -5.319 -18.409) 21.271 56.154 ( -0.510 0.178 -0.009) 0.540 56.505 ( -0.411 0.092 -0.133) 0.442 ======================= Grid point 695 (319/424) ======================= q-point: (-0.07 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( -3.100 26.077 17.732) 31.687 2.262 ( 0.271 3.030 -3.361) 4.534 2.893 ( 13.655 17.392 28.921) 36.406 3.459 ( -9.619 1.523 12.060) 15.501 3.999 ( -0.734 5.806 -2.220) 6.259 4.825 ( -14.107 0.979 -31.308) 34.354 7.124 ( -2.348 5.246 -3.394) 6.675 7.545 ( 3.777 2.141 2.786) 5.159 7.788 ( 2.323 -3.150 2.159) 4.470 7.840 ( 3.993 3.243 -0.656) 5.186 8.162 ( -3.383 3.487 -0.857) 4.933 8.542 ( 3.508 1.285 6.093) 7.147 8.939 ( 0.315 -2.447 -2.356) 3.411 9.375 ( 0.437 2.863 -2.327) 3.715 11.229 ( 8.783 -8.844 17.638) 21.598 11.675 ( 6.632 -5.600 -15.150) 17.461 56.148 ( -0.316 0.101 0.000) 0.331 56.500 ( -0.244 0.049 -0.130) 0.281 ======================= Grid point 697 (320/424) ======================= q-point: ( 0.07 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 8.406 -0.000 8.304) 11.816 2.287 ( 9.027 -0.000 -7.023) 11.437 2.499 ( -36.740 0.000 41.797) 55.649 3.378 ( -17.479 0.000 -36.170) 40.172 4.313 ( 29.186 -0.000 36.104) 46.426 4.904 ( 36.698 -0.000 -34.578) 50.421 7.042 ( 0.197 -0.000 2.503) 2.510 7.536 ( -4.013 0.000 -2.865) 4.931 7.730 ( -3.449 0.000 4.013) 5.292 7.824 ( -3.043 0.000 -2.159) 3.731 8.129 ( 3.020 -0.000 2.536) 3.943 8.720 ( -3.518 0.000 -11.675) 12.194 8.996 ( 12.712 -0.000 -4.251) 13.404 9.299 ( -3.327 0.000 0.980) 3.469 11.302 ( -18.622 0.000 16.994) 25.211 11.472 ( -17.190 0.000 -12.861) 21.468 56.150 ( 0.534 -0.000 0.071) 0.539 56.503 ( 0.468 -0.000 -0.034) 0.469 ======================= Grid point 698 (321/424) ======================= q-point: ( 0.13 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 6.551 -23.795 6.166) 25.439 2.195 ( -9.066 0.939 13.886) 16.611 2.543 ( -8.942 -12.544 16.058) 22.252 3.179 ( -13.382 -8.872 -33.944) 37.550 4.738 ( 30.307 -3.871 29.176) 42.246 5.194 ( 38.314 -2.500 -29.703) 48.544 7.096 ( 0.866 -4.149 4.361) 6.082 7.479 ( -5.757 1.353 -1.687) 6.150 7.730 ( -4.714 -2.815 -0.170) 5.493 7.762 ( -2.569 2.254 -1.327) 3.666 8.215 ( 3.631 -4.004 1.756) 5.684 8.600 ( -12.368 0.298 -8.656) 15.099 9.117 ( 14.763 -0.346 -8.934) 17.259 9.299 ( -3.551 -3.237 2.066) 5.230 11.111 ( -22.399 4.722 13.030) 26.340 11.158 ( -22.993 8.244 -8.895) 25.996 56.157 ( 0.739 -0.068 0.085) 0.747 56.508 ( 0.632 -0.020 0.005) 0.633 ======================= Grid point 699 (322/424) ======================= q-point: ( 0.20 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -11.206 -7.063 4.035) 13.847 2.525 ( -3.737 -12.442 14.304) 19.323 2.857 ( 7.759 -30.989 4.455) 32.255 3.314 ( 1.981 -20.041 -18.366) 27.256 5.144 ( 25.217 -3.991 18.218) 31.364 5.518 ( 35.712 -2.961 -26.964) 44.846 7.208 ( 1.383 -4.729 5.959) 7.732 7.334 ( -9.593 6.528 0.314) 11.608 7.674 ( -1.150 0.816 -1.283) 1.907 7.812 ( -4.316 -8.695 -2.293) 9.974 8.252 ( -3.966 1.535 -2.312) 4.841 8.493 ( -8.485 -2.889 -6.054) 10.817 9.221 ( 10.564 -0.773 -9.774) 14.413 9.353 ( -3.042 -5.272 2.974) 6.774 10.636 ( -22.489 18.055 -13.481) 31.834 10.927 ( -23.767 -0.182 20.075) 31.111 56.166 ( 0.835 -0.095 0.076) 0.844 56.515 ( 0.709 -0.031 0.026) 0.710 ======================= Grid point 700 (323/424) ======================= q-point: ( 0.27 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -3.873 -15.994 0.357) 16.460 2.656 ( -5.741 -8.861 8.913) 13.817 3.504 ( 15.508 -17.981 9.531) 25.587 3.824 ( 10.312 -37.140 -8.679) 39.510 5.435 ( 17.177 -1.984 6.432) 18.449 5.779 ( 26.021 -0.023 -21.779) 33.933 7.133 ( -8.676 2.091 -2.872) 9.375 7.301 ( 3.274 -0.097 7.728) 8.394 7.714 ( -0.388 -5.504 0.204) 5.521 7.927 ( -4.796 -8.345 -2.139) 9.860 8.145 ( -4.608 1.331 -3.110) 5.716 8.447 ( -6.595 -0.194 -6.012) 8.926 9.284 ( 5.698 -0.413 -7.364) 9.320 9.436 ( -3.356 -6.186 3.414) 7.822 10.050 ( -19.360 20.027 -13.960) 31.157 10.799 ( -21.391 -2.033 21.952) 30.718 56.176 ( 0.827 -0.083 0.057) 0.833 56.522 ( 0.698 -0.030 0.015) 0.699 ======================= Grid point 701 (324/424) ======================= q-point: ( 0.33 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 1.966 -19.866 -0.308) 19.965 2.817 ( 0.349 -9.576 6.606) 11.638 3.880 ( 16.063 -6.386 10.513) 20.232 4.606 ( 14.136 -36.279 -2.660) 39.027 5.578 ( 11.530 0.934 -6.456) 13.247 5.843 ( 4.968 3.993 -6.365) 9.007 7.170 ( 4.102 -10.600 -7.311) 13.514 7.329 ( 4.819 3.267 6.489) 8.718 7.801 ( -4.777 -5.043 -2.274) 7.309 7.943 ( -5.775 -3.490 -5.565) 8.747 8.202 ( 2.756 -6.384 3.465) 7.769 8.333 ( -8.004 2.946 -5.186) 9.982 9.283 ( -8.289 0.574 1.572) 8.456 9.443 ( -0.868 9.944 -7.492) 12.481 9.629 ( -5.168 -0.065 -7.070) 8.757 10.692 ( -19.761 -0.180 20.063) 28.161 56.185 ( 0.729 -0.037 0.037) 0.731 56.529 ( 0.608 -0.006 -0.015) 0.608 ======================= Grid point 702 (325/424) ======================= q-point: ( 0.40 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 4.444 -18.366 -3.272) 19.177 3.029 ( 7.016 -8.198 5.659) 12.184 4.098 ( 14.667 1.703 11.033) 18.433 5.297 ( 14.162 -26.742 -1.353) 30.290 5.565 ( 3.079 6.437 -6.009) 9.329 5.811 ( -3.160 -3.300 -0.476) 4.594 7.305 ( 2.386 4.218 3.287) 5.856 7.467 ( 11.263 -12.442 -7.022) 18.192 7.770 ( -4.296 0.243 -7.026) 8.239 7.966 ( -9.268 -6.396 -5.274) 12.435 8.206 ( -6.203 0.069 -3.260) 7.008 8.335 ( 2.301 -2.772 6.503) 7.434 9.067 ( -11.745 4.931 1.794) 12.864 9.335 ( 7.561 4.781 -8.411) 12.279 9.717 ( -0.889 -8.674 -0.226) 8.723 10.531 ( -18.508 3.906 15.810) 24.653 56.191 ( 0.566 0.038 0.019) 0.567 56.533 ( 0.453 0.038 -0.041) 0.456 ======================= Grid point 703 (326/424) ======================= q-point: ( 0.47 0.07 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( 0.348 -12.276 -5.308) 13.379 3.276 ( 17.881 -5.477 0.568) 18.710 4.166 ( 10.025 6.516 8.057) 14.418 5.432 ( -6.919 5.448 5.608) 10.440 5.782 ( 7.491 -14.335 2.133) 16.315 5.884 ( 2.146 -6.799 -6.659) 9.755 7.224 ( -0.187 6.318 0.831) 6.376 7.625 ( 6.721 4.722 -8.997) 12.182 7.755 ( -2.240 -6.428 -3.640) 7.719 7.938 ( -9.902 -3.553 -3.605) 11.121 8.232 ( -1.323 -5.468 -0.047) 5.626 8.404 ( -1.232 -4.123 5.814) 7.233 8.992 ( -1.078 -0.956 0.625) 1.570 9.301 ( 4.284 3.493 -3.572) 6.581 9.894 ( 1.843 -11.283 -0.821) 11.462 10.304 ( -15.931 7.061 10.685) 20.441 56.194 ( 0.365 0.124 0.008) 0.385 56.536 ( 0.258 0.096 -0.051) 0.280 ======================= Grid point 704 (327/424) ======================= q-point: (-0.47 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( -0.583 -4.068 -2.285) 4.702 3.522 ( 23.724 -1.003 -11.801) 26.517 4.126 ( 3.643 6.310 2.643) 7.750 5.276 ( -13.832 4.577 13.820) 20.082 5.867 ( -5.720 1.244 4.602) 7.446 6.075 ( 7.405 -5.264 -9.317) 13.013 7.140 ( 1.802 2.464 2.199) 3.762 7.544 ( 0.791 3.450 -8.191) 8.923 7.833 ( 4.797 -0.777 -0.986) 4.958 7.927 ( -6.142 -5.356 0.309) 8.155 8.292 ( -0.795 -1.894 1.596) 2.601 8.455 ( -7.050 -1.385 4.855) 8.671 9.007 ( -0.032 -0.005 -0.878) 0.879 9.284 ( 4.851 1.937 -0.895) 5.299 10.060 ( -10.479 4.355 4.852) 12.341 10.172 ( 4.375 -13.760 -2.218) 14.609 56.194 ( 0.153 0.208 0.003) 0.259 56.535 ( 0.055 0.155 -0.047) 0.171 ======================= Grid point 705 (328/424) ======================= q-point: (-0.40 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( -1.078 3.975 -0.387) 4.137 3.671 ( 25.968 5.732 -21.146) 33.976 4.046 ( -1.775 3.207 -3.667) 5.185 5.082 ( -19.664 4.896 20.080) 28.528 5.696 ( -9.515 10.428 3.297) 14.496 6.118 ( 4.921 3.298 -7.847) 9.832 7.203 ( 5.240 -3.374 4.150) 7.487 7.489 ( -0.464 1.024 -4.864) 4.992 7.844 ( 1.768 4.178 2.856) 5.361 8.015 ( -1.720 -7.477 0.409) 7.683 8.305 ( -4.762 -1.169 2.626) 5.562 8.326 ( -4.433 7.414 3.423) 9.292 8.972 ( -3.290 1.849 0.006) 3.774 9.337 ( 9.397 -0.785 0.065) 9.430 9.912 ( -5.375 3.683 1.501) 6.687 10.512 ( 5.734 -18.147 -5.914) 19.929 56.190 ( -0.045 0.284 0.002) 0.288 56.531 ( -0.122 0.203 -0.040) 0.241 ======================= Grid point 706 (329/424) ======================= q-point: (-0.33 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( -1.067 11.907 3.749) 12.529 3.685 ( 22.779 11.211 -23.496) 34.593 3.961 ( -3.358 1.167 -12.521) 13.016 4.840 ( -24.407 7.054 23.458) 34.579 5.402 ( -6.558 12.857 2.097) 14.585 6.006 ( 1.099 11.924 -3.296) 12.420 7.312 ( 4.207 -0.982 2.634) 5.060 7.434 ( -0.417 5.245 -0.381) 5.276 7.759 ( -1.880 1.272 2.681) 3.513 8.110 ( -7.565 -4.433 4.031) 9.650 8.170 ( -1.974 3.121 -2.403) 4.405 8.359 ( 6.169 -2.117 2.159) 6.870 8.893 ( -6.370 2.032 3.329) 7.469 9.498 ( 15.572 -3.914 2.133) 16.197 9.825 ( -1.816 2.828 -0.166) 3.365 10.849 ( 3.949 -16.710 -9.910) 19.825 56.183 ( -0.207 0.345 -0.001) 0.402 56.525 ( -0.248 0.233 -0.044) 0.343 ======================= Grid point 707 (330/424) ======================= q-point: (-0.27 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 1.802 19.031 11.162) 22.136 3.591 ( 9.903 9.623 -17.864) 22.578 3.867 ( 3.382 3.899 -22.665) 23.245 4.468 ( -24.316 15.900 18.085) 34.222 5.187 ( -2.010 8.695 6.533) 11.060 5.657 ( -8.625 23.374 2.564) 25.046 7.269 ( 2.556 5.960 8.587) 10.761 7.424 ( 5.331 -2.093 -8.792) 10.493 7.845 ( 2.208 -7.405 2.994) 8.287 7.983 ( -6.025 7.461 -0.663) 9.613 8.173 ( -3.955 -2.767 -1.929) 5.198 8.492 ( 8.339 -3.365 1.101) 9.059 8.809 ( -8.933 0.821 7.101) 11.441 9.697 ( 4.873 2.046 1.814) 5.588 9.857 ( 14.849 -7.449 4.838) 17.303 11.105 ( 0.933 -13.437 -14.302) 19.646 56.174 ( -0.306 0.382 -0.005) 0.489 56.518 ( -0.308 0.242 -0.064) 0.396 ======================= Grid point 708 (331/424) ======================= q-point: (-0.20 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 6.106 22.041 18.541) 29.442 3.433 ( -5.818 6.598 -9.399) 12.873 3.755 ( 5.749 7.642 -17.921) 20.313 3.959 ( -9.915 24.772 2.710) 26.820 4.969 ( -6.563 22.748 11.433) 26.292 5.177 ( -8.978 12.497 2.786) 15.638 7.295 ( 5.650 -1.080 5.176) 7.738 7.495 ( 6.330 -1.988 -7.801) 10.241 7.763 ( -6.527 8.467 -3.221) 11.166 8.024 ( 2.628 -6.899 3.235) 8.061 8.172 ( 0.814 -0.007 0.548) 0.981 8.604 ( 7.211 0.040 -1.501) 7.366 8.748 ( -9.443 -2.347 7.292) 12.159 9.634 ( 0.187 5.156 -0.099) 5.160 10.268 ( 19.237 -14.322 12.133) 26.877 11.264 ( -2.336 -10.864 -17.585) 20.801 56.164 ( -0.317 0.379 -0.006) 0.494 56.511 ( -0.294 0.228 -0.091) 0.383 ======================= Grid point 709 (332/424) ======================= q-point: (-0.13 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 7.504 18.834 20.893) 29.112 3.102 ( -14.070 22.548 1.219) 26.606 3.471 ( -10.848 12.895 10.636) 19.927 3.647 ( 10.748 13.205 -16.076) 23.416 4.487 ( -0.453 23.142 5.549) 23.802 4.974 ( -4.325 7.804 -7.814) 11.860 7.349 ( 1.717 3.638 -2.056) 4.518 7.560 ( 4.743 -1.949 -2.936) 5.909 7.611 ( -4.360 -0.164 0.956) 4.467 8.075 ( 2.934 4.301 1.950) 5.559 8.235 ( 2.387 -2.260 2.962) 4.425 8.607 ( 4.006 3.007 -0.798) 5.072 8.782 ( -2.417 -5.536 0.550) 6.066 9.537 ( -0.248 5.501 -0.403) 5.521 10.740 ( 13.472 -15.873 15.885) 26.187 11.365 ( -4.979 -10.879 -17.632) 21.308 56.155 ( -0.222 0.326 -0.000) 0.395 56.504 ( -0.199 0.188 -0.104) 0.293 ======================= Grid point 710 (333/424) ======================= q-point: (-0.07 0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.164 ( 4.966 17.778 19.408) 26.784 2.491 ( -7.553 27.792 -3.261) 28.984 3.193 ( -20.128 11.841 22.627) 32.517 3.518 ( 3.854 4.400 7.380) 9.417 4.227 ( 12.831 15.476 -5.037) 20.724 4.772 ( 5.458 7.986 -25.842) 27.593 7.213 ( -1.762 7.564 -2.500) 8.159 7.579 ( -2.534 -0.119 2.763) 3.751 7.705 ( 1.267 -7.373 0.035) 7.482 7.986 ( 0.615 8.148 1.557) 8.318 8.223 ( 0.312 4.656 -0.147) 4.669 8.630 ( 9.518 0.899 -3.664) 10.238 8.866 ( -0.016 -4.743 -1.771) 5.063 9.438 ( -0.930 4.851 -0.386) 4.954 11.131 ( 3.204 -12.966 17.452) 21.977 11.469 ( -7.038 -12.363 -14.565) 20.359 56.149 ( -0.021 0.229 0.015) 0.230 56.500 ( -0.013 0.120 -0.091) 0.151 ======================= Grid point 713 (334/424) ======================= q-point: ( 0.13 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 16.501 -0.000 1.153) 16.541 2.124 ( -21.616 0.000 23.249) 31.745 2.478 ( 13.363 -0.000 -1.992) 13.511 2.838 ( -14.288 0.000 -30.731) 33.890 5.102 ( 33.178 -0.000 26.824) 42.665 5.465 ( 39.035 -0.000 -24.066) 45.857 7.084 ( 1.713 -0.000 5.767) 6.016 7.402 ( -7.189 0.000 -5.049) 8.785 7.719 ( -6.368 0.000 -3.168) 7.112 7.748 ( 2.789 -0.000 4.236) 5.072 8.222 ( 4.521 -0.000 2.742) 5.287 8.418 ( -19.766 0.000 -8.747) 21.615 9.155 ( -0.818 0.000 -5.912) 5.969 9.288 ( 6.336 -0.000 -0.523) 6.358 10.918 ( -31.172 0.000 14.324) 34.305 10.995 ( -22.109 0.000 -14.515) 26.448 56.165 ( 0.939 -0.000 0.112) 0.945 56.515 ( 0.780 -0.000 0.014) 0.781 ======================= Grid point 714 (335/424) ======================= q-point: ( 0.20 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -2.225 1.507 -3.220) 4.194 2.283 ( 11.639 -23.163 2.945) 26.089 2.558 ( 2.068 -4.475 3.664) 6.142 2.931 ( 5.179 -20.112 -14.277) 25.202 5.463 ( 30.846 1.891 19.835) 36.721 5.766 ( 36.474 -0.140 -20.733) 41.955 7.161 ( 1.628 -3.896 6.996) 8.172 7.330 ( -7.382 0.352 -3.443) 8.153 7.592 ( -8.475 2.081 -4.225) 9.696 7.779 ( 2.345 1.442 3.291) 4.291 8.187 ( -15.970 0.090 -4.526) 16.599 8.331 ( -1.286 -5.342 -2.133) 5.895 9.139 ( -6.554 -4.450 -3.624) 8.711 9.348 ( 4.916 -0.152 -0.501) 4.944 10.625 ( -24.063 6.726 -15.506) 29.406 10.707 ( -27.339 0.899 14.320) 30.876 56.175 ( 1.037 -0.007 0.111) 1.043 56.522 ( 0.844 0.016 0.010) 0.844 ======================= Grid point 715 (336/424) ======================= q-point: ( 0.27 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 6.715 -7.125 -12.435) 15.827 2.551 ( 3.341 -5.255 12.526) 13.989 3.143 ( 17.352 -39.289 0.475) 42.953 3.371 ( 11.117 -22.171 -6.227) 25.572 5.702 ( 23.611 5.906 13.588) 27.874 6.002 ( 27.988 2.855 -20.047) 34.545 7.101 ( -10.108 5.128 -3.732) 11.933 7.346 ( 5.081 -2.979 10.122) 11.711 7.553 ( -8.129 -7.560 -6.619) 12.925 7.785 ( -3.398 -2.062 2.293) 4.589 8.064 ( -9.431 -2.040 -2.110) 9.877 8.373 ( -1.921 -1.077 -4.940) 5.409 9.169 ( -8.050 -7.251 -3.134) 11.278 9.377 ( -1.236 -0.934 3.290) 3.637 10.172 ( -14.263 15.697 -21.706) 30.347 10.554 ( -26.980 -5.552 21.319) 34.832 56.185 ( 1.036 0.027 0.089) 1.040 56.530 ( 0.824 0.046 -0.017) 0.825 ======================= Grid point 716 (337/424) ======================= q-point: ( 0.33 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( 11.057 -14.891 -10.459) 21.293 2.759 ( 11.223 -6.440 12.228) 17.803 3.841 ( 14.290 -17.388 2.504) 22.645 4.039 ( 17.284 -41.766 -2.719) 45.283 5.783 ( 15.737 8.374 4.681) 18.431 6.003 ( 5.060 10.343 -9.284) 14.791 7.038 ( 3.594 -5.702 -8.171) 10.592 7.452 ( 5.345 0.129 7.578) 9.274 7.607 ( -6.829 -7.227 -4.360) 10.857 7.782 ( -10.344 -4.978 -2.394) 11.726 8.097 ( -1.086 -6.007 2.030) 6.433 8.313 ( -2.699 2.358 -4.960) 6.120 9.174 ( -12.783 -2.492 1.468) 13.106 9.403 ( -5.460 -5.613 4.799) 9.184 9.746 ( -0.704 15.276 -22.862) 27.505 10.481 ( -24.293 -5.838 20.817) 32.520 56.193 ( 0.945 0.090 0.063) 0.952 56.536 ( 0.728 0.086 -0.058) 0.736 ======================= Grid point 717 (338/424) ======================= q-point: ( 0.40 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( 9.621 -17.044 -6.456) 20.610 3.049 ( 19.453 -6.547 7.360) 21.805 4.231 ( 15.679 -8.427 6.147) 18.831 4.882 ( 16.582 -35.212 -2.477) 39.000 5.734 ( 1.987 11.173 -2.631) 11.649 5.794 ( -2.566 5.378 1.922) 6.262 7.254 ( 7.872 -11.430 -8.157) 16.098 7.488 ( 5.224 2.494 4.047) 7.064 7.640 ( -9.237 -6.781 -4.201) 12.204 7.781 ( -4.521 -4.180 -5.888) 8.520 8.109 ( -8.865 -0.092 -3.257) 9.445 8.321 ( 2.540 -3.154 4.518) 6.067 9.030 ( -12.827 2.674 4.071) 13.720 9.482 ( 0.896 0.800 -0.519) 1.309 9.547 ( 2.478 -1.831 -14.153) 14.485 10.394 ( -22.219 -2.495 17.254) 28.242 56.199 ( 0.785 0.174 0.041) 0.805 56.540 ( 0.569 0.139 -0.091) 0.593 ======================= Grid point 718 (339/424) ======================= q-point: ( 0.47 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 6.014 -14.249 -3.000) 15.755 3.385 ( 26.199 -5.553 -1.264) 26.811 4.430 ( 14.301 4.982 8.101) 17.174 5.498 ( -10.445 8.186 8.332) 15.669 5.540 ( 12.190 -23.402 -3.880) 26.671 5.781 ( 1.404 -2.877 -4.234) 5.307 7.347 ( 0.434 4.572 1.335) 4.782 7.575 ( -3.809 -7.724 -4.620) 9.773 7.676 ( -2.891 -6.283 -2.784) 7.455 7.789 ( 3.809 -0.630 -9.834) 10.564 8.058 ( -7.272 -5.739 -0.667) 9.288 8.379 ( -2.391 -1.043 7.195) 7.653 8.956 ( -2.430 -1.705 1.433) 3.297 9.415 ( 5.321 5.326 -5.634) 9.403 9.686 ( -1.661 -11.514 -2.666) 11.935 10.246 ( -19.353 1.622 12.423) 23.054 56.202 ( 0.581 0.268 0.025) 0.640 56.541 ( 0.372 0.199 -0.102) 0.434 ======================= Grid point 719 (340/424) ======================= q-point: ( 0.53 0.13 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.171 ( 3.233 -8.684 -1.105) 9.332 3.706 ( 29.111 -2.595 -11.999) 31.594 4.381 ( 8.381 13.321 4.908) 16.486 5.294 ( -12.722 6.787 14.674) 20.573 5.801 ( -4.356 -4.600 3.701) 7.337 5.973 ( 9.006 -11.481 -10.671) 18.077 7.254 ( 2.488 5.917 4.070) 7.600 7.544 ( -6.181 0.752 -5.252) 8.145 7.750 ( -6.605 -7.491 -2.039) 10.193 7.875 ( 11.917 -1.407 -7.004) 13.895 8.146 ( -7.891 -9.372 1.784) 12.381 8.385 ( -4.619 -1.647 6.257) 7.949 8.991 ( 0.018 -1.550 -1.363) 2.064 9.380 ( 5.943 3.090 -1.594) 6.885 9.882 ( -3.357 -12.891 -2.163) 13.496 10.074 ( -11.943 1.767 6.835) 13.874 56.201 ( 0.364 0.356 0.017) 0.510 56.539 ( 0.169 0.256 -0.093) 0.321 ======================= Grid point 720 (341/424) ======================= q-point: (-0.40 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.283 ( 0.889 -1.824 -0.719) 2.153 3.919 ( 22.565 2.100 -21.071) 30.945 4.217 ( 8.500 12.840 0.063) 15.399 5.082 ( -16.076 7.641 20.090) 26.841 5.750 ( -8.311 4.599 1.744) 9.658 6.154 ( 7.130 -3.706 -6.498) 10.335 7.252 ( 6.004 0.766 6.642) 8.986 7.468 ( -3.715 0.265 -4.294) 5.684 7.817 ( -3.528 -5.694 -0.857) 6.753 7.977 ( 7.742 0.153 -3.531) 8.510 8.187 ( -10.703 -4.606 4.389) 12.451 8.368 ( -4.251 0.355 2.622) 5.007 8.970 ( -2.851 1.649 -2.190) 3.955 9.424 ( 9.823 -0.144 1.027) 9.877 9.886 ( -9.230 0.294 1.840) 9.416 10.205 ( 0.107 -16.890 -3.049) 17.163 56.197 ( 0.162 0.429 0.013) 0.459 56.535 ( -0.002 0.302 -0.076) 0.311 ======================= Grid point 721 (342/424) ======================= q-point: (-0.33 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -2.006 4.562 -0.610) 5.021 3.929 ( 2.712 2.037 -15.326) 15.697 4.108 ( 19.192 15.551 -9.694) 26.535 4.844 ( -15.994 8.291 19.824) 26.787 5.534 ( -7.465 9.612 -1.112) 12.221 6.196 ( 6.534 5.783 -1.959) 8.943 7.332 ( 3.722 -1.421 1.733) 4.345 7.465 ( 1.004 -2.381 1.965) 3.247 7.804 ( -7.296 5.824 2.940) 9.788 7.961 ( -5.603 -2.891 1.663) 6.520 8.187 ( -1.501 0.271 -2.288) 2.750 8.366 ( 1.887 -2.833 1.791) 3.847 8.888 ( -4.527 2.629 -0.871) 5.307 9.583 ( 14.743 -3.983 3.486) 15.664 9.822 ( -4.512 0.229 0.082) 4.518 10.507 ( -2.663 -19.027 -6.567) 20.304 56.189 ( -0.001 0.482 0.008) 0.483 56.528 ( -0.116 0.329 -0.063) 0.354 ======================= Grid point 722 (343/424) ======================= q-point: (-0.27 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( -2.149 7.078 2.676) 7.866 3.834 ( -2.235 9.185 -6.426) 11.431 3.930 ( 5.251 11.556 -6.848) 14.423 4.597 ( -5.770 12.513 5.112) 14.696 5.326 ( -2.224 7.591 0.261) 7.915 6.015 ( 1.261 19.451 -0.883) 19.512 7.377 ( 0.285 -2.455 -2.169) 3.288 7.480 ( 3.444 8.490 9.914) 13.499 7.714 ( -2.079 -7.263 1.160) 7.643 7.987 ( -6.505 -2.686 3.783) 7.990 8.096 ( -3.341 3.619 -8.647) 9.951 8.494 ( 5.536 -5.078 2.370) 7.877 8.801 ( -3.381 2.736 0.311) 4.361 9.764 ( 0.167 1.797 0.576) 1.894 9.876 ( 15.595 -8.439 7.315) 19.182 10.762 ( -7.014 -17.299 -10.686) 21.509 56.180 ( -0.099 0.509 0.002) 0.519 56.521 ( -0.158 0.335 -0.061) 0.375 ======================= Grid point 723 (344/424) ======================= q-point: (-0.20 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 3.157 10.441 12.068) 16.266 3.521 ( -5.583 15.753 -7.267) 18.225 3.762 ( -19.391 4.727 13.764) 24.245 4.335 ( 13.405 18.115 -19.172) 29.587 5.220 ( 2.153 6.085 2.883) 7.069 5.551 ( -1.789 30.101 -0.567) 30.159 7.381 ( 0.597 2.271 8.280) 8.606 7.478 ( 5.614 -1.902 -1.448) 6.102 7.828 ( -6.391 5.731 -5.472) 10.180 7.918 ( 3.267 -6.808 2.589) 7.983 8.074 ( -5.807 -6.274 -1.953) 8.769 8.626 ( 3.415 -3.784 2.272) 5.580 8.735 ( 1.479 3.266 -1.949) 4.081 9.708 ( -1.089 3.550 0.604) 3.762 10.248 ( 16.876 -11.635 13.188) 24.374 10.919 ( -11.758 -14.713 -14.370) 23.690 56.170 ( -0.106 0.499 -0.001) 0.510 56.514 ( -0.123 0.319 -0.066) 0.348 ======================= Grid point 724 (345/424) ======================= q-point: (-0.13 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.822 ( 6.071 20.408 18.065) 27.923 3.216 ( -13.152 7.852 3.307) 15.671 3.471 ( -24.304 6.856 15.043) 29.394 4.075 ( 15.872 22.662 -21.762) 35.200 5.016 ( 9.378 28.401 -2.161) 29.987 5.138 ( 4.916 9.735 -4.132) 11.662 7.394 ( -0.692 -0.510 4.898) 4.973 7.552 ( 2.981 -1.018 -2.937) 4.307 7.609 ( -6.543 6.565 -1.471) 9.385 8.074 ( -0.097 -4.573 2.826) 5.377 8.174 ( 0.063 -8.054 -0.239) 8.058 8.675 ( -0.988 -0.301 -0.344) 1.088 8.738 ( 10.137 0.665 -5.841) 11.718 9.625 ( -1.170 4.937 1.103) 5.192 10.648 ( 10.946 -12.864 17.069) 24.013 10.993 ( -15.538 -13.900 -15.487) 25.971 56.161 ( -0.006 0.440 0.002) 0.440 56.507 ( -0.010 0.274 -0.063) 0.281 ======================= Grid point 725 (346/424) ======================= q-point: (-0.07 0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -1.878 17.967 9.466) 20.395 2.884 ( -15.724 20.507 27.117) 37.458 3.242 ( -11.291 6.351 0.304) 12.958 3.708 ( 2.419 19.717 -5.339) 20.569 4.717 ( 18.933 21.260 -2.504) 28.578 5.009 ( 17.384 11.212 -19.498) 28.427 7.322 ( -3.062 6.679 -0.557) 7.368 7.507 ( -8.427 -2.930 2.981) 9.407 7.610 ( 1.760 -2.874 0.758) 3.454 8.087 ( -2.038 3.177 0.847) 3.868 8.272 ( 0.564 -1.623 -0.624) 1.828 8.679 ( 1.594 -1.097 -6.595) 6.873 8.837 ( 12.445 -1.653 -5.417) 13.674 9.521 ( -1.622 5.627 1.285) 5.995 10.965 ( -3.548 -12.415 13.325) 18.554 11.064 ( -13.734 -14.964 -7.898) 21.792 56.155 ( 0.197 0.332 0.017) 0.386 56.504 ( 0.179 0.195 -0.042) 0.268 ======================= Grid point 729 (347/424) ======================= q-point: ( 0.20 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 4.495 -0.000 -13.684) 14.403 2.158 ( 21.695 -0.000 -7.446) 22.937 2.632 ( 3.773 -0.000 -0.897) 3.878 2.749 ( 14.058 -0.000 5.212) 14.993 5.838 ( 32.533 -0.000 11.997) 34.674 6.058 ( 33.578 -0.000 -12.013) 35.663 7.156 ( -0.174 0.000 6.697) 6.700 7.234 ( -5.648 0.000 -3.842) 6.831 7.555 ( -8.327 0.000 -4.276) 9.361 7.792 ( -12.575 0.000 -0.591) 12.589 7.971 ( -11.227 0.000 -1.860) 11.380 8.315 ( 3.846 -0.000 1.564) 4.152 9.006 ( -10.302 0.000 -2.243) 10.543 9.370 ( -0.816 0.000 1.941) 2.106 10.369 ( -28.549 0.000 1.258) 28.577 10.534 ( -19.390 0.000 -8.382) 21.124 56.186 ( 1.142 -0.000 0.122) 1.148 56.531 ( 0.899 -0.000 -0.026) 0.899 ======================= Grid point 730 (348/424) ======================= q-point: ( 0.27 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 18.198 1.769 -17.074) 25.017 2.544 ( 17.053 -14.066 -1.328) 22.146 2.761 ( 17.191 -13.201 1.264) 21.712 3.114 ( 13.560 -19.169 5.469) 24.109 6.102 ( 27.260 6.501 9.234) 29.506 6.277 ( 25.611 4.420 -13.498) 29.286 7.086 ( -9.264 3.759 -2.647) 10.342 7.311 ( 0.032 -8.396 3.636) 9.149 7.376 ( -8.802 2.737 -2.058) 9.445 7.644 ( -19.915 -4.900 -2.126) 20.619 7.983 ( 2.290 -1.158 3.633) 4.448 8.355 ( 1.930 -0.100 -1.533) 2.466 8.945 ( -11.510 -5.588 -1.809) 12.923 9.341 ( -7.598 -0.130 5.375) 9.308 10.131 ( -18.731 1.111 -11.881) 22.209 10.315 ( -18.381 1.545 3.873) 18.848 56.196 ( 1.149 0.055 0.108) 1.156 56.539 ( 0.877 0.053 -0.075) 0.882 ======================= Grid point 731 (349/424) ======================= q-point: ( 0.33 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 22.491 -4.105 -9.077) 24.599 2.857 ( 21.565 -4.384 9.738) 24.064 3.416 ( 16.195 -35.884 -16.299) 42.610 3.670 ( 17.296 -25.047 12.910) 33.063 6.159 ( 16.906 12.878 7.415) 22.508 6.221 ( 1.187 13.327 -10.204) 16.826 6.989 ( 4.541 -1.879 -8.011) 9.398 7.311 ( -10.115 -7.564 -6.263) 14.097 7.541 ( 5.486 -6.488 9.872) 13.025 7.553 ( -16.706 -5.806 -0.650) 17.698 8.039 ( 2.254 -1.266 3.429) 4.294 8.333 ( 0.792 2.283 -4.073) 4.736 8.961 ( -11.734 -7.599 -0.526) 13.989 9.277 ( -11.020 -1.830 6.006) 12.683 9.883 ( -3.727 8.147 -23.067) 24.746 10.201 ( -21.168 -5.274 17.658) 28.066 56.205 ( 1.069 0.144 0.082) 1.081 56.545 ( 0.785 0.122 -0.124) 0.804 ======================= Grid point 732 (350/424) ======================= q-point: ( 0.40 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 20.210 -8.388 -0.999) 21.905 3.196 ( 28.232 -4.664 4.999) 29.048 4.062 ( 12.387 -26.077 -8.812) 30.185 4.421 ( 19.840 -34.275 7.087) 40.232 5.879 ( -12.883 13.914 -0.378) 18.966 6.047 ( 8.944 14.519 1.913) 17.160 7.132 ( 7.645 -7.701 -11.534) 15.836 7.361 ( -8.224 -9.376 -4.194) 13.158 7.482 ( -13.047 -3.524 1.591) 13.608 7.725 ( 6.163 -4.033 4.783) 8.782 8.052 ( -2.757 1.219 0.617) 3.077 8.319 ( 3.165 -0.311 -0.871) 3.297 8.932 ( -12.026 -1.764 2.871) 12.489 9.295 ( -6.619 -8.830 1.405) 11.124 9.678 ( 3.445 7.965 -18.158) 20.125 10.155 ( -20.977 -5.538 16.987) 27.555 56.212 ( 0.914 0.249 0.057) 0.949 56.548 ( 0.631 0.197 -0.158) 0.680 ======================= Grid point 733 (351/424) ======================= q-point: ( 0.47 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.816 ( 15.821 -9.034 3.651) 18.581 3.569 ( 32.182 -4.336 -2.145) 32.544 4.534 ( 14.215 -13.170 0.853) 19.397 5.182 ( 15.253 -29.642 -1.598) 33.374 5.538 ( -15.877 9.137 6.342) 19.385 5.864 ( 2.191 10.702 -1.544) 11.033 7.275 ( -3.344 -9.542 -11.122) 15.031 7.438 ( -7.153 -2.931 0.349) 7.738 7.454 ( -7.473 -7.902 1.936) 11.047 7.843 ( 8.549 -1.463 -0.925) 8.722 7.981 ( -1.987 2.463 -0.170) 3.169 8.354 ( -1.260 -0.711 2.690) 3.054 8.889 ( -4.478 -2.842 1.887) 5.630 9.429 ( -4.575 -10.406 1.107) 11.421 9.560 ( 5.172 4.702 -12.776) 14.563 10.083 ( -19.274 -2.785 13.027) 23.429 56.214 ( 0.710 0.358 0.038) 0.796 56.549 ( 0.439 0.269 -0.163) 0.541 ======================= Grid point 734 (352/424) ======================= q-point: ( 0.53 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.099 ( 11.480 -6.603 5.088) 14.187 3.918 ( 31.636 -2.074 -10.531) 33.407 4.703 ( 9.942 9.340 2.763) 13.918 5.323 ( -12.128 3.091 12.137) 17.434 5.644 ( -2.268 -10.651 0.471) 10.900 5.825 ( 8.154 -8.346 -7.432) 13.833 7.334 ( -2.820 -2.426 -3.843) 5.348 7.450 ( -3.227 -3.050 -0.759) 4.505 7.502 ( -10.936 -9.185 1.433) 14.353 7.947 ( 9.609 -1.503 -4.231) 10.606 7.968 ( -1.950 -2.569 2.191) 3.899 8.336 ( -4.430 -0.094 3.594) 5.705 8.940 ( -0.410 -3.731 -1.068) 3.902 9.479 ( 3.898 2.340 -1.738) 4.868 9.620 ( -3.207 -11.007 -4.573) 12.343 9.978 ( -14.589 -0.892 8.312) 16.814 56.213 ( 0.487 0.456 0.026) 0.668 56.546 ( 0.244 0.332 -0.144) 0.436 ======================= Grid point 735 (353/424) ======================= q-point: ( 0.60 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 7.526 -2.070 4.622) 9.071 4.099 ( 14.443 5.555 -15.621) 21.988 4.561 ( 14.209 12.043 -4.617) 19.190 5.155 ( -12.251 8.737 18.720) 24.018 5.720 ( -4.403 -1.670 2.386) 5.279 6.077 ( 8.110 -10.900 -7.198) 15.375 7.331 ( 0.511 0.267 2.267) 2.339 7.413 ( -5.623 -0.337 -0.790) 5.688 7.649 ( -1.435 -10.730 -0.364) 10.832 7.996 ( -6.085 -2.362 1.611) 6.723 8.056 ( 6.846 -3.251 -1.037) 7.649 8.307 ( -5.240 -0.955 1.074) 5.434 8.958 ( -1.938 0.163 -3.265) 3.800 9.509 ( 7.753 -0.231 0.784) 7.796 9.736 ( -8.964 -7.590 -0.669) 11.765 9.955 ( -5.228 -7.911 1.870) 9.665 56.207 ( 0.277 0.531 0.019) 0.600 56.541 ( 0.080 0.376 -0.111) 0.401 ======================= Grid point 736 (354/424) ======================= q-point: (-0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( 2.791 4.601 2.672) 6.009 3.948 ( -5.390 6.267 -9.294) 12.438 4.534 ( 20.096 13.340 -10.443) 26.284 4.932 ( -8.962 8.407 15.617) 19.872 5.613 ( -4.754 7.210 -3.062) 9.163 6.296 ( 9.664 -3.771 0.067) 10.374 7.328 ( -3.106 -0.311 0.922) 3.254 7.418 ( -0.150 -4.002 1.851) 4.412 7.784 ( -0.423 -3.304 2.447) 4.133 7.920 ( -7.858 2.705 3.768) 9.125 8.178 ( 5.941 -1.913 -4.344) 7.604 8.288 ( -5.004 -4.265 0.444) 6.590 8.895 ( -2.484 2.554 -3.565) 5.040 9.642 ( 10.317 -4.390 3.810) 11.842 9.750 ( -4.723 -3.174 -0.039) 5.691 10.132 ( -6.163 -15.881 -2.619) 17.235 56.199 ( 0.109 0.579 0.012) 0.589 56.534 ( -0.022 0.398 -0.079) 0.407 ======================= Grid point 737 (355/424) ======================= q-point: (-0.27 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -1.348 7.389 -0.127) 7.512 3.815 ( -8.723 0.922 0.831) 8.811 4.289 ( -3.500 20.912 7.194) 22.390 4.821 ( 12.104 9.211 -9.011) 17.679 5.426 ( -2.213 7.457 -3.985) 8.740 6.325 ( 6.369 10.522 -0.162) 12.300 7.313 ( -3.567 -1.607 1.036) 4.047 7.542 ( 0.577 -8.776 0.461) 8.807 7.703 ( -1.860 7.904 10.307) 13.121 7.903 ( -0.914 -1.894 2.278) 3.100 8.124 ( -3.069 4.867 -9.348) 10.977 8.416 ( 1.074 -8.199 3.082) 8.825 8.829 ( 1.006 2.307 -4.542) 5.192 9.751 ( -2.846 -1.676 0.578) 3.353 9.895 ( 14.100 -8.174 7.256) 17.840 10.336 ( -11.360 -17.173 -6.238) 21.514 56.189 ( 0.010 0.594 0.005) 0.595 56.526 ( -0.051 0.398 -0.057) 0.405 ======================= Grid point 738 (356/424) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 0.391 2.887 1.487) 3.270 3.688 ( -18.261 3.615 15.950) 24.514 3.847 ( -8.537 23.682 8.048) 26.429 4.723 ( 20.081 14.182 -22.068) 33.036 5.317 ( 1.844 3.651 -2.598) 4.845 6.043 ( 2.488 23.922 -2.560) 24.187 7.325 ( -5.090 -3.164 3.794) 7.093 7.618 ( 5.391 3.659 6.035) 8.881 7.755 ( 5.293 -8.024 3.091) 10.097 7.926 ( -3.362 -2.398 2.521) 4.838 7.936 ( -6.073 7.066 -9.119) 13.037 8.557 ( -0.932 -6.177 2.883) 6.880 8.814 ( 7.313 1.859 -7.643) 10.740 9.739 ( -1.464 1.059 1.243) 2.193 10.231 ( 12.908 -11.171 12.512) 21.165 10.472 ( -16.575 -15.705 -9.882) 24.881 56.179 ( 0.003 0.572 -0.001) 0.572 56.519 ( -0.003 0.375 -0.044) 0.377 ======================= Grid point 739 (357/424) ======================= q-point: (-0.13 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.129 ( 5.129 -0.749 5.458) 7.527 3.319 ( -23.674 20.113 24.150) 39.347 3.460 ( -11.143 13.036 5.599) 18.040 4.559 ( 18.912 19.716 -20.370) 34.078 5.292 ( 6.466 3.274 -5.691) 9.216 5.604 ( 8.588 27.486 -5.552) 29.326 7.333 ( -7.797 -2.517 7.697) 11.242 7.600 ( 0.126 6.071 -7.062) 9.313 7.721 ( 3.130 7.318 3.546) 8.713 7.959 ( -4.474 -7.910 -0.248) 9.091 8.012 ( 4.250 -8.811 2.847) 10.188 8.625 ( -2.694 -3.196 0.178) 4.183 8.855 ( 12.596 1.370 -10.610) 16.525 9.692 ( -1.312 3.405 2.181) 4.251 10.494 ( -18.005 -13.740 -7.317) 23.801 10.606 ( 4.636 -11.931 12.301) 17.753 56.170 ( 0.103 0.503 0.000) 0.514 56.513 ( 0.116 0.326 -0.030) 0.347 ======================= Grid point 740 (358/424) ======================= q-point: (-0.07 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -19.297 20.604 17.142) 33.026 3.119 ( -15.173 14.218 15.479) 25.922 3.228 ( 7.823 -0.239 3.302) 8.495 4.219 ( 9.556 29.367 -7.622) 31.809 5.230 ( 10.206 15.666 -1.858) 18.789 5.321 ( 23.570 12.324 -21.579) 34.250 7.313 ( -9.424 -1.878 7.969) 12.483 7.425 ( -6.537 3.952 -7.459) 10.676 7.681 ( 5.485 5.704 5.852) 9.842 8.061 ( -1.220 -4.983 0.329) 5.140 8.180 ( 0.204 -6.008 -1.019) 6.097 8.632 ( -3.150 -1.508 -3.503) 4.946 8.948 ( 16.413 -0.332 -11.645) 20.127 9.607 ( -1.862 5.212 2.533) 6.087 10.507 ( -24.657 -15.742 -11.378) 31.388 10.876 ( -0.385 -9.037 19.732) 21.707 56.164 ( 0.303 0.388 0.013) 0.492 56.510 ( 0.297 0.243 -0.007) 0.384 ======================= Grid point 745 (359/424) ======================= q-point: ( 0.27 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 28.586 -0.000 -13.444) 31.590 2.518 ( 22.724 -0.000 -15.459) 27.484 2.927 ( 22.947 -0.000 8.092) 24.332 3.058 ( 13.048 -0.000 12.937) 18.374 6.426 ( 25.644 -0.000 -10.282) 27.629 6.515 ( 14.835 -0.000 2.517) 15.047 7.021 ( -8.651 0.000 -3.775) 9.439 7.238 ( -3.949 0.000 2.694) 4.780 7.270 ( -24.607 0.000 -2.439) 24.728 7.408 ( -2.021 0.000 0.627) 2.116 8.028 ( 3.962 -0.000 6.425) 7.549 8.379 ( 2.347 -0.000 -0.079) 2.348 8.776 ( -11.812 0.000 -0.830) 11.842 9.258 ( -13.027 0.000 6.682) 14.641 9.923 ( -18.463 0.000 0.159) 18.464 10.202 ( -9.688 0.000 -10.971) 14.637 56.208 ( 1.163 -0.000 0.105) 1.167 56.547 ( 0.858 -0.000 -0.142) 0.869 ======================= Grid point 746 (360/424) ======================= q-point: ( 0.33 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 32.159 4.165 -2.956) 32.562 2.886 ( 21.008 -20.192 -14.320) 32.468 3.173 ( 25.008 -4.051 4.287) 25.694 3.459 ( 17.348 -19.989 13.053) 29.511 6.369 ( -10.432 10.782 -13.115) 19.927 6.550 ( 11.981 11.277 5.805) 17.447 6.968 ( -2.539 -3.011 -5.751) 6.971 7.111 ( -2.331 -2.334 -5.577) 6.479 7.280 ( -12.557 -7.556 -0.484) 14.663 7.488 ( 3.684 -6.024 8.581) 11.112 8.082 ( 3.553 0.259 6.260) 7.202 8.377 ( 1.651 1.898 -2.064) 3.254 8.732 ( -8.806 -5.920 0.195) 10.613 9.149 ( -14.639 -1.035 5.958) 15.839 9.797 ( -12.033 -1.857 -3.721) 12.731 10.073 ( -7.836 2.025 -4.274) 9.153 56.218 ( 1.087 0.108 0.087) 1.096 56.554 ( 0.770 0.089 -0.198) 0.800 ======================= Grid point 747 (361/424) ======================= q-point: ( 0.40 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( 28.997 1.722 6.488) 29.764 3.404 ( 30.444 -9.867 -1.275) 32.028 3.613 ( 15.341 -26.056 -12.562) 32.743 4.098 ( 19.305 -27.552 12.725) 35.968 5.976 ( -17.999 12.862 -3.575) 22.409 6.379 ( 1.147 15.033 1.700) 15.172 6.989 ( -7.944 -6.275 -8.527) 13.236 7.183 ( 2.653 -5.429 -8.536) 10.458 7.291 ( -6.665 -4.950 2.497) 8.669 7.675 ( 2.751 -7.656 7.501) 11.066 8.105 ( 2.643 2.596 5.281) 6.451 8.358 ( 3.202 1.354 -2.939) 4.553 8.775 ( -7.226 -5.309 1.767) 9.139 9.094 ( -9.702 -5.933 2.522) 11.649 9.714 ( -4.428 0.593 -10.290) 11.218 9.973 ( -10.942 -0.252 6.987) 12.985 56.225 ( 0.935 0.241 0.064) 0.968 56.557 ( 0.626 0.190 -0.228) 0.692 ======================= Grid point 748 (362/424) ======================= q-point: ( 0.47 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 24.486 -0.848 11.535) 27.080 3.817 ( 35.236 -3.348 -2.448) 35.479 4.224 ( 10.705 -30.794 -10.910) 34.378 4.817 ( 16.755 -29.218 6.968) 34.394 5.588 ( -17.454 11.946 2.311) 21.276 6.093 ( -5.144 14.208 -0.124) 15.111 6.993 ( -12.220 -8.212 -8.723) 17.113 7.270 ( -2.955 -7.384 -5.328) 9.573 7.342 ( -1.808 -3.100 3.174) 4.791 7.834 ( 2.243 -5.635 4.418) 7.503 8.076 ( 3.732 5.128 3.688) 7.337 8.363 ( 2.072 0.941 -1.924) 2.980 8.789 ( -4.684 -3.677 2.176) 6.340 9.193 ( -4.224 -10.837 -0.324) 11.635 9.635 ( 0.845 2.793 -10.747) 11.136 9.903 ( -13.836 -1.893 10.402) 17.413 56.228 ( 0.730 0.374 0.044) 0.822 56.557 ( 0.445 0.286 -0.223) 0.574 ======================= Grid point 749 (363/424) ======================= q-point: ( 0.53 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 19.720 -0.842 12.926) 23.594 4.166 ( 31.892 -1.067 -8.395) 32.996 4.779 ( 13.152 -17.595 -4.846) 22.495 5.242 ( -15.374 5.244 4.068) 16.745 5.388 ( 1.854 -17.468 0.399) 17.571 5.853 ( -1.146 5.805 1.929) 6.224 7.025 ( -13.512 -12.692 -8.338) 20.327 7.350 ( -4.341 -2.868 -1.399) 5.387 7.383 ( -0.560 -5.665 4.404) 7.198 7.942 ( 0.103 -3.867 4.657) 6.054 8.027 ( 4.302 5.119 1.010) 6.763 8.344 ( 1.067 2.096 -0.958) 2.540 8.850 ( -0.844 -5.143 -0.483) 5.234 9.354 ( -2.994 -10.948 -0.984) 11.392 9.577 ( 2.530 2.567 -7.019) 7.890 9.836 ( -12.843 -2.042 8.028) 15.283 56.226 ( 0.502 0.491 0.029) 0.703 56.554 ( 0.260 0.364 -0.189) 0.486 ======================= Grid point 750 (364/424) ======================= q-point: ( 0.60 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.405 ( 14.891 1.335 12.114) 19.243 4.306 ( 9.693 9.185 -12.159) 18.060 4.837 ( 10.873 7.464 -7.499) 15.171 5.202 ( -11.257 1.745 10.345) 15.388 5.605 ( 1.448 -13.635 7.513) 15.635 5.931 ( 6.039 -7.460 -7.958) 12.468 7.139 ( -11.803 -15.224 -7.684) 20.740 7.321 ( -5.532 -0.505 0.351) 5.566 7.542 ( 6.327 -6.697 8.141) 12.294 7.987 ( -1.005 0.051 2.149) 2.373 8.006 ( -1.365 -1.502 3.663) 4.188 8.310 ( 2.490 2.984 -3.850) 5.471 8.913 ( -0.946 -2.683 -3.149) 4.244 9.507 ( -3.911 -9.598 -1.472) 10.468 9.562 ( 3.420 -0.058 -0.874) 3.531 9.801 ( -8.096 -3.921 3.931) 9.817 56.220 ( 0.284 0.578 0.018) 0.644 56.549 ( 0.108 0.415 -0.139) 0.451 ======================= Grid point 751 (365/424) ======================= q-point: (-0.33 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( 10.097 5.889 10.706) 15.851 4.010 ( -11.270 12.999 -9.703) 19.752 4.853 ( 7.853 9.053 -5.717) 13.278 5.030 ( -1.785 4.424 7.337) 8.751 5.709 ( 2.110 6.184 -1.399) 6.682 6.210 ( 7.973 -15.909 -1.455) 17.854 7.249 ( -9.806 -8.733 -1.804) 13.254 7.294 ( -1.395 -2.257 -1.944) 3.289 7.743 ( 4.733 -4.841 9.997) 12.074 7.954 ( 1.833 4.215 1.052) 4.716 8.078 ( -5.787 -9.794 3.793) 11.992 8.256 ( 1.839 3.751 -7.663) 8.728 8.904 ( -0.604 1.075 -4.534) 4.699 9.582 ( -4.610 -6.370 1.627) 8.030 9.683 ( 7.179 -5.320 0.838) 8.975 9.851 ( -6.845 -8.449 0.935) 10.914 56.211 ( 0.110 0.626 0.009) 0.636 56.541 ( 0.015 0.436 -0.090) 0.445 ======================= Grid point 752 (366/424) ======================= q-point: (-0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 2.592 13.668 3.220) 14.280 3.748 ( -11.568 2.122 2.800) 12.090 4.564 ( -13.905 15.633 11.563) 23.905 5.072 ( 19.473 5.406 -13.836) 24.492 5.550 ( 0.398 9.510 -5.449) 10.968 6.454 ( 3.948 -2.821 -1.070) 4.969 7.267 ( -2.862 -1.613 4.360) 5.459 7.382 ( -0.267 -8.209 -2.828) 8.686 7.792 ( -2.963 1.994 9.975) 10.595 7.940 ( 6.565 1.859 -0.003) 6.823 8.146 ( -3.830 3.106 -7.332) 8.836 8.259 ( -0.432 -9.320 2.423) 9.639 8.871 ( 3.314 1.628 -6.129) 7.155 9.669 ( -1.639 -5.409 2.303) 6.103 9.875 ( 6.962 -8.337 3.934) 11.552 9.953 ( -9.455 -11.577 -1.163) 14.993 56.201 ( 0.009 0.633 0.001) 0.633 56.533 ( -0.005 0.428 -0.053) 0.431 ======================= Grid point 753 (367/424) ======================= q-point: (-0.20 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 1.201 8.282 -0.099) 8.370 3.627 ( -16.611 2.994 18.937) 25.368 4.165 ( -11.134 18.730 8.118) 23.252 5.073 ( 20.684 10.126 -20.852) 31.067 5.406 ( 2.536 6.090 -3.992) 7.711 6.365 ( -1.970 11.572 -3.693) 12.305 7.272 ( -2.144 -0.094 5.218) 5.642 7.556 ( 4.102 -9.226 -1.429) 10.197 7.792 ( 1.690 -0.954 9.067) 9.272 7.926 ( 0.188 5.330 -7.776) 9.429 8.018 ( 0.496 5.575 1.834) 5.890 8.415 ( -2.600 -8.302 2.404) 9.026 8.885 ( 8.298 0.513 -9.303) 12.477 9.732 ( 0.089 -1.488 2.459) 2.875 10.014 ( -17.552 -12.775 -3.831) 22.045 10.174 ( 8.288 -12.014 8.918) 17.105 56.190 ( 0.002 0.597 -0.006) 0.597 56.526 ( 0.047 0.395 -0.030) 0.399 ======================= Grid point 754 (368/424) ======================= q-point: (-0.13 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 3.719 0.922 -0.733) 3.901 3.387 ( -25.575 10.218 32.625) 42.695 3.764 ( -3.426 19.581 1.562) 19.940 4.996 ( 20.503 14.621 -19.096) 31.604 5.361 ( 5.607 1.757 -6.954) 9.104 6.061 ( 0.970 18.931 -4.535) 19.491 7.263 ( -4.420 -0.241 7.147) 8.407 7.712 ( -5.730 9.343 -11.190) 15.664 7.751 ( 4.948 -8.055 -1.914) 9.645 7.916 ( 6.596 -3.186 7.600) 10.556 7.971 ( 4.083 4.128 6.029) 8.370 8.509 ( -4.440 -5.754 -0.285) 7.274 8.947 ( 11.544 -0.214 -11.978) 16.636 9.736 ( -0.433 1.786 3.082) 3.589 10.023 ( -23.014 -12.047 -7.073) 26.922 10.498 ( 5.044 -12.593 14.661) 19.974 56.180 ( 0.102 0.517 -0.006) 0.527 56.520 ( 0.163 0.339 -0.013) 0.376 ======================= Grid point 755 (369/424) ======================= q-point: (-0.07 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( -24.208 16.554 31.498) 43.037 3.150 ( -1.592 4.458 -11.554) 12.486 3.488 ( 6.640 11.719 14.448) 19.753 4.792 ( 14.837 23.941 -8.056) 29.295 5.396 ( 10.413 0.408 -14.950) 18.224 5.757 ( 9.811 17.477 -6.979) 21.223 7.237 ( -6.017 -0.031 8.414) 10.344 7.459 ( -4.571 9.060 -9.569) 13.947 7.888 ( 1.815 4.643 4.633) 6.805 7.929 ( 5.888 -4.115 -0.364) 7.193 8.108 ( 4.003 -5.709 3.474) 7.790 8.535 ( -5.913 -3.462 -3.342) 7.624 9.043 ( 13.964 -1.339 -13.454) 19.437 9.679 ( -2.717 3.901 3.203) 5.732 9.983 ( -25.140 -12.221 -7.941) 29.059 10.762 ( -2.106 -9.520 18.729) 21.115 56.174 ( 0.300 0.394 0.004) 0.495 56.517 ( 0.329 0.254 0.004) 0.415 ======================= Grid point 761 (370/424) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 18.500 -0.000 -18.167) 25.929 2.828 ( 37.620 -0.000 2.858) 37.729 3.383 ( 12.312 -0.000 16.383) 20.494 3.509 ( 33.399 -0.000 4.018) 33.640 6.257 ( -25.248 0.000 -10.634) 27.396 6.748 ( 1.466 -0.000 0.519) 1.555 6.844 ( -7.678 0.000 -3.312) 8.362 7.062 ( -10.178 0.000 -5.091) 11.380 7.172 ( 10.222 -0.000 -3.386) 10.768 7.494 ( 4.739 -0.000 8.585) 9.806 8.139 ( 3.962 -0.000 7.515) 8.495 8.402 ( 0.651 -0.000 -1.731) 1.849 8.622 ( -3.232 0.000 2.097) 3.853 9.008 ( -15.458 0.000 4.688) 16.153 9.676 ( -8.234 0.000 0.785) 8.272 10.017 ( -5.151 0.000 -8.094) 9.594 56.229 ( 1.009 -0.000 0.078) 1.012 56.561 ( 0.689 -0.000 -0.255) 0.735 ======================= Grid point 762 (371/424) ======================= q-point: ( 0.40 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 24.707 0.917 5.532) 25.335 3.150 ( 21.777 -14.336 -10.845) 28.238 3.688 ( 23.256 -8.932 7.366) 25.979 3.938 ( 27.964 -13.416 7.176) 31.835 5.929 ( -24.929 5.636 -4.553) 25.961 6.566 ( -10.952 11.370 -2.788) 16.031 6.799 ( -8.213 -3.177 -2.883) 9.266 7.031 ( -7.482 -6.343 -7.941) 12.621 7.270 ( 8.230 -0.874 -3.202) 8.874 7.609 ( 3.942 -4.747 8.720) 10.683 8.193 ( 4.597 1.239 7.335) 8.744 8.391 ( 0.932 0.692 -2.675) 2.916 8.662 ( 0.077 -3.569 2.838) 4.561 8.911 ( -12.005 -3.752 2.498) 12.823 9.634 ( -3.896 -1.111 -1.005) 4.174 9.933 ( -5.391 1.790 -3.422) 6.632 56.237 ( 0.855 0.150 0.061) 0.870 56.565 ( 0.553 0.118 -0.279) 0.631 ======================= Grid point 763 (372/424) ======================= q-point: ( 0.47 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 24.844 4.072 16.775) 30.253 3.703 ( 11.806 -31.414 -14.261) 36.464 4.078 ( 30.971 -4.745 -1.370) 31.363 4.526 ( 19.534 -23.332 8.532) 31.603 5.595 ( -20.024 7.441 0.045) 21.362 6.211 ( -16.747 11.471 -2.948) 20.512 6.768 ( -8.738 -3.296 -4.052) 10.180 7.077 ( -5.300 -8.551 -7.316) 12.439 7.320 ( 1.680 -0.216 -0.895) 1.915 7.763 ( 2.575 -5.782 8.129) 10.303 8.214 ( 5.689 3.892 3.372) 7.674 8.388 ( 0.837 0.183 -1.183) 1.460 8.705 ( -2.663 -2.346 2.732) 4.478 8.968 ( -4.014 -9.980 -0.057) 10.757 9.620 ( -0.684 -0.315 -4.155) 4.222 9.839 ( -6.551 2.141 1.946) 7.161 56.240 ( 0.645 0.310 0.043) 0.717 56.565 ( 0.384 0.238 -0.262) 0.522 ======================= Grid point 764 (373/424) ======================= q-point: ( 0.53 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( 21.280 2.901 18.525) 28.363 4.310 ( 8.725 -24.161 -10.332) 27.688 4.463 ( 29.915 -12.027 -6.270) 32.846 5.083 ( 6.662 -20.045 2.400) 21.259 5.273 ( -15.748 10.230 0.711) 18.793 5.898 ( -13.078 4.759 2.472) 14.135 6.734 ( -9.371 -4.571 -4.861) 11.503 7.200 ( -1.715 -10.963 -5.119) 12.220 7.318 ( -1.885 -0.380 1.262) 2.300 7.884 ( -1.386 -3.542 10.274) 10.955 8.175 ( 5.323 5.985 -3.566) 8.767 8.389 ( 1.056 0.831 2.652) 2.973 8.755 ( -0.430 -4.589 -0.174) 4.613 9.134 ( -1.665 -11.196 -1.191) 11.382 9.602 ( 0.680 0.971 -5.430) 5.558 9.752 ( -6.759 1.278 4.546) 8.245 56.239 ( 0.411 0.453 0.026) 0.613 56.562 ( 0.211 0.340 -0.212) 0.453 ======================= Grid point 765 (374/424) ======================= q-point: ( 0.60 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.651 ( 15.820 3.819 17.012) 23.543 4.507 ( 4.640 7.072 -9.767) 12.921 4.971 ( 9.146 -5.927 -11.751) 16.027 5.034 ( -5.749 -7.075 3.129) 9.639 5.308 ( -5.114 -15.163 3.832) 16.454 5.892 ( 2.844 -4.319 1.712) 5.447 6.761 ( -8.848 -10.858 -4.005) 14.568 7.283 ( -1.011 -0.561 -2.445) 2.705 7.437 ( 2.879 -12.612 2.466) 13.170 7.903 ( -8.158 -0.203 13.183) 15.505 8.112 ( 5.558 4.806 -6.383) 9.733 8.386 ( 2.447 2.530 0.789) 3.607 8.836 ( 0.257 -4.464 -2.904) 5.331 9.308 ( -1.555 -10.021 -0.954) 10.186 9.574 ( -0.132 0.237 -2.120) 2.137 9.708 ( -3.449 -0.731 2.903) 4.567 56.233 ( 0.188 0.561 0.013) 0.591 56.556 ( 0.069 0.408 -0.147) 0.439 ======================= Grid point 766 (375/424) ======================= q-point: (-0.33 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.731 ( 7.413 4.587 14.117) 16.592 4.162 ( -9.703 19.268 -8.834) 23.311 4.915 ( -16.457 4.134 4.338) 17.514 5.124 ( 14.135 -2.223 -4.682) 15.055 5.775 ( 7.827 -17.367 4.552) 19.585 5.935 ( -0.488 -5.114 -9.468) 10.772 6.934 ( -3.971 -15.192 -1.402) 15.765 7.279 ( 1.229 0.127 -1.597) 2.019 7.721 ( 6.469 -11.194 5.426) 14.022 7.853 ( -11.755 -2.910 8.665) 14.891 8.074 ( 5.677 3.778 -3.632) 7.727 8.332 ( 0.659 5.073 -3.111) 5.987 8.887 ( 0.820 -1.882 -4.270) 4.738 9.430 ( -2.907 -6.808 1.741) 7.604 9.620 ( -1.057 -5.473 0.535) 5.600 9.730 ( 1.810 -2.518 1.014) 3.262 56.223 ( 0.010 0.620 0.002) 0.620 56.549 ( -0.016 0.435 -0.085) 0.444 ======================= Grid point 767 (376/424) ======================= q-point: (-0.27 -0.67 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.686 ( -15.487 5.734 -3.260) 16.833 3.746 ( 5.616 16.530 11.215) 20.750 4.651 ( -17.413 8.850 8.950) 21.486 5.274 ( 17.155 0.930 -9.860) 19.809 5.726 ( 1.066 10.204 -4.842) 11.345 6.258 ( -3.508 -18.239 -5.051) 19.248 7.172 ( 2.746 -10.779 4.247) 11.907 7.301 ( 3.637 -1.216 -1.670) 4.183 7.793 ( -6.800 -0.527 9.674) 11.836 7.966 ( -0.148 -7.330 -6.160) 9.576 8.109 ( 8.865 -2.170 3.078) 9.632 8.211 ( -2.981 5.187 -3.648) 7.007 8.905 ( 3.453 0.059 -5.130) 6.184 9.553 ( 0.380 -7.716 4.219) 8.803 9.678 ( -9.230 -6.157 1.550) 11.202 9.852 ( 7.213 -5.475 0.667) 9.080 56.211 ( -0.092 0.627 -0.007) 0.634 56.541 ( -0.031 0.425 -0.040) 0.428 ======================= Grid point 768 (377/424) ======================= q-point: (-0.20 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.379 ( -5.532 10.021 -3.278) 11.907 3.628 ( -8.414 6.710 20.342) 23.013 4.339 ( -12.947 12.448 6.309) 19.037 5.335 ( 16.114 5.726 -17.618) 24.552 5.565 ( 4.013 8.457 -1.173) 9.434 6.368 ( -8.948 -3.596 -5.792) 11.249 7.286 ( 0.921 -0.036 4.906) 4.992 7.450 ( 6.257 -7.764 -1.325) 10.059 7.778 ( -3.883 -1.959 4.579) 6.315 7.985 ( -0.206 2.287 -6.863) 7.237 8.135 ( 5.242 2.385 2.260) 6.187 8.268 ( 1.474 -6.318 2.980) 7.140 8.934 ( 6.689 -0.271 -7.739) 10.233 9.673 ( -14.270 -7.189 0.921) 16.005 9.712 ( 3.062 -3.934 4.034) 6.413 10.053 ( 5.097 -10.203 4.520) 12.268 56.200 ( -0.096 0.582 -0.015) 0.591 56.533 ( 0.021 0.384 -0.013) 0.385 ======================= Grid point 769 (378/424) ======================= q-point: (-0.13 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.227 ( -1.020 4.226 1.353) 4.553 3.443 ( -14.704 9.014 25.101) 30.455 4.020 ( -6.369 14.171 2.095) 15.677 5.310 ( 16.217 6.460 -21.939) 28.036 5.487 ( 7.335 7.800 1.949) 10.883 6.237 ( -7.566 6.426 -4.495) 10.897 7.279 ( -0.730 2.214 4.473) 5.044 7.578 ( -2.380 -5.786 -7.419) 9.705 7.839 ( 2.128 -3.045 2.070) 4.252 7.918 ( 3.973 3.164 0.557) 5.110 8.164 ( 9.318 5.028 4.468) 11.492 8.367 ( -2.572 -5.154 0.106) 5.761 8.996 ( 8.651 -1.354 -10.910) 13.989 9.625 ( -20.028 -6.338 -0.792) 21.022 9.790 ( 3.719 0.423 3.267) 4.969 10.327 ( 1.366 -13.937 10.456) 17.476 56.190 ( 0.007 0.490 -0.016) 0.491 56.528 ( 0.128 0.319 -0.001) 0.344 ======================= Grid point 770 (379/424) ======================= q-point: (-0.07 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( -14.683 8.923 21.863) 27.806 3.241 ( -0.365 7.960 0.611) 7.992 3.770 ( 2.434 11.243 7.244) 13.595 5.268 ( 17.512 13.830 -11.935) 25.306 5.441 ( 6.942 2.169 -7.371) 10.355 6.019 ( -2.780 10.206 -3.389) 11.108 7.237 ( -2.135 1.650 4.353) 5.122 7.557 ( -2.612 3.850 -7.867) 9.140 7.840 ( 4.436 1.392 -4.171) 6.246 8.049 ( 4.748 -7.391 5.145) 10.181 8.141 ( 7.153 7.825 5.478) 11.933 8.404 ( -4.804 -3.347 -2.942) 6.552 9.081 ( 9.590 -2.682 -13.566) 16.828 9.523 ( -22.587 -5.527 -0.738) 23.265 9.792 ( 1.328 2.852 2.641) 4.108 10.589 ( -4.462 -12.193 15.010) 19.847 56.183 ( 0.204 0.358 -0.007) 0.412 56.525 ( 0.277 0.232 0.004) 0.361 ======================= Grid point 777 (380/424) ======================= q-point: ( 0.40 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 10.187 -0.000 -13.528) 16.935 3.572 ( 34.945 -0.000 11.418) 36.763 3.694 ( 11.126 -0.000 12.975) 17.092 4.183 ( 35.468 -0.000 1.261) 35.490 5.715 ( -25.698 0.000 -1.991) 25.775 6.528 ( -19.647 0.000 -8.958) 21.593 6.701 ( -5.412 0.000 -2.674) 6.036 6.849 ( -8.587 0.000 -5.406) 10.147 7.326 ( 5.717 -0.000 -3.534) 6.721 7.638 ( 4.801 -0.000 8.654) 9.896 8.276 ( 5.626 -0.000 8.800) 10.445 8.386 ( -0.780 0.000 -2.919) 3.021 8.664 ( 2.498 -0.000 3.650) 4.423 8.772 ( -9.090 0.000 -0.096) 9.091 9.612 ( 1.001 -0.000 -0.856) 1.317 9.890 ( -5.109 0.000 -2.909) 5.879 56.246 ( 0.693 -0.000 0.050) 0.695 56.570 ( 0.426 -0.000 -0.293) 0.517 ======================= Grid point 778 (381/424) ======================= q-point: ( 0.47 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 4.471 -18.916 -7.578) 20.862 3.706 ( 22.116 5.818 11.382) 25.544 4.120 ( 19.015 -14.995 6.116) 24.976 4.552 ( 32.024 -4.757 2.695) 32.488 5.476 ( -20.463 1.750 1.104) 20.567 6.189 ( -22.948 9.040 -10.105) 26.654 6.670 ( -3.952 -1.258 -1.343) 4.359 6.835 ( -7.702 -7.749 -7.173) 13.070 7.341 ( 0.722 1.004 -0.743) 1.443 7.737 ( 3.964 -3.427 8.044) 9.600 8.333 ( 5.303 2.369 1.411) 5.977 8.378 ( -0.813 -0.810 3.247) 3.444 8.653 ( -6.248 -1.410 3.500) 7.299 8.803 ( 2.470 -5.545 -2.690) 6.640 9.627 ( 3.418 0.577 -2.938) 4.544 9.824 ( -4.614 1.569 -0.233) 4.879 56.250 ( 0.476 0.176 0.035) 0.509 56.571 ( 0.266 0.135 -0.264) 0.398 ======================= Grid point 779 (382/424) ======================= q-point: ( 0.53 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.620 ( 1.697 -19.271 9.588) 21.591 3.919 ( 16.374 -9.086 -2.546) 18.898 4.529 ( 14.212 -12.652 -0.836) 19.046 4.934 ( 18.957 -7.697 1.469) 20.512 5.275 ( -11.640 4.955 2.131) 12.829 5.814 ( -19.186 4.674 -5.389) 20.469 6.642 ( -3.243 0.385 -0.930) 3.395 6.934 ( -4.733 -12.520 -6.170) 14.738 7.317 ( -0.854 0.952 0.350) 1.326 7.852 ( 0.627 -3.301 9.703) 10.269 8.289 ( 1.519 4.014 -7.984) 9.065 8.414 ( 1.053 0.033 10.212) 10.266 8.671 ( -2.178 -4.310 0.988) 4.929 8.942 ( 1.778 -8.676 -3.503) 9.524 9.623 ( 1.591 1.740 -3.766) 4.443 9.757 ( -1.538 2.452 0.776) 2.997 56.249 ( 0.237 0.346 0.020) 0.420 56.568 ( 0.103 0.259 -0.201) 0.344 ======================= Grid point 780 (383/424) ======================= q-point: (-0.40 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.857 ( 4.179 -0.072 17.405) 17.900 4.322 ( -1.116 -25.403 -11.911) 28.079 4.814 ( 0.540 -9.836 -1.485) 9.962 4.998 ( -7.068 8.289 -1.520) 10.999 5.159 ( 4.925 -3.036 -2.328) 6.236 5.787 ( 2.201 -9.186 1.963) 9.648 6.609 ( -2.231 -0.996 -0.466) 2.488 7.143 ( -1.154 -14.533 -3.846) 15.078 7.315 ( 1.563 -1.282 -0.063) 2.023 7.892 ( -5.381 0.469 14.585) 15.553 8.205 ( 2.238 3.792 -10.275) 11.179 8.443 ( 1.326 1.076 6.720) 6.933 8.747 ( 0.019 -5.020 -2.285) 5.515 9.116 ( 0.613 -10.202 -1.856) 10.387 9.576 ( -2.025 1.834 -1.326) 3.037 9.727 ( 3.764 2.003 -0.903) 4.358 56.243 ( 0.010 0.481 0.006) 0.481 56.563 ( -0.030 0.349 -0.123) 0.372 ======================= Grid point 781 (384/424) ======================= q-point: (-0.33 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.824 ( -9.335 4.046 4.725) 11.218 4.395 ( -6.425 11.261 -3.116) 13.334 4.792 ( -16.227 -3.850 5.193) 17.467 5.069 ( 5.762 -12.682 0.009) 13.929 5.407 ( 8.016 -17.637 -5.986) 20.277 5.941 ( 1.797 -1.536 -2.567) 3.490 6.703 ( 4.214 -10.111 1.443) 11.049 7.286 ( 2.607 -2.465 -2.957) 4.649 7.478 ( 0.682 -14.209 -1.294) 14.284 7.837 ( -7.535 2.469 16.495) 18.302 8.153 ( 4.082 2.189 -9.894) 10.925 8.420 ( 0.408 4.212 1.353) 4.443 8.825 ( 0.413 -4.446 -3.171) 5.477 9.281 ( -1.195 -8.612 1.822) 8.884 9.542 ( -2.953 -0.864 0.853) 3.193 9.759 ( 8.613 0.035 -2.048) 8.853 56.233 ( -0.169 0.561 -0.005) 0.586 56.555 ( -0.110 0.394 -0.055) 0.412 ======================= Grid point 782 (385/424) ======================= q-point: (-0.27 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.606 ( -17.874 4.260 -4.821) 18.997 4.078 ( -7.958 14.643 7.249) 18.174 4.677 ( -6.583 6.905 7.717) 12.270 5.332 ( 8.461 -7.997 -2.067) 11.825 5.796 ( -3.536 -22.563 -9.224) 24.631 5.863 ( -2.219 5.481 -2.863) 6.570 7.015 ( 9.533 -14.151 4.265) 17.588 7.341 ( 5.929 -0.221 -1.820) 6.206 7.649 ( -9.489 -7.438 0.982) 12.097 7.840 ( -0.646 -5.179 7.448) 9.095 8.145 ( 3.127 0.540 -8.062) 8.664 8.323 ( 2.094 6.264 0.159) 6.606 8.893 ( 1.455 -3.064 -2.595) 4.270 9.433 ( 0.449 -8.361 5.836) 10.206 9.535 ( -5.981 -2.473 1.527) 6.650 9.871 ( 11.689 -1.757 -2.551) 12.092 56.220 ( -0.269 0.579 -0.015) 0.638 56.547 ( -0.125 0.391 -0.008) 0.410 ======================= Grid point 783 (386/424) ======================= q-point: (-0.20 -0.60 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( -13.600 2.717 -3.475) 14.298 3.791 ( -10.714 11.065 12.341) 19.736 4.469 ( -4.922 12.399 5.087) 14.277 5.471 ( 8.642 0.532 -9.176) 12.617 5.726 ( 2.351 5.224 -1.417) 5.902 6.074 ( -9.723 -15.814 -5.788) 19.445 7.297 ( 5.211 -4.975 4.450) 8.468 7.401 ( 4.586 -2.274 -0.061) 5.119 7.670 ( -5.492 -5.177 1.203) 7.642 7.938 ( -4.373 -3.595 -0.945) 5.740 8.131 ( 2.176 -2.975 -5.208) 6.380 8.325 ( 9.076 1.717 2.947) 9.696 8.948 ( 2.978 -1.922 -3.556) 5.021 9.483 ( -10.722 -2.071 3.555) 11.484 9.660 ( 5.499 -9.266 6.126) 12.394 9.999 ( 8.977 -2.082 -1.863) 9.402 56.208 ( -0.267 0.535 -0.023) 0.598 56.540 ( -0.078 0.348 0.014) 0.357 ======================= Grid point 784 (387/424) ======================= q-point: (-0.13 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -6.625 1.177 3.098) 7.407 3.554 ( -10.349 8.644 12.953) 18.698 4.200 ( -4.442 13.108 1.957) 13.978 5.447 ( 6.664 4.063 -14.399) 16.378 5.714 ( 9.488 5.137 3.997) 11.506 6.147 ( -9.691 -5.110 -4.612) 11.886 7.338 ( 1.689 2.758 2.428) 4.044 7.444 ( -4.495 -3.215 -7.250) 9.116 7.768 ( 2.538 -6.372 3.372) 7.643 7.929 ( -4.702 -2.865 1.396) 5.681 8.272 ( 8.045 -5.073 -4.057) 10.340 8.370 ( 6.353 3.487 4.533) 8.548 9.001 ( 3.939 -2.024 -6.316) 7.714 9.406 ( -13.127 -1.197 2.902) 13.497 9.864 ( 8.889 -1.978 4.962) 10.370 10.131 ( 1.058 -8.849 3.155) 9.454 56.197 ( -0.159 0.436 -0.024) 0.464 56.534 ( 0.021 0.277 0.016) 0.278 ======================= Grid point 785 (388/424) ======================= q-point: (-0.07 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.178 ( -5.443 4.189 11.055) 13.015 3.375 ( -3.378 7.096 4.992) 9.310 3.975 ( -0.047 9.573 3.558) 10.213 5.422 ( 6.592 1.114 -12.393) 14.081 5.693 ( 11.454 10.235 3.351) 15.722 6.073 ( -6.745 2.656 -3.115) 7.890 7.264 ( -2.689 3.064 -1.972) 4.528 7.477 ( -0.970 -5.260 -5.362) 7.573 7.902 ( 0.714 -1.674 -0.425) 1.869 7.970 ( 1.425 -5.806 3.250) 6.805 8.318 ( -1.533 3.963 2.337) 4.849 8.387 ( 9.895 3.160 -2.046) 10.587 9.053 ( 2.214 -2.692 -8.639) 9.315 9.309 ( -11.510 -0.751 2.857) 11.883 9.909 ( 6.735 5.220 2.018) 8.757 10.342 ( -5.750 -13.599 10.008) 17.836 56.190 ( 0.042 0.295 -0.018) 0.298 56.530 ( 0.154 0.185 0.007) 0.241 ======================= Grid point 793 (389/424) ======================= q-point: ( 0.47 0.47 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 0.511 -0.000 -5.506) 5.529 3.927 ( 7.192 -0.000 5.816) 9.249 4.183 ( 19.606 -0.000 9.689) 21.869 4.820 ( 28.474 -0.000 1.754) 28.528 5.334 ( -11.540 0.000 4.980) 12.569 6.000 ( -26.266 0.000 -16.220) 30.870 6.613 ( -2.406 0.000 -2.388) 3.390 6.701 ( -3.911 0.000 -3.062) 4.967 7.348 ( -2.112 0.000 2.151) 3.015 7.761 ( 3.412 -0.000 6.146) 7.030 8.347 ( -1.384 0.000 -2.779) 3.104 8.426 ( 2.628 -0.000 10.594) 10.915 8.568 ( -6.200 0.000 0.849) 6.258 8.798 ( 5.672 -0.000 -4.683) 7.355 9.661 ( 3.029 -0.000 -3.775) 4.840 9.809 ( -0.649 0.000 -0.499) 0.819 56.255 ( 0.253 -0.000 0.024) 0.254 56.573 ( 0.114 -0.000 -0.223) 0.251 ======================= Grid point 794 (390/424) ======================= q-point: (-0.47 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.194 ( -4.345 -19.228 -0.240) 19.714 4.006 ( 5.302 -1.098 2.774) 6.084 4.387 ( 0.982 -8.571 3.129) 9.177 5.023 ( 8.144 -1.643 -3.910) 9.182 5.338 ( 10.523 2.990 12.207) 16.392 5.680 ( -17.674 3.041 -14.051) 22.783 6.641 ( 1.204 -0.985 0.703) 1.707 6.691 ( -3.495 -6.370 -4.380) 8.484 7.321 ( -2.941 0.554 3.358) 4.498 7.828 ( 1.130 -2.617 5.381) 6.089 8.305 ( -2.915 1.931 -2.279) 4.174 8.463 ( -0.862 -1.007 8.374) 8.479 8.575 ( -0.462 -2.947 2.446) 3.857 8.858 ( 4.660 -3.286 -7.058) 9.073 9.645 ( -1.876 1.309 -1.892) 2.969 9.814 ( 5.994 1.876 -3.820) 7.351 56.255 ( 0.009 0.186 0.011) 0.186 56.572 ( -0.041 0.137 -0.150) 0.207 ======================= Grid point 795 (391/424) ======================= q-point: (-0.40 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.591 ( -8.063 -28.876 8.116) 31.060 4.013 ( -7.562 -0.786 -6.845) 10.230 4.534 ( -11.341 -11.724 -2.333) 16.478 5.015 ( -10.746 -2.921 -5.798) 12.555 5.295 ( 10.172 10.206 2.307) 14.593 5.716 ( 13.563 -5.727 2.411) 14.919 6.623 ( 1.113 2.069 0.809) 2.485 6.871 ( 0.801 -13.649 -0.916) 13.704 7.313 ( 0.004 -0.884 1.128) 1.433 7.878 ( -3.542 -1.300 8.715) 9.497 8.226 ( -3.072 2.084 -4.216) 5.617 8.492 ( 0.897 0.213 4.638) 4.729 8.649 ( -0.343 -4.654 1.800) 5.001 8.971 ( 3.598 -7.116 -5.573) 9.728 9.584 ( -3.313 2.023 -0.081) 3.883 9.828 ( 9.348 2.927 -6.129) 11.555 56.249 ( -0.219 0.347 -0.001) 0.410 56.567 ( -0.170 0.249 -0.067) 0.309 ======================= Grid point 796 (392/424) ======================= q-point: (-0.33 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.744 ( -20.105 2.367 -1.555) 20.304 4.169 ( -7.944 -29.375 -1.400) 30.462 4.430 ( -27.392 -1.803 -4.148) 27.763 5.115 ( 4.165 -12.057 1.264) 12.819 5.267 ( 10.248 5.658 0.834) 11.735 5.919 ( 7.164 -2.523 0.014) 7.596 6.656 ( 7.228 -2.995 2.142) 8.112 7.130 ( 1.005 -13.375 0.241) 13.415 7.366 ( 3.461 -3.363 -1.680) 5.110 7.848 ( -7.430 1.878 13.651) 15.655 8.172 ( 0.632 0.430 -8.398) 8.433 8.487 ( 0.399 2.227 0.318) 2.285 8.732 ( -0.179 -4.832 -0.033) 4.835 9.128 ( 1.173 -8.562 -0.293) 8.647 9.525 ( -3.016 1.340 1.560) 3.651 9.870 ( 13.363 1.669 -6.789) 15.081 56.239 ( -0.396 0.455 -0.011) 0.603 56.560 ( -0.250 0.315 0.002) 0.402 ======================= Grid point 797 (393/424) ======================= q-point: (-0.27 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.458 ( -22.523 2.636 -9.595) 24.623 4.088 ( -23.072 4.893 -1.970) 23.667 4.634 ( -8.385 -20.036 8.075) 23.173 5.257 ( 10.561 2.477 3.196) 11.308 5.436 ( 0.159 -17.481 -2.950) 17.729 5.899 ( -4.070 4.280 -3.542) 6.887 6.901 ( 12.470 -11.377 3.607) 17.261 7.329 ( 2.712 -7.397 -0.508) 7.895 7.470 ( 0.087 -5.685 -1.419) 5.860 7.789 ( -5.956 0.343 11.249) 12.734 8.156 ( 1.287 0.896 -9.358) 9.489 8.429 ( 1.708 3.577 -2.819) 4.864 8.820 ( 0.197 -4.807 0.820) 4.880 9.294 ( 0.026 -9.098 5.140) 10.449 9.482 ( -3.574 0.616 1.928) 4.107 9.988 ( 17.607 0.043 -6.596) 18.802 56.226 ( -0.490 0.494 -0.020) 0.696 56.552 ( -0.269 0.329 0.043) 0.427 ======================= Grid point 798 (394/424) ======================= q-point: (-0.20 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.228 ( -16.654 -1.263 -7.013) 18.114 3.798 ( -19.283 4.607 0.606) 19.835 4.687 ( -2.705 8.692 5.044) 10.407 5.422 ( 1.130 -10.911 2.991) 11.370 5.714 ( -0.970 -14.187 -2.080) 14.372 5.758 ( -4.882 2.346 -5.853) 7.975 7.223 ( 7.394 -10.727 4.477) 13.776 7.427 ( 0.388 -0.063 2.151) 2.187 7.556 ( 2.267 -5.597 0.533) 6.062 7.806 ( -5.624 -4.134 2.040) 7.272 8.096 ( -0.265 0.190 -8.206) 8.212 8.430 ( 7.010 0.894 -1.695) 7.268 8.902 ( 0.077 -3.864 1.138) 4.029 9.391 ( -8.167 -0.984 6.498) 10.483 9.543 ( 4.479 -9.387 3.061) 10.842 10.128 ( 17.981 2.000 -5.915) 19.035 56.213 ( -0.481 0.460 -0.027) 0.666 56.544 ( -0.229 0.293 0.054) 0.376 ======================= Grid point 799 (395/424) ======================= q-point: (-0.13 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -7.675 -4.393 -0.296) 8.848 3.574 ( -12.721 3.788 0.841) 13.299 4.427 ( -4.225 15.238 1.096) 15.850 5.503 ( -0.548 1.753 -3.608) 4.049 5.781 ( -1.821 -7.883 5.182) 9.608 5.908 ( -1.140 -9.318 -5.548) 10.905 7.343 ( -4.774 -0.045 -4.072) 6.275 7.426 ( 4.181 1.463 4.560) 6.357 7.710 ( 6.230 -5.183 1.356) 8.217 7.790 ( -8.894 -5.160 1.327) 10.368 8.202 ( 5.666 -8.405 -3.992) 10.894 8.472 ( 4.736 1.028 0.129) 4.848 8.964 ( 0.000 -2.958 -0.101) 2.959 9.323 ( -7.770 0.837 3.778) 8.680 9.794 ( 3.458 -11.892 6.263) 13.878 10.201 ( 15.047 5.848 -4.957) 16.887 56.202 ( -0.365 0.362 -0.028) 0.515 56.538 ( -0.140 0.221 0.043) 0.265 ======================= Grid point 800 (396/424) ======================= q-point: (-0.07 -0.53 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( -0.580 -2.251 4.710) 5.252 3.431 ( -4.775 3.053 -1.299) 5.815 4.150 ( -2.521 11.136 0.584) 11.433 5.444 ( -2.725 1.238 -1.491) 3.344 5.896 ( 3.209 -1.199 5.772) 6.712 5.991 ( -0.979 -3.109 -5.605) 6.484 7.242 ( -6.370 1.721 -7.829) 10.239 7.437 ( 3.961 0.732 0.959) 4.141 7.814 ( -3.746 -5.753 1.447) 7.015 7.898 ( 4.582 -5.470 2.825) 7.674 8.331 ( 0.250 -1.274 -1.853) 2.263 8.502 ( 3.532 -0.556 1.324) 3.813 9.003 ( -0.628 -1.905 -1.234) 2.355 9.254 ( -4.330 0.919 1.845) 4.796 10.032 ( 1.114 -9.193 7.265) 11.770 10.183 ( 8.050 6.284 -2.915) 10.620 56.194 ( -0.159 0.217 -0.023) 0.270 56.534 ( -0.018 0.126 0.019) 0.129 ======================= Grid point 809 (397/424) ======================= q-point: (-0.47 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( -8.732 0.000 2.708) 9.143 4.012 ( 0.482 -0.000 -2.227) 2.278 4.255 ( -14.795 0.000 0.705) 14.812 4.967 ( -13.646 0.000 -9.978) 16.905 5.522 ( 1.851 -0.000 -6.951) 7.193 5.631 ( 20.767 -0.000 12.973) 24.486 6.588 ( 0.973 -0.000 -0.590) 1.138 6.680 ( 2.728 -0.000 -0.551) 2.783 7.296 ( -5.681 0.000 6.490) 8.625 7.820 ( 0.396 -0.000 0.812) 0.903 8.316 ( -0.602 0.000 -0.252) 0.652 8.392 ( -7.701 0.000 7.303) 10.613 8.602 ( 3.847 -0.000 4.686) 6.063 8.848 ( 4.246 -0.000 -9.302) 10.225 9.627 ( -3.449 0.000 -0.267) 3.459 9.892 ( 9.904 -0.000 -8.640) 13.143 56.256 ( -0.236 0.000 0.002) 0.236 56.572 ( -0.192 0.000 -0.072) 0.205 ======================= Grid point 810 (398/424) ======================= q-point: (-0.40 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.055 ( -12.201 -20.293 6.977) 24.685 3.914 ( -15.327 4.215 -7.546) 17.596 4.206 ( -13.490 -11.102 -4.303) 17.993 4.741 ( -26.500 -3.349 -13.240) 29.812 5.547 ( 15.043 4.052 -4.056) 16.098 5.886 ( 21.482 1.683 17.545) 27.787 6.660 ( 1.901 -2.729 -0.748) 3.409 6.725 ( 6.060 -3.634 3.072) 7.705 7.275 ( -4.608 -1.904 5.164) 7.178 7.833 ( -2.060 -1.889 -0.317) 2.813 8.238 ( -4.073 4.134 3.221) 6.637 8.433 ( -2.812 -5.419 1.625) 6.318 8.641 ( 1.851 0.015 5.622) 5.919 8.896 ( 5.141 -3.585 -8.902) 10.888 9.583 ( -3.185 1.258 0.727) 3.501 9.948 ( 11.872 1.737 -11.590) 16.682 56.251 ( -0.462 0.177 -0.007) 0.495 56.568 ( -0.320 0.125 0.011) 0.344 ======================= Grid point 811 (399/424) ======================= q-point: (-0.33 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.427 ( -16.297 -27.494 12.066) 34.163 3.617 ( -23.233 -1.707 -15.943) 28.229 4.154 ( -22.905 -1.770 -9.619) 24.905 4.707 ( -14.804 -20.047 -8.160) 26.223 5.592 ( 16.605 8.196 2.458) 18.680 6.039 ( 11.114 4.413 12.044) 16.972 6.707 ( 7.508 -0.531 1.486) 7.672 6.938 ( 4.050 -10.959 4.342) 12.464 7.314 ( -0.946 -4.173 1.078) 4.412 7.834 ( -3.835 -0.722 2.858) 4.837 8.157 ( -2.219 1.445 0.086) 2.649 8.477 ( -2.550 -1.973 -2.794) 4.266 8.688 ( 2.204 -2.061 3.806) 4.857 9.012 ( 3.924 -6.112 -3.167) 7.924 9.533 ( -2.669 1.735 2.330) 3.945 10.009 ( 15.539 1.265 -12.685) 20.099 56.241 ( -0.635 0.312 -0.015) 0.707 56.562 ( -0.404 0.213 0.074) 0.462 ======================= Grid point 812 (400/424) ======================= q-point: (-0.27 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.221 ( -27.683 1.362 -13.571) 30.860 3.883 ( -25.167 -1.660 -8.562) 26.635 4.012 ( -10.929 -33.468 7.132) 35.922 4.977 ( -12.255 -23.974 -7.289) 27.894 5.586 ( 15.435 10.238 5.523) 19.328 5.983 ( -2.341 8.994 7.122) 11.708 6.865 ( 10.098 -6.344 3.494) 12.427 7.177 ( 2.618 -11.168 3.054) 11.870 7.393 ( 0.631 -4.388 0.123) 4.435 7.804 ( -2.089 1.760 5.181) 5.857 8.143 ( 0.276 -0.245 -5.877) 5.888 8.446 ( -2.546 0.083 -5.270) 5.853 8.776 ( 4.335 -2.862 3.087) 6.043 9.157 ( 1.095 -7.618 3.495) 8.453 9.484 ( -2.860 1.773 3.250) 4.678 10.141 ( 20.756 -0.698 -12.149) 24.060 56.228 ( -0.724 0.379 -0.022) 0.817 56.554 ( -0.431 0.248 0.104) 0.508 ======================= Grid point 813 (401/424) ======================= q-point: (-0.20 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -21.140 -4.517 -11.030) 24.269 3.643 ( -18.555 0.454 -9.382) 20.797 4.483 ( -11.211 -24.376 4.781) 27.254 5.200 ( -12.797 -15.682 -1.919) 20.331 5.608 ( 11.177 1.567 5.643) 12.618 5.778 ( -7.356 8.116 0.556) 10.968 7.096 ( 2.504 -10.524 5.975) 12.358 7.398 ( 4.823 -8.489 1.810) 9.930 7.473 ( 0.673 -3.404 4.126) 5.391 7.778 ( 1.110 2.099 0.156) 2.379 8.084 ( -1.719 2.265 -8.754) 9.204 8.455 ( 2.126 -2.667 -4.513) 5.657 8.869 ( 4.433 -1.485 3.557) 5.874 9.295 ( -5.489 -5.221 10.174) 12.685 9.469 ( 2.345 -3.013 -0.336) 3.833 10.328 ( 23.063 0.440 -10.486) 25.339 56.215 ( -0.708 0.365 -0.027) 0.797 56.546 ( -0.401 0.229 0.099) 0.472 ======================= Grid point 814 (402/424) ======================= q-point: (-0.13 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.937 ( -10.313 -10.393 -4.054) 15.192 3.478 ( -10.191 -0.296 -10.050) 14.316 4.556 ( -10.546 3.685 -3.255) 11.636 5.382 ( -9.464 -15.969 8.499) 20.416 5.582 ( -11.304 1.303 5.662) 12.709 5.786 ( 7.410 -7.624 -6.818) 12.631 7.279 ( -3.372 -6.429 6.112) 9.490 7.495 ( 5.867 0.334 4.308) 7.286 7.612 ( -4.129 -6.396 1.291) 7.722 7.720 ( 2.825 0.731 -2.305) 3.718 8.104 ( 5.010 -5.310 -5.230) 8.980 8.501 ( 1.010 -0.850 -3.106) 3.375 8.929 ( 1.881 -0.954 3.670) 4.233 9.281 ( -6.718 0.032 5.974) 8.990 9.644 ( 4.086 -9.850 2.387) 10.928 10.467 ( 21.595 5.268 -8.663) 23.857 56.203 ( -0.585 0.276 -0.028) 0.647 56.539 ( -0.323 0.163 0.071) 0.369 ======================= Grid point 815 (403/424) ======================= q-point: (-0.07 -0.47 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( -0.715 -11.143 1.480) 11.264 3.403 ( -1.032 -0.583 -11.238) 11.300 4.300 ( -7.550 10.528 -4.462) 13.702 5.401 ( -12.175 0.618 9.042) 15.178 5.682 ( -8.853 -15.289 6.033) 18.669 5.959 ( 6.122 -6.405 -7.813) 11.813 7.249 ( -2.368 5.147 -0.879) 5.734 7.516 ( 1.147 3.278 0.021) 3.473 7.655 ( -2.792 -8.767 3.772) 9.945 7.882 ( 9.126 -5.302 3.160) 11.017 8.251 ( 1.121 -6.847 -2.210) 7.281 8.479 ( -3.903 0.081 -0.151) 3.907 8.969 ( 0.238 -1.590 2.098) 2.643 9.243 ( -2.408 0.460 1.972) 3.146 9.852 ( 0.146 -9.783 3.539) 10.404 10.486 ( 17.408 10.993 -6.697) 21.651 56.194 ( -0.372 0.134 -0.023) 0.396 56.535 ( -0.211 0.067 0.034) 0.223 ======================= Grid point 825 (404/424) ======================= q-point: (-0.40 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -16.345 0.000 9.851) 19.084 3.791 ( -29.071 0.000 -10.499) 30.908 3.921 ( -6.445 0.000 -8.837) 10.937 4.379 ( -31.762 0.000 -16.351) 35.724 5.725 ( 17.737 -0.000 -2.277) 17.883 6.173 ( 18.016 -0.000 24.337) 30.280 6.645 ( 4.282 -0.000 2.185) 4.807 6.789 ( 8.432 -0.000 0.900) 8.479 7.210 ( -7.186 0.000 6.603) 9.759 7.782 ( -2.985 0.000 -4.952) 5.782 8.298 ( -5.432 0.000 3.828) 6.645 8.324 ( 0.428 -0.000 2.722) 2.755 8.657 ( -1.582 0.000 4.373) 4.651 8.905 ( 8.953 -0.000 -8.618) 12.427 9.571 ( -2.722 0.000 1.849) 3.291 10.042 ( 13.366 -0.000 -15.911) 20.780 56.247 ( -0.683 0.000 -0.013) 0.683 56.566 ( -0.452 0.000 0.088) 0.460 ======================= Grid point 826 (405/424) ======================= q-point: (-0.33 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( -18.071 -22.111 12.951) 31.356 3.378 ( -31.330 6.107 -16.990) 36.159 3.882 ( -17.655 -3.095 -12.726) 21.983 4.168 ( -22.343 -15.589 -13.306) 30.319 5.851 ( 14.363 3.993 4.080) 15.456 6.303 ( 8.239 7.200 21.423) 24.056 6.750 ( 6.858 -3.970 2.420) 8.286 6.880 ( 7.055 -1.638 4.547) 8.551 7.216 ( -2.563 -4.924 2.348) 6.027 7.759 ( -3.571 -2.836 -5.496) 7.142 8.201 ( -1.638 4.265 3.257) 5.611 8.391 ( -2.135 -3.603 -0.544) 4.223 8.670 ( -0.215 -2.460 2.246) 3.338 8.998 ( 10.105 -1.672 -3.885) 10.955 9.543 ( -2.719 1.141 4.002) 4.971 10.127 ( 16.416 -0.014 -18.216) 24.522 56.238 ( -0.849 0.152 -0.017) 0.863 56.560 ( -0.541 0.102 0.141) 0.568 ======================= Grid point 827 (406/424) ======================= q-point: (-0.27 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.920 ( -32.515 1.635 -14.669) 35.708 3.240 ( -16.721 -34.154 8.794) 39.031 3.667 ( -19.243 -1.105 -14.576) 24.166 4.357 ( -16.485 -25.970 -11.701) 32.911 5.869 ( 7.465 7.239 8.284) 13.295 6.200 ( -3.132 12.726 16.577) 21.132 6.877 ( 6.017 -1.704 2.498) 6.735 7.031 ( 2.901 -8.906 5.935) 11.089 7.334 ( 6.215 -5.659 -1.111) 8.479 7.781 ( -1.842 -3.504 -2.979) 4.954 8.151 ( 0.971 1.938 -1.090) 2.426 8.385 ( -4.666 -0.605 -3.524) 5.879 8.770 ( 5.518 -5.208 2.073) 7.866 9.114 ( 7.957 -1.869 1.893) 8.390 9.501 ( -3.640 1.951 5.999) 7.284 10.273 ( 21.731 -2.324 -18.174) 28.424 56.226 ( -0.935 0.246 -0.021) 0.967 56.553 ( -0.578 0.160 0.155) 0.620 ======================= Grid point 828 (407/424) ======================= q-point: (-0.20 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -26.348 -5.667 -13.283) 30.046 3.427 ( -14.487 -3.377 -16.946) 22.549 3.841 ( -11.959 -34.938 9.700) 38.180 4.634 ( -17.723 -26.270 -10.821) 33.486 5.809 ( 1.928 6.282 8.059) 10.398 5.923 ( -9.955 15.042 12.439) 21.911 6.955 ( -2.762 -5.472 4.209) 7.436 7.265 ( 5.623 -10.580 4.694) 12.868 7.498 ( 10.651 -2.671 1.050) 11.031 7.809 ( -0.159 -0.511 -3.137) 3.183 8.101 ( 0.032 2.960 -6.121) 6.799 8.367 ( -2.992 -3.934 -3.460) 6.033 8.939 ( 11.306 -2.722 2.303) 11.855 9.213 ( 0.559 -1.911 10.492) 10.679 9.455 ( -1.550 0.183 2.021) 2.553 10.499 ( 25.290 -2.768 -16.061) 30.087 56.212 ( -0.918 0.258 -0.025) 0.954 56.545 ( -0.561 0.163 0.132) 0.599 ======================= Grid point 829 (408/424) ======================= q-point: (-0.13 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -14.377 -14.736 -5.675) 21.355 3.332 ( -4.791 -3.028 -19.766) 20.563 4.282 ( -11.683 -20.733 1.141) 23.825 4.888 ( -17.643 -25.098 -2.381) 30.771 5.603 ( -13.735 10.704 10.383) 20.274 5.773 ( 0.524 0.110 4.471) 4.503 7.072 ( -5.383 -10.589 6.251) 13.423 7.508 ( 5.228 -7.520 3.097) 9.668 7.601 ( 8.007 2.213 3.149) 8.884 7.739 ( -3.168 2.093 -5.038) 6.309 8.103 ( 7.815 -0.956 -3.561) 8.641 8.423 ( -2.988 -5.297 -3.910) 7.230 9.037 ( 10.054 5.512 5.254) 12.613 9.224 ( -7.183 -1.480 9.889) 12.312 9.539 ( 4.607 -7.001 -0.771) 8.416 10.714 ( 24.419 1.305 -13.427) 27.897 56.200 ( -0.792 0.186 -0.025) 0.814 56.538 ( -0.495 0.111 0.087) 0.515 ======================= Grid point 830 (409/424) ======================= q-point: (-0.07 -0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -3.420 -18.778 1.189) 19.124 3.335 ( 4.972 -3.802 -21.208) 22.112 4.303 ( -11.648 1.047 -8.633) 14.537 5.180 ( -17.504 -20.135 11.121) 28.905 5.390 ( -12.884 -0.739 9.258) 15.883 5.853 ( 1.532 -7.225 -3.144) 8.027 7.237 ( -4.694 -8.941 8.046) 12.912 7.478 ( -4.179 3.119 -7.907) 9.471 7.643 ( 6.020 1.403 4.696) 7.763 7.860 ( 8.185 -8.407 5.163) 12.818 8.197 ( 6.541 -1.336 -2.339) 7.074 8.432 ( -5.948 -0.859 -1.962) 6.321 8.994 ( -0.562 3.956 7.410) 8.418 9.239 ( 2.155 -0.549 1.106) 2.484 9.717 ( 2.606 -7.992 0.857) 8.449 10.810 ( 19.742 7.976 -10.881) 23.911 56.191 ( -0.574 0.051 -0.021) 0.577 56.533 ( -0.389 0.019 0.038) 0.391 ======================= Grid point 841 (410/424) ======================= q-point: (-0.33 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -21.503 0.000 15.464) 26.486 3.071 ( -37.197 0.000 -19.784) 42.131 3.686 ( -11.412 0.000 -12.777) 17.131 3.733 ( -24.900 0.000 -17.262) 30.298 6.016 ( 5.395 -0.000 13.795) 14.812 6.490 ( 0.952 -0.000 21.999) 22.020 6.765 ( 6.385 -0.000 3.984) 7.526 6.992 ( 11.809 -0.000 1.755) 11.938 7.144 ( 0.013 -0.000 0.354) 0.354 7.667 ( -4.915 0.000 -7.883) 9.290 8.234 ( -2.136 0.000 -2.288) 3.130 8.349 ( 0.049 -0.000 3.303) 3.304 8.648 ( 2.005 -0.000 0.010) 2.005 9.096 ( 14.014 -0.000 -1.679) 14.114 9.541 ( -3.391 0.000 7.093) 7.862 10.226 ( 18.120 -0.000 -21.854) 28.389 56.231 ( -1.009 0.000 -0.019) 1.009 56.556 ( -0.639 0.000 0.180) 0.664 ======================= Grid point 842 (411/424) ======================= q-point: (-0.27 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -23.147 -20.562 14.857) 34.341 2.619 ( -34.665 -1.235 -17.411) 38.811 3.443 ( -15.672 0.388 -20.019) 25.427 3.747 ( -16.272 -19.497 -13.727) 28.867 6.007 ( -10.468 3.441 21.838) 24.461 6.416 ( -5.431 11.084 15.503) 19.817 6.908 ( 6.721 -4.761 3.616) 8.995 7.019 ( 7.304 3.674 1.471) 8.307 7.298 ( 12.086 -8.116 -1.480) 14.633 7.648 ( -4.266 -5.429 -7.006) 9.836 8.188 ( -1.064 1.722 -4.076) 4.551 8.347 ( -2.304 0.906 0.914) 2.639 8.735 ( 7.817 -4.620 -0.161) 9.081 9.230 ( 15.292 0.720 0.762) 15.328 9.517 ( -4.649 1.600 11.416) 12.430 10.372 ( 22.219 -2.796 -22.817) 31.971 56.219 ( -1.091 0.114 -0.020) 1.097 56.549 ( -0.687 0.073 0.178) 0.713 ======================= Grid point 843 (412/424) ======================= q-point: (-0.20 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -30.802 -3.876 -12.600) 33.505 2.984 ( -14.993 -34.086 8.377) 38.169 3.309 ( -8.338 -7.184 -17.945) 21.051 3.958 ( -17.764 -25.729 -13.700) 34.135 5.862 ( -19.894 2.872 22.951) 30.509 6.124 ( -12.472 15.585 10.679) 22.638 6.938 ( 4.813 2.938 -2.530) 6.180 7.182 ( 9.174 -8.083 6.014) 13.625 7.557 ( 15.015 -5.071 -0.100) 15.848 7.715 ( -2.795 -6.601 -6.335) 9.567 8.123 ( -2.561 1.820 -5.878) 6.665 8.299 ( -2.079 0.666 -0.286) 2.201 8.936 ( 9.834 -7.485 1.266) 12.424 9.353 ( 15.641 3.165 4.574) 16.600 9.456 ( -5.862 3.096 11.718) 13.463 10.615 ( 26.190 -5.327 -21.179) 34.101 56.207 ( -1.078 0.155 -0.023) 1.089 56.542 ( -0.683 0.100 0.138) 0.704 ======================= Grid point 844 (413/424) ======================= q-point: (-0.13 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -17.766 -15.659 -3.781) 23.982 3.175 ( 1.479 -5.764 -26.268) 26.934 3.686 ( -10.045 -35.200 9.817) 37.898 4.212 ( -19.496 -27.174 -11.999) 35.532 5.685 ( -22.038 4.414 18.434) 29.068 5.754 ( -15.470 9.241 10.133) 20.673 6.960 ( 4.929 -1.095 -1.301) 5.214 7.441 ( 8.824 -8.820 5.476) 13.625 7.701 ( -6.019 1.553 -9.798) 11.603 7.726 ( 10.476 -0.260 3.238) 10.968 8.123 ( 2.386 -4.208 -1.601) 5.095 8.304 ( 0.091 -2.326 -2.964) 3.769 9.136 ( 1.300 -5.452 5.405) 7.786 9.336 ( 6.721 11.057 15.822) 20.440 9.486 ( 7.782 -3.048 -2.756) 8.800 10.890 ( 25.879 -3.037 -18.446) 31.925 56.194 ( -0.959 0.105 -0.023) 0.965 56.534 ( -0.628 0.071 0.078) 0.637 ======================= Grid point 845 (414/424) ======================= q-point: (-0.07 -0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -5.302 -23.150 3.899) 24.067 3.253 ( 11.082 -5.624 -28.789) 31.357 4.057 ( -10.867 -13.990 -5.567) 18.569 4.547 ( -17.727 -32.549 2.416) 37.142 5.367 ( -17.949 8.504 13.552) 24.045 5.676 ( -14.340 -8.279 9.926) 19.305 7.061 ( 2.407 -6.104 2.141) 6.902 7.506 ( -2.890 4.508 -10.071) 11.406 7.718 ( 6.135 -4.556 4.443) 8.839 7.822 ( 7.183 -2.137 6.038) 9.624 8.237 ( 2.394 -4.702 0.077) 5.277 8.339 ( 1.180 -1.175 -4.547) 4.843 9.083 ( -11.483 5.467 14.923) 19.607 9.352 ( 16.755 5.049 1.437) 17.558 9.624 ( 5.257 -5.709 -0.912) 7.814 11.064 ( 20.585 3.442 -15.659) 26.092 56.185 ( -0.742 -0.020 -0.020) 0.743 56.528 ( -0.528 -0.011 0.021) 0.528 ======================= Grid point 857 (415/424) ======================= q-point: (-0.27 -0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -23.661 0.000 19.379) 30.584 2.231 ( -38.476 0.000 -15.490) 41.478 3.275 ( -10.352 0.000 -24.560) 26.652 3.362 ( -14.182 0.000 -14.447) 20.244 5.910 ( -29.197 0.000 29.465) 41.481 6.515 ( -10.195 0.000 11.149) 15.107 6.924 ( 7.558 -0.000 5.195) 9.171 7.234 ( 12.367 -0.000 1.183) 12.423 7.286 ( 17.618 -0.000 -2.808) 17.841 7.520 ( -5.442 0.000 -8.052) 9.718 8.162 ( -3.211 0.000 -6.978) 7.682 8.354 ( -1.287 0.000 2.286) 2.624 8.784 ( 11.783 -0.000 -1.782) 11.917 9.376 ( 11.713 -0.000 -4.162) 12.431 9.556 ( 2.290 -0.000 21.583) 21.704 10.490 ( 24.128 -0.000 -24.502) 34.388 56.210 ( -1.170 0.000 -0.022) 1.170 56.544 ( -0.746 0.000 0.162) 0.763 ======================= Grid point 858 (416/424) ======================= q-point: (-0.20 -0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -31.565 -0.867 -6.398) 32.218 2.254 ( -19.805 -29.644 18.471) 40.152 3.137 ( -1.025 -1.335 -28.771) 28.821 3.365 ( -15.526 -17.503 -14.455) 27.502 5.678 ( -36.828 -0.350 30.633) 47.904 6.274 ( -17.094 12.650 5.365) 21.932 7.047 ( 7.776 -1.145 2.009) 8.112 7.250 ( 14.196 3.969 2.065) 14.884 7.512 ( -4.357 -6.855 -7.875) 11.313 7.607 ( 17.671 -8.098 1.806) 19.522 8.093 ( -4.495 1.306 -7.352) 8.715 8.322 ( -1.260 2.000 1.486) 2.791 8.928 ( 10.555 -3.965 -0.683) 11.295 9.407 ( -2.114 -0.386 -0.023) 2.149 9.685 ( 18.412 4.998 20.387) 27.921 10.706 ( 27.101 -4.721 -23.594) 36.241 56.198 ( -1.162 0.066 -0.024) 1.164 56.537 ( -0.753 0.044 0.109) 0.762 ======================= Grid point 859 (417/424) ======================= q-point: (-0.13 -0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( -17.427 -11.646 4.603) 21.460 2.802 ( -9.247 -38.224 8.771) 40.293 3.160 ( 6.340 -9.037 -26.064) 28.306 3.547 ( -17.011 -23.639 -13.395) 32.056 5.435 ( -38.708 -3.330 30.108) 49.152 5.859 ( -18.855 14.577 2.257) 23.939 7.087 ( 11.073 4.782 -1.998) 12.226 7.414 ( 10.960 -5.523 5.280) 13.360 7.575 ( -5.382 -6.454 -9.657) 12.802 7.812 ( 6.421 -0.678 0.008) 6.457 8.048 ( 1.139 -1.745 -0.786) 2.227 8.313 ( 3.195 -0.491 0.161) 3.237 9.076 ( 1.054 -3.943 5.377) 6.750 9.396 ( -2.018 -1.747 1.566) 3.095 9.797 ( 23.188 10.661 14.526) 29.366 11.000 ( 27.025 -5.592 -21.770) 35.150 56.186 ( -1.056 0.046 -0.023) 1.057 56.529 ( -0.710 0.038 0.037) 0.712 ======================= Grid point 860 (418/424) ======================= q-point: (-0.07 -0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -4.094 -22.094 11.587) 25.282 3.184 ( 16.354 -8.177 -31.269) 36.222 3.587 ( -5.111 -31.593 6.142) 32.587 3.784 ( -18.608 -28.982 -10.073) 35.884 5.253 ( -35.694 -5.918 27.678) 45.554 5.482 ( -16.339 7.315 2.608) 18.091 7.112 ( 10.355 3.207 -1.000) 10.886 7.508 ( -2.267 1.648 -11.626) 11.959 7.654 ( 5.374 -7.574 4.602) 10.365 7.894 ( 4.656 -3.263 2.422) 6.180 8.103 ( -1.121 -3.185 1.223) 3.592 8.391 ( 8.047 -1.067 -1.038) 8.184 9.066 ( -11.411 1.758 12.158) 16.766 9.476 ( 4.186 -4.986 -0.435) 6.525 9.831 ( 22.583 13.126 8.535) 27.480 11.233 ( 21.113 -0.498 -19.732) 28.902 56.177 ( -0.849 -0.064 -0.019) 0.851 56.523 ( -0.613 -0.025 -0.024) 0.614 ======================= Grid point 873 (419/424) ======================= q-point: (-0.20 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -22.089 0.000 9.878) 24.197 1.812 ( -22.352 0.000 21.353) 30.912 3.001 ( -14.914 0.000 -14.611) 20.878 3.084 ( 8.129 -0.000 -33.718) 34.684 5.378 ( -43.697 0.000 33.020) 54.770 6.208 ( -22.770 0.000 -2.926) 22.957 7.104 ( 8.002 -0.000 5.932) 9.961 7.347 ( -3.542 0.000 -9.066) 9.733 7.489 ( 9.308 -0.000 2.263) 9.579 7.707 ( 20.732 -0.000 5.708) 21.503 8.049 ( -1.978 0.000 -7.767) 8.015 8.324 ( -2.846 0.000 0.734) 2.939 8.985 ( 8.183 -0.000 -0.544) 8.201 9.371 ( -4.745 0.000 1.641) 5.020 9.999 ( 25.101 -0.000 19.928) 32.050 10.856 ( 28.662 -0.000 -22.480) 36.426 56.187 ( -1.158 0.000 -0.030) 1.158 56.530 ( -0.772 0.000 0.048) 0.773 ======================= Grid point 874 (420/424) ======================= q-point: (-0.13 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -8.572 -2.065 22.513) 24.178 2.038 ( -13.560 -34.760 19.914) 42.293 2.975 ( -11.596 -15.495 -15.399) 24.732 3.126 ( 14.075 -3.337 -34.027) 36.974 5.068 ( -45.781 -2.515 34.081) 57.130 5.874 ( -23.219 9.286 -7.331) 26.060 7.220 ( 8.033 -0.753 3.041) 8.622 7.352 ( -4.078 -8.150 -7.068) 11.533 7.531 ( 11.048 4.029 1.711) 11.884 7.831 ( -1.797 1.261 -1.123) 2.466 8.099 ( 12.636 -1.210 2.723) 12.982 8.309 ( -0.438 -1.787 0.340) 1.872 9.049 ( -0.437 -1.309 4.442) 4.652 9.348 ( -1.395 -1.524 -1.031) 2.309 10.244 ( 26.573 6.869 18.393) 33.040 11.108 ( 28.330 -3.973 -21.142) 35.572 56.176 ( -1.064 0.011 -0.032) 1.064 56.523 ( -0.737 0.012 -0.025) 0.737 ======================= Grid point 875 (421/424) ======================= q-point: (-0.07 -0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 1.578 -12.909 24.904) 28.096 2.728 ( -5.120 -44.167 10.680) 45.728 3.191 ( -9.921 -22.283 -9.744) 26.266 3.260 ( 19.384 -5.088 -33.228) 38.804 4.824 ( -43.506 -7.449 33.381) 55.340 5.472 ( -19.966 9.100 -7.304) 23.126 7.272 ( 6.499 2.154 -0.144) 6.848 7.441 ( 0.494 -3.970 -9.764) 10.552 7.623 ( 6.303 -2.347 3.126) 7.417 7.796 ( -0.910 -4.487 -0.417) 4.597 8.174 ( 4.912 3.143 5.546) 8.048 8.414 ( 6.642 -4.057 1.429) 7.914 9.020 ( -9.541 1.134 8.698) 12.960 9.411 ( 3.110 -4.788 -2.970) 6.436 10.346 ( 24.408 14.084 14.987) 31.917 11.351 ( 21.939 -1.791 -20.744) 30.246 56.167 ( -0.869 -0.072 -0.022) 0.872 56.516 ( -0.638 -0.028 -0.082) 0.644 ======================= Grid point 889 (422/424) ======================= q-point: (-0.13 -0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -17.326 0.000 20.931) 27.172 1.659 ( 11.969 -0.000 42.174) 43.839 2.650 ( -13.128 0.000 -13.762) 19.019 3.185 ( 23.447 -0.000 -38.413) 45.004 4.700 ( -47.813 0.000 36.159) 59.947 5.688 ( -25.333 0.000 -16.396) 30.176 7.216 ( -4.428 0.000 -6.823) 8.134 7.289 ( 7.790 -0.000 5.788) 9.705 7.675 ( 8.252 -0.000 1.118) 8.327 7.813 ( -4.221 0.000 -1.977) 4.661 8.248 ( 15.941 -0.000 7.774) 17.736 8.258 ( -4.072 0.000 -0.725) 4.136 9.031 ( -4.596 0.000 4.840) 6.675 9.324 ( 1.491 -0.000 -3.788) 4.071 10.615 ( 26.368 -0.000 19.280) 32.665 11.286 ( 28.107 -0.000 -18.419) 33.604 56.167 ( -0.976 0.000 -0.041) 0.977 56.516 ( -0.703 0.000 -0.088) 0.708 ======================= Grid point 890 (423/424) ======================= q-point: (-0.07 -0.13 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 788 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -2.638 -9.790 27.764) 29.558 2.083 ( 7.476 -22.162 24.632) 33.968 2.709 ( -6.585 -20.089 -4.607) 21.637 3.328 ( 25.094 -1.585 -35.560) 43.551 4.398 ( -44.258 -4.349 35.225) 56.732 5.352 ( -23.145 4.497 -19.682) 30.713 7.209 ( -3.603 -4.981 -6.539) 8.975 7.414 ( 7.212 -3.627 4.262) 9.129 7.715 ( 6.821 3.098 0.942) 7.550 7.763 ( -0.061 0.484 -1.184) 1.280 8.227 ( -2.343 -0.803 0.842) 2.616 8.423 ( 7.476 -2.769 8.752) 11.839 8.983 ( -6.057 1.074 3.724) 7.191 9.360 ( 2.867 -2.819 -4.165) 5.789 10.824 ( 22.160 8.758 17.927) 29.819 11.487 ( 22.150 0.028 -17.997) 28.540 56.158 ( -0.788 -0.050 -0.029) 0.790 56.509 ( -0.593 -0.023 -0.128) 0.607 ======================= Grid point 905 (424/424) ======================= q-point: (-0.07 -0.07 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 2.98e-04 2.98e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -9.444 0.000 18.057) 20.378 2.330 ( 26.722 -0.000 47.415) 54.427 2.372 ( -7.805 0.000 -12.209) 14.491 3.439 ( 16.541 -0.000 -23.344) 28.610 4.072 ( -32.785 0.000 27.366) 42.705 5.097 ( -22.550 0.000 -28.993) 36.730 7.111 ( -3.223 0.000 -4.192) 5.287 7.456 ( 6.330 -0.000 4.856) 7.978 7.773 ( 1.392 -0.000 -0.514) 1.484 7.802 ( 4.834 -0.000 -0.018) 4.834 8.170 ( -4.200 0.000 -1.367) 4.417 8.481 ( 2.422 -0.000 11.728) 11.976 8.965 ( -1.157 0.000 -0.811) 1.413 9.346 ( 1.993 -0.000 -3.894) 4.375 11.141 ( 16.233 -0.000 18.482) 24.599 11.642 ( 17.903 -0.000 -15.591) 23.740 56.151 ( -0.598 0.000 -0.024) 0.599 56.504 ( -0.457 0.000 -0.143) 0.479 =================== 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 3/28350 10.0 194.428 47.573 98.760 -0.000 -49.948 -0.000 3/28350 20.0 95.660 56.725 67.068 -0.000 -31.411 -0.000 3/28350 30.0 66.434 43.094 48.209 -0.000 -22.960 -0.000 3/28350 40.0 48.724 32.427 35.094 -0.000 -16.212 -0.000 3/28350 50.0 37.043 25.107 26.504 -0.000 -11.720 -0.000 3/28350 60.0 29.122 20.066 20.784 -0.000 -8.809 -0.000 3/28350 70.0 23.656 16.534 16.882 -0.000 -6.893 -0.000 3/28350 80.0 19.794 13.995 14.141 -0.000 -5.595 -0.000 3/28350 90.0 16.987 12.115 12.152 -0.000 -4.682 -0.000 3/28350 100.0 14.883 10.682 10.662 -0.000 -4.017 -0.000 3/28350 110.0 13.259 9.560 9.511 -0.000 -3.516 -0.000 3/28350 120.0 11.972 8.658 8.598 -0.000 -3.128 -0.000 3/28350 130.0 10.928 7.919 7.855 -0.000 -2.820 -0.000 3/28350 140.0 10.063 7.301 7.240 -0.000 -2.569 -0.000 3/28350 150.0 9.334 6.778 6.720 -0.000 -2.361 -0.000 3/28350 160.0 8.710 6.327 6.275 -0.000 -2.186 -0.000 3/28350 170.0 8.170 5.935 5.888 -0.000 -2.036 -0.000 3/28350 180.0 7.696 5.591 5.550 -0.000 -1.906 -0.000 3/28350 190.0 7.278 5.286 5.249 -0.000 -1.793 -0.000 3/28350 200.0 6.904 5.013 4.982 -0.000 -1.693 -0.000 3/28350 210.0 6.569 4.768 4.741 -0.000 -1.605 -0.000 3/28350 220.0 6.266 4.547 4.523 -0.000 -1.525 -0.000 3/28350 230.0 5.991 4.345 4.325 -0.000 -1.453 -0.000 3/28350 240.0 5.740 4.161 4.144 -0.000 -1.388 -0.000 3/28350 250.0 5.510 3.993 3.978 -0.000 -1.329 -0.000 3/28350 260.0 5.299 3.837 3.825 -0.000 -1.275 -0.000 3/28350 270.0 5.103 3.694 3.684 -0.000 -1.225 -0.000 3/28350 280.0 4.923 3.561 3.553 -0.000 -1.179 -0.000 3/28350 290.0 4.755 3.437 3.431 -0.000 -1.137 -0.000 3/28350 300.0 4.599 3.322 3.317 -0.000 -1.097 -0.000 3/28350 310.0 4.453 3.214 3.211 -0.000 -1.060 -0.000 3/28350 320.0 4.317 3.113 3.111 -0.000 -1.026 -0.000 3/28350 330.0 4.190 3.019 3.017 -0.000 -0.994 -0.000 3/28350 340.0 4.070 2.930 2.929 -0.000 -0.964 -0.000 3/28350 350.0 3.958 2.846 2.846 -0.000 -0.935 -0.000 3/28350 360.0 3.852 2.767 2.768 -0.000 -0.909 -0.000 3/28350 370.0 3.752 2.692 2.693 -0.000 -0.883 -0.000 3/28350 380.0 3.658 2.621 2.623 -0.000 -0.860 -0.000 3/28350 390.0 3.569 2.554 2.556 -0.000 -0.837 -0.000 3/28350 400.0 3.484 2.490 2.493 -0.000 -0.816 -0.000 3/28350 410.0 3.404 2.429 2.433 -0.000 -0.795 -0.000 3/28350 420.0 3.328 2.371 2.375 -0.000 -0.776 -0.000 3/28350 430.0 3.256 2.316 2.320 -0.000 -0.758 -0.000 3/28350 440.0 3.187 2.263 2.268 -0.000 -0.740 -0.000 3/28350 450.0 3.122 2.213 2.218 -0.000 -0.723 -0.000 3/28350 460.0 3.059 2.165 2.170 -0.000 -0.707 -0.000 3/28350 470.0 2.999 2.119 2.125 -0.000 -0.692 -0.000 3/28350 480.0 2.942 2.075 2.081 -0.000 -0.677 -0.000 3/28350 490.0 2.888 2.033 2.038 -0.000 -0.663 -0.000 3/28350 500.0 2.835 1.992 1.998 -0.000 -0.650 -0.000 3/28350 510.0 2.785 1.953 1.959 -0.000 -0.637 -0.000 3/28350 520.0 2.737 1.915 1.922 -0.000 -0.625 -0.000 3/28350 530.0 2.690 1.879 1.886 -0.000 -0.613 -0.000 3/28350 540.0 2.646 1.845 1.851 -0.000 -0.601 -0.000 3/28350 550.0 2.603 1.811 1.818 -0.000 -0.590 -0.000 3/28350 560.0 2.561 1.779 1.786 -0.000 -0.580 -0.000 3/28350 570.0 2.521 1.748 1.755 -0.000 -0.569 -0.000 3/28350 580.0 2.483 1.718 1.724 -0.000 -0.559 -0.000 3/28350 590.0 2.446 1.689 1.695 -0.000 -0.550 -0.000 3/28350 600.0 2.410 1.660 1.667 -0.000 -0.541 -0.000 3/28350 610.0 2.375 1.633 1.640 -0.000 -0.532 -0.000 3/28350 620.0 2.341 1.607 1.614 -0.000 -0.523 -0.000 3/28350 630.0 2.309 1.581 1.589 -0.000 -0.515 -0.000 3/28350 640.0 2.277 1.557 1.564 -0.000 -0.506 -0.000 3/28350 650.0 2.246 1.533 1.540 -0.000 -0.499 -0.000 3/28350 660.0 2.216 1.510 1.517 -0.000 -0.491 -0.000 3/28350 670.0 2.187 1.487 1.494 -0.000 -0.484 -0.000 3/28350 680.0 2.159 1.465 1.473 -0.000 -0.476 -0.000 3/28350 690.0 2.132 1.444 1.451 -0.000 -0.469 -0.000 3/28350 700.0 2.105 1.424 1.431 -0.000 -0.463 -0.000 3/28350 710.0 2.079 1.404 1.411 -0.000 -0.456 -0.000 3/28350 720.0 2.054 1.384 1.391 -0.000 -0.450 -0.000 3/28350 730.0 2.030 1.365 1.372 -0.000 -0.444 -0.000 3/28350 740.0 2.006 1.347 1.354 -0.000 -0.438 -0.000 3/28350 750.0 1.982 1.329 1.336 -0.000 -0.432 -0.000 3/28350 760.0 1.960 1.311 1.319 -0.000 -0.426 -0.000 3/28350 770.0 1.937 1.294 1.302 -0.000 -0.420 -0.000 3/28350 780.0 1.916 1.278 1.285 -0.000 -0.415 -0.000 3/28350 790.0 1.895 1.262 1.269 -0.000 -0.410 -0.000 3/28350 800.0 1.874 1.246 1.253 -0.000 -0.404 -0.000 3/28350 810.0 1.854 1.231 1.238 -0.000 -0.399 -0.000 3/28350 820.0 1.834 1.216 1.223 -0.000 -0.395 -0.000 3/28350 830.0 1.814 1.201 1.208 -0.000 -0.390 -0.000 3/28350 840.0 1.796 1.187 1.194 -0.000 -0.385 -0.000 3/28350 850.0 1.777 1.173 1.180 -0.000 -0.381 -0.000 3/28350 860.0 1.759 1.159 1.166 -0.000 -0.376 -0.000 3/28350 870.0 1.741 1.146 1.153 -0.000 -0.372 -0.000 3/28350 880.0 1.724 1.133 1.140 -0.000 -0.368 -0.000 3/28350 890.0 1.707 1.120 1.127 -0.000 -0.363 -0.000 3/28350 900.0 1.690 1.108 1.115 -0.000 -0.359 -0.000 3/28350 910.0 1.674 1.096 1.103 -0.000 -0.355 -0.000 3/28350 920.0 1.658 1.084 1.091 -0.000 -0.351 -0.000 3/28350 930.0 1.642 1.072 1.079 -0.000 -0.348 -0.000 3/28350 940.0 1.626 1.061 1.068 -0.000 -0.344 -0.000 3/28350 950.0 1.611 1.049 1.056 -0.000 -0.340 -0.000 3/28350 960.0 1.596 1.039 1.045 -0.000 -0.337 -0.000 3/28350 970.0 1.582 1.028 1.035 -0.000 -0.333 -0.000 3/28350 980.0 1.568 1.017 1.024 -0.000 -0.330 -0.000 3/28350 990.0 1.554 1.007 1.014 -0.000 -0.327 -0.000 3/28350 1000.0 1.540 0.997 1.004 -0.000 -0.323 -0.000 3/28350 Thermal conductivity related properties were written into "kappa-m15157.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:44:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|