----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:44:49]------------------------- 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: [3 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.104912490631873 0.000000000000000 0.000000000000000 b 0.000000000000000 5.421758820000000 0.000000000000000 c -0.619308549442115 0.000000000000000 5.249863184766443 Atomic positions (fractional): *1 O 0.24970539777841 0.08046779495286 0.59910249531226 15.999 2 O 0.75029460222159 0.08046779495286 0.90089750468774 15.999 3 O 0.75029460222159 0.91953220504714 0.40089750468774 15.999 4 O 0.24970539777841 0.91953220504714 0.09910249531225 15.999 *5 O 0.26686201993272 0.56097978017028 0.49196366356992 15.999 6 O 0.73313798006728 0.56097978017028 0.00803633643008 15.999 7 O 0.73313798006728 0.43902021982972 0.50803633643008 15.999 8 O 0.26686201993272 0.43902021982972 0.99196366356992 15.999 *9 Y 0.00000000000000 0.76586508846760 0.75000000000000 88.906 10 Y 0.00000000000000 0.23413491153240 0.25000000000000 88.906 *11 Ta 0.50000000000000 0.30550461836177 0.75000000000000 180.948 12 Ta 0.50000000000000 0.69449538163823 0.25000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.104912490631873 0.000000000000000 0.000000000000000 b 0.000000000000000 5.421758820000000 0.000000000000000 c -0.619308549442115 0.000000000000000 5.249863184766443 Atomic positions (fractional): *1 O 0.24970539777841 0.08046779495286 0.59910249531226 15.999 > 1 2 O 0.75029460222159 0.08046779495286 0.90089750468774 15.999 > 2 3 O 0.75029460222159 0.91953220504714 0.40089750468774 15.999 > 3 4 O 0.24970539777841 0.91953220504714 0.09910249531225 15.999 > 4 *5 O 0.26686201993272 0.56097978017028 0.49196366356992 15.999 > 5 6 O 0.73313798006728 0.56097978017028 0.00803633643008 15.999 > 6 7 O 0.73313798006728 0.43902021982972 0.50803633643008 15.999 > 7 8 O 0.26686201993272 0.43902021982972 0.99196366356992 15.999 > 8 *9 Y 0.00000000000000 0.76586508846760 0.75000000000000 88.906 > 9 10 Y 0.00000000000000 0.23413491153240 0.25000000000000 88.906 > 10 *11 Ta 0.50000000000000 0.30550461836177 0.75000000000000 180.948 > 11 12 Ta 0.50000000000000 0.69449538163823 0.25000000000000 180.948 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.314737471895619 0.000000000000000 0.000000000000000 b 0.000000000000000 10.843517640000000 0.000000000000000 c -1.238617098884230 0.000000000000000 10.499726369532887 Atomic positions (fractional): *1 O 0.08323513259280 0.04023389747643 0.29955124765613 15.999 > 1 2 O 0.41656846592614 0.04023389747643 0.29955124765613 15.999 > 1 3 O 0.74990179925947 0.04023389747643 0.29955124765613 15.999 > 1 4 O 0.08323513259280 0.54023389747643 0.29955124765613 15.999 > 1 5 O 0.41656846592614 0.54023389747643 0.29955124765613 15.999 > 1 6 O 0.74990179925947 0.54023389747643 0.29955124765613 15.999 > 1 7 O 0.08323513259280 0.04023389747643 0.79955124765613 15.999 > 1 8 O 0.41656846592614 0.04023389747643 0.79955124765613 15.999 > 1 9 O 0.74990179925947 0.04023389747643 0.79955124765613 15.999 > 1 10 O 0.08323513259280 0.54023389747643 0.79955124765613 15.999 > 1 11 O 0.41656846592614 0.54023389747643 0.79955124765613 15.999 > 1 12 O 0.74990179925947 0.54023389747643 0.79955124765613 15.999 > 1 13 O 0.25009820074053 0.04023389747643 0.45044875234387 15.999 > 2 14 O 0.58343153407386 0.04023389747643 0.45044875234387 15.999 > 2 15 O 0.91676486740720 0.04023389747643 0.45044875234387 15.999 > 2 16 O 0.25009820074053 0.54023389747643 0.45044875234387 15.999 > 2 17 O 0.58343153407386 0.54023389747643 0.45044875234387 15.999 > 2 18 O 0.91676486740720 0.54023389747643 0.45044875234387 15.999 > 2 19 O 0.25009820074053 0.04023389747643 0.95044875234387 15.999 > 2 20 O 0.58343153407386 0.04023389747643 0.95044875234387 15.999 > 2 21 O 0.91676486740720 0.04023389747643 0.95044875234387 15.999 > 2 22 O 0.25009820074053 0.54023389747643 0.95044875234387 15.999 > 2 23 O 0.58343153407386 0.54023389747643 0.95044875234387 15.999 > 2 24 O 0.91676486740720 0.54023389747643 0.95044875234387 15.999 > 2 25 O 0.25009820074053 0.45976610252357 0.20044875234387 15.999 > 3 26 O 0.58343153407386 0.45976610252357 0.20044875234387 15.999 > 3 27 O 0.91676486740720 0.45976610252357 0.20044875234387 15.999 > 3 28 O 0.25009820074053 0.95976610252357 0.20044875234387 15.999 > 3 29 O 0.58343153407386 0.95976610252357 0.20044875234387 15.999 > 3 30 O 0.91676486740720 0.95976610252357 0.20044875234387 15.999 > 3 31 O 0.25009820074053 0.45976610252357 0.70044875234387 15.999 > 3 32 O 0.58343153407386 0.45976610252357 0.70044875234387 15.999 > 3 33 O 0.91676486740720 0.45976610252357 0.70044875234387 15.999 > 3 34 O 0.25009820074053 0.95976610252357 0.70044875234387 15.999 > 3 35 O 0.58343153407386 0.95976610252357 0.70044875234387 15.999 > 3 36 O 0.91676486740720 0.95976610252357 0.70044875234387 15.999 > 3 37 O 0.08323513259280 0.45976610252357 0.04955124765613 15.999 > 4 38 O 0.41656846592614 0.45976610252357 0.04955124765613 15.999 > 4 39 O 0.74990179925947 0.45976610252357 0.04955124765613 15.999 > 4 40 O 0.08323513259280 0.95976610252357 0.04955124765613 15.999 > 4 41 O 0.41656846592614 0.95976610252357 0.04955124765613 15.999 > 4 42 O 0.74990179925947 0.95976610252357 0.04955124765613 15.999 > 4 43 O 0.08323513259280 0.45976610252357 0.54955124765613 15.999 > 4 44 O 0.41656846592614 0.45976610252357 0.54955124765613 15.999 > 4 45 O 0.74990179925947 0.45976610252357 0.54955124765613 15.999 > 4 46 O 0.08323513259280 0.95976610252357 0.54955124765613 15.999 > 4 47 O 0.41656846592614 0.95976610252357 0.54955124765613 15.999 > 4 48 O 0.74990179925947 0.95976610252357 0.54955124765613 15.999 > 4 *49 O 0.08895400664424 0.28048989008514 0.24598183178496 15.999 > 5 50 O 0.42228733997757 0.28048989008514 0.24598183178496 15.999 > 5 51 O 0.75562067331091 0.28048989008514 0.24598183178496 15.999 > 5 52 O 0.08895400664424 0.78048989008514 0.24598183178496 15.999 > 5 53 O 0.42228733997757 0.78048989008514 0.24598183178496 15.999 > 5 54 O 0.75562067331091 0.78048989008514 0.24598183178496 15.999 > 5 55 O 0.08895400664424 0.28048989008514 0.74598183178496 15.999 > 5 56 O 0.42228733997757 0.28048989008514 0.74598183178496 15.999 > 5 57 O 0.75562067331091 0.28048989008514 0.74598183178496 15.999 > 5 58 O 0.08895400664424 0.78048989008514 0.74598183178496 15.999 > 5 59 O 0.42228733997757 0.78048989008514 0.74598183178496 15.999 > 5 60 O 0.75562067331091 0.78048989008514 0.74598183178496 15.999 > 5 61 O 0.24437932668909 0.28048989008514 0.00401816821504 15.999 > 6 62 O 0.57771266002243 0.28048989008514 0.00401816821504 15.999 > 6 63 O 0.91104599335576 0.28048989008514 0.00401816821504 15.999 > 6 64 O 0.24437932668909 0.78048989008514 0.00401816821504 15.999 > 6 65 O 0.57771266002243 0.78048989008514 0.00401816821504 15.999 > 6 66 O 0.91104599335576 0.78048989008514 0.00401816821504 15.999 > 6 67 O 0.24437932668909 0.28048989008514 0.50401816821504 15.999 > 6 68 O 0.57771266002243 0.28048989008514 0.50401816821504 15.999 > 6 69 O 0.91104599335576 0.28048989008514 0.50401816821504 15.999 > 6 70 O 0.24437932668909 0.78048989008514 0.50401816821504 15.999 > 6 71 O 0.57771266002243 0.78048989008514 0.50401816821504 15.999 > 6 72 O 0.91104599335576 0.78048989008514 0.50401816821504 15.999 > 6 73 O 0.24437932668909 0.21951010991486 0.25401816821504 15.999 > 7 74 O 0.57771266002243 0.21951010991486 0.25401816821504 15.999 > 7 75 O 0.91104599335576 0.21951010991486 0.25401816821504 15.999 > 7 76 O 0.24437932668909 0.71951010991486 0.25401816821504 15.999 > 7 77 O 0.57771266002243 0.71951010991486 0.25401816821504 15.999 > 7 78 O 0.91104599335576 0.71951010991486 0.25401816821504 15.999 > 7 79 O 0.24437932668909 0.21951010991486 0.75401816821504 15.999 > 7 80 O 0.57771266002243 0.21951010991486 0.75401816821504 15.999 > 7 81 O 0.91104599335576 0.21951010991486 0.75401816821504 15.999 > 7 82 O 0.24437932668909 0.71951010991486 0.75401816821504 15.999 > 7 83 O 0.57771266002243 0.71951010991486 0.75401816821504 15.999 > 7 84 O 0.91104599335576 0.71951010991486 0.75401816821504 15.999 > 7 85 O 0.08895400664424 0.21951010991486 0.49598183178496 15.999 > 8 86 O 0.42228733997757 0.21951010991486 0.49598183178496 15.999 > 8 87 O 0.75562067331091 0.21951010991486 0.49598183178496 15.999 > 8 88 O 0.08895400664424 0.71951010991486 0.49598183178496 15.999 > 8 89 O 0.42228733997757 0.71951010991486 0.49598183178496 15.999 > 8 90 O 0.75562067331091 0.71951010991486 0.49598183178496 15.999 > 8 91 O 0.08895400664424 0.21951010991486 0.99598183178496 15.999 > 8 92 O 0.42228733997757 0.21951010991486 0.99598183178496 15.999 > 8 93 O 0.75562067331091 0.21951010991486 0.99598183178496 15.999 > 8 94 O 0.08895400664424 0.71951010991486 0.99598183178496 15.999 > 8 95 O 0.42228733997757 0.71951010991486 0.99598183178496 15.999 > 8 96 O 0.75562067331091 0.71951010991486 0.99598183178496 15.999 > 8 *97 Y 0.00000000000000 0.38293254423380 0.37500000000000 88.906 > 9 98 Y 0.33333333333333 0.38293254423380 0.37500000000000 88.906 > 9 99 Y 0.66666666666667 0.38293254423380 0.37500000000000 88.906 > 9 100 Y 0.00000000000000 0.88293254423380 0.37500000000000 88.906 > 9 101 Y 0.33333333333333 0.88293254423380 0.37500000000000 88.906 > 9 102 Y 0.66666666666667 0.88293254423380 0.37500000000000 88.906 > 9 103 Y 0.00000000000000 0.38293254423380 0.87500000000000 88.906 > 9 104 Y 0.33333333333333 0.38293254423380 0.87500000000000 88.906 > 9 105 Y 0.66666666666667 0.38293254423380 0.87500000000000 88.906 > 9 106 Y 0.00000000000000 0.88293254423380 0.87500000000000 88.906 > 9 107 Y 0.33333333333333 0.88293254423380 0.87500000000000 88.906 > 9 108 Y 0.66666666666667 0.88293254423380 0.87500000000000 88.906 > 9 109 Y 0.00000000000000 0.11706745576620 0.12500000000000 88.906 > 10 110 Y 0.33333333333333 0.11706745576620 0.12500000000000 88.906 > 10 111 Y 0.66666666666667 0.11706745576620 0.12500000000000 88.906 > 10 112 Y 0.00000000000000 0.61706745576620 0.12500000000000 88.906 > 10 113 Y 0.33333333333333 0.61706745576620 0.12500000000000 88.906 > 10 114 Y 0.66666666666667 0.61706745576620 0.12500000000000 88.906 > 10 115 Y 0.00000000000000 0.11706745576620 0.62500000000000 88.906 > 10 116 Y 0.33333333333333 0.11706745576620 0.62500000000000 88.906 > 10 117 Y 0.66666666666667 0.11706745576620 0.62500000000000 88.906 > 10 118 Y 0.00000000000000 0.61706745576620 0.62500000000000 88.906 > 10 119 Y 0.33333333333333 0.61706745576620 0.62500000000000 88.906 > 10 120 Y 0.66666666666667 0.61706745576620 0.62500000000000 88.906 > 10 *121 Ta 0.16666666666667 0.15275230918089 0.37500000000000 180.948 > 11 122 Ta 0.50000000000000 0.15275230918089 0.37500000000000 180.948 > 11 123 Ta 0.83333333333333 0.15275230918089 0.37500000000000 180.948 > 11 124 Ta 0.16666666666667 0.65275230918089 0.37500000000000 180.948 > 11 125 Ta 0.50000000000000 0.65275230918089 0.37500000000000 180.948 > 11 126 Ta 0.83333333333333 0.65275230918089 0.37500000000000 180.948 > 11 127 Ta 0.16666666666667 0.15275230918089 0.87500000000000 180.948 > 11 128 Ta 0.50000000000000 0.15275230918089 0.87500000000000 180.948 > 11 129 Ta 0.83333333333333 0.15275230918089 0.87500000000000 180.948 > 11 130 Ta 0.16666666666667 0.65275230918089 0.87500000000000 180.948 > 11 131 Ta 0.50000000000000 0.65275230918089 0.87500000000000 180.948 > 11 132 Ta 0.83333333333333 0.65275230918089 0.87500000000000 180.948 > 11 133 Ta 0.16666666666667 0.34724769081911 0.12500000000000 180.948 > 12 134 Ta 0.50000000000000 0.34724769081911 0.12500000000000 180.948 > 12 135 Ta 0.83333333333333 0.34724769081911 0.12500000000000 180.948 > 12 136 Ta 0.16666666666667 0.84724769081911 0.12500000000000 180.948 > 12 137 Ta 0.50000000000000 0.84724769081911 0.12500000000000 180.948 > 12 138 Ta 0.83333333333333 0.84724769081911 0.12500000000000 180.948 > 12 139 Ta 0.16666666666667 0.34724769081911 0.62500000000000 180.948 > 12 140 Ta 0.50000000000000 0.34724769081911 0.62500000000000 180.948 > 12 141 Ta 0.83333333333333 0.34724769081911 0.62500000000000 180.948 > 12 142 Ta 0.16666666666667 0.84724769081911 0.62500000000000 180.948 > 12 143 Ta 0.50000000000000 0.84724769081911 0.62500000000000 180.948 > 12 144 Ta 0.83333333333333 0.84724769081911 0.62500000000000 180.948 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8652708 0.0000000 0.2003542 0.0000000 4.6424647 0.0000000 0.2003542 0.0000000 4.6569148 -------------------------- Born effective charges -------------------------- 1 O -2.5728368 -1.0701679 -0.8268706 -1.1551459 -2.6057671 -0.3079035 -0.9136010 -0.2932664 -2.1426878 2 O -2.5728368 1.0701679 -0.8268706 1.1551459 -2.6057671 0.3079035 -0.9136010 0.2932664 -2.1426878 3 O -2.5728368 -1.0701679 -0.8268706 -1.1551459 -2.6057671 -0.3079035 -0.9136010 -0.2932664 -2.1426878 4 O -2.5728368 1.0701679 -0.8268706 1.1551459 -2.6057671 0.3079035 -0.9136010 0.2932664 -2.1426878 5 O -2.5240818 -0.0896357 0.5438125 -0.0008850 -2.1100124 0.5376030 0.5725360 0.5188205 -2.5718127 6 O -2.5240818 0.0896357 0.5438125 0.0008850 -2.1100124 -0.5376030 0.5725360 -0.5188205 -2.5718127 7 O -2.5240818 -0.0896357 0.5438125 -0.0008850 -2.1100124 0.5376030 0.5725360 0.5188205 -2.5718127 8 O -2.5240818 0.0896357 0.5438125 0.0008850 -2.1100124 -0.5376030 0.5725360 -0.5188205 -2.5718127 9 Y 4.6794823 0.0000000 0.1654481 0.0000000 3.8617176 0.0000000 0.1899163 0.0000000 4.0577729 10 Y 4.6794823 0.0000000 0.1654481 0.0000000 3.8617176 0.0000000 0.1899163 0.0000000 4.0577729 11 Ta 5.5143549 0.0000000 0.4006680 0.0000000 5.5698416 0.0000000 0.4922137 0.0000000 5.3712282 12 Ta 5.5143549 0.0000000 0.4006680 0.0000000 5.5698416 0.0000000 0.4922137 0.0000000 5.3712282 ---------------------------------------------------------------------------- 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: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 0.802 Solver_block: 200 / 400 - Time: 0.744 Solver_block: 300 / 400 - Time: 0.752 Solver_block: 400 / 400 - Time: 0.746 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.130 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:45:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:45:15]------------------------- 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): [3 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.104912490631873 0.000000000000000 0.000000000000000 b 0.000000000000000 5.421758820000000 0.000000000000000 c -0.619308549442115 0.000000000000000 5.249863184766443 Atomic positions (fractional): 1 O 0.24970539777841 0.08046779495286 0.59910249531226 15.999 2 O 0.75029460222159 0.08046779495286 0.90089750468774 15.999 3 O 0.75029460222159 0.91953220504714 0.40089750468774 15.999 4 O 0.24970539777841 0.91953220504714 0.09910249531225 15.999 5 O 0.26686201993272 0.56097978017028 0.49196366356992 15.999 6 O 0.73313798006728 0.56097978017028 0.00803633643008 15.999 7 O 0.73313798006728 0.43902021982972 0.50803633643008 15.999 8 O 0.26686201993272 0.43902021982972 0.99196366356992 15.999 9 Y 0.00000000000000 0.76586508846760 0.75000000000000 88.906 10 Y 0.00000000000000 0.23413491153240 0.25000000000000 88.906 11 Ta 0.50000000000000 0.30550461836177 0.75000000000000 180.948 12 Ta 0.50000000000000 0.69449538163823 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.314737471895619 0.000000000000000 0.000000000000000 b 0.000000000000000 10.843517640000000 0.000000000000000 c -1.238617098884230 0.000000000000000 10.499726369532887 Atomic positions (fractional): 1 O 0.08323513259280 0.04023389747643 0.29955124765613 15.999 > 1 2 O 0.41656846592614 0.04023389747643 0.29955124765613 15.999 > 1 3 O 0.74990179925947 0.04023389747643 0.29955124765613 15.999 > 1 4 O 0.08323513259280 0.54023389747643 0.29955124765613 15.999 > 1 5 O 0.41656846592614 0.54023389747643 0.29955124765613 15.999 > 1 6 O 0.74990179925947 0.54023389747643 0.29955124765613 15.999 > 1 7 O 0.08323513259280 0.04023389747643 0.79955124765613 15.999 > 1 8 O 0.41656846592614 0.04023389747643 0.79955124765613 15.999 > 1 9 O 0.74990179925947 0.04023389747643 0.79955124765613 15.999 > 1 10 O 0.08323513259280 0.54023389747643 0.79955124765613 15.999 > 1 11 O 0.41656846592614 0.54023389747643 0.79955124765613 15.999 > 1 12 O 0.74990179925947 0.54023389747643 0.79955124765613 15.999 > 1 13 O 0.25009820074053 0.04023389747643 0.45044875234387 15.999 > 13 14 O 0.58343153407386 0.04023389747643 0.45044875234387 15.999 > 13 15 O 0.91676486740720 0.04023389747643 0.45044875234387 15.999 > 13 16 O 0.25009820074053 0.54023389747643 0.45044875234387 15.999 > 13 17 O 0.58343153407386 0.54023389747643 0.45044875234387 15.999 > 13 18 O 0.91676486740720 0.54023389747643 0.45044875234387 15.999 > 13 19 O 0.25009820074053 0.04023389747643 0.95044875234387 15.999 > 13 20 O 0.58343153407386 0.04023389747643 0.95044875234387 15.999 > 13 21 O 0.91676486740720 0.04023389747643 0.95044875234387 15.999 > 13 22 O 0.25009820074053 0.54023389747643 0.95044875234387 15.999 > 13 23 O 0.58343153407386 0.54023389747643 0.95044875234387 15.999 > 13 24 O 0.91676486740720 0.54023389747643 0.95044875234387 15.999 > 13 25 O 0.25009820074053 0.45976610252357 0.20044875234387 15.999 > 25 26 O 0.58343153407386 0.45976610252357 0.20044875234387 15.999 > 25 27 O 0.91676486740720 0.45976610252357 0.20044875234387 15.999 > 25 28 O 0.25009820074053 0.95976610252357 0.20044875234387 15.999 > 25 29 O 0.58343153407386 0.95976610252357 0.20044875234387 15.999 > 25 30 O 0.91676486740720 0.95976610252357 0.20044875234387 15.999 > 25 31 O 0.25009820074053 0.45976610252357 0.70044875234387 15.999 > 25 32 O 0.58343153407386 0.45976610252357 0.70044875234387 15.999 > 25 33 O 0.91676486740720 0.45976610252357 0.70044875234387 15.999 > 25 34 O 0.25009820074053 0.95976610252357 0.70044875234387 15.999 > 25 35 O 0.58343153407386 0.95976610252357 0.70044875234387 15.999 > 25 36 O 0.91676486740720 0.95976610252357 0.70044875234387 15.999 > 25 37 O 0.08323513259280 0.45976610252357 0.04955124765613 15.999 > 37 38 O 0.41656846592614 0.45976610252357 0.04955124765613 15.999 > 37 39 O 0.74990179925947 0.45976610252357 0.04955124765613 15.999 > 37 40 O 0.08323513259280 0.95976610252357 0.04955124765613 15.999 > 37 41 O 0.41656846592614 0.95976610252357 0.04955124765613 15.999 > 37 42 O 0.74990179925947 0.95976610252357 0.04955124765613 15.999 > 37 43 O 0.08323513259280 0.45976610252357 0.54955124765613 15.999 > 37 44 O 0.41656846592614 0.45976610252357 0.54955124765613 15.999 > 37 45 O 0.74990179925947 0.45976610252357 0.54955124765613 15.999 > 37 46 O 0.08323513259280 0.95976610252357 0.54955124765613 15.999 > 37 47 O 0.41656846592614 0.95976610252357 0.54955124765613 15.999 > 37 48 O 0.74990179925947 0.95976610252357 0.54955124765613 15.999 > 37 49 O 0.08895400664424 0.28048989008514 0.24598183178496 15.999 > 49 50 O 0.42228733997757 0.28048989008514 0.24598183178496 15.999 > 49 51 O 0.75562067331091 0.28048989008514 0.24598183178496 15.999 > 49 52 O 0.08895400664424 0.78048989008514 0.24598183178496 15.999 > 49 53 O 0.42228733997757 0.78048989008514 0.24598183178496 15.999 > 49 54 O 0.75562067331091 0.78048989008514 0.24598183178496 15.999 > 49 55 O 0.08895400664424 0.28048989008514 0.74598183178496 15.999 > 49 56 O 0.42228733997757 0.28048989008514 0.74598183178496 15.999 > 49 57 O 0.75562067331091 0.28048989008514 0.74598183178496 15.999 > 49 58 O 0.08895400664424 0.78048989008514 0.74598183178496 15.999 > 49 59 O 0.42228733997757 0.78048989008514 0.74598183178496 15.999 > 49 60 O 0.75562067331091 0.78048989008514 0.74598183178496 15.999 > 49 61 O 0.24437932668909 0.28048989008514 0.00401816821504 15.999 > 61 62 O 0.57771266002243 0.28048989008514 0.00401816821504 15.999 > 61 63 O 0.91104599335576 0.28048989008514 0.00401816821504 15.999 > 61 64 O 0.24437932668909 0.78048989008514 0.00401816821504 15.999 > 61 65 O 0.57771266002243 0.78048989008514 0.00401816821504 15.999 > 61 66 O 0.91104599335576 0.78048989008514 0.00401816821504 15.999 > 61 67 O 0.24437932668909 0.28048989008514 0.50401816821504 15.999 > 61 68 O 0.57771266002243 0.28048989008514 0.50401816821504 15.999 > 61 69 O 0.91104599335576 0.28048989008514 0.50401816821504 15.999 > 61 70 O 0.24437932668909 0.78048989008514 0.50401816821504 15.999 > 61 71 O 0.57771266002243 0.78048989008514 0.50401816821504 15.999 > 61 72 O 0.91104599335576 0.78048989008514 0.50401816821504 15.999 > 61 73 O 0.24437932668909 0.21951010991486 0.25401816821504 15.999 > 73 74 O 0.57771266002243 0.21951010991486 0.25401816821504 15.999 > 73 75 O 0.91104599335576 0.21951010991486 0.25401816821504 15.999 > 73 76 O 0.24437932668909 0.71951010991486 0.25401816821504 15.999 > 73 77 O 0.57771266002243 0.71951010991486 0.25401816821504 15.999 > 73 78 O 0.91104599335576 0.71951010991486 0.25401816821504 15.999 > 73 79 O 0.24437932668909 0.21951010991486 0.75401816821504 15.999 > 73 80 O 0.57771266002243 0.21951010991486 0.75401816821504 15.999 > 73 81 O 0.91104599335576 0.21951010991486 0.75401816821504 15.999 > 73 82 O 0.24437932668909 0.71951010991486 0.75401816821504 15.999 > 73 83 O 0.57771266002243 0.71951010991486 0.75401816821504 15.999 > 73 84 O 0.91104599335576 0.71951010991486 0.75401816821504 15.999 > 73 85 O 0.08895400664424 0.21951010991486 0.49598183178496 15.999 > 85 86 O 0.42228733997757 0.21951010991486 0.49598183178496 15.999 > 85 87 O 0.75562067331091 0.21951010991486 0.49598183178496 15.999 > 85 88 O 0.08895400664424 0.71951010991486 0.49598183178496 15.999 > 85 89 O 0.42228733997757 0.71951010991486 0.49598183178496 15.999 > 85 90 O 0.75562067331091 0.71951010991486 0.49598183178496 15.999 > 85 91 O 0.08895400664424 0.21951010991486 0.99598183178496 15.999 > 85 92 O 0.42228733997757 0.21951010991486 0.99598183178496 15.999 > 85 93 O 0.75562067331091 0.21951010991486 0.99598183178496 15.999 > 85 94 O 0.08895400664424 0.71951010991486 0.99598183178496 15.999 > 85 95 O 0.42228733997757 0.71951010991486 0.99598183178496 15.999 > 85 96 O 0.75562067331091 0.71951010991486 0.99598183178496 15.999 > 85 97 Y 0.00000000000000 0.38293254423380 0.37500000000000 88.906 > 97 98 Y 0.33333333333333 0.38293254423380 0.37500000000000 88.906 > 97 99 Y 0.66666666666667 0.38293254423380 0.37500000000000 88.906 > 97 100 Y 0.00000000000000 0.88293254423380 0.37500000000000 88.906 > 97 101 Y 0.33333333333333 0.88293254423380 0.37500000000000 88.906 > 97 102 Y 0.66666666666667 0.88293254423380 0.37500000000000 88.906 > 97 103 Y 0.00000000000000 0.38293254423380 0.87500000000000 88.906 > 97 104 Y 0.33333333333333 0.38293254423380 0.87500000000000 88.906 > 97 105 Y 0.66666666666667 0.38293254423380 0.87500000000000 88.906 > 97 106 Y 0.00000000000000 0.88293254423380 0.87500000000000 88.906 > 97 107 Y 0.33333333333333 0.88293254423380 0.87500000000000 88.906 > 97 108 Y 0.66666666666667 0.88293254423380 0.87500000000000 88.906 > 97 109 Y 0.00000000000000 0.11706745576620 0.12500000000000 88.906 > 109 110 Y 0.33333333333333 0.11706745576620 0.12500000000000 88.906 > 109 111 Y 0.66666666666667 0.11706745576620 0.12500000000000 88.906 > 109 112 Y 0.00000000000000 0.61706745576620 0.12500000000000 88.906 > 109 113 Y 0.33333333333333 0.61706745576620 0.12500000000000 88.906 > 109 114 Y 0.66666666666667 0.61706745576620 0.12500000000000 88.906 > 109 115 Y 0.00000000000000 0.11706745576620 0.62500000000000 88.906 > 109 116 Y 0.33333333333333 0.11706745576620 0.62500000000000 88.906 > 109 117 Y 0.66666666666667 0.11706745576620 0.62500000000000 88.906 > 109 118 Y 0.00000000000000 0.61706745576620 0.62500000000000 88.906 > 109 119 Y 0.33333333333333 0.61706745576620 0.62500000000000 88.906 > 109 120 Y 0.66666666666667 0.61706745576620 0.62500000000000 88.906 > 109 121 Ta 0.16666666666667 0.15275230918089 0.37500000000000 180.948 > 121 122 Ta 0.50000000000000 0.15275230918089 0.37500000000000 180.948 > 121 123 Ta 0.83333333333333 0.15275230918089 0.37500000000000 180.948 > 121 124 Ta 0.16666666666667 0.65275230918089 0.37500000000000 180.948 > 121 125 Ta 0.50000000000000 0.65275230918089 0.37500000000000 180.948 > 121 126 Ta 0.83333333333333 0.65275230918089 0.37500000000000 180.948 > 121 127 Ta 0.16666666666667 0.15275230918089 0.87500000000000 180.948 > 121 128 Ta 0.50000000000000 0.15275230918089 0.87500000000000 180.948 > 121 129 Ta 0.83333333333333 0.15275230918089 0.87500000000000 180.948 > 121 130 Ta 0.16666666666667 0.65275230918089 0.87500000000000 180.948 > 121 131 Ta 0.50000000000000 0.65275230918089 0.87500000000000 180.948 > 121 132 Ta 0.83333333333333 0.65275230918089 0.87500000000000 180.948 > 121 133 Ta 0.16666666666667 0.34724769081911 0.12500000000000 180.948 > 133 134 Ta 0.50000000000000 0.34724769081911 0.12500000000000 180.948 > 133 135 Ta 0.83333333333333 0.34724769081911 0.12500000000000 180.948 > 133 136 Ta 0.16666666666667 0.84724769081911 0.12500000000000 180.948 > 133 137 Ta 0.50000000000000 0.84724769081911 0.12500000000000 180.948 > 133 138 Ta 0.83333333333333 0.84724769081911 0.12500000000000 180.948 > 133 139 Ta 0.16666666666667 0.34724769081911 0.62500000000000 180.948 > 133 140 Ta 0.50000000000000 0.34724769081911 0.62500000000000 180.948 > 133 141 Ta 0.83333333333333 0.34724769081911 0.62500000000000 180.948 > 133 142 Ta 0.16666666666667 0.84724769081911 0.62500000000000 180.948 > 133 143 Ta 0.50000000000000 0.84724769081911 0.62500000000000 180.948 > 133 144 Ta 0.83333333333333 0.84724769081911 0.62500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8652708 0.0000000 0.2003542 0.0000000 4.6424647 0.0000000 0.2003542 0.0000000 4.6569148 -------------------------- Born effective charges -------------------------- 1 O -2.5728368 -1.0701679 -0.8268706 -1.1551459 -2.6057671 -0.3079035 -0.9136010 -0.2932664 -2.1426878 2 O -2.5728368 1.0701679 -0.8268706 1.1551459 -2.6057671 0.3079035 -0.9136010 0.2932664 -2.1426878 3 O -2.5728368 -1.0701679 -0.8268706 -1.1551459 -2.6057671 -0.3079035 -0.9136010 -0.2932664 -2.1426878 4 O -2.5728368 1.0701679 -0.8268706 1.1551459 -2.6057671 0.3079035 -0.9136010 0.2932664 -2.1426878 5 O -2.5240818 -0.0896357 0.5438125 -0.0008850 -2.1100124 0.5376030 0.5725360 0.5188205 -2.5718127 6 O -2.5240818 0.0896357 0.5438125 0.0008850 -2.1100124 -0.5376030 0.5725360 -0.5188205 -2.5718127 7 O -2.5240818 -0.0896357 0.5438125 -0.0008850 -2.1100124 0.5376030 0.5725360 0.5188205 -2.5718127 8 O -2.5240818 0.0896357 0.5438125 0.0008850 -2.1100124 -0.5376030 0.5725360 -0.5188205 -2.5718127 9 Y 4.6794823 0.0000000 0.1654481 0.0000000 3.8617176 0.0000000 0.1899163 0.0000000 4.0577729 10 Y 4.6794823 0.0000000 0.1654481 0.0000000 3.8617176 0.0000000 0.1899163 0.0000000 4.0577729 11 Ta 5.5143549 0.0000000 0.4006680 0.0000000 5.5698416 0.0000000 0.4922137 0.0000000 5.3712282 12 Ta 5.5143549 0.0000000 0.4006680 0.0000000 5.5698416 0.0000000 0.4922137 0.0000000 5.3712282 ---------------------------------------------------------------------------- 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 121, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000003 (zx) -0.00000003 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:45:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:45:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2/c (13) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.104912490631873 0.000000000000000 0.000000000000000 b 0.000000000000000 5.421758820000000 0.000000000000000 c -0.619308549442115 0.000000000000000 5.249863184766443 Atomic positions (fractional): 1 O 0.24970539777841 0.08046779495286 0.59910249531226 15.999 2 O 0.75029460222159 0.08046779495286 0.90089750468774 15.999 3 O 0.75029460222159 0.91953220504714 0.40089750468774 15.999 4 O 0.24970539777841 0.91953220504714 0.09910249531225 15.999 5 O 0.26686201993272 0.56097978017028 0.49196366356992 15.999 6 O 0.73313798006728 0.56097978017028 0.00803633643008 15.999 7 O 0.73313798006728 0.43902021982972 0.50803633643008 15.999 8 O 0.26686201993272 0.43902021982972 0.99196366356992 15.999 9 Y 0.00000000000000 0.76586508846760 0.75000000000000 88.906 10 Y 0.00000000000000 0.23413491153240 0.25000000000000 88.906 11 Ta 0.50000000000000 0.30550461836177 0.75000000000000 180.948 12 Ta 0.50000000000000 0.69449538163823 0.25000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.314737471895619 0.000000000000000 0.000000000000000 b 0.000000000000000 10.843517640000000 0.000000000000000 c -1.238617098884230 0.000000000000000 10.499726369532887 Atomic positions (fractional): 1 O 0.08323513259280 0.04023389747643 0.29955124765613 15.999 > 1 2 O 0.41656846592614 0.04023389747643 0.29955124765613 15.999 > 1 3 O 0.74990179925947 0.04023389747643 0.29955124765613 15.999 > 1 4 O 0.08323513259280 0.54023389747643 0.29955124765613 15.999 > 1 5 O 0.41656846592614 0.54023389747643 0.29955124765613 15.999 > 1 6 O 0.74990179925947 0.54023389747643 0.29955124765613 15.999 > 1 7 O 0.08323513259280 0.04023389747643 0.79955124765613 15.999 > 1 8 O 0.41656846592614 0.04023389747643 0.79955124765613 15.999 > 1 9 O 0.74990179925947 0.04023389747643 0.79955124765613 15.999 > 1 10 O 0.08323513259280 0.54023389747643 0.79955124765613 15.999 > 1 11 O 0.41656846592614 0.54023389747643 0.79955124765613 15.999 > 1 12 O 0.74990179925947 0.54023389747643 0.79955124765613 15.999 > 1 13 O 0.25009820074053 0.04023389747643 0.45044875234387 15.999 > 13 14 O 0.58343153407386 0.04023389747643 0.45044875234387 15.999 > 13 15 O 0.91676486740720 0.04023389747643 0.45044875234387 15.999 > 13 16 O 0.25009820074053 0.54023389747643 0.45044875234387 15.999 > 13 17 O 0.58343153407386 0.54023389747643 0.45044875234387 15.999 > 13 18 O 0.91676486740720 0.54023389747643 0.45044875234387 15.999 > 13 19 O 0.25009820074053 0.04023389747643 0.95044875234387 15.999 > 13 20 O 0.58343153407386 0.04023389747643 0.95044875234387 15.999 > 13 21 O 0.91676486740720 0.04023389747643 0.95044875234387 15.999 > 13 22 O 0.25009820074053 0.54023389747643 0.95044875234387 15.999 > 13 23 O 0.58343153407386 0.54023389747643 0.95044875234387 15.999 > 13 24 O 0.91676486740720 0.54023389747643 0.95044875234387 15.999 > 13 25 O 0.25009820074053 0.45976610252357 0.20044875234387 15.999 > 25 26 O 0.58343153407386 0.45976610252357 0.20044875234387 15.999 > 25 27 O 0.91676486740720 0.45976610252357 0.20044875234387 15.999 > 25 28 O 0.25009820074053 0.95976610252357 0.20044875234387 15.999 > 25 29 O 0.58343153407386 0.95976610252357 0.20044875234387 15.999 > 25 30 O 0.91676486740720 0.95976610252357 0.20044875234387 15.999 > 25 31 O 0.25009820074053 0.45976610252357 0.70044875234387 15.999 > 25 32 O 0.58343153407386 0.45976610252357 0.70044875234387 15.999 > 25 33 O 0.91676486740720 0.45976610252357 0.70044875234387 15.999 > 25 34 O 0.25009820074053 0.95976610252357 0.70044875234387 15.999 > 25 35 O 0.58343153407386 0.95976610252357 0.70044875234387 15.999 > 25 36 O 0.91676486740720 0.95976610252357 0.70044875234387 15.999 > 25 37 O 0.08323513259280 0.45976610252357 0.04955124765613 15.999 > 37 38 O 0.41656846592614 0.45976610252357 0.04955124765613 15.999 > 37 39 O 0.74990179925947 0.45976610252357 0.04955124765613 15.999 > 37 40 O 0.08323513259280 0.95976610252357 0.04955124765613 15.999 > 37 41 O 0.41656846592614 0.95976610252357 0.04955124765613 15.999 > 37 42 O 0.74990179925947 0.95976610252357 0.04955124765613 15.999 > 37 43 O 0.08323513259280 0.45976610252357 0.54955124765613 15.999 > 37 44 O 0.41656846592614 0.45976610252357 0.54955124765613 15.999 > 37 45 O 0.74990179925947 0.45976610252357 0.54955124765613 15.999 > 37 46 O 0.08323513259280 0.95976610252357 0.54955124765613 15.999 > 37 47 O 0.41656846592614 0.95976610252357 0.54955124765613 15.999 > 37 48 O 0.74990179925947 0.95976610252357 0.54955124765613 15.999 > 37 49 O 0.08895400664424 0.28048989008514 0.24598183178496 15.999 > 49 50 O 0.42228733997757 0.28048989008514 0.24598183178496 15.999 > 49 51 O 0.75562067331091 0.28048989008514 0.24598183178496 15.999 > 49 52 O 0.08895400664424 0.78048989008514 0.24598183178496 15.999 > 49 53 O 0.42228733997757 0.78048989008514 0.24598183178496 15.999 > 49 54 O 0.75562067331091 0.78048989008514 0.24598183178496 15.999 > 49 55 O 0.08895400664424 0.28048989008514 0.74598183178496 15.999 > 49 56 O 0.42228733997757 0.28048989008514 0.74598183178496 15.999 > 49 57 O 0.75562067331091 0.28048989008514 0.74598183178496 15.999 > 49 58 O 0.08895400664424 0.78048989008514 0.74598183178496 15.999 > 49 59 O 0.42228733997757 0.78048989008514 0.74598183178496 15.999 > 49 60 O 0.75562067331091 0.78048989008514 0.74598183178496 15.999 > 49 61 O 0.24437932668909 0.28048989008514 0.00401816821504 15.999 > 61 62 O 0.57771266002243 0.28048989008514 0.00401816821504 15.999 > 61 63 O 0.91104599335576 0.28048989008514 0.00401816821504 15.999 > 61 64 O 0.24437932668909 0.78048989008514 0.00401816821504 15.999 > 61 65 O 0.57771266002243 0.78048989008514 0.00401816821504 15.999 > 61 66 O 0.91104599335576 0.78048989008514 0.00401816821504 15.999 > 61 67 O 0.24437932668909 0.28048989008514 0.50401816821504 15.999 > 61 68 O 0.57771266002243 0.28048989008514 0.50401816821504 15.999 > 61 69 O 0.91104599335576 0.28048989008514 0.50401816821504 15.999 > 61 70 O 0.24437932668909 0.78048989008514 0.50401816821504 15.999 > 61 71 O 0.57771266002243 0.78048989008514 0.50401816821504 15.999 > 61 72 O 0.91104599335576 0.78048989008514 0.50401816821504 15.999 > 61 73 O 0.24437932668909 0.21951010991486 0.25401816821504 15.999 > 73 74 O 0.57771266002243 0.21951010991486 0.25401816821504 15.999 > 73 75 O 0.91104599335576 0.21951010991486 0.25401816821504 15.999 > 73 76 O 0.24437932668909 0.71951010991486 0.25401816821504 15.999 > 73 77 O 0.57771266002243 0.71951010991486 0.25401816821504 15.999 > 73 78 O 0.91104599335576 0.71951010991486 0.25401816821504 15.999 > 73 79 O 0.24437932668909 0.21951010991486 0.75401816821504 15.999 > 73 80 O 0.57771266002243 0.21951010991486 0.75401816821504 15.999 > 73 81 O 0.91104599335576 0.21951010991486 0.75401816821504 15.999 > 73 82 O 0.24437932668909 0.71951010991486 0.75401816821504 15.999 > 73 83 O 0.57771266002243 0.71951010991486 0.75401816821504 15.999 > 73 84 O 0.91104599335576 0.71951010991486 0.75401816821504 15.999 > 73 85 O 0.08895400664424 0.21951010991486 0.49598183178496 15.999 > 85 86 O 0.42228733997757 0.21951010991486 0.49598183178496 15.999 > 85 87 O 0.75562067331091 0.21951010991486 0.49598183178496 15.999 > 85 88 O 0.08895400664424 0.71951010991486 0.49598183178496 15.999 > 85 89 O 0.42228733997757 0.71951010991486 0.49598183178496 15.999 > 85 90 O 0.75562067331091 0.71951010991486 0.49598183178496 15.999 > 85 91 O 0.08895400664424 0.21951010991486 0.99598183178496 15.999 > 85 92 O 0.42228733997757 0.21951010991486 0.99598183178496 15.999 > 85 93 O 0.75562067331091 0.21951010991486 0.99598183178496 15.999 > 85 94 O 0.08895400664424 0.71951010991486 0.99598183178496 15.999 > 85 95 O 0.42228733997757 0.71951010991486 0.99598183178496 15.999 > 85 96 O 0.75562067331091 0.71951010991486 0.99598183178496 15.999 > 85 97 Y 0.00000000000000 0.38293254423380 0.37500000000000 88.906 > 97 98 Y 0.33333333333333 0.38293254423380 0.37500000000000 88.906 > 97 99 Y 0.66666666666667 0.38293254423380 0.37500000000000 88.906 > 97 100 Y 0.00000000000000 0.88293254423380 0.37500000000000 88.906 > 97 101 Y 0.33333333333333 0.88293254423380 0.37500000000000 88.906 > 97 102 Y 0.66666666666667 0.88293254423380 0.37500000000000 88.906 > 97 103 Y 0.00000000000000 0.38293254423380 0.87500000000000 88.906 > 97 104 Y 0.33333333333333 0.38293254423380 0.87500000000000 88.906 > 97 105 Y 0.66666666666667 0.38293254423380 0.87500000000000 88.906 > 97 106 Y 0.00000000000000 0.88293254423380 0.87500000000000 88.906 > 97 107 Y 0.33333333333333 0.88293254423380 0.87500000000000 88.906 > 97 108 Y 0.66666666666667 0.88293254423380 0.87500000000000 88.906 > 97 109 Y 0.00000000000000 0.11706745576620 0.12500000000000 88.906 > 109 110 Y 0.33333333333333 0.11706745576620 0.12500000000000 88.906 > 109 111 Y 0.66666666666667 0.11706745576620 0.12500000000000 88.906 > 109 112 Y 0.00000000000000 0.61706745576620 0.12500000000000 88.906 > 109 113 Y 0.33333333333333 0.61706745576620 0.12500000000000 88.906 > 109 114 Y 0.66666666666667 0.61706745576620 0.12500000000000 88.906 > 109 115 Y 0.00000000000000 0.11706745576620 0.62500000000000 88.906 > 109 116 Y 0.33333333333333 0.11706745576620 0.62500000000000 88.906 > 109 117 Y 0.66666666666667 0.11706745576620 0.62500000000000 88.906 > 109 118 Y 0.00000000000000 0.61706745576620 0.62500000000000 88.906 > 109 119 Y 0.33333333333333 0.61706745576620 0.62500000000000 88.906 > 109 120 Y 0.66666666666667 0.61706745576620 0.62500000000000 88.906 > 109 121 Ta 0.16666666666667 0.15275230918089 0.37500000000000 180.948 > 121 122 Ta 0.50000000000000 0.15275230918089 0.37500000000000 180.948 > 121 123 Ta 0.83333333333333 0.15275230918089 0.37500000000000 180.948 > 121 124 Ta 0.16666666666667 0.65275230918089 0.37500000000000 180.948 > 121 125 Ta 0.50000000000000 0.65275230918089 0.37500000000000 180.948 > 121 126 Ta 0.83333333333333 0.65275230918089 0.37500000000000 180.948 > 121 127 Ta 0.16666666666667 0.15275230918089 0.87500000000000 180.948 > 121 128 Ta 0.50000000000000 0.15275230918089 0.87500000000000 180.948 > 121 129 Ta 0.83333333333333 0.15275230918089 0.87500000000000 180.948 > 121 130 Ta 0.16666666666667 0.65275230918089 0.87500000000000 180.948 > 121 131 Ta 0.50000000000000 0.65275230918089 0.87500000000000 180.948 > 121 132 Ta 0.83333333333333 0.65275230918089 0.87500000000000 180.948 > 121 133 Ta 0.16666666666667 0.34724769081911 0.12500000000000 180.948 > 133 134 Ta 0.50000000000000 0.34724769081911 0.12500000000000 180.948 > 133 135 Ta 0.83333333333333 0.34724769081911 0.12500000000000 180.948 > 133 136 Ta 0.16666666666667 0.84724769081911 0.12500000000000 180.948 > 133 137 Ta 0.50000000000000 0.84724769081911 0.12500000000000 180.948 > 133 138 Ta 0.83333333333333 0.84724769081911 0.12500000000000 180.948 > 133 139 Ta 0.16666666666667 0.34724769081911 0.62500000000000 180.948 > 133 140 Ta 0.50000000000000 0.34724769081911 0.62500000000000 180.948 > 133 141 Ta 0.83333333333333 0.34724769081911 0.62500000000000 180.948 > 133 142 Ta 0.16666666666667 0.84724769081911 0.62500000000000 180.948 > 133 143 Ta 0.50000000000000 0.84724769081911 0.62500000000000 180.948 > 133 144 Ta 0.83333333333333 0.84724769081911 0.62500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8652708 0.0000000 0.2003542 0.0000000 4.6424647 0.0000000 0.2003542 0.0000000 4.6569148 -------------------------- Born effective charges -------------------------- 1 O -2.5728368 -1.0701679 -0.8268706 -1.1551459 -2.6057671 -0.3079035 -0.9136010 -0.2932664 -2.1426878 2 O -2.5728368 1.0701679 -0.8268706 1.1551459 -2.6057671 0.3079035 -0.9136010 0.2932664 -2.1426878 3 O -2.5728368 -1.0701679 -0.8268706 -1.1551459 -2.6057671 -0.3079035 -0.9136010 -0.2932664 -2.1426878 4 O -2.5728368 1.0701679 -0.8268706 1.1551459 -2.6057671 0.3079035 -0.9136010 0.2932664 -2.1426878 5 O -2.5240818 -0.0896357 0.5438125 -0.0008850 -2.1100124 0.5376030 0.5725360 0.5188205 -2.5718127 6 O -2.5240818 0.0896357 0.5438125 0.0008850 -2.1100124 -0.5376030 0.5725360 -0.5188205 -2.5718127 7 O -2.5240818 -0.0896357 0.5438125 -0.0008850 -2.1100124 0.5376030 0.5725360 0.5188205 -2.5718127 8 O -2.5240818 0.0896357 0.5438125 0.0008850 -2.1100124 -0.5376030 0.5725360 -0.5188205 -2.5718127 9 Y 4.6794823 0.0000000 0.1654481 0.0000000 3.8617176 0.0000000 0.1899163 0.0000000 4.0577729 10 Y 4.6794823 0.0000000 0.1654481 0.0000000 3.8617176 0.0000000 0.1899163 0.0000000 4.0577729 11 Ta 5.5143549 0.0000000 0.4006680 0.0000000 5.5698416 0.0000000 0.4922137 0.0000000 5.3712282 12 Ta 5.5143549 0.0000000 0.4006680 0.0000000 5.5698416 0.0000000 0.4922137 0.0000000 5.3712282 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 295, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/260) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 8.240 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.755 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.388 ( 0.000 0.000 0.000) 0.000 10.241 ( 0.000 0.000 0.000) 0.000 11.268 ( 0.000 0.000 0.000) 0.000 12.161 ( 0.000 0.000 0.000) 0.000 12.171 ( 0.000 0.000 0.000) 0.000 12.473 ( 0.000 0.000 0.000) 0.000 14.821 ( 0.000 0.000 0.000) 0.000 14.927 ( 0.000 0.000 0.000) 0.000 15.907 ( 0.000 0.000 0.000) 0.000 15.953 ( 0.000 0.000 0.000) 0.000 18.228 ( 0.000 0.000 0.000) 0.000 19.489 ( 0.000 0.000 0.000) 0.000 19.632 ( 0.000 0.000 0.000) 0.000 19.724 ( 0.000 0.000 0.000) 0.000 20.704 ( 0.000 0.000 0.000) 0.000 23.503 ( 0.000 0.000 0.000) 0.000 24.068 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/260) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 31.011 0.000 0.217) 31.012 0.614 ( 29.034 0.000 14.171) 32.307 1.262 ( 61.449 0.000 16.120) 63.528 3.628 ( 1.999 0.000 8.325) 8.561 3.683 ( -1.979 0.000 -2.128) 2.906 4.610 ( -6.738 0.000 9.206) 11.408 4.841 ( -4.043 0.000 -18.157) 18.601 4.904 ( 3.885 0.000 5.063) 6.382 5.015 ( 5.523 0.000 2.586) 6.098 5.191 ( 2.380 0.000 4.388) 4.992 5.491 ( 6.645 0.000 3.649) 7.581 6.118 ( -0.210 0.000 1.178) 1.196 6.742 ( -2.283 0.000 -1.867) 2.949 7.302 ( 2.913 0.000 -32.908) 33.037 7.897 ( 2.819 0.000 -1.829) 3.360 8.217 ( -2.240 0.000 -1.124) 2.506 8.642 ( -0.471 0.000 -23.893) 23.898 8.658 ( -9.555 0.000 -1.678) 9.701 9.370 ( -1.071 0.000 6.120) 6.213 10.332 ( 8.622 0.000 -4.973) 9.954 11.267 ( 0.041 0.000 -0.240) 0.243 11.283 ( -24.906 0.000 185.566) 187.230 12.124 ( -3.594 0.000 13.006) 13.493 12.392 ( 10.362 0.000 -48.697) 49.787 12.562 ( 8.733 0.000 1.315) 8.831 14.808 ( -1.350 0.000 -0.369) 1.399 14.934 ( 0.622 0.000 0.065) 0.626 15.855 ( -5.241 0.000 -0.310) 5.250 16.904 ( 18.968 0.000 -103.587) 105.309 18.255 ( 1.919 0.000 7.248) 7.498 19.429 ( -6.302 0.000 0.447) 6.318 19.672 ( -5.276 0.000 0.353) 5.288 20.589 ( -10.228 0.000 -7.221) 12.520 23.576 ( 6.772 0.000 1.764) 6.997 23.960 ( -8.744 0.000 23.965) 25.511 24.170 ( 2.148 0.000 23.158) 23.257 ======================= Grid point 2 (3/260) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 26.884 0.000 12.867) 29.805 1.212 ( 30.059 0.000 0.031) 30.059 2.455 ( 55.758 0.000 14.155) 57.527 3.602 ( -5.636 0.000 -5.047) 7.565 3.686 ( 0.357 0.000 12.847) 12.852 4.393 ( -15.321 0.000 1.124) 15.362 4.776 ( -0.135 0.000 -4.989) 4.991 5.021 ( 7.306 0.000 -1.897) 7.548 5.181 ( 10.975 0.000 -1.190) 11.039 5.287 ( 6.161 0.000 7.185) 9.465 5.650 ( 8.634 0.000 0.660) 8.659 6.116 ( -0.444 0.000 2.601) 2.638 6.687 ( -2.293 0.000 -2.977) 3.757 7.263 ( -1.627 0.000 -13.354) 13.453 7.922 ( -0.932 0.000 -2.965) 3.108 8.143 ( -4.923 0.000 -4.290) 6.530 8.400 ( -15.476 0.000 0.837) 15.499 8.540 ( -5.248 0.000 -15.270) 16.147 9.429 ( 6.463 0.000 3.920) 7.559 10.500 ( 8.723 0.000 -5.983) 10.577 11.205 ( -13.354 0.000 75.608) 76.778 11.277 ( 1.134 0.000 -0.082) 1.137 12.116 ( -1.239 0.000 22.284) 22.319 12.478 ( 7.196 0.000 -27.888) 28.802 12.810 ( 15.804 0.000 2.743) 16.040 14.768 ( -2.564 0.000 -0.597) 2.633 14.939 ( -0.772 0.000 -0.059) 0.775 15.710 ( -8.876 0.000 -0.349) 8.883 17.089 ( 17.427 0.000 -47.781) 50.860 18.339 ( 4.348 0.000 13.005) 13.713 19.242 ( -12.797 0.000 0.979) 12.834 19.526 ( -9.465 0.000 1.012) 9.519 20.312 ( -14.345 0.000 -13.095) 19.423 23.750 ( 9.808 0.000 2.515) 10.125 23.840 ( -7.622 0.000 11.106) 13.470 24.261 ( 3.174 0.000 10.765) 11.223 ======================= Grid point 3 (4/260) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 24.461 0.000 11.519) 27.037 1.787 ( 28.628 0.000 -0.245) 28.629 3.290 ( 3.232 0.000 -0.289) 3.245 3.614 ( 30.612 0.000 2.837) 30.743 3.639 ( -10.010 0.000 9.236) 13.620 4.109 ( -11.134 0.000 0.596) 11.149 4.782 ( 0.720 0.000 1.281) 1.469 5.170 ( 8.234 0.000 -3.457) 8.930 5.421 ( 12.773 0.000 0.481) 12.782 5.459 ( 9.085 0.000 9.501) 13.146 5.824 ( 9.446 0.000 -3.919) 10.227 6.107 ( -1.512 0.000 3.224) 3.561 6.658 ( 0.463 0.000 -2.510) 2.553 7.181 ( -3.960 0.000 -5.874) 7.084 7.820 ( -8.625 0.000 -4.650) 9.798 7.977 ( -11.149 0.000 -11.243) 15.834 8.109 ( -13.501 0.000 5.174) 14.458 8.391 ( -6.113 0.000 -7.587) 9.743 9.625 ( 11.967 0.000 -0.358) 11.972 10.623 ( 4.996 0.000 -4.478) 6.709 11.127 ( -7.583 0.000 37.038) 37.806 11.311 ( 2.231 0.000 0.111) 2.234 12.165 ( 0.482 0.000 21.690) 21.696 12.546 ( 5.474 0.000 -19.613) 20.362 13.181 ( 20.933 0.000 3.978) 21.308 14.709 ( -3.158 0.000 -0.633) 3.220 14.857 ( -8.888 0.000 -1.342) 8.989 15.548 ( -6.379 0.000 0.415) 6.392 17.344 ( 16.662 0.000 -26.873) 31.620 18.482 ( 6.518 0.000 15.733) 17.030 18.951 ( -16.212 0.000 0.957) 16.241 19.321 ( -11.285 0.000 1.899) 11.443 20.007 ( -12.704 0.000 -15.807) 20.279 23.720 ( -6.336 0.000 5.632) 8.477 23.945 ( 8.910 0.000 2.251) 9.190 24.341 ( 2.835 0.000 6.270) 6.881 ======================= Grid point 4 (5/260) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 22.394 0.000 10.532) 24.747 2.330 ( 26.830 0.000 -0.508) 26.835 3.043 ( -16.986 0.000 -8.376) 18.939 3.320 ( -21.680 0.000 2.273) 21.799 3.995 ( -2.539 0.000 3.295) 4.160 4.300 ( 26.816 0.000 3.813) 27.086 4.800 ( 0.599 0.000 1.690) 1.793 5.307 ( 5.917 0.000 -3.001) 6.634 5.639 ( 7.976 0.000 2.887) 8.482 5.669 ( 9.483 0.000 10.299) 13.999 5.997 ( 8.755 0.000 -5.805) 10.505 6.059 ( -3.975 0.000 0.301) 3.987 6.705 ( 4.133 0.000 0.701) 4.192 7.120 ( 0.131 0.000 0.115) 0.174 7.601 ( -10.702 0.000 -2.575) 11.007 7.650 ( -18.083 0.000 -14.947) 23.461 7.924 ( -6.598 0.000 3.963) 7.697 8.294 ( -2.727 0.000 -1.794) 3.264 9.842 ( 9.076 0.000 -1.838) 9.260 10.681 ( 1.882 0.000 -1.895) 2.671 11.083 ( -3.188 0.000 16.030) 16.344 11.354 ( 1.770 0.000 0.072) 1.771 12.216 ( 0.399 0.000 12.710) 12.716 12.602 ( 3.594 0.000 -10.406) 11.009 13.634 ( 23.868 0.000 4.506) 24.289 14.565 ( -19.619 0.000 -3.127) 19.867 14.651 ( -2.336 0.000 -0.431) 2.375 15.483 ( -1.051 0.000 0.839) 1.344 17.584 ( 11.547 0.000 -13.282) 17.600 18.645 ( 4.794 0.000 13.569) 14.391 18.667 ( -10.368 0.000 -0.485) 10.379 19.121 ( -8.731 0.000 2.046) 8.968 19.763 ( -8.299 0.000 -12.581) 15.072 23.628 ( -3.717 0.000 2.324) 4.384 24.091 ( 5.203 0.000 1.301) 5.363 24.397 ( 1.675 0.000 3.068) 3.496 ======================= Grid point 5 (6/260) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( -0.000 0.000 -0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.775 ( -0.000 0.000 0.000) 0.000 2.922 ( 0.000 0.000 -0.000) 0.000 3.978 ( 0.000 0.000 -0.000) 0.000 4.575 ( 0.000 0.000 -0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 -0.000) 0.000 5.722 ( 0.000 0.000 -0.000) 0.000 5.815 ( 0.000 0.000 -0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 -0.000) 0.000 6.760 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.307 ( -0.000 0.000 -0.000) 0.000 7.478 ( 0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 -0.000) 0.000 8.267 ( 0.000 0.000 -0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 10.696 ( 0.000 0.000 -0.000) 0.000 11.072 ( 0.000 0.000 -0.000) 0.000 11.372 ( 0.000 0.000 0.000) 0.000 12.235 ( 0.000 0.000 -0.000) 0.000 12.627 ( 0.000 0.000 0.000) 0.000 14.103 ( 0.000 0.000 0.000) 0.000 14.135 ( -0.000 0.000 -0.000) 0.000 14.626 ( 0.000 0.000 0.000) 0.000 15.478 ( 0.000 0.000 -0.000) 0.000 17.690 ( 0.000 0.000 0.000) 0.000 18.545 ( 0.000 0.000 0.000) 0.000 18.730 ( 0.000 0.000 -0.000) 0.000 19.029 ( 0.000 0.000 -0.000) 0.000 19.658 ( 0.000 0.000 0.000) 0.000 23.593 ( 0.000 0.000 -0.000) 0.000 24.145 ( 0.000 0.000 -0.000) 0.000 24.417 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/260) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 0.000 27.775 0.000) 27.775 0.642 ( 0.000 30.877 0.000) 30.877 1.041 ( 0.000 49.461 0.000) 49.461 3.551 ( 0.000 -4.362 0.000) 4.362 3.797 ( 0.000 9.040 0.000) 9.040 4.614 ( 0.000 -16.910 0.000) 16.910 4.706 ( 0.000 4.468 0.000) 4.468 4.868 ( 0.000 2.708 0.000) 2.708 5.059 ( 0.000 -2.141 0.000) 2.141 5.360 ( 0.000 12.326 0.000) 12.326 5.632 ( 0.000 18.919 0.000) 18.919 6.072 ( 0.000 3.488 0.000) 3.488 6.195 ( 0.000 5.910 0.000) 5.910 6.789 ( 0.000 2.396 0.000) 2.396 8.195 ( 0.000 -3.806 0.000) 3.806 8.380 ( 0.000 0.958 0.000) 0.958 8.683 ( 0.000 -2.954 0.000) 2.954 8.757 ( 0.000 0.222 0.000) 0.222 9.289 ( 0.000 3.031 0.000) 3.031 9.488 ( 0.000 3.718 0.000) 3.718 10.228 ( 0.000 -1.337 0.000) 1.337 11.936 ( 0.000 -17.479 0.000) 17.479 12.192 ( 0.000 3.111 0.000) 3.111 12.628 ( 0.000 9.751 0.000) 9.751 13.926 ( 0.000 -4.549 0.000) 4.549 14.894 ( 0.000 6.078 0.000) 6.078 14.901 ( 0.000 -2.468 0.000) 2.468 15.934 ( 0.000 -1.786 0.000) 1.786 15.937 ( 0.000 -10.990 0.000) 10.990 19.468 ( 0.000 -1.739 0.000) 1.739 19.656 ( 0.000 1.981 0.000) 1.981 19.774 ( 0.000 4.722 0.000) 4.722 20.697 ( 0.000 -0.676 0.000) 0.676 21.115 ( 0.000 -5.276 0.000) 5.276 24.096 ( 0.000 2.638 0.000) 2.638 24.561 ( 0.000 -0.668 0.000) 0.668 ======================= Grid point 12 (8/260) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 16.273 20.663 9.200) 27.864 0.935 ( 24.539 19.741 9.140) 32.794 1.608 ( 45.723 29.353 6.359) 54.705 3.587 ( 2.358 -4.056 8.010) 9.283 3.769 ( -2.783 8.132 -2.424) 8.930 4.658 ( -0.050 -6.590 -0.384) 6.601 4.690 ( -0.455 -4.952 6.372) 8.083 4.857 ( -0.644 2.498 -15.908) 16.116 5.040 ( 2.351 2.691 8.574) 9.289 5.387 ( 2.625 12.158 1.053) 12.482 5.676 ( 3.584 16.380 4.045) 17.249 6.155 ( -0.472 2.588 3.106) 4.071 6.761 ( 13.181 -11.419 -0.848) 17.460 6.788 ( 20.004 -7.316 -10.042) 23.549 8.061 ( -11.865 2.908 3.710) 12.767 8.279 ( -2.409 4.962 -9.148) 10.682 8.573 ( -4.450 -4.395 -7.223) 9.554 8.703 ( -4.920 2.044 -12.906) 13.963 9.415 ( -2.773 3.790 5.770) 7.440 9.956 ( 31.751 -28.639 53.189) 68.245 10.333 ( 9.923 -0.148 -4.781) 11.015 11.963 ( 1.054 -13.585 9.629) 16.684 12.146 ( -5.499 4.159 1.126) 6.986 12.689 ( 5.446 9.174 4.718) 11.666 13.110 ( -45.414 39.830 18.829) 63.273 14.804 ( -3.724 -0.382 -3.544) 5.155 14.945 ( 2.033 1.602 2.686) 3.730 15.799 ( -6.990 -6.354 0.581) 9.464 16.476 ( 32.416 -22.383 -50.092) 63.726 18.755 ( -27.089 25.251 -17.087) 40.785 19.427 ( -7.215 0.428 0.001) 7.228 19.733 ( -4.777 5.535 0.182) 7.314 20.579 ( -10.299 -0.870 -6.792) 12.368 22.437 ( 54.218 -52.299 32.749) 82.142 24.062 ( -3.392 2.910 -0.144) 4.471 24.452 ( -7.523 7.021 8.028) 13.051 ======================= Grid point 13 (9/260) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 24.584 8.677 7.306) 27.074 1.457 ( 26.162 15.328 5.390) 30.797 2.588 ( 48.737 12.228 10.655) 51.365 3.652 ( 0.125 -1.999 10.154) 10.349 3.675 ( -5.116 5.561 -1.932) 7.800 4.461 ( -14.696 5.987 -1.221) 15.916 4.779 ( 2.672 -6.714 -3.163) 7.887 4.890 ( 8.943 -2.617 -2.990) 9.787 5.168 ( 8.356 2.831 2.517) 9.175 5.472 ( 5.622 10.656 2.617) 12.329 5.771 ( 5.196 10.895 0.988) 12.111 6.156 ( -0.236 3.502 4.771) 5.923 6.733 ( -1.777 3.576 -2.353) 4.635 7.162 ( 10.299 -8.040 -11.111) 17.151 7.871 ( -8.345 -0.634 4.618) 9.559 8.196 ( -5.490 2.326 -8.961) 10.763 8.403 ( -13.003 -0.813 0.881) 13.058 8.566 ( -4.530 2.851 -14.377) 15.341 9.439 ( 5.234 0.698 3.952) 6.595 10.473 ( 11.464 -10.867 14.317) 21.319 10.580 ( 14.961 -11.870 19.194) 27.077 11.865 ( -15.337 13.964 8.113) 22.272 12.102 ( 3.092 -5.588 14.430) 15.780 12.621 ( -9.031 20.378 0.868) 22.306 12.892 ( 12.468 6.026 -1.323) 13.911 14.721 ( -4.256 -3.799 -3.082) 6.484 14.981 ( 0.449 3.375 2.054) 3.976 15.626 ( -9.920 -8.268 -0.720) 12.934 16.920 ( 24.862 -12.481 -35.744) 45.294 18.497 ( -3.209 11.384 3.373) 12.300 19.222 ( -13.612 -1.028 1.402) 13.723 19.595 ( -9.355 5.941 0.857) 11.115 20.301 ( -14.608 -1.104 -12.640) 19.349 23.183 ( 22.132 -35.177 18.160) 45.354 23.982 ( -3.644 3.881 -0.718) 5.371 24.376 ( -2.504 5.770 6.636) 9.144 ======================= Grid point 14 (10/260) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 25.458 4.052 7.095) 26.737 1.971 ( 25.186 12.464 2.489) 28.211 3.320 ( 5.156 2.584 -0.359) 5.778 3.640 ( -6.409 -0.422 10.298) 12.137 3.663 ( 21.831 4.201 3.827) 22.559 4.173 ( -11.376 6.661 -2.010) 13.335 4.794 ( 0.135 0.289 0.396) 0.509 5.127 ( 13.662 -4.003 -2.546) 14.462 5.360 ( 10.525 1.634 2.469) 10.934 5.612 ( 7.331 7.463 5.891) 12.007 5.882 ( 6.671 5.470 -4.746) 9.846 6.159 ( -1.137 4.997 5.478) 7.501 6.704 ( -0.225 3.582 -2.068) 4.143 7.221 ( -0.576 2.400 -6.175) 6.650 7.738 ( -6.564 -4.453 2.039) 8.190 7.998 ( -11.914 1.701 -13.723) 18.253 8.117 ( -15.119 2.159 3.389) 15.644 8.457 ( -4.196 3.939 -6.824) 8.927 9.628 ( 12.396 0.013 -0.263) 12.399 10.636 ( 5.385 0.471 -1.136) 5.523 10.871 ( 8.391 -10.890 24.507) 28.099 11.594 ( -11.669 14.412 1.709) 18.623 12.227 ( 4.278 0.162 20.586) 21.026 12.541 ( 0.258 4.964 -12.954) 13.874 13.198 ( 18.118 1.235 3.030) 18.412 14.614 ( -6.508 -7.329 -2.326) 10.073 14.932 ( -6.647 5.378 0.048) 8.551 15.457 ( -5.811 -8.486 0.242) 10.288 17.312 ( 22.104 -2.577 -24.523) 33.115 18.533 ( 3.530 4.237 12.250) 13.434 18.927 ( -15.692 -1.665 1.294) 15.834 19.377 ( -12.792 5.004 2.282) 13.924 19.990 ( -13.106 -1.701 -15.411) 20.302 23.492 ( 6.527 -19.123 11.481) 23.240 23.966 ( 3.432 0.718 -1.842) 3.960 24.355 ( -1.449 1.042 4.584) 4.919 ======================= Grid point 15 (11/260) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( 24.099 3.148 7.606) 25.466 2.453 ( 23.523 9.100 0.511) 25.227 3.095 ( -16.779 4.983 -7.601) 19.082 3.383 ( -19.150 4.759 3.922) 20.119 3.978 ( -1.298 -2.519 2.597) 3.844 4.296 ( 21.149 1.696 3.860) 21.565 4.796 ( -0.048 0.017 1.221) 1.222 5.346 ( 8.358 2.285 -4.348) 9.695 5.596 ( 12.085 -0.178 4.102) 12.763 5.762 ( 5.914 4.448 8.286) 11.109 6.010 ( 7.162 2.116 -6.532) 9.921 6.112 ( -5.004 4.693 2.347) 7.251 6.729 ( 2.878 2.153 0.794) 3.681 7.171 ( -2.214 2.675 -0.182) 3.477 7.573 ( -12.138 -1.130 -4.912) 13.143 7.744 ( -7.029 7.420 -12.026) 15.783 7.870 ( -10.309 0.602 5.536) 11.717 8.378 ( -2.578 4.600 -2.110) 5.680 9.866 ( 10.563 1.900 -1.691) 10.865 10.693 ( 1.035 1.082 -1.288) 1.975 11.029 ( 3.160 -3.328 16.497) 17.123 11.433 ( -4.636 6.949 -3.174) 8.937 12.335 ( 1.766 8.123 17.662) 19.520 12.537 ( 2.139 -3.951 -13.757) 14.472 13.599 ( 21.537 -3.320 4.073) 22.169 14.414 ( -14.705 -10.454 -2.392) 18.200 14.766 ( -7.257 7.059 -1.296) 10.207 15.409 ( -0.347 -6.802 0.910) 6.872 17.644 ( 15.238 5.396 -14.572) 21.764 18.639 ( 2.339 -0.442 11.518) 11.761 18.674 ( -8.211 0.802 2.104) 8.514 19.137 ( -10.858 1.602 2.130) 11.180 19.738 ( -8.678 -2.383 -12.270) 15.216 23.545 ( -0.822 -7.384 4.579) 8.727 24.090 ( 7.730 -2.801 -0.632) 8.246 24.324 ( -2.821 -4.342 2.778) 5.876 ======================= Grid point 16 (12/260) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -0.000 0.553 -0.000) 0.553 2.711 ( 0.000 5.929 0.000) 5.929 2.823 ( 0.000 5.190 0.000) 5.190 3.061 ( 0.000 11.324 0.000) 11.324 3.964 ( 0.000 -1.758 -0.000) 1.758 4.524 ( 0.000 -2.939 0.000) 2.939 4.797 ( 0.000 -0.396 -0.000) 0.396 5.423 ( 0.000 4.147 0.000) 4.147 5.740 ( 0.000 0.382 -0.000) 0.382 5.881 ( 0.000 5.947 -0.000) 5.947 6.006 ( 0.000 1.803 -0.000) 1.803 6.087 ( 0.000 0.608 -0.000) 0.608 6.777 ( 0.000 1.843 0.000) 1.843 7.172 ( 0.000 -7.073 -0.000) 7.073 7.370 ( -0.000 8.477 -0.000) 8.477 7.674 ( -0.000 16.671 0.000) 16.671 7.771 ( 0.000 -5.417 -0.000) 5.417 8.350 ( 0.000 4.592 -0.000) 4.592 9.977 ( -0.000 3.739 0.000) 3.739 10.695 ( 0.000 -0.039 -0.000) 0.039 11.078 ( 0.000 0.618 0.000) 0.618 11.387 ( 0.000 2.670 0.000) 2.670 12.372 ( 0.000 11.823 0.000) 11.823 12.546 ( 0.000 -7.613 -0.000) 7.613 14.035 ( 0.000 -9.158 0.000) 9.158 14.040 ( -0.000 -5.822 -0.000) 5.822 14.695 ( 0.000 6.196 -0.000) 6.196 15.411 ( 0.000 -6.212 -0.000) 6.212 17.786 ( 0.000 8.843 0.000) 8.843 18.596 ( 0.000 4.796 0.000) 4.796 18.678 ( 0.000 -4.464 -0.000) 4.464 19.026 ( 0.000 -0.660 -0.000) 0.660 19.630 ( 0.000 -2.778 -0.000) 2.778 23.537 ( 0.000 -4.567 -0.000) 4.567 24.197 ( 0.000 4.342 -0.000) 4.342 24.273 ( -0.000 -13.613 0.000) 13.613 ======================= Grid point 22 (13/260) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 0.000 26.715 0.000) 26.715 1.256 ( 0.000 28.741 0.000) 28.741 1.992 ( 0.000 42.272 0.000) 42.272 3.416 ( 0.000 -8.815 0.000) 8.815 4.061 ( 0.000 16.448 0.000) 16.448 4.219 ( 0.000 -20.454 0.000) 20.454 4.828 ( 0.000 6.352 0.000) 6.352 4.977 ( 0.000 7.154 0.000) 7.154 5.003 ( 0.000 -3.103 0.000) 3.103 5.622 ( 0.000 12.737 0.000) 12.737 6.030 ( 0.000 14.535 0.000) 14.535 6.217 ( 0.000 13.753 0.000) 13.753 6.257 ( 0.000 -2.335 0.000) 2.335 6.898 ( 0.000 8.672 0.000) 8.672 8.115 ( 0.000 -3.528 0.000) 3.528 8.397 ( 0.000 0.540 0.000) 0.540 8.601 ( 0.000 -4.486 0.000) 4.486 8.768 ( 0.000 1.108 0.000) 1.108 9.411 ( 0.000 9.512 0.000) 9.512 9.581 ( 0.000 4.857 0.000) 4.857 10.180 ( 0.000 -3.535 0.000) 3.535 11.530 ( 0.000 -21.708 0.000) 21.708 12.299 ( 0.000 7.583 0.000) 7.583 12.804 ( 0.000 7.158 0.000) 7.158 13.830 ( 0.000 -4.260 0.000) 4.260 14.833 ( 0.000 -3.981 0.000) 3.981 15.005 ( 0.000 2.403 0.000) 2.403 15.651 ( 0.000 -14.716 0.000) 14.716 15.886 ( 0.000 -2.758 0.000) 2.758 19.430 ( 0.000 -1.819 0.000) 1.819 19.701 ( 0.000 2.220 0.000) 2.220 19.907 ( 0.000 7.908 0.000) 7.908 20.678 ( 0.000 -1.073 0.000) 1.073 20.967 ( 0.000 -8.743 0.000) 8.743 24.168 ( 0.000 4.224 0.000) 4.224 24.539 ( 0.000 -1.512 0.000) 1.512 ======================= Grid point 23 (14/260) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 8.406 25.847 6.602) 27.970 1.379 ( 15.275 23.046 6.900) 28.497 2.276 ( 26.350 32.566 0.157) 41.891 3.461 ( 3.276 -8.253 7.405) 11.562 3.995 ( -5.191 12.051 -3.001) 13.460 4.306 ( 8.051 -16.109 -1.654) 18.085 4.799 ( -6.616 5.009 0.988) 8.357 4.937 ( 2.333 3.996 -11.706) 12.588 5.094 ( 5.761 4.323 8.641) 11.249 5.648 ( 1.496 12.679 3.716) 13.297 6.031 ( -0.805 12.463 -1.570) 12.587 6.215 ( 0.453 6.057 7.369) 9.550 6.518 ( 20.032 -5.875 -0.770) 20.890 6.909 ( 2.127 8.663 -2.770) 9.340 8.064 ( -5.882 -1.229 4.585) 7.559 8.373 ( -2.239 3.021 -4.644) 5.976 8.479 ( -7.577 -3.020 -2.898) 8.656 8.744 ( -1.942 2.427 -9.780) 10.262 9.488 ( -6.959 2.396 5.157) 8.987 9.723 ( 22.616 0.649 26.304) 34.696 10.322 ( 12.619 -1.163 -5.701) 13.896 11.590 ( 5.981 -20.910 0.625) 21.758 12.266 ( -3.479 8.101 0.083) 8.817 12.852 ( 4.794 6.588 0.798) 8.187 13.541 ( -25.878 8.596 13.551) 30.450 14.772 ( -5.388 -2.930 -4.916) 7.860 14.996 ( 0.678 1.341 4.909) 5.134 15.576 ( -6.991 -13.592 -1.500) 15.358 16.175 ( 26.718 -8.217 -21.531) 35.284 19.056 ( -26.755 6.108 -12.050) 29.972 19.472 ( -8.888 3.957 -5.746) 11.299 19.880 ( -4.535 8.483 0.631) 9.640 20.556 ( -10.640 -1.279 -5.960) 12.262 21.684 ( 45.268 -25.654 26.325) 58.313 24.135 ( -3.132 4.180 -0.493) 5.247 24.503 ( -3.391 -0.217 2.011) 3.949 ======================= Grid point 24 (15/260) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 15.741 19.369 4.108) 25.294 1.786 ( 22.051 16.340 7.141) 28.359 2.890 ( 32.329 15.065 3.764) 35.865 3.550 ( 2.751 -6.967 11.686) 13.880 3.864 ( -7.340 10.714 -1.668) 13.094 4.509 ( 12.795 -13.116 -4.540) 18.877 4.592 ( -11.806 5.737 -6.154) 14.497 5.004 ( 4.795 8.145 -1.613) 9.588 5.247 ( 8.237 5.464 3.963) 10.650 5.687 ( 1.475 9.324 4.955) 10.661 6.008 ( 0.091 9.537 -3.924) 10.313 6.257 ( 1.240 6.747 9.033) 11.342 6.762 ( 3.455 -2.166 -0.721) 4.141 7.036 ( 10.766 -2.315 -5.334) 12.235 7.922 ( -9.107 3.540 7.461) 12.294 8.279 ( -5.568 7.742 -9.612) 13.540 8.339 ( -7.589 -4.539 2.683) 9.241 8.645 ( -5.386 4.544 -11.681) 13.642 9.442 ( 2.874 -0.755 3.030) 4.244 10.236 ( 20.609 -4.705 29.154) 36.011 10.570 ( 12.944 1.295 -5.348) 14.065 11.751 ( 9.404 -17.650 -0.073) 19.999 12.155 ( -7.783 9.920 0.703) 12.628 12.990 ( 7.960 5.617 4.830) 10.874 13.083 ( -19.847 16.762 8.317) 27.277 14.628 ( -7.994 -5.492 -5.046) 10.933 15.044 ( 2.150 1.037 4.701) 5.273 15.396 ( -10.075 -11.923 -2.594) 15.824 16.703 ( 31.205 -7.655 -23.175) 39.616 18.677 ( -9.980 4.892 -3.335) 11.604 19.241 ( -14.346 3.454 -0.403) 14.761 19.742 ( -9.789 7.924 1.381) 12.669 20.269 ( -15.530 -1.983 -11.461) 19.403 22.501 ( 31.521 -29.665 20.917) 48.074 24.055 ( -4.370 3.666 -1.678) 5.945 24.436 ( -3.678 0.592 2.532) 4.504 ======================= Grid point 25 (16/260) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 21.107 11.487 2.507) 24.161 2.232 ( 21.483 12.345 4.529) 25.188 3.375 ( 8.812 2.117 -0.706) 9.090 3.588 ( -2.577 -4.607 10.315) 11.587 3.763 ( 1.292 4.569 4.685) 6.670 4.380 ( -5.318 12.802 -4.068) 14.447 4.742 ( 9.767 -5.215 -6.045) 12.615 5.124 ( 8.840 4.967 1.216) 10.213 5.430 ( 9.531 4.421 1.787) 10.657 5.735 ( 2.550 3.646 5.834) 7.337 6.039 ( 4.078 9.644 -5.211) 11.695 6.276 ( -1.848 4.985 7.337) 9.060 6.776 ( -0.042 3.404 -0.945) 3.533 7.157 ( 1.511 -9.133 -5.898) 10.977 7.774 ( -7.339 6.695 9.004) 13.408 8.106 ( -10.154 8.880 -10.127) 16.867 8.191 ( -6.690 6.125 1.602) 9.211 8.506 ( -5.706 1.652 -7.640) 9.678 9.613 ( 13.153 -1.706 -0.639) 13.279 10.603 ( 10.370 -2.840 14.723) 18.231 10.795 ( 10.498 1.740 5.980) 12.206 11.823 ( -6.096 4.810 -7.617) 10.877 12.089 ( 5.277 -5.725 7.324) 10.689 12.804 ( -9.924 15.451 6.428) 19.456 13.214 ( 12.868 0.163 2.115) 13.041 14.430 ( -11.464 -10.856 -3.201) 16.110 15.052 ( -4.230 5.954 1.490) 7.454 15.232 ( -3.628 -12.155 -0.985) 12.723 17.265 ( 30.786 -1.539 -20.868) 37.224 18.602 ( 0.630 1.035 5.827) 5.952 18.929 ( -16.482 3.200 1.303) 16.840 19.503 ( -15.060 6.752 3.664) 16.907 19.937 ( -14.394 -3.353 -14.143) 20.456 23.033 ( 19.221 -23.845 15.144) 34.166 23.971 ( -3.381 0.025 -3.658) 4.981 24.372 ( -3.385 0.520 2.284) 4.116 ======================= Grid point 26 (17/260) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 22.230 5.626 1.257) 22.965 2.627 ( 16.843 6.895 3.939) 18.621 3.244 ( -13.495 9.313 -5.475) 17.287 3.457 ( -11.593 2.160 5.502) 13.013 3.849 ( 1.346 -9.700 2.737) 10.169 4.453 ( 9.594 13.098 3.523) 16.613 4.824 ( 0.959 2.897 -2.967) 4.256 5.345 ( 10.940 -1.993 -3.419) 11.634 5.614 ( 8.199 0.458 1.242) 8.305 5.834 ( 6.691 2.659 6.795) 9.900 6.119 ( 4.374 8.462 -3.783) 10.249 6.204 ( -6.897 3.331 3.661) 8.489 6.787 ( 1.448 3.181 2.157) 4.107 7.078 ( -6.646 -10.915 -7.156) 14.646 7.691 ( -3.054 9.335 8.297) 12.857 7.868 ( -10.577 11.157 -6.879) 16.843 8.109 ( -1.944 17.923 -1.620) 18.101 8.403 ( -3.342 -2.072 -3.330) 5.152 9.892 ( 13.666 -0.129 -1.522) 13.751 10.710 ( 0.412 -0.034 0.009) 0.413 11.002 ( 6.982 1.127 15.037) 16.617 11.631 ( -8.202 12.247 -7.805) 16.679 12.257 ( 7.151 -11.120 5.289) 14.240 12.683 ( -4.078 12.912 1.582) 13.632 13.501 ( 15.576 -6.090 2.732) 16.946 14.161 ( -15.119 -14.029 -1.890) 20.711 14.924 ( -5.960 8.377 -1.705) 10.421 15.231 ( 1.155 -9.775 1.184) 9.914 17.776 ( 24.228 6.694 -17.151) 30.429 18.654 ( -8.371 2.539 7.232) 11.350 18.681 ( 1.889 -0.680 6.102) 6.424 19.189 ( -16.513 3.572 3.088) 17.174 19.666 ( -9.692 -4.644 -11.191) 15.516 23.341 ( 9.423 -12.672 9.333) 18.343 23.914 ( -1.291 -11.231 -4.267) 12.083 24.316 ( -2.602 2.132 1.520) 3.692 ======================= Grid point 27 (18/260) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -0.000 0.565 0.000) 0.565 2.756 ( 0.000 -1.721 0.000) 1.721 3.061 ( 0.000 17.161 0.000) 17.161 3.284 ( -0.000 8.861 0.000) 8.861 3.857 ( 0.000 -9.434 -0.000) 9.434 4.578 ( 0.000 9.871 0.000) 9.871 4.821 ( 0.000 2.930 -0.000) 2.930 5.452 ( 0.000 -2.415 0.000) 2.415 5.704 ( 0.000 -3.780 -0.000) 3.780 6.028 ( -0.000 -0.354 -0.000) 0.354 6.030 ( 0.000 7.766 0.000) 7.766 6.163 ( 0.000 7.057 0.000) 7.057 6.833 ( 0.000 3.148 0.000) 3.148 6.958 ( 0.000 -12.349 -0.000) 12.349 7.700 ( 0.000 23.661 0.000) 23.661 7.716 ( 0.000 -0.082 -0.000) 0.082 8.091 ( 0.000 22.614 0.000) 22.614 8.366 ( 0.000 -3.723 -0.000) 3.723 10.048 ( -0.000 1.762 0.000) 1.762 10.694 ( 0.000 -0.068 -0.000) 0.068 11.097 ( 0.000 1.208 0.000) 1.208 11.530 ( -0.000 11.856 0.000) 11.856 12.340 ( 0.000 -11.568 -0.000) 11.568 12.644 ( 0.000 13.006 0.000) 13.006 13.785 ( 0.000 -14.783 -0.000) 14.783 13.883 ( -0.000 -8.989 -0.000) 8.989 14.859 ( 0.000 9.470 -0.000) 9.470 15.246 ( 0.000 -9.260 -0.000) 9.260 18.023 ( 0.000 13.604 0.000) 13.604 18.578 ( -0.000 -4.553 0.000) 4.553 18.730 ( 0.000 7.758 -0.000) 7.758 18.987 ( 0.000 -3.339 -0.000) 3.339 19.547 ( 0.000 -5.154 -0.000) 5.154 23.444 ( 0.000 -3.887 -0.000) 3.887 23.899 ( 0.000 -21.575 0.000) 21.575 24.290 ( 0.000 4.145 0.000) 4.145 ======================= Grid point 33 (19/260) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 0.000 23.803 0.000) 23.803 1.804 ( 0.000 24.046 0.000) 24.046 2.723 ( 0.000 27.899 0.000) 27.899 3.198 ( 0.000 -11.956 0.000) 11.956 3.797 ( 0.000 -20.153 0.000) 20.153 4.465 ( 0.000 22.469 0.000) 22.469 4.936 ( 0.000 3.877 0.000) 3.877 4.946 ( 0.000 -1.824 0.000) 1.824 5.137 ( 0.000 7.691 0.000) 7.691 5.860 ( 0.000 9.928 0.000) 9.928 6.066 ( 0.000 -15.773 0.000) 15.773 6.192 ( 0.000 4.684 0.000) 4.684 6.583 ( 0.000 16.731 0.000) 16.731 7.116 ( 0.000 11.553 0.000) 11.553 8.029 ( 0.000 -6.067 0.000) 6.067 8.396 ( 0.000 -0.680 0.000) 0.680 8.540 ( 0.000 -0.505 0.000) 0.505 8.823 ( 0.000 4.696 0.000) 4.696 9.671 ( 0.000 3.621 0.000) 3.621 9.683 ( 0.000 16.430 0.000) 16.430 10.081 ( 0.000 -5.818 0.000) 5.818 11.062 ( 0.000 -23.573 0.000) 23.573 12.503 ( 0.000 11.888 0.000) 11.888 12.919 ( 0.000 4.138 0.000) 4.138 13.764 ( 0.000 -2.097 0.000) 2.097 14.750 ( 0.000 -3.731 0.000) 3.731 14.873 ( 0.000 -15.346 0.000) 15.346 15.473 ( 0.000 -1.469 0.000) 1.469 15.830 ( 0.000 -2.446 0.000) 2.446 19.398 ( 0.000 -1.248 0.000) 1.248 19.742 ( 0.000 1.637 0.000) 1.637 20.085 ( 0.000 9.235 0.000) 9.235 20.656 ( 0.000 -0.985 0.000) 0.985 20.772 ( 0.000 -9.932 0.000) 9.932 24.261 ( 0.000 4.641 0.000) 4.641 24.498 ( 0.000 -2.519 0.000) 2.519 ======================= Grid point 34 (20/260) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 9.774 22.385 4.099) 24.767 1.853 ( 5.638 22.271 3.322) 23.213 2.846 ( 11.844 21.228 0.052) 24.309 3.257 ( 4.724 -11.095 6.564) 13.730 3.856 ( 5.921 -17.511 -3.576) 18.828 4.427 ( -2.857 19.304 -1.757) 19.593 4.852 ( -6.514 1.572 -5.744) 8.826 5.003 ( 5.651 2.933 -2.055) 6.691 5.241 ( 8.425 8.403 4.925) 12.879 5.862 ( -2.450 5.372 4.402) 7.365 6.047 ( 2.148 -5.356 -3.058) 6.531 6.307 ( 6.266 -1.741 9.313) 11.358 6.596 ( 2.658 12.370 -3.385) 13.097 7.102 ( -1.473 9.618 1.181) 9.802 8.009 ( -2.405 -4.621 3.638) 6.354 8.309 ( -5.644 -5.179 -4.869) 9.077 8.568 ( 0.285 7.451 4.380) 8.648 8.831 ( 0.638 6.854 -4.996) 8.506 9.513 ( -10.541 0.183 3.893) 11.239 9.859 ( 14.696 10.689 13.777) 22.804 10.284 ( 16.260 -2.098 -6.557) 17.657 11.137 ( 7.629 -22.796 -0.124) 24.039 12.481 ( -2.233 12.403 -0.554) 12.614 12.957 ( 3.714 3.548 -0.261) 5.142 13.628 ( -13.590 1.898 8.161) 15.965 14.682 ( -7.177 -6.795 -3.614) 10.524 14.875 ( 0.867 -12.242 3.651) 12.804 15.408 ( -4.909 -1.192 -0.990) 5.148 16.071 ( 23.157 -3.005 -12.480) 26.477 19.103 ( -23.641 0.099 -4.406) 24.048 19.559 ( -8.146 3.798 -11.826) 14.854 20.063 ( -5.121 8.900 1.570) 10.387 20.531 ( -11.198 -1.127 -5.442) 12.501 21.271 ( 35.274 -15.787 21.011) 43.988 24.227 ( -3.263 4.623 -0.541) 5.684 24.473 ( -2.336 -2.344 0.464) 3.342 ======================= Grid point 35 (21/260) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 8.629 20.681 0.351) 22.411 2.114 ( 16.610 15.074 7.469) 23.642 3.132 ( 15.329 7.311 1.276) 17.031 3.378 ( 4.589 -9.438 10.049) 14.530 3.953 ( 1.661 -4.775 -1.384) 5.242 4.397 ( 2.628 2.587 -5.903) 6.961 4.724 ( -2.941 10.139 -6.537) 12.417 5.138 ( 7.805 4.421 -1.363) 9.073 5.428 ( 8.497 11.287 5.132) 15.031 5.781 ( -5.058 -1.519 2.046) 5.664 6.131 ( 5.222 4.226 0.425) 6.731 6.374 ( -1.565 1.069 9.033) 9.230 6.702 ( 7.839 -0.687 -5.070) 9.360 7.062 ( -3.257 3.491 1.828) 5.112 7.958 ( -3.790 0.205 5.306) 6.524 8.200 ( -4.673 -6.864 1.873) 8.513 8.558 ( -1.347 14.405 -1.653) 14.562 8.779 ( -5.381 10.209 -6.940) 13.466 9.406 ( 0.778 -2.744 1.362) 3.161 10.231 ( 16.782 1.737 18.634) 25.137 10.592 ( 15.857 1.577 -4.791) 16.640 11.353 ( 13.887 -19.822 0.239) 24.204 12.407 ( -5.313 14.176 -1.834) 15.250 13.051 ( 5.374 0.775 -1.426) 5.614 13.342 ( -15.769 8.981 11.800) 21.646 14.464 ( -13.658 -11.531 -3.230) 18.164 14.923 ( 2.778 -10.082 2.972) 10.872 15.302 ( -5.355 2.109 -1.967) 6.082 16.602 ( 33.333 -2.719 -17.352) 37.678 18.709 ( -13.551 -0.612 -2.391) 13.774 19.347 ( -12.155 5.860 -6.021) 14.776 19.901 ( -11.569 7.118 2.324) 13.780 20.225 ( -17.130 -2.107 -9.414) 19.659 21.992 ( 31.546 -19.797 19.490) 42.035 24.133 ( -6.111 3.779 -1.799) 7.407 24.420 ( -2.889 -1.741 0.858) 3.480 ======================= Grid point 36 (22/260) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 13.303 13.456 -1.250) 18.963 2.457 ( 15.723 9.060 6.370) 19.232 3.381 ( 8.126 -1.742 0.684) 8.339 3.457 ( 1.476 -7.742 7.465) 10.856 3.860 ( -9.594 6.139 3.914) 12.044 4.500 ( 7.711 -7.227 -5.078) 11.725 4.785 ( 10.186 15.071 -7.509) 19.679 5.265 ( 4.330 6.326 2.044) 7.934 5.565 ( 3.545 9.661 2.040) 10.491 5.737 ( 2.108 -3.426 1.230) 4.207 6.228 ( 4.298 7.202 0.319) 8.393 6.327 ( -4.664 -0.598 7.283) 8.669 6.817 ( 4.615 -1.525 -5.189) 7.110 6.971 ( -6.191 -4.876 -0.015) 7.881 7.884 ( -5.061 3.429 4.982) 7.887 8.151 ( -1.293 -3.538 8.496) 9.293 8.516 ( -2.607 20.664 -4.355) 21.278 8.614 ( -7.593 10.949 -8.191) 15.640 9.549 ( 12.470 -4.843 -0.896) 13.408 10.529 ( 9.726 -5.493 9.275) 14.519 10.874 ( 12.407 5.878 5.101) 14.646 11.644 ( 14.660 -14.354 -0.936) 20.539 12.262 ( -8.659 16.096 -2.045) 18.391 13.025 ( -9.066 2.813 3.234) 10.028 13.242 ( 4.794 5.185 5.577) 8.999 14.158 ( -16.312 -15.629 -1.636) 22.650 14.985 ( 2.787 -9.241 1.428) 9.757 15.195 ( -5.055 5.951 -1.592) 7.969 17.254 ( 36.445 0.322 -18.814) 41.016 18.568 ( -1.576 -3.227 3.533) 5.038 19.059 ( -15.511 8.267 -3.101) 17.848 19.629 ( -16.879 4.607 4.300) 18.017 19.861 ( -16.651 -3.482 -10.183) 19.826 22.579 ( 24.546 -19.150 15.281) 34.680 23.973 ( -9.707 0.254 -3.900) 10.464 24.377 ( -1.622 -0.054 1.028) 1.921 ======================= Grid point 37 (23/260) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 15.047 4.898 -3.128) 16.130 2.708 ( 6.592 0.846 6.488) 9.287 3.409 ( -2.165 3.833 1.225) 4.569 3.500 ( 0.479 -0.626 -2.677) 2.791 3.685 ( -7.551 0.739 5.762) 9.526 4.682 ( 10.210 3.057 6.724) 12.601 4.938 ( 4.330 10.943 -12.503) 17.170 5.334 ( 2.914 2.272 4.312) 5.678 5.592 ( 0.837 -2.232 -4.467) 5.063 5.861 ( 8.047 -0.014 3.796) 8.898 6.231 ( -6.714 -1.860 6.065) 9.237 6.294 ( 2.374 6.840 -0.250) 7.244 6.826 ( -5.025 -0.998 3.506) 6.208 6.882 ( 1.261 -3.651 -9.602) 10.349 7.792 ( -4.695 2.988 3.571) 6.612 8.175 ( 0.857 -1.345 10.796) 10.913 8.392 ( -6.568 22.820 -7.972) 25.049 8.537 ( -0.131 16.776 -4.511) 17.372 9.826 ( 13.844 -7.384 -0.852) 15.713 10.664 ( 3.552 -4.568 -0.327) 5.796 11.071 ( 5.218 5.193 10.792) 13.064 11.854 ( 5.548 2.330 -7.760) 9.820 12.116 ( -3.803 5.569 4.105) 7.895 12.888 ( -4.978 4.865 3.140) 7.636 13.373 ( 6.507 -5.117 0.909) 8.327 13.855 ( -13.334 -15.194 0.174) 20.216 15.032 ( 1.951 -7.623 -1.157) 7.953 15.105 ( -3.699 7.422 0.639) 8.317 17.899 ( 32.542 5.213 -18.408) 37.749 18.630 ( 5.176 -3.724 5.648) 8.518 18.763 ( -13.003 7.743 3.283) 15.486 19.266 ( -20.870 2.628 4.998) 21.621 19.561 ( -10.947 -4.754 -8.194) 14.477 23.040 ( 19.754 -15.250 11.574) 27.509 23.734 ( -13.373 -5.727 -6.202) 15.815 24.360 ( -0.432 1.726 0.664) 1.899 ======================= Grid point 38 (24/260) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( 0.000 -4.872 -0.000) 4.872 2.693 ( -0.000 0.227 0.000) 0.227 3.412 ( -0.000 3.419 0.000) 3.419 3.454 ( 0.000 19.605 0.000) 19.605 3.626 ( 0.000 -10.708 -0.000) 10.708 4.874 ( 0.000 16.643 0.000) 16.643 4.884 ( -0.000 1.316 -0.000) 1.316 5.376 ( 0.000 -2.053 0.000) 2.053 5.596 ( 0.000 -6.543 -0.000) 6.543 5.994 ( -0.000 -2.475 -0.000) 2.475 6.126 ( 0.000 -1.316 -0.000) 1.316 6.317 ( 0.000 6.287 0.000) 6.287 6.770 ( 0.000 -2.780 0.000) 2.780 6.888 ( 0.000 2.060 -0.000) 2.060 7.745 ( 0.000 2.524 -0.000) 2.524 8.211 ( 0.000 -10.433 0.000) 10.433 8.299 ( 0.000 33.321 -0.000) 33.321 8.534 ( 0.000 19.012 0.000) 19.012 9.984 ( 0.000 -9.553 0.000) 9.553 10.692 ( 0.000 -0.185 -0.000) 0.185 11.130 ( 0.000 2.201 0.000) 2.201 11.862 ( -0.000 19.670 0.000) 19.670 12.118 ( 0.000 -9.105 -0.000) 9.105 12.843 ( 0.000 4.897 0.000) 4.897 13.458 ( 0.000 -15.709 -0.000) 15.709 13.699 ( -0.000 -8.211 0.000) 8.211 15.058 ( 0.000 -8.439 -0.000) 8.439 15.060 ( -0.000 9.329 0.000) 9.329 18.320 ( -0.000 14.909 0.000) 14.909 18.515 ( 0.000 -1.344 -0.000) 1.344 18.873 ( -0.000 4.662 -0.000) 4.662 18.892 ( 0.000 -5.597 0.000) 5.597 19.435 ( 0.000 -4.944 0.000) 4.944 23.388 ( -0.000 -1.645 -0.000) 1.645 23.454 ( 0.000 -20.095 0.000) 20.095 24.357 ( 0.000 2.392 0.000) 2.392 ======================= Grid point 44 (25/260) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.000 15.031 0.000) 15.031 2.177 ( 0.000 9.436 0.000) 9.436 2.975 ( 0.000 -7.526 0.000) 7.526 3.106 ( 0.000 9.304 0.000) 9.304 3.445 ( 0.000 -11.725 0.000) 11.725 4.817 ( 0.000 4.142 0.000) 4.142 4.987 ( 0.000 1.160 0.000) 1.160 5.073 ( 0.000 20.185 0.000) 20.185 5.258 ( 0.000 3.367 0.000) 3.367 5.652 ( 0.000 -22.727 0.000) 22.727 6.006 ( 0.000 3.877 0.000) 3.877 6.256 ( 0.000 1.544 0.000) 1.544 6.818 ( 0.000 5.721 0.000) 5.721 7.334 ( 0.000 8.098 0.000) 8.098 7.872 ( 0.000 -7.100 0.000) 7.100 8.378 ( 0.000 -0.712 0.000) 0.712 8.565 ( 0.000 1.535 0.000) 1.535 8.939 ( 0.000 4.704 0.000) 4.704 9.721 ( 0.000 1.264 0.000) 1.264 9.920 ( 0.000 -1.771 0.000) 1.771 10.109 ( 0.000 17.507 0.000) 17.507 10.583 ( 0.000 -22.300 0.000) 22.300 12.728 ( 0.000 7.637 0.000) 7.637 12.975 ( 0.000 1.346 0.000) 1.346 13.742 ( 0.000 -0.289 0.000) 0.289 14.554 ( 0.000 -10.991 0.000) 10.991 14.693 ( 0.000 -1.542 0.000) 1.542 15.490 ( 0.000 1.145 0.000) 1.145 15.794 ( 0.000 -0.971 0.000) 0.971 19.380 ( 0.000 -0.438 0.000) 0.438 19.765 ( 0.000 0.602 0.000) 0.602 20.266 ( 0.000 7.286 0.000) 7.286 20.581 ( 0.000 -7.548 0.000) 7.548 20.641 ( 0.000 -0.401 0.000) 0.401 24.353 ( 0.000 4.205 0.000) 4.205 24.436 ( 0.000 -3.427 0.000) 3.427 ======================= Grid point 45 (26/260) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 7.952 13.004 0.693) 15.259 2.217 ( 3.436 10.383 2.213) 11.158 3.040 ( 5.187 -6.081 7.240) 10.784 3.110 ( 1.051 2.622 5.384) 6.080 3.571 ( 12.590 -7.578 -9.238) 17.357 4.688 ( -11.283 3.056 -2.271) 11.908 4.998 ( 0.558 6.729 2.230) 7.111 5.104 ( 4.678 14.271 -7.288) 16.693 5.358 ( 8.199 0.021 0.769) 8.236 5.671 ( 2.113 -15.534 1.415) 15.740 6.075 ( 5.489 3.410 5.753) 8.652 6.279 ( 1.329 -0.708 4.645) 4.883 6.787 ( -2.291 4.904 -3.909) 6.677 7.275 ( -6.104 5.839 2.812) 8.903 7.891 ( 1.464 -5.037 5.649) 7.708 8.238 ( -7.997 -1.582 -7.046) 10.775 8.679 ( 4.944 2.819 6.265) 8.464 9.006 ( 5.669 7.477 3.054) 9.868 9.487 ( -14.285 -2.193 2.968) 14.754 10.066 ( 8.284 5.374 -2.636) 10.220 10.315 ( 17.750 8.907 0.288) 19.862 10.685 ( 10.405 -20.179 1.125) 22.731 12.719 ( -0.876 8.302 -1.081) 8.418 12.996 ( 1.966 0.438 -0.810) 2.172 13.658 ( -8.442 1.185 5.786) 10.303 14.456 ( -9.496 -10.282 -0.450) 14.003 14.723 ( 2.557 -2.477 0.711) 3.630 15.428 ( -4.049 1.161 0.057) 4.213 16.033 ( 22.643 -0.856 -10.119) 24.816 19.096 ( -23.241 -0.307 -1.493) 23.291 19.613 ( -6.484 1.392 -14.014) 15.504 20.215 ( -6.907 4.709 2.432) 8.706 20.514 ( -11.701 -0.417 -5.910) 13.115 21.033 ( 32.208 -6.717 18.984) 37.985 24.318 ( -3.618 3.907 -0.603) 5.359 24.414 ( -1.901 -3.134 0.024) 3.665 ======================= Grid point 46 (27/260) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 4.821 11.932 0.522) 12.880 2.360 ( 10.942 7.096 2.506) 13.280 3.174 ( 6.037 -1.607 7.763) 9.964 3.201 ( 6.192 -6.119 8.291) 12.022 3.843 ( 16.365 -2.880 -10.022) 19.405 4.422 ( -13.838 -0.416 -3.126) 14.192 5.038 ( 3.298 15.184 1.966) 15.662 5.209 ( 6.780 4.158 -5.026) 9.408 5.510 ( 6.624 -9.394 -3.207) 11.933 5.749 ( 4.977 4.325 3.139) 7.303 6.208 ( 5.783 2.699 6.753) 9.291 6.293 ( -2.414 -5.513 8.010) 10.019 6.739 ( -0.324 1.992 -7.405) 7.675 7.128 ( -8.968 2.071 3.119) 9.718 7.951 ( 2.159 -0.442 9.503) 9.755 8.088 ( -5.914 -3.149 -1.152) 6.798 8.748 ( 2.152 4.444 -1.187) 5.078 9.076 ( -1.979 15.383 1.911) 15.627 9.313 ( -1.416 -7.232 1.657) 7.553 10.228 ( 8.370 -1.776 -0.666) 8.583 10.690 ( 18.916 8.294 3.127) 20.889 10.984 ( 18.661 -14.970 3.260) 24.144 12.686 ( -2.223 10.575 -2.654) 11.127 13.021 ( -0.334 -3.125 -2.462) 3.992 13.489 ( -8.772 5.225 9.448) 13.911 14.193 ( -16.746 -10.900 -0.293) 19.983 14.786 ( 3.482 -2.962 0.886) 4.656 15.356 ( -3.265 1.814 -0.954) 3.855 16.572 ( 34.368 -0.578 -15.415) 37.671 18.689 ( -15.579 -0.746 -0.858) 15.621 19.443 ( -8.848 2.739 -10.144) 13.737 20.009 ( -14.596 2.874 1.055) 14.913 20.193 ( -18.182 -0.768 -5.386) 18.978 21.707 ( 30.633 -7.393 17.736) 36.160 24.199 ( -8.391 2.168 -1.954) 8.884 24.381 ( -1.160 -1.537 0.411) 1.969 ======================= Grid point 47 (28/260) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 5.955 9.279 0.933) 11.065 2.567 ( 8.835 1.023 0.951) 8.944 3.299 ( 4.659 -4.502 3.706) 7.464 3.346 ( 6.123 -2.157 8.010) 10.310 4.036 ( -4.100 10.560 -0.575) 11.343 4.283 ( 10.010 -11.868 -5.999) 16.644 5.129 ( 5.293 15.615 -0.543) 16.497 5.322 ( 4.760 -1.747 2.313) 5.573 5.591 ( 2.593 -6.961 -10.714) 13.037 5.842 ( 2.841 13.494 3.775) 14.297 6.205 ( -7.263 -10.322 10.060) 16.140 6.323 ( 3.862 2.254 4.353) 6.241 6.762 ( 4.402 -1.221 -8.595) 9.734 6.963 ( -7.734 0.963 2.062) 8.062 7.940 ( -4.430 2.616 2.911) 5.911 8.045 ( -0.987 -5.082 9.941) 11.208 8.777 ( 1.622 6.461 -3.155) 7.371 9.007 ( -2.089 20.411 -2.536) 20.673 9.392 ( 6.818 -10.949 1.284) 12.962 10.389 ( 8.642 -5.796 -1.680) 10.541 11.022 ( 12.513 7.009 6.951) 15.938 11.385 ( 20.330 -9.395 4.224) 22.791 12.608 ( -5.370 15.574 -4.235) 17.009 12.934 ( -7.138 -8.913 -2.137) 11.617 13.416 ( -1.329 9.035 7.923) 12.090 13.832 ( -18.716 -13.576 0.695) 23.132 14.855 ( 3.203 -3.152 0.800) 4.565 15.291 ( -3.199 2.701 -1.157) 4.344 17.266 ( 39.335 0.522 -18.242) 43.362 18.510 ( -3.312 -1.802 3.724) 5.299 19.214 ( -12.114 5.260 -9.041) 16.005 19.653 ( -20.388 -1.481 -2.461) 20.590 19.832 ( -17.894 0.444 1.961) 18.007 22.296 ( 25.835 -7.471 14.313) 30.465 23.979 ( -13.327 0.203 -3.886) 13.884 24.374 ( 0.173 -0.130 0.570) 0.610 ======================= Grid point 48 (29/260) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 5.802 3.376 0.115) 6.714 2.684 ( 2.664 -2.024 1.152) 3.539 3.362 ( 1.417 -4.615 1.097) 4.950 3.471 ( 5.235 0.737 2.933) 6.046 3.872 ( -7.893 8.986 1.214) 12.022 4.602 ( 17.701 -5.728 0.837) 18.624 5.211 ( 2.493 11.492 -3.575) 12.290 5.402 ( 2.093 2.145 7.363) 7.949 5.529 ( -5.357 -3.839 -13.610) 15.122 5.889 ( 2.125 5.008 2.600) 6.029 6.080 ( -7.302 -11.130 7.327) 15.195 6.386 ( 1.962 2.391 1.946) 3.654 6.836 ( 1.430 2.377 -4.261) 5.084 6.873 ( 0.958 -0.240 -1.025) 1.424 7.862 ( -3.774 4.160 2.494) 6.146 8.017 ( -3.247 -8.058 6.487) 10.842 8.800 ( 1.144 7.193 -1.922) 7.533 8.997 ( 0.825 30.113 -1.667) 30.170 9.544 ( 7.323 -20.609 0.083) 21.871 10.567 ( 9.749 -3.282 -2.710) 10.637 11.181 ( 1.949 4.075 7.097) 8.413 11.766 ( 16.948 -4.354 3.087) 17.768 12.444 ( -10.005 19.337 -3.094) 21.991 12.805 ( -4.475 -12.542 -1.975) 13.462 13.357 ( -8.433 3.164 1.670) 9.161 13.584 ( -3.951 -9.731 3.449) 11.054 14.909 ( 1.918 -3.356 0.462) 3.893 15.231 ( -2.377 3.553 -0.800) 4.349 17.982 ( 36.960 2.445 -19.011) 41.634 18.555 ( 5.870 -2.623 7.370) 9.780 18.940 ( -13.560 7.777 -6.394) 16.889 19.237 ( -22.569 -4.645 5.706) 23.738 19.517 ( -13.079 0.162 -0.654) 13.096 22.795 ( 22.200 -6.961 11.003) 25.737 23.667 ( -17.003 -1.374 -5.973) 18.074 24.383 ( 0.468 0.536 0.366) 0.800 ======================= Grid point 49 (30/260) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 0.000 -2.447 0.000) 2.447 2.699 ( -0.000 0.301 0.000) 0.301 3.374 ( 0.000 -4.268 0.000) 4.268 3.538 ( 0.000 0.508 0.000) 0.508 3.786 ( 0.000 10.259 -0.000) 10.259 4.837 ( 0.000 -3.795 0.000) 3.795 5.193 ( 0.000 13.666 -0.000) 13.666 5.434 ( -0.000 5.577 0.000) 5.577 5.436 ( 0.000 -9.249 -0.000) 9.249 5.948 ( -0.000 -1.469 0.000) 1.469 5.975 ( 0.000 -8.792 -0.000) 8.792 6.408 ( 0.000 2.475 0.000) 2.475 6.824 ( 0.000 3.857 0.000) 3.857 6.916 ( 0.000 0.651 -0.000) 0.651 7.821 ( 0.000 5.314 -0.000) 5.314 7.987 ( 0.000 -10.112 -0.000) 10.112 8.809 ( 0.000 7.402 -0.000) 7.402 9.007 ( 0.000 33.612 0.000) 33.612 9.625 ( 0.000 -25.076 0.000) 25.076 10.688 ( 0.000 -0.113 0.000) 0.113 11.183 ( 0.000 2.167 0.000) 2.167 11.987 ( 0.000 -3.444 0.000) 3.444 12.289 ( -0.000 20.043 -0.000) 20.043 12.758 ( 0.000 -13.011 -0.000) 13.011 13.244 ( 0.000 -3.733 0.000) 3.733 13.575 ( 0.000 -3.322 0.000) 3.322 14.928 ( 0.000 -3.521 0.000) 3.521 15.205 ( 0.000 3.983 0.000) 3.983 18.519 ( -0.000 1.095 0.000) 1.095 18.612 ( 0.000 12.590 0.000) 12.590 18.785 ( -0.000 -3.822 -0.000) 3.822 18.860 ( 0.000 -5.935 -0.000) 5.935 19.379 ( 0.000 -0.585 0.000) 0.585 23.146 ( 0.000 -8.370 0.000) 8.370 23.370 ( 0.000 -0.310 0.000) 0.310 24.389 ( 0.000 0.723 0.000) 0.723 ======================= Grid point 99 (31/260) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -3.278 0.000 28.077) 28.268 0.640 ( 13.121 0.000 33.008) 35.520 1.227 ( 7.134 0.000 63.081) 63.484 3.675 ( 7.254 0.000 7.588) 10.497 3.691 ( -1.561 0.000 -1.221) 1.981 4.454 ( 5.868 0.000 -16.858) 17.850 4.809 ( -6.433 0.000 -0.369) 6.443 5.031 ( 3.662 0.000 -5.910) 6.952 5.248 ( -9.531 0.000 14.226) 17.123 5.276 ( 11.832 0.000 7.530) 14.025 5.490 ( 6.815 0.000 8.895) 11.205 6.021 ( 1.502 0.000 0.812) 1.707 6.218 ( -7.642 0.000 7.705) 10.852 6.858 ( -1.637 0.000 8.155) 8.318 7.787 ( -0.640 0.000 -7.801) 7.827 8.207 ( 4.324 0.000 -1.680) 4.639 8.496 ( -2.160 0.000 10.416) 10.637 8.750 ( -3.034 0.000 -1.012) 3.198 9.329 ( 8.351 0.000 -6.063) 10.320 10.270 ( -5.353 0.000 2.811) 6.046 10.477 ( 77.942 0.000 -0.004) 77.942 11.187 ( 0.345 0.000 -8.135) 8.142 12.076 ( 3.155 0.000 -8.489) 9.056 12.425 ( 1.924 0.000 -5.111) 5.461 13.838 ( 42.338 0.000 2.805) 42.431 14.850 ( -0.684 0.000 2.927) 3.006 14.922 ( 0.021 0.000 -0.581) 0.581 15.806 ( 1.073 0.000 -10.191) 10.247 18.178 (-208.666 0.000 -0.841) 208.668 18.241 ( 7.016 0.000 1.245) 7.126 19.497 ( 0.262 0.000 0.794) 0.837 19.722 ( -0.281 0.000 -0.247) 0.374 20.761 ( -7.939 0.000 5.884) 9.882 22.154 ( 150.820 0.000 -2.716) 150.844 23.515 ( 1.803 0.000 1.191) 2.161 24.051 ( -0.630 0.000 -1.689) 1.802 ======================= Grid point 100 (32/260) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 21.356 0.000 18.724) 28.402 1.139 ( 22.750 0.000 29.499) 37.252 1.876 ( 40.863 0.000 44.850) 60.674 3.650 ( -2.987 0.000 -1.247) 3.236 3.844 ( 6.710 0.000 12.900) 14.541 4.478 ( -1.631 0.000 -17.787) 17.862 4.723 ( -1.410 0.000 3.374) 3.657 4.951 ( -3.225 0.000 -1.883) 3.735 5.122 ( -3.951 0.000 7.325) 8.323 5.289 ( 2.562 0.000 6.426) 6.918 5.639 ( 5.358 0.000 10.988) 12.224 6.182 ( 0.159 0.000 5.644) 5.647 6.647 ( 18.753 0.000 -13.862) 23.320 6.867 ( 4.918 0.000 0.787) 4.981 7.787 ( 2.201 0.000 -8.882) 9.151 8.210 ( -3.583 0.000 -5.650) 6.690 8.489 ( -1.212 0.000 9.460) 9.538 8.618 ( -9.247 0.000 -3.326) 9.827 9.445 ( 3.527 0.000 1.070) 3.686 10.260 ( 4.327 0.000 -1.931) 4.739 11.175 ( 0.701 0.000 -9.267) 9.293 11.566 ( 35.231 0.000 -30.203) 46.405 12.029 ( -6.388 0.000 -5.520) 8.443 12.540 ( 10.693 0.000 -3.581) 11.276 13.870 ( -51.785 0.000 51.284) 72.881 14.798 ( -2.165 0.000 -0.106) 2.168 14.926 ( 0.367 0.000 -1.239) 1.292 15.757 ( -3.576 0.000 -9.203) 9.873 16.040 ( -4.942 0.000 11.393) 12.419 18.406 ( 8.503 0.000 8.414) 11.962 19.441 ( -6.212 0.000 0.745) 6.256 19.675 ( -4.745 0.000 -0.037) 4.745 20.509 ( -17.581 0.000 -1.320) 17.630 23.618 ( 7.712 0.000 2.650) 8.154 23.879 ( 37.147 0.000 -34.697) 50.831 24.008 ( -2.856 0.000 -3.248) 4.325 ======================= Grid point 101 (33/260) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 26.126 0.000 12.132) 28.806 1.633 ( 21.186 0.000 27.518) 34.729 2.827 ( 44.611 0.000 24.696) 50.990 3.550 ( -7.213 0.000 -0.168) 7.215 3.952 ( 0.032 0.000 13.260) 13.260 4.287 ( -12.630 0.000 -9.607) 15.869 4.764 ( 2.925 0.000 2.264) 3.699 4.963 ( 4.690 0.000 -4.206) 6.300 5.174 ( 8.606 0.000 1.611) 8.756 5.409 ( 7.764 0.000 5.464) 9.494 5.751 ( 3.821 0.000 8.706) 9.508 6.199 ( 0.192 0.000 5.887) 5.890 6.709 ( -2.290 0.000 4.451) 5.006 7.021 ( 6.622 0.000 -9.662) 11.714 7.796 ( -0.276 0.000 -8.917) 8.922 8.052 ( -10.471 0.000 -9.200) 13.938 8.396 ( -12.147 0.000 -2.355) 12.373 8.486 ( -1.839 0.000 12.576) 12.710 9.508 ( 3.719 0.000 3.691) 5.240 10.395 ( 9.018 0.000 -4.558) 10.104 11.180 ( 2.174 0.000 -9.859) 10.095 11.801 ( -13.985 0.000 2.912) 14.285 11.983 ( 15.978 0.000 -23.002) 28.007 12.813 ( 17.505 0.000 -2.474) 17.679 13.115 ( -32.144 0.000 60.343) 68.370 14.763 ( -2.073 0.000 -0.412) 2.114 14.909 ( -2.458 0.000 -3.797) 4.523 15.640 ( -5.894 0.000 -6.030) 8.432 16.399 ( 27.706 0.000 -22.012) 35.386 18.606 ( 8.903 0.000 14.943) 17.395 19.258 ( -12.431 0.000 0.527) 12.442 19.543 ( -8.587 0.000 0.615) 8.609 20.114 ( -20.140 0.000 -7.813) 21.602 23.801 ( 9.675 0.000 2.827) 10.080 23.887 ( -6.945 0.000 -1.967) 7.219 24.215 ( 9.639 0.000 -14.844) 17.699 ======================= Grid point 102 (34/260) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 26.229 0.000 9.119) 27.769 2.098 ( 20.234 0.000 24.101) 31.468 3.305 ( -11.760 0.000 3.204) 12.188 3.711 ( 34.041 0.000 6.835) 34.721 3.825 ( -17.282 0.000 10.497) 20.220 4.063 ( -5.830 0.000 -6.137) 8.465 4.805 ( 0.825 0.000 0.612) 1.027 5.096 ( 9.300 0.000 -4.008) 10.126 5.441 ( 16.515 0.000 2.863) 16.761 5.606 ( 10.616 0.000 5.521) 11.966 5.833 ( 3.133 0.000 4.301) 5.321 6.198 ( -2.521 0.000 5.621) 6.160 6.688 ( -0.110 0.000 4.827) 4.828 7.080 ( 2.447 0.000 -3.345) 4.145 7.713 ( -6.172 0.000 -6.123) 8.694 7.771 ( -15.355 0.000 -10.465) 18.582 8.154 ( -11.674 0.000 -0.800) 11.701 8.474 ( -2.701 0.000 16.268) 16.491 9.636 ( 8.579 0.000 1.175) 8.659 10.556 ( 7.672 0.000 -2.645) 8.115 11.212 ( 3.266 0.000 -10.197) 10.708 11.508 ( -15.520 0.000 4.817) 16.250 12.176 ( 7.840 0.000 -15.685) 17.535 12.821 ( -11.803 0.000 39.674) 41.393 13.199 ( 22.005 0.000 -2.263) 22.121 14.715 ( -2.757 0.000 1.005) 2.934 14.766 ( -11.470 0.000 -8.638) 14.359 15.536 ( -3.214 0.000 -0.914) 3.342 16.887 ( 26.407 0.000 -19.751) 32.976 18.793 ( 4.200 0.000 16.051) 16.591 18.979 ( -14.568 0.000 2.786) 14.832 19.355 ( -10.351 0.000 1.523) 10.463 19.747 ( -13.206 0.000 -11.582) 17.565 23.739 ( -7.123 0.000 -2.364) 7.505 23.986 ( 8.071 0.000 2.039) 8.324 24.313 ( 4.001 0.000 -9.110) 9.950 ======================= Grid point 103 (35/260) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( 24.817 0.000 7.129) 25.821 2.537 ( 19.081 0.000 20.794) 28.222 3.003 ( -18.380 0.000 4.534) 18.931 3.431 ( -23.372 0.000 9.600) 25.267 3.963 ( -3.871 0.000 -6.904) 7.915 4.249 ( 18.733 0.000 -7.231) 20.081 4.803 ( -0.718 0.000 -1.723) 1.867 5.283 ( 9.451 0.000 -0.530) 9.465 5.730 ( 7.481 0.000 6.792) 10.104 5.819 ( 8.231 0.000 5.501) 9.900 5.929 ( 8.890 0.000 -1.026) 8.949 6.103 ( -7.941 0.000 3.893) 8.844 6.712 ( 0.653 0.000 -1.661) 1.785 7.181 ( 9.315 0.000 6.810) 11.539 7.440 ( -14.666 0.000 -5.550) 15.681 7.561 ( -7.071 0.000 -1.845) 7.308 7.951 ( -8.453 0.000 -0.968) 8.508 8.460 ( -2.673 0.000 18.734) 18.924 9.818 ( 8.841 0.000 -0.897) 8.886 10.673 ( 4.389 0.000 0.829) 4.466 11.230 ( -13.484 0.000 -0.510) 13.494 11.251 ( 2.876 0.000 -10.433) 10.823 12.208 ( -1.275 0.000 -9.216) 9.304 12.785 ( -0.823 0.000 24.218) 24.232 13.648 ( 24.034 0.000 -3.270) 24.256 14.428 ( -19.778 0.000 -10.879) 22.573 14.670 ( -1.974 0.000 2.277) 3.013 15.502 ( -0.959 0.000 1.251) 1.576 17.325 ( 21.726 0.000 -13.085) 25.362 18.656 ( -11.554 0.000 -0.771) 11.579 18.866 ( -6.447 0.000 8.304) 10.513 19.164 ( -8.949 0.000 2.230) 9.223 19.621 ( 2.846 0.000 -0.848) 2.970 23.612 ( -4.903 0.000 -3.702) 6.144 24.111 ( 4.002 0.000 0.740) 4.070 24.342 ( 1.106 0.000 -8.572) 8.643 ======================= Grid point 104 (36/260) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.609 ( -20.970 0.000 4.264) 21.399 2.812 ( 3.466 0.000 3.641) 5.027 2.954 ( 16.768 0.000 20.675) 26.620 3.041 ( -6.607 0.000 11.996) 13.695 3.883 ( -1.892 0.000 -9.081) 9.276 4.390 ( -1.789 0.000 -16.406) 16.503 4.775 ( -1.326 0.000 -3.633) 3.867 5.424 ( 3.925 0.000 2.678) 4.752 5.744 ( -4.323 0.000 2.072) 4.794 5.770 ( -14.878 0.000 -0.508) 14.887 6.050 ( 2.429 0.000 4.162) 4.819 6.125 ( 6.334 0.000 3.699) 7.335 6.699 ( 0.285 0.000 -5.330) 5.338 7.185 ( -6.610 0.000 1.598) 6.800 7.491 ( 1.690 0.000 0.980) 1.954 7.539 ( 19.583 0.000 15.673) 25.082 7.830 ( -3.227 0.000 -3.003) 4.408 8.462 ( -1.551 0.000 19.711) 19.772 9.936 ( 2.357 0.000 -0.109) 2.360 10.730 ( 1.156 0.000 3.330) 3.525 10.967 ( -12.463 0.000 -10.300) 16.168 11.268 ( 1.221 0.000 -10.438) 10.509 12.117 ( -5.242 0.000 -7.771) 9.374 12.846 ( 1.200 0.000 17.687) 17.728 13.943 ( -17.901 0.000 -13.825) 22.618 14.143 ( 18.551 0.000 -1.688) 18.628 14.657 ( 0.186 0.000 3.288) 3.293 15.485 ( -1.204 0.000 0.563) 1.329 17.652 ( 12.951 0.000 -3.638) 13.452 18.512 ( -2.857 0.000 -4.284) 5.149 18.685 ( -9.533 0.000 -3.127) 10.033 19.047 ( -2.528 0.000 1.611) 2.997 19.796 ( 11.177 0.000 13.541) 17.558 23.534 ( -1.895 0.000 -6.439) 6.712 24.138 ( -1.242 0.000 -0.681) 1.417 24.319 ( -1.280 0.000 -9.643) 9.727 ======================= Grid point 105 (37/260) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -23.630 0.000 6.717) 24.567 2.426 ( -27.108 0.000 9.261) 28.646 3.296 ( 12.434 0.000 17.093) 21.137 3.318 ( 14.352 0.000 0.889) 14.379 3.882 ( 5.120 0.000 -6.769) 8.488 4.092 ( -24.207 0.000 -16.292) 29.179 4.746 ( -0.284 0.000 -3.708) 3.718 5.422 ( -13.638 0.000 4.859) 14.477 5.450 ( -5.224 0.000 -7.719) 9.321 5.614 ( -8.752 0.000 0.096) 8.753 6.084 ( 0.285 0.000 2.433) 2.449 6.131 ( -6.404 0.000 7.787) 10.082 6.726 ( 2.294 0.000 2.452) 3.358 7.159 ( 2.734 0.000 4.981) 5.682 7.655 ( 13.689 0.000 2.337) 13.887 7.809 ( 2.172 0.000 -7.099) 7.424 7.973 ( 18.600 0.000 17.466) 25.515 8.501 ( 1.485 0.000 18.760) 18.819 9.882 ( -8.151 0.000 1.959) 8.383 10.679 ( -13.404 0.000 -23.604) 27.144 10.743 ( -0.642 0.000 4.351) 4.399 11.250 ( -0.460 0.000 -10.163) 10.174 11.990 ( -5.224 0.000 -9.423) 10.774 12.899 ( 0.102 0.000 17.560) 17.560 13.482 ( -22.224 0.000 -11.357) 24.958 14.550 ( 19.436 0.000 -4.281) 19.902 14.691 ( 2.162 0.000 3.820) 4.389 15.465 ( -0.183 0.000 -1.172) 1.186 17.804 ( 2.491 0.000 9.405) 9.729 18.376 ( -8.746 0.000 -14.376) 16.827 18.679 ( 9.320 0.000 0.996) 9.373 19.096 ( 7.152 0.000 -0.481) 7.168 20.069 ( 12.261 0.000 19.190) 22.773 23.497 ( -0.158 0.000 -12.482) 12.483 24.061 ( -6.167 0.000 -1.856) 6.440 24.251 ( -3.048 0.000 -10.491) 10.925 ======================= Grid point 106 (38/260) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( -25.432 0.000 9.066) 27.000 1.896 ( -29.106 0.000 10.891) 31.077 3.250 ( -35.388 0.000 -4.059) 35.620 3.470 ( 3.486 0.000 -8.230) 8.938 3.658 ( -0.938 0.000 7.373) 7.432 4.066 ( 12.563 0.000 -3.765) 13.115 4.772 ( 4.099 0.000 0.959) 4.210 5.158 ( -9.357 0.000 -8.311) 12.515 5.351 ( -7.169 0.000 3.387) 7.929 5.418 ( -10.946 0.000 0.616) 10.963 5.960 ( -11.934 0.000 9.210) 15.074 6.093 ( 0.427 0.000 1.881) 1.929 6.778 ( 1.514 0.000 8.789) 8.919 7.279 ( 7.264 0.000 5.316) 9.001 7.837 ( 3.518 0.000 -5.506) 6.534 8.012 ( 19.430 0.000 -2.233) 19.558 8.274 ( 6.847 0.000 19.617) 20.778 8.632 ( 8.094 0.000 13.887) 16.074 9.651 ( -14.638 0.000 2.118) 14.790 10.308 ( -17.843 0.000 -40.484) 44.242 10.714 ( -3.915 0.000 4.365) 5.864 11.214 ( -0.565 0.000 -9.212) 9.229 11.891 ( -1.937 0.000 -10.320) 10.500 12.939 ( -0.211 0.000 20.539) 20.540 13.052 ( -18.887 0.000 -9.590) 21.182 14.750 ( 2.685 0.000 3.881) 4.719 14.833 ( 9.653 0.000 -3.587) 10.298 15.503 ( 5.275 0.000 -4.359) 6.843 17.853 ( 0.586 0.000 25.191) 25.198 18.196 ( -5.446 0.000 -14.389) 15.385 18.940 ( 15.370 0.000 -0.062) 15.370 19.290 ( 11.674 0.000 -1.248) 11.740 20.353 ( 11.786 0.000 20.446) 23.599 23.438 ( -2.669 0.000 -26.131) 26.267 23.900 ( -9.309 0.000 -2.450) 9.626 24.160 ( -3.602 0.000 -9.023) 9.715 ======================= Grid point 107 (39/260) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -25.897 0.000 12.877) 28.922 1.346 ( -29.608 0.000 13.373) 32.488 2.334 ( -51.049 0.000 3.967) 51.203 3.495 ( 2.081 0.000 -6.808) 7.119 3.721 ( 1.136 0.000 6.686) 6.781 4.261 ( 8.446 0.000 -10.888) 13.780 4.922 ( 8.732 0.000 8.713) 12.336 5.010 ( -5.080 0.000 -5.150) 7.234 5.206 ( -7.279 0.000 2.632) 7.740 5.211 ( -9.349 0.000 2.759) 9.747 5.734 ( -12.828 0.000 8.526) 15.403 6.110 ( 0.754 0.000 2.136) 2.265 6.825 ( 0.939 0.000 10.327) 10.369 7.433 ( 6.235 0.000 4.760) 7.845 7.870 ( 1.105 0.000 -8.222) 8.296 8.367 ( -0.699 0.000 17.522) 17.535 8.393 ( 18.698 0.000 -0.259) 18.699 8.815 ( 5.862 0.000 2.150) 6.243 9.378 ( -11.841 0.000 -1.226) 11.905 9.754 ( -27.878 0.000 -50.050) 57.290 10.600 ( -8.474 0.000 3.722) 9.255 11.195 ( 0.543 0.000 -7.697) 7.717 11.884 ( 3.737 0.000 -9.745) 10.437 12.710 ( -13.715 0.000 -7.880) 15.817 13.002 ( 1.935 0.000 25.731) 25.804 14.805 ( 1.949 0.000 3.653) 4.141 14.925 ( 1.527 0.000 -1.422) 2.086 15.636 ( 8.580 0.000 -8.068) 11.777 18.050 ( 14.578 0.000 47.885) 50.055 18.110 ( -0.193 0.000 -11.109) 11.111 19.228 ( 13.054 0.000 -0.406) 13.060 19.509 ( 10.236 0.000 -0.578) 10.253 20.613 ( 9.652 0.000 18.307) 20.695 23.183 ( -17.685 0.000 -54.947) 57.723 23.706 ( -9.375 0.000 -2.186) 9.627 24.085 ( -2.138 0.000 -4.295) 4.797 ======================= Grid point 108 (40/260) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -23.312 0.000 17.693) 29.266 0.825 ( -26.086 0.000 19.455) 32.542 1.433 ( -39.312 0.000 35.378) 52.887 3.548 ( 4.532 0.000 -0.154) 4.535 3.723 ( -1.321 0.000 1.629) 2.097 4.369 ( 6.381 0.000 -15.069) 16.364 4.901 ( -4.287 0.000 4.193) 5.997 4.952 ( -7.233 0.000 0.496) 7.250 5.128 ( -0.498 0.000 0.385) 0.629 5.226 ( 7.429 0.000 16.750) 18.323 5.512 ( -10.763 0.000 5.821) 12.236 6.127 ( 0.208 0.000 1.936) 1.947 6.856 ( -0.235 0.000 9.288) 9.291 7.325 ( -35.357 0.000 -30.685) 46.815 7.839 ( -2.004 0.000 -7.827) 8.080 8.264 ( -14.338 0.000 -12.276) 18.876 8.608 ( -16.695 0.000 -16.992) 23.821 8.692 ( 9.938 0.000 1.351) 10.029 9.238 ( -0.173 0.000 -7.126) 7.128 9.431 ( 14.913 0.000 27.797) 31.545 10.422 ( -9.831 0.000 3.769) 10.529 11.193 ( 0.827 0.000 -7.247) 7.294 11.979 ( 7.322 0.000 -9.156) 11.723 12.488 ( -6.840 0.000 -6.505) 9.439 13.196 ( 14.312 0.000 30.821) 33.982 14.840 ( 0.762 0.000 3.323) 3.409 14.928 ( -0.353 0.000 -0.541) 0.646 15.761 ( 5.769 0.000 -9.888) 11.448 18.133 ( 4.258 0.000 -5.558) 7.002 18.894 ( 65.781 0.000 72.537) 97.922 19.426 ( 6.934 0.000 0.190) 6.936 19.674 ( 6.875 0.000 2.000) 7.161 20.783 ( 3.083 0.000 13.033) 13.392 22.180 ( -80.239 0.000 -97.270) 126.094 23.551 ( -5.336 0.000 -0.855) 5.404 24.058 ( -0.246 0.000 -1.339) 1.361 ======================= Grid point 109 (41/260) ======================= q-point: ( 0.00 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 9.844 22.193 23.710) 33.935 0.948 ( 3.298 25.375 20.888) 33.031 1.491 ( 0.349 26.021 45.674) 52.567 3.636 ( 6.529 -3.859 7.989) 11.016 3.782 ( -1.896 8.480 -1.439) 8.808 4.489 ( 3.762 0.765 -17.331) 17.751 4.654 ( -0.520 -11.540 2.389) 11.796 4.878 ( -5.830 -1.392 4.117) 7.271 5.228 ( 5.994 -1.485 7.439) 9.668 5.452 ( -2.385 10.434 9.389) 14.238 5.685 ( 5.141 16.114 5.447) 17.769 6.072 ( 4.999 4.619 1.657) 7.005 6.274 ( -6.468 4.797 6.772) 10.521 6.875 ( -2.597 2.392 8.051) 8.791 8.101 ( -4.843 14.684 -24.335) 28.832 8.186 ( 2.397 -1.233 -1.354) 3.016 8.486 ( -2.685 -0.796 8.670) 9.111 8.773 ( -5.029 1.827 -0.618) 5.386 9.392 ( 8.643 5.460 -5.137) 11.441 9.913 ( 33.579 -20.112 25.308) 46.610 10.262 ( -5.773 -1.903 3.295) 6.914 11.666 ( 7.719 4.478 -18.985) 20.978 12.177 ( 2.794 8.875 -8.104) 12.339 12.457 ( 3.605 7.543 -10.146) 13.147 13.786 ( 27.139 -3.803 -2.639) 27.531 14.838 ( -3.073 -1.604 -2.123) 4.065 14.957 ( 2.999 3.377 2.920) 5.378 15.741 ( 0.714 -6.470 -10.636) 12.469 16.767 ( -57.525 -45.676 44.098) 85.674 19.131 ( -51.653 17.883 -30.621) 62.654 19.475 ( 0.830 -1.888 0.626) 2.155 19.790 ( -1.874 5.709 -1.138) 6.116 20.760 ( -7.162 -0.118 6.476) 9.657 21.535 ( 71.371 -23.817 22.740) 78.601 24.078 ( 0.462 3.186 -2.260) 3.933 24.197 ( 8.917 22.780 -22.197) 33.033 ======================= Grid point 110 (42/260) ======================= q-point: ( 0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 10.740 20.363 17.233) 28.757 1.315 ( 18.785 15.040 25.586) 35.124 2.031 ( 37.557 14.957 36.441) 54.425 3.717 ( -2.857 5.998 -1.949) 6.924 3.810 ( 6.181 -3.031 13.283) 14.961 4.489 ( -1.113 -0.397 -16.024) 16.068 4.680 ( 1.926 -9.594 -0.910) 9.828 4.774 ( -2.262 -0.641 1.835) 2.982 5.252 ( -2.896 2.545 11.263) 11.905 5.415 ( 1.231 13.915 2.127) 14.130 5.790 ( 3.184 12.154 7.384) 14.573 6.252 ( -0.041 5.005 6.820) 8.459 6.574 ( 28.230 -4.026 -7.684) 29.533 6.837 ( -2.656 0.605 6.572) 7.114 7.968 ( -3.394 12.917 -12.640) 18.388 8.179 ( -3.573 -2.325 -4.486) 6.189 8.472 ( -0.756 -1.627 7.978) 8.177 8.627 ( -9.334 0.923 -2.862) 9.806 9.492 ( 1.557 3.820 1.620) 4.432 10.252 ( 5.405 -0.928 -2.594) 6.067 10.576 ( 24.494 -27.663 13.365) 39.291 11.800 ( 9.428 -3.740 -16.851) 19.668 12.137 ( -4.586 8.804 -7.074) 12.189 12.576 ( 10.355 6.571 -7.366) 14.306 13.814 ( -31.040 -3.915 27.280) 41.509 14.745 ( -4.520 -3.672 -2.518) 6.345 14.993 ( 0.482 5.113 1.958) 5.496 15.695 ( -3.792 -7.564 -11.495) 14.273 16.031 ( -2.271 -1.253 9.156) 9.517 18.576 ( -5.442 12.044 -3.581) 13.693 19.433 ( -5.864 -0.648 0.473) 5.919 19.728 ( -4.896 4.807 -0.852) 6.914 20.515 ( -17.364 0.588 -0.158) 17.375 22.789 ( 43.139 -42.713 6.976) 61.107 24.036 ( -3.619 2.743 -2.437) 5.154 24.310 ( 5.614 13.116 -16.393) 21.732 ======================= Grid point 111 (43/260) ======================= q-point: ( 0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 20.573 9.084 12.808) 25.881 1.755 ( 19.988 10.717 23.541) 32.688 2.898 ( 40.457 6.243 21.331) 46.160 3.620 ( -6.114 7.095 -0.780) 9.399 3.929 ( 1.210 -2.792 14.546) 14.861 4.323 ( -11.637 3.299 -9.970) 15.675 4.729 ( 3.554 -9.788 -2.681) 10.753 4.844 ( 8.230 -0.520 -2.557) 8.634 5.276 ( 4.061 6.169 7.878) 10.799 5.511 ( 7.614 10.119 2.137) 12.842 5.840 ( 0.660 6.915 5.589) 8.916 6.277 ( 0.516 6.320 7.119) 9.534 6.765 ( -2.829 4.767 5.211) 7.608 6.975 ( 12.445 -3.204 -7.193) 14.727 7.879 ( -4.364 7.619 -5.547) 10.386 8.031 ( -9.739 -1.101 -8.805) 13.175 8.405 ( -12.174 0.932 -2.025) 12.376 8.489 ( -0.215 0.166 10.032) 10.036 9.516 ( 2.186 0.240 3.608) 4.226 10.408 ( 10.030 0.929 -5.493) 11.473 10.946 ( 12.564 -14.133 6.789) 20.092 11.837 ( -8.156 -1.822 -8.152) 11.675 12.076 ( 6.025 5.059 -11.781) 14.166 12.808 ( 12.944 2.900 -0.887) 13.295 13.228 ( -26.875 8.451 40.148) 49.046 14.667 ( -3.692 -6.809 -3.010) 8.310 14.994 ( -1.600 5.911 -1.437) 6.291 15.554 ( -6.647 -8.600 -5.796) 12.318 16.370 ( 27.394 -2.254 -18.440) 33.099 18.619 ( 6.029 0.861 8.548) 10.496 19.246 ( -13.167 -0.742 0.945) 13.222 19.600 ( -7.761 4.922 -0.559) 9.207 20.126 ( -20.374 1.133 -5.746) 21.199 23.384 ( 20.120 -29.010 4.426) 35.580 23.938 ( -4.970 2.598 -3.884) 6.821 24.348 ( 1.711 6.305 -8.202) 10.486 ======================= Grid point 112 (44/260) ======================= q-point: ( 0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 23.850 2.548 9.392) 25.759 2.197 ( 19.854 8.648 19.982) 29.466 3.336 ( -8.490 2.527 2.703) 9.261 3.753 ( 24.768 3.430 5.262) 25.552 3.865 ( -11.235 2.052 13.020) 17.319 4.091 ( -6.144 4.138 -6.423) 9.805 4.772 ( 1.340 -4.056 -2.925) 5.177 5.053 ( 12.862 -2.870 -4.584) 13.953 5.447 ( 11.167 3.234 6.312) 13.229 5.712 ( 11.746 8.197 4.426) 14.991 5.855 ( 0.257 2.067 2.140) 2.986 6.280 ( -2.616 6.502 6.248) 9.389 6.729 ( -1.229 3.227 3.705) 5.065 7.122 ( 4.852 2.588 -2.736) 6.142 7.755 ( -8.110 5.443 -1.742) 9.922 7.776 ( -12.526 1.390 -9.032) 15.506 8.161 ( -11.901 1.516 0.526) 12.008 8.498 ( -1.649 1.495 12.870) 13.061 9.631 ( 8.904 -0.860 0.368) 8.954 10.577 ( 7.694 1.632 -3.729) 8.704 11.147 ( 7.412 -3.561 3.285) 8.855 11.559 ( -15.480 3.637 -4.538) 16.537 12.216 ( 8.138 0.831 -12.772) 15.167 12.836 ( -11.022 3.688 31.370) 33.454 13.222 ( 17.346 1.639 0.139) 17.424 14.560 ( -7.326 -9.529 -4.137) 12.712 14.889 ( -7.996 6.423 -4.403) 11.161 15.454 ( -2.448 -7.696 0.058) 8.076 16.881 ( 28.174 -0.398 -19.076) 34.027 18.778 ( 5.826 -1.827 12.865) 14.241 18.951 ( -15.674 -1.585 1.227) 15.802 19.425 ( -10.497 5.874 2.796) 12.350 19.746 ( -14.643 0.018 -10.112) 17.796 23.627 ( 2.087 -13.224 3.583) 13.859 23.897 ( 4.929 -4.070 -5.827) 8.650 24.346 ( -0.422 1.916 -5.027) 5.396 ======================= Grid point 113 (45/260) ======================= q-point: ( 0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 23.003 -0.962 6.709) 23.980 2.622 ( 19.098 7.248 16.841) 26.474 3.055 ( -18.032 5.147 3.120) 19.010 3.517 ( -20.982 6.328 10.292) 24.212 3.949 ( -2.973 -2.070 -5.768) 6.812 4.265 ( 15.292 2.824 -5.800) 16.597 4.774 ( -0.207 -2.386 -3.553) 4.284 5.290 ( 11.294 -0.421 -2.302) 11.534 5.695 ( 10.273 0.310 6.531) 12.177 5.863 ( 1.578 -0.523 -0.730) 1.816 5.958 ( 9.687 6.259 4.250) 12.291 6.186 ( -7.580 5.934 5.295) 10.987 6.727 ( -0.017 1.411 -2.693) 3.040 7.189 ( 2.079 -2.772 2.805) 4.458 7.507 ( -9.543 9.664 0.746) 13.602 7.634 ( -4.103 6.385 -2.028) 7.856 7.964 ( -8.083 3.307 3.405) 9.373 8.490 ( -2.227 1.676 14.993) 15.250 9.829 ( 10.119 0.693 -2.283) 10.397 10.683 ( 3.558 0.701 -0.042) 3.626 11.230 ( -9.590 0.130 2.801) 9.992 11.289 ( 0.036 4.617 -9.781) 10.816 12.276 ( 0.272 4.176 -11.052) 11.817 12.765 ( -2.694 -0.317 24.068) 24.220 13.616 ( 21.792 -3.208 -2.529) 22.171 14.312 ( -16.788 -9.604 -8.686) 21.202 14.744 ( -4.531 5.654 -0.421) 7.258 15.435 ( -0.565 -6.201 1.781) 6.477 17.360 ( 24.083 3.200 -14.287) 28.184 18.662 ( -10.914 0.540 -0.596) 10.943 18.861 ( -3.420 -0.724 6.991) 7.816 19.193 ( -12.815 3.018 3.967) 13.751 19.598 ( 1.960 -2.273 -1.269) 3.258 23.571 ( -4.662 -3.692 -1.648) 6.171 24.045 ( 8.335 -8.524 -4.624) 12.787 24.303 ( -2.999 -1.364 -4.227) 5.359 ======================= Grid point 114 (46/260) ======================= q-point: (-0.50 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -17.428 2.817 2.687) 17.857 2.786 ( 2.827 -1.082 3.864) 4.909 3.021 ( 17.072 5.711 15.605) 23.824 3.178 ( -9.712 9.980 12.343) 18.609 3.882 ( -1.448 -0.699 -8.003) 8.163 4.369 ( -2.524 -0.639 -13.874) 14.116 4.754 ( -0.703 -1.191 -4.422) 4.633 5.452 ( 4.811 1.969 1.069) 5.307 5.755 ( -3.274 1.272 0.650) 3.572 5.854 ( -15.201 5.595 0.353) 16.201 5.997 ( 5.863 -1.883 -0.392) 6.171 6.181 ( 2.249 3.710 7.754) 8.886 6.711 ( 0.525 1.033 -5.262) 5.388 7.179 ( -2.187 -1.191 3.402) 4.216 7.509 ( 6.472 3.120 9.841) 12.185 7.638 ( 4.879 6.050 -1.996) 8.024 7.889 ( 0.345 9.464 9.232) 13.225 8.491 ( -1.034 1.534 15.431) 15.542 9.959 ( 2.391 1.947 -2.059) 3.708 10.727 ( 0.884 -0.266 2.953) 3.094 10.954 ( -13.271 -0.542 -11.841) 17.794 11.349 ( 3.408 7.605 -4.169) 9.318 12.196 ( -5.079 6.066 -9.904) 12.676 12.799 ( 0.146 -3.561 17.587) 17.944 13.889 ( -18.218 -5.211 -12.431) 22.662 14.054 ( 18.443 -8.203 -1.130) 20.217 14.714 ( 1.004 5.174 2.062) 5.660 15.421 ( -1.301 -5.903 0.891) 6.110 17.731 ( 15.195 7.245 -5.154) 17.605 18.517 ( -4.484 -0.174 -6.525) 7.919 18.706 ( -9.568 2.896 1.015) 10.048 19.035 ( -2.553 -1.326 1.206) 3.120 19.761 ( 11.124 -3.360 13.043) 17.469 23.479 ( -3.778 -4.716 -6.484) 8.863 24.164 ( 4.896 -4.991 -5.765) 9.061 24.208 ( -5.646 -3.426 -3.754) 7.597 ======================= Grid point 115 (47/260) ======================= q-point: (-0.40 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -24.005 4.208 6.025) 25.105 2.520 ( -23.789 6.356 6.341) 25.426 3.317 ( 10.917 1.606 8.483) 13.918 3.358 ( 12.387 3.373 6.505) 14.392 3.867 ( -0.675 -3.037 -8.627) 9.171 4.132 ( -14.267 5.826 -11.207) 19.054 4.741 ( 0.922 0.337 -3.851) 3.975 5.472 ( -12.829 3.113 7.832) 15.350 5.479 ( -9.723 3.290 -7.951) 12.984 5.653 ( -6.370 2.639 -2.032) 7.188 6.074 ( 1.027 0.673 -0.534) 1.339 6.166 ( -4.913 2.769 8.309) 10.042 6.746 ( 2.784 1.721 2.570) 4.161 7.204 ( 4.121 4.155 4.479) 7.369 7.669 ( 4.244 -6.555 4.050) 8.797 7.765 ( 11.586 4.990 -4.817) 13.503 8.060 ( 11.469 8.436 18.478) 23.326 8.531 ( 2.094 1.664 13.696) 13.954 9.887 ( -9.202 0.276 0.200) 9.208 10.613 ( -14.366 -3.612 -18.597) 23.776 10.778 ( -0.536 2.438 1.014) 2.694 11.403 ( 3.724 12.926 -5.854) 14.671 12.057 ( -6.195 5.332 -11.336) 13.976 12.829 ( -1.228 -5.694 15.530) 16.586 13.466 ( -19.493 -1.752 -9.715) 21.850 14.420 ( 16.325 -10.028 -1.702) 19.235 14.784 ( 5.549 6.451 1.074) 8.576 15.396 ( -0.691 -6.334 -0.605) 6.401 17.881 ( -1.909 6.915 9.617) 11.998 18.374 ( -5.080 0.152 -14.174) 15.058 18.677 ( 6.582 -0.395 0.805) 6.643 19.109 ( 9.381 1.352 -0.676) 9.502 20.039 ( 12.729 -2.997 18.891) 22.975 23.373 ( -5.541 -11.008 -14.359) 18.922 24.078 ( -6.399 -1.761 -1.844) 6.889 24.212 ( 1.823 -0.810 -7.609) 7.867 ======================= Grid point 116 (48/260) ======================= q-point: (-0.30 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -24.780 5.276 9.643) 27.108 2.024 ( -27.768 8.953 6.208) 29.829 3.302 ( -29.722 4.400 -2.081) 30.118 3.458 ( 1.743 -1.238 -8.755) 9.012 3.677 ( 2.241 1.818 5.754) 6.437 4.161 ( 11.368 8.972 -3.294) 14.852 4.790 ( 4.591 1.262 0.984) 4.862 5.123 ( -14.516 -1.615 -3.464) 15.011 5.373 ( -8.245 2.843 4.597) 9.859 5.517 ( -6.376 6.296 -3.200) 9.514 6.000 ( -8.904 4.657 5.773) 11.588 6.115 ( -0.592 2.058 2.428) 3.237 6.806 ( 1.833 2.078 7.542) 8.035 7.327 ( 5.484 3.796 5.687) 8.765 7.715 ( 2.013 -9.162 -1.871) 9.565 8.044 ( 15.343 2.830 -3.087) 15.905 8.308 ( 8.263 2.917 18.376) 20.358 8.647 ( 6.812 1.115 9.947) 12.107 9.642 ( -14.536 -0.924 1.026) 14.601 10.222 ( -19.572 -4.637 -30.334) 36.397 10.747 ( -4.316 2.864 3.265) 6.123 11.482 ( 6.088 20.882 -9.412) 23.701 11.924 ( -3.794 2.400 -11.532) 12.375 12.805 ( -5.411 -7.791 9.742) 13.597 13.133 ( -11.289 3.803 -1.005) 11.955 14.660 ( 8.508 -6.922 2.201) 11.187 14.902 ( 4.935 4.625 -2.365) 7.165 15.425 ( 4.923 -7.186 -3.279) 9.307 17.733 ( -13.226 -7.954 16.656) 22.707 18.342 ( 4.406 10.325 -6.063) 12.758 18.906 ( 14.966 -2.451 -0.801) 15.186 19.342 ( 13.222 4.499 -1.175) 14.016 20.332 ( 12.295 -2.027 20.394) 23.899 23.145 ( -14.342 -22.621 -25.712) 37.128 23.977 ( -3.101 3.325 -0.566) 4.582 24.209 ( 0.005 4.206 -8.861) 9.809 ======================= Grid point 117 (49/260) ======================= q-point: (-0.20 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -22.543 8.854 15.878) 28.960 1.472 ( -29.524 10.052 4.818) 31.558 2.532 ( -42.539 17.009 6.025) 46.208 3.471 ( 1.686 -2.470 -6.297) 6.971 3.776 ( 3.083 5.157 5.858) 8.392 4.344 ( 7.886 7.641 -11.194) 15.681 4.828 ( -6.355 -10.600 0.947) 12.395 4.993 ( 5.071 3.501 6.988) 9.317 5.191 ( -10.937 2.721 4.818) 12.257 5.413 ( -2.754 10.241 -2.003) 10.793 5.817 ( -10.278 8.765 5.512) 14.589 6.124 ( 0.738 1.271 1.901) 2.403 6.847 ( 0.296 1.003 8.338) 8.403 7.334 ( -9.802 -9.073 6.261) 14.752 7.793 ( 7.946 -2.436 -3.124) 8.879 8.279 ( 7.937 -2.486 -3.850) 9.165 8.482 ( 6.281 1.169 11.608) 13.250 8.814 ( 7.516 0.957 3.380) 8.297 9.381 ( -10.524 0.299 -1.717) 10.667 9.713 ( -23.761 -0.730 -29.306) 37.735 10.619 ( -9.228 1.632 3.733) 10.088 11.566 ( 4.454 23.309 -16.523) 28.917 11.906 ( 5.457 3.500 -8.541) 10.723 12.645 ( -9.480 -2.822 -4.040) 10.684 13.067 ( 1.686 4.422 16.207) 16.883 14.792 ( 4.795 -1.832 4.379) 6.747 14.934 ( -0.505 1.206 -2.563) 2.877 15.563 ( 9.082 -7.011 -7.277) 13.586 17.522 ( -12.045 -24.956 21.634) 35.155 18.552 ( 18.319 17.078 10.689) 27.231 19.198 ( 14.009 -1.108 -1.070) 14.093 19.581 ( 10.673 5.843 -0.034) 12.168 20.599 ( 9.863 -1.220 18.391) 20.905 22.633 ( -32.391 -34.623 -39.130) 61.474 23.957 ( 1.394 8.699 -3.787) 9.589 24.181 ( -0.493 9.059 -9.471) 13.115 ======================= Grid point 118 (50/260) ======================= q-point: (-0.10 0.11 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -20.721 16.390 12.090) 29.055 0.991 ( -12.924 16.058 23.281) 31.095 1.793 ( -33.643 28.622 24.907) 50.709 3.518 ( 4.106 -3.219 0.724) 5.268 3.809 ( -0.364 8.221 1.517) 8.368 4.435 ( 5.528 5.214 -16.575) 18.233 4.704 ( -5.138 -13.476 2.685) 14.670 4.992 ( -9.332 2.645 5.281) 11.044 5.117 ( 3.292 1.938 6.353) 7.413 5.425 ( 2.366 10.515 7.816) 13.314 5.657 ( -5.296 14.372 2.465) 15.514 6.140 ( -0.368 1.242 1.588) 2.049 6.774 ( -24.344 -16.277 -1.389) 29.317 6.943 ( -15.830 -0.836 7.831) 17.681 7.996 ( 11.680 3.104 -2.597) 12.361 8.313 ( -2.760 1.828 -19.013) 19.299 8.544 ( -3.301 -2.476 4.293) 5.955 8.856 ( -3.639 6.308 -7.067) 10.148 9.277 ( 1.642 3.451 -7.338) 8.274 9.425 ( 5.317 1.396 16.963) 17.832 10.426 ( -10.600 -0.005 4.420) 11.484 11.596 ( 4.133 13.263 -19.271) 23.756 12.062 ( 10.178 11.127 -9.822) 17.997 12.487 ( -4.351 3.370 -8.244) 9.912 13.271 ( 16.792 5.861 16.964) 24.578 14.875 ( 1.818 3.059 3.032) 4.675 14.903 ( -0.673 -2.329 -0.783) 2.548 15.699 ( 6.027 -6.257 -9.842) 13.128 17.335 ( -16.004 -45.203 30.215) 56.678 19.171 ( 35.971 6.257 17.947) 40.683 19.445 ( 13.763 4.447 1.914) 14.590 19.754 ( 7.283 6.159 4.339) 10.479 20.767 ( 2.316 -1.340 12.356) 12.642 21.601 ( -60.671 -28.353 -45.313) 80.859 24.010 ( 5.400 12.088 -8.513) 15.741 24.155 ( 0.568 14.057 -11.080) 17.908 ======================= Grid point 119 (51/260) ======================= q-point: ( 0.00 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 5.461 22.819 20.137) 30.920 1.437 ( 4.590 24.828 18.525) 31.316 2.155 ( -3.278 33.761 18.500) 38.636 3.509 ( 5.960 -8.471 9.152) 13.821 4.032 ( -3.862 15.515 -2.503) 16.183 4.259 ( -1.221 -16.801 3.358) 17.177 4.659 ( 2.999 5.894 -13.331) 14.881 4.918 ( -6.358 3.602 2.553) 7.741 5.214 ( 2.877 0.479 8.595) 9.077 5.679 ( 2.638 11.306 6.337) 13.226 6.004 ( 1.279 9.816 -1.923) 10.084 6.201 ( 4.401 8.258 1.335) 9.452 6.371 ( -1.141 5.094 8.259) 9.770 6.983 ( -2.897 8.447 8.123) 12.071 8.132 ( 2.158 -1.966 1.908) 3.488 8.304 ( -0.964 4.062 -19.683) 20.121 8.480 ( -3.112 1.553 7.766) 8.510 8.810 ( -6.722 1.604 1.019) 6.985 9.522 ( 8.962 6.530 -4.189) 11.853 9.719 ( 17.922 -0.729 21.528) 28.021 10.204 ( -7.408 -3.969 2.160) 8.677 11.467 ( 1.720 -17.630 -6.124) 18.742 12.314 ( -0.018 7.022 0.384) 7.032 12.690 ( 2.916 10.743 -12.102) 16.443 13.717 ( 13.764 -2.614 -7.078) 15.697 14.786 ( -3.727 -3.261 -3.843) 6.268 15.018 ( 4.653 0.349 1.497) 4.900 15.544 ( -0.487 -11.504 -9.961) 15.225 16.187 ( -24.726 -16.416 24.956) 38.777 19.313 ( -23.011 3.701 -28.173) 36.564 19.436 ( -2.605 -1.502 0.259) 3.018 19.922 ( -1.005 6.781 -2.706) 7.370 20.758 ( -5.755 -0.072 8.066) 9.909 21.201 ( 35.885 -12.048 17.369) 41.648 24.155 ( -0.146 4.362 -1.404) 4.584 24.430 ( 3.082 4.161 -9.653) 10.954 ======================= Grid point 120 (52/260) ======================= q-point: ( 0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 3.468 23.311 15.768) 28.356 1.666 ( 13.703 18.023 21.534) 31.246 2.441 ( 25.286 22.721 18.254) 38.586 3.669 ( 6.997 -8.397 13.305) 17.219 3.940 ( -4.162 12.570 -2.260) 13.433 4.294 ( 4.042 -14.635 -0.118) 15.183 4.613 ( -6.012 2.250 -12.724) 14.251 4.869 ( 2.215 6.658 -0.543) 7.038 5.292 ( 2.862 2.657 9.781) 10.532 5.729 ( 1.374 14.948 4.877) 15.783 6.011 ( -1.130 5.634 -0.136) 5.748 6.341 ( 4.266 6.329 3.880) 8.562 6.545 ( 16.780 -1.413 4.697) 17.483 6.953 ( -1.554 10.900 7.154) 13.131 8.096 ( -4.962 -1.684 -3.961) 6.568 8.265 ( -0.267 9.927 -11.281) 15.029 8.435 ( -2.683 0.470 10.667) 11.010 8.661 ( -8.234 2.688 -1.929) 8.874 9.562 ( -4.013 2.145 2.380) 5.135 10.200 ( 12.789 -4.025 -3.174) 13.778 10.254 ( 22.073 -5.009 21.439) 31.176 11.540 ( 6.721 -18.245 -5.250) 20.140 12.277 ( -3.948 7.163 -0.556) 8.198 12.763 ( 7.156 8.709 -9.228) 14.567 13.746 ( -12.059 -2.552 5.969) 13.696 14.672 ( -6.663 -3.480 -5.230) 9.157 15.083 ( 1.612 1.484 3.538) 4.161 15.456 ( -5.690 -13.236 -10.200) 17.653 15.989 ( 5.057 -2.489 3.812) 6.805 18.776 ( -15.772 6.859 -14.792) 22.685 19.419 ( -4.555 -0.649 -0.896) 4.687 19.853 ( -5.243 6.924 -3.438) 9.341 20.532 ( -16.708 1.128 2.889) 16.993 22.083 ( 41.229 -26.905 14.695) 51.378 24.111 ( -3.827 4.335 -1.996) 6.118 24.444 ( 0.311 2.073 -7.084) 7.387 ======================= Grid point 121 (53/260) ======================= q-point: ( 0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( 10.668 16.378 12.251) 23.068 2.024 ( 17.488 14.597 17.674) 28.832 3.039 ( 27.721 6.604 11.753) 30.825 3.795 ( 1.336 -2.533 10.012) 10.414 3.873 ( -2.214 8.915 5.781) 10.853 4.399 ( -1.668 -0.397 -9.558) 9.711 4.440 ( 1.534 -9.940 -4.439) 10.994 4.951 ( 5.740 7.231 -4.733) 10.375 5.388 ( 5.115 5.865 9.163) 12.022 5.782 ( 3.256 12.737 5.099) 14.100 5.970 ( -2.212 5.825 -0.178) 6.234 6.402 ( 1.069 5.334 5.213) 7.534 6.781 ( 3.029 -5.167 1.607) 6.201 7.016 ( 7.261 8.346 4.872) 12.088 7.965 ( -6.695 -0.013 -5.000) 8.357 8.181 ( -6.320 16.428 -3.711) 17.989 8.405 ( -6.293 -1.298 6.649) 9.246 8.519 ( -3.249 3.777 1.641) 5.246 9.494 ( -0.753 -2.582 2.292) 3.534 10.415 ( 11.966 -0.674 -8.384) 14.626 10.765 ( 20.209 -3.406 21.941) 30.024 11.668 ( 5.818 -13.958 -7.426) 16.847 12.171 ( -5.165 6.687 -0.903) 8.497 12.920 ( 10.002 5.547 -6.014) 12.922 13.401 ( -20.558 7.684 17.803) 28.260 14.525 ( -7.115 -6.868 -5.689) 11.409 15.114 ( -0.197 4.987 1.262) 5.148 15.298 ( -6.770 -14.945 -6.077) 17.496 16.329 ( 26.834 -1.498 -13.563) 30.104 18.625 ( 0.284 -0.482 -1.970) 2.048 19.243 ( -12.912 0.592 0.322) 12.930 19.713 ( -7.726 5.464 -4.393) 10.433 20.164 ( -20.290 2.726 0.169) 20.473 22.784 ( 27.723 -27.744 8.956) 40.230 24.004 ( -6.195 3.706 -3.769) 8.144 24.417 ( -1.540 0.849 -4.095) 4.456 ======================= Grid point 122 (54/260) ======================= q-point: ( 0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 17.353 7.870 7.858) 20.611 2.413 ( 18.188 11.642 14.582) 26.057 3.379 ( 1.383 0.944 1.553) 2.284 3.785 ( -4.920 -3.725 6.851) 9.221 3.864 ( -0.867 0.855 7.758) 7.853 4.290 ( 2.310 14.932 -4.140) 15.666 4.612 ( 9.455 -10.595 -6.828) 15.757 5.066 ( 7.895 3.937 -7.405) 11.518 5.542 ( 8.286 5.266 8.913) 13.260 5.863 ( 1.908 1.573 7.263) 7.672 5.974 ( 4.807 13.218 -1.596) 14.155 6.394 ( -3.394 3.798 4.805) 7.002 6.779 ( -1.156 0.227 -0.494) 1.277 7.117 ( 0.022 -2.399 3.382) 4.146 7.834 ( -5.079 3.912 -3.656) 7.381 8.024 ( -9.133 20.325 0.921) 22.302 8.246 ( -7.591 7.277 2.491) 10.806 8.504 ( -2.044 -1.065 10.570) 10.818 9.589 ( 10.096 -3.216 -1.875) 10.760 10.596 ( 7.810 -0.429 -6.501) 10.171 11.123 ( 11.506 0.820 18.547) 21.842 11.625 ( -8.095 1.795 -12.273) 14.811 12.167 ( 5.080 -2.555 0.046) 5.687 12.990 ( -8.182 8.516 10.905) 16.074 13.253 ( 7.930 1.817 3.413) 8.823 14.345 ( -10.509 -11.480 -6.006) 16.682 15.007 ( -7.955 4.652 -5.615) 10.792 15.252 ( 0.881 -10.446 2.941) 10.888 16.879 ( 31.585 0.375 -17.860) 36.287 18.706 ( 6.050 -4.945 4.552) 9.043 18.951 ( -15.657 1.656 0.817) 15.765 19.544 ( -8.686 4.153 -0.756) 9.657 19.768 ( -19.114 3.093 -2.236) 19.491 23.236 ( 17.040 -22.223 6.468) 28.741 23.866 ( -6.085 -0.077 -7.459) 9.626 24.370 ( -2.354 0.466 -2.258) 3.295 ======================= Grid point 123 (55/260) ======================= q-point: ( 0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 18.635 1.026 3.947) 19.076 2.791 ( 16.516 8.076 12.892) 22.454 3.206 ( -15.162 9.084 1.022) 17.704 3.587 ( -14.152 -0.833 7.443) 16.012 3.849 ( -1.912 -6.911 -1.993) 7.443 4.426 ( 6.938 12.585 -6.599) 15.813 4.731 ( 4.307 -1.553 -5.308) 7.010 5.239 ( 11.102 -3.917 -7.812) 14.129 5.723 ( 6.453 0.761 9.478) 11.491 5.898 ( 2.751 3.947 -1.378) 5.004 6.126 ( 7.140 9.829 5.391) 13.292 6.285 ( -8.661 3.474 5.303) 10.734 6.750 ( -1.133 -0.263 -7.299) 7.391 7.067 ( -3.426 -6.571 7.389) 10.465 7.746 ( -4.041 4.985 -1.758) 6.654 7.846 ( -8.050 20.134 2.945) 21.882 8.181 ( -0.253 17.894 7.502) 19.405 8.482 ( -2.535 -2.791 12.779) 13.324 9.829 ( 13.202 -1.044 -4.887) 14.116 10.686 ( 2.725 -0.802 -2.126) 3.548 11.230 ( -8.072 -0.448 3.399) 8.770 11.470 ( 1.302 12.812 -3.956) 13.472 12.269 ( 3.444 -4.648 -3.299) 6.659 12.848 ( -7.058 7.916 14.175) 17.704 13.514 ( 15.744 -6.741 -1.226) 17.171 14.075 ( -15.282 -12.982 -7.550) 21.426 14.873 ( -3.826 6.641 -2.913) 8.199 15.274 ( 0.127 -8.599 2.893) 9.073 17.444 ( 29.324 4.688 -16.434) 33.941 18.680 ( -11.043 1.431 -0.260) 11.138 18.824 ( 3.555 -3.023 3.195) 5.656 19.296 ( -19.623 6.837 8.329) 22.387 19.532 ( -0.654 -3.940 -2.184) 4.552 23.462 ( 2.969 -7.797 3.841) 9.185 23.773 ( 0.908 -14.773 -10.766) 18.302 24.317 ( -2.492 1.782 -1.335) 3.342 ======================= Grid point 124 (56/260) ======================= q-point: (-0.50 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 4.587 -0.905 0.663) 4.722 2.819 ( -16.365 3.768 4.684) 17.434 3.171 ( 14.065 9.363 9.763) 19.514 3.348 ( -9.173 5.892 6.099) 12.492 3.801 ( -1.772 -7.720 -5.566) 9.681 4.440 ( -2.717 7.680 -12.039) 14.537 4.775 ( 1.911 4.240 -5.043) 6.860 5.418 ( 7.003 -6.833 -3.906) 10.535 5.768 ( -3.317 0.944 4.224) 5.453 5.992 ( -9.585 7.319 -2.075) 12.237 6.012 ( 0.126 2.058 0.757) 2.196 6.266 ( 0.666 4.864 8.315) 9.656 6.729 ( 1.759 0.504 -4.835) 5.170 7.100 ( 4.356 -5.630 9.971) 12.252 7.648 ( -4.685 6.538 0.523) 8.061 7.789 ( 1.888 13.671 0.447) 13.808 8.239 ( 2.724 21.579 14.117) 25.929 8.479 ( -0.268 -2.584 11.959) 12.238 9.991 ( 2.385 0.317 -5.669) 6.158 10.723 ( 1.423 -0.101 2.683) 3.038 10.964 ( -13.500 1.459 -12.197) 18.252 11.574 ( 6.280 14.311 3.761) 16.075 12.251 ( -3.876 -2.827 -6.980) 8.470 12.783 ( -3.215 3.641 11.737) 12.702 13.732 ( -16.305 -10.464 -7.309) 20.706 13.837 ( 16.559 -11.754 -2.662) 20.481 14.853 ( 1.952 7.892 -0.470) 8.144 15.265 ( -1.529 -8.597 1.685) 8.893 17.923 ( 21.552 10.756 -8.824) 25.652 18.496 ( -8.369 -1.349 -6.330) 10.580 18.820 ( -10.223 7.762 4.711) 13.673 18.990 ( -2.806 -3.034 1.356) 4.349 19.661 ( 10.681 -6.252 11.728) 17.050 23.367 ( -9.599 -6.060 -8.638) 14.265 23.853 ( 6.319 -18.050 -3.861) 19.510 24.274 ( -1.343 3.808 -1.667) 4.369 ======================= Grid point 125 (57/260) ======================= q-point: (-0.40 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -22.269 10.202 6.006) 25.220 2.610 ( -16.497 2.019 1.115) 16.657 3.337 ( 4.502 0.278 -2.187) 5.013 3.451 ( 11.114 6.024 10.077) 16.166 3.735 ( -4.898 -9.178 -8.719) 13.574 4.335 ( -2.403 11.811 -7.865) 14.392 4.804 ( 2.398 6.477 -3.871) 7.917 5.428 ( -9.830 -7.836 4.750) 13.438 5.578 ( -12.158 5.695 -4.670) 14.215 5.750 ( -6.187 6.976 0.069) 9.325 6.118 ( 3.813 2.335 -3.518) 5.690 6.245 ( -3.710 5.050 7.911) 10.093 6.789 ( 3.470 2.364 3.185) 5.270 7.227 ( 5.242 -5.304 7.915) 10.875 7.598 ( -0.217 3.976 -0.723) 4.047 7.902 ( 8.971 6.969 -2.548) 11.642 8.330 ( 2.569 16.540 19.171) 25.450 8.539 ( 4.033 0.335 9.481) 10.308 9.879 ( -11.282 -1.582 -2.954) 11.769 10.581 ( -15.385 0.420 -14.456) 21.116 10.840 ( 1.325 3.560 0.311) 3.811 11.722 ( 8.419 17.560 2.065) 19.583 12.106 ( -8.495 -3.276 -9.165) 12.919 12.758 ( -1.799 1.136 7.367) 7.668 13.407 ( -14.132 -3.920 -6.980) 16.242 14.165 ( 16.653 -14.770 -1.092) 22.286 14.927 ( 4.988 7.216 -0.969) 8.826 15.232 ( -1.585 -8.782 0.904) 8.970 18.044 ( -16.560 7.527 9.520) 20.531 18.419 ( 7.554 5.555 -12.443) 15.581 18.651 ( 1.286 -2.361 -0.337) 2.709 19.153 ( 13.856 2.878 -0.823) 14.176 19.946 ( 14.000 -5.974 18.044) 23.607 23.088 ( -15.851 -16.008 -17.593) 28.583 23.951 ( 3.875 -7.768 0.105) 8.681 24.264 ( 0.952 3.605 -3.805) 5.327 ======================= Grid point 126 (58/260) ======================= q-point: (-0.30 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( -21.064 14.055 9.135) 26.920 2.200 ( -23.824 8.250 0.098) 25.213 3.359 ( -8.376 -1.182 -3.515) 9.160 3.433 ( -10.932 -0.548 -5.711) 12.346 3.729 ( 9.356 3.304 2.555) 10.246 4.398 ( 8.601 12.473 -2.948) 15.435 4.819 ( -3.753 2.187 2.509) 5.017 5.125 ( -12.410 0.747 2.929) 12.772 5.425 ( -7.419 2.715 -0.435) 7.912 5.652 ( -3.946 7.018 -2.026) 8.302 6.133 ( -1.035 5.274 -5.642) 7.792 6.184 ( -3.853 5.829 8.732) 11.184 6.847 ( 0.788 2.124 6.093) 6.500 7.289 ( -2.270 -9.646 7.248) 12.277 7.653 ( 6.732 5.255 -2.231) 8.827 8.080 ( 9.256 -0.635 -5.889) 10.989 8.431 ( 2.994 10.197 18.219) 21.092 8.675 ( 7.451 2.199 7.671) 10.918 9.611 ( -13.903 -2.225 -0.880) 14.108 10.198 ( -19.055 2.392 -19.207) 27.161 10.816 ( -5.117 3.466 2.649) 6.724 11.857 ( -5.009 1.854 -6.433) 8.361 11.957 ( 5.986 11.065 -3.541) 13.069 12.745 ( -0.350 3.852 -1.217) 4.055 13.174 ( -7.808 0.254 -1.075) 7.885 14.470 ( 14.102 -12.019 0.910) 18.551 14.993 ( 0.932 3.072 -3.585) 4.812 15.248 ( 4.232 -8.002 -0.037) 9.053 17.603 ( -26.705 -4.234 12.894) 29.955 18.507 ( 6.316 3.483 -3.472) 8.005 18.905 ( 18.525 4.494 -1.322) 19.108 19.446 ( 15.160 5.036 -1.704) 16.065 20.270 ( 14.033 -4.011 20.293) 24.996 22.651 ( -24.249 -23.815 -24.796) 42.072 24.012 ( 2.589 0.802 0.920) 2.862 24.290 ( 2.646 3.007 -5.935) 7.160 ======================= Grid point 127 (59/260) ======================= q-point: (-0.20 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -16.250 19.639 12.908) 28.572 1.728 ( -22.883 14.632 0.752) 27.172 2.903 ( -27.651 16.252 5.259) 32.501 3.387 ( 0.238 -5.740 -5.055) 7.652 3.915 ( 8.159 7.487 3.245) 11.539 4.543 ( 3.282 10.400 -7.945) 13.493 4.613 ( -11.161 -8.110 4.698) 14.575 5.089 ( 3.026 3.990 6.454) 8.169 5.253 ( -10.037 4.013 3.693) 11.423 5.599 ( -0.474 8.228 -3.165) 8.828 6.065 ( -3.752 11.932 -4.279) 13.219 6.159 ( -0.450 2.738 6.043) 6.650 6.817 ( -6.770 -3.500 4.371) 8.786 7.165 ( -10.268 -5.523 7.472) 13.848 7.831 ( 10.630 4.216 -0.596) 11.451 8.228 ( 7.735 -3.475 -9.688) 12.875 8.506 ( 0.441 3.895 13.049) 13.625 8.846 ( 7.231 1.713 5.808) 9.431 9.387 ( -7.220 0.118 -2.287) 7.574 9.776 ( -18.554 6.806 -13.303) 23.823 10.656 ( -11.308 1.733 3.326) 11.914 11.658 ( -8.845 -10.469 -8.931) 16.358 12.153 ( 9.471 15.020 -1.115) 17.792 12.725 ( -0.075 10.812 -13.965) 17.661 13.141 ( 4.830 2.584 6.529) 8.522 14.709 ( 9.593 -6.745 3.120) 12.134 14.958 ( -2.506 -0.546 -3.944) 4.705 15.379 ( 8.283 -8.825 -4.191) 12.808 17.114 ( -26.375 -14.404 18.156) 35.111 18.736 ( 17.755 1.331 2.286) 17.951 19.260 ( 17.165 7.669 1.101) 18.833 19.708 ( 11.398 5.871 -0.784) 12.845 20.567 ( 10.896 -1.827 18.874) 21.869 22.002 ( -35.758 -25.944 -30.240) 53.537 24.067 ( 3.119 4.167 -0.506) 5.229 24.333 ( 3.211 4.404 -7.309) 9.118 ======================= Grid point 128 (60/260) ======================= q-point: (-0.10 0.22 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -10.243 22.027 11.967) 27.080 1.410 ( -6.611 25.466 14.320) 29.955 2.409 ( -23.166 28.481 13.811) 39.225 3.409 ( 2.731 -7.375 2.081) 8.135 4.042 ( 3.508 13.173 1.665) 13.733 4.358 ( -9.670 -12.910 2.973) 16.402 4.627 ( 3.214 7.224 -12.107) 14.460 5.058 ( -8.728 2.574 3.836) 9.875 5.164 ( 0.811 3.199 7.983) 8.638 5.619 ( 2.116 9.182 2.733) 9.811 6.003 ( -0.878 14.777 -4.906) 15.595 6.179 ( 0.401 2.210 4.715) 5.223 6.553 ( -17.510 -3.840 2.767) 18.138 7.032 ( -4.742 5.953 9.008) 11.793 8.024 ( 8.055 0.449 1.482) 8.202 8.326 ( 4.456 0.286 -16.528) 17.121 8.509 ( -2.051 -0.885 8.534) 8.821 8.910 ( -2.679 0.440 3.166) 4.171 9.363 ( 5.417 4.410 -6.516) 9.553 9.524 ( -2.820 8.522 7.475) 11.681 10.417 ( -13.186 -1.008 4.007) 13.818 11.507 ( -4.175 -14.769 -7.710) 17.176 12.280 ( 3.659 8.961 0.226) 9.682 12.691 ( 0.563 12.315 -15.383) 19.714 13.383 ( 17.549 4.538 -0.818) 18.144 14.835 ( 0.835 -4.028 0.652) 4.165 14.927 ( 2.472 -0.153 -1.202) 2.753 15.511 ( 5.731 -10.749 -7.958) 14.551 16.650 ( -26.550 -22.101 24.731) 42.485 19.157 ( 20.573 -3.740 -0.885) 20.929 19.576 ( 12.552 6.373 0.307) 14.081 19.881 ( 6.177 5.901 1.820) 8.734 20.739 ( 1.529 -1.251 11.582) 11.750 21.193 ( -32.378 -14.026 -20.021) 40.569 24.128 ( 2.899 4.554 -1.441) 5.587 24.381 ( 3.683 5.563 -9.050) 11.244 ======================= Grid point 129 (61/260) ======================= q-point: ( 0.00 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 3.859 20.682 16.747) 26.890 1.945 ( 0.610 23.169 14.066) 27.111 2.735 ( -0.968 20.705 3.007) 20.944 3.301 ( 5.046 -11.145 10.221) 15.942 3.890 ( -4.795 -16.792 8.950) 19.623 4.442 ( -2.182 22.466 -1.992) 22.659 4.766 ( -0.545 4.137 -11.878) 12.589 4.989 ( -3.601 3.069 3.559) 5.920 5.259 ( 2.080 3.639 6.969) 8.132 5.891 ( 6.258 7.829 2.956) 10.449 5.985 ( -2.403 -9.442 -4.655) 10.798 6.284 ( 5.491 0.591 6.405) 8.457 6.594 ( -2.278 13.466 1.148) 13.706 7.201 ( 0.457 11.833 8.652) 14.666 8.073 ( 2.836 -5.169 4.395) 7.354 8.308 ( -7.032 -1.094 -8.935) 11.422 8.586 ( 7.686 7.080 6.103) 12.102 8.851 ( -5.045 3.365 2.205) 6.452 9.628 ( 8.215 3.548 -3.863) 9.747 9.848 ( 10.920 12.179 14.967) 22.172 10.097 ( -10.540 -6.164 1.415) 12.292 11.050 ( 0.231 -21.878 -1.296) 21.918 12.506 ( -0.536 11.371 0.157) 11.385 12.854 ( 0.998 5.463 -6.920) 8.873 13.684 ( 8.206 -0.625 -6.895) 10.736 14.709 ( -3.865 -4.752 -4.225) 7.441 14.857 ( 4.526 -14.999 -1.367) 15.726 15.404 ( 0.304 -0.890 -6.865) 6.929 15.969 ( -14.126 -6.484 13.237) 20.416 19.339 ( 0.505 -0.396 -22.459) 22.468 19.427 ( -17.721 0.507 -6.680) 18.945 20.056 ( 0.830 6.002 -6.024) 8.544 20.759 ( -3.741 0.277 10.420) 11.074 20.990 ( 21.538 -8.760 16.510) 28.516 24.249 ( -0.162 4.663 -1.213) 4.821 24.455 ( 0.923 -0.817 -4.072) 4.254 ======================= Grid point 130 (62/260) ======================= q-point: ( 0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 0.833 20.405 15.402) 25.579 2.036 ( 10.760 17.921 15.611) 26.089 2.859 ( 12.294 16.342 3.191) 20.697 3.459 ( 7.441 -11.537 13.680) 19.381 3.877 ( 1.974 -16.041 5.155) 16.965 4.381 ( -3.292 19.816 -2.832) 20.287 4.665 ( -5.876 3.435 -11.046) 12.975 4.992 ( 3.013 4.670 -0.019) 5.558 5.375 ( 7.266 4.841 6.991) 11.186 5.916 ( -3.879 -5.289 1.614) 6.754 6.037 ( 6.931 6.854 1.828) 9.918 6.458 ( 9.757 -4.386 3.637) 11.299 6.556 ( -2.203 9.920 1.438) 10.262 7.217 ( -1.216 12.785 10.680) 16.703 8.065 ( -4.275 -1.097 -0.047) 4.413 8.243 ( 1.829 -6.788 -1.031) 7.106 8.664 ( -1.464 13.194 7.043) 15.028 8.766 ( -3.408 10.383 -1.586) 11.043 9.573 ( -10.545 -0.723 2.266) 10.810 10.128 ( 11.601 -5.816 -6.243) 14.401 10.251 ( 23.516 5.588 21.426) 32.300 11.130 ( 8.085 -20.533 -0.527) 22.074 12.470 ( -3.269 11.380 -0.996) 11.882 12.894 ( 4.473 4.133 -6.001) 8.550 13.710 ( -5.044 -0.911 -0.015) 5.125 14.584 ( -8.099 -6.323 -6.674) 12.252 14.918 ( 2.320 -14.449 0.780) 14.655 15.341 ( -4.492 1.456 -6.014) 7.646 15.940 ( 9.930 -2.168 0.151) 10.165 18.869 ( -19.236 2.746 -18.562) 26.873 19.409 ( -2.704 -0.329 -3.255) 4.245 19.991 ( -5.859 6.083 -7.540) 11.322 20.562 ( -15.465 1.729 6.714) 16.949 21.642 ( 33.931 -16.773 16.312) 41.215 24.206 ( -3.997 4.699 -1.659) 6.388 24.443 ( -1.151 -1.614 -3.373) 3.912 ======================= Grid point 131 (63/260) ======================= q-point: ( 0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( 3.862 18.132 10.811) 21.461 2.320 ( 14.141 13.386 13.635) 23.771 3.151 ( 14.310 4.232 2.208) 15.085 3.609 ( 3.410 -11.081 13.640) 17.902 3.980 ( 5.508 -9.082 3.463) 11.172 4.284 ( -4.113 4.735 -6.147) 8.782 4.580 ( 0.982 14.228 -7.170) 15.963 5.074 ( 5.300 4.131 -5.454) 8.655 5.542 ( 7.756 8.192 5.822) 12.695 5.842 ( -4.057 -5.448 5.140) 8.518 6.159 ( 5.157 10.659 1.380) 11.921 6.512 ( -2.821 5.323 3.192) 6.817 6.628 ( 6.259 -8.427 -0.531) 10.510 7.193 ( -4.316 7.014 11.434) 14.091 7.977 ( -3.619 1.376 -2.742) 4.745 8.295 ( 1.981 -4.504 6.608) 8.239 8.624 ( -2.996 13.036 8.145) 15.661 8.670 ( -6.977 18.284 -2.979) 19.795 9.419 ( -2.693 -4.384 -0.155) 5.147 10.356 ( 11.625 -6.068 -7.652) 15.183 10.767 ( 21.545 2.747 23.802) 32.222 11.348 ( 13.438 -15.250 -0.926) 20.347 12.373 ( -6.028 12.479 -2.049) 14.009 12.987 ( 5.650 0.734 -4.768) 7.429 13.526 ( -12.465 4.690 6.680) 14.900 14.365 ( -12.257 -9.865 -7.090) 17.257 14.960 ( 1.607 -12.911 0.348) 13.015 15.241 ( -3.957 4.372 -3.905) 7.072 16.309 ( 27.369 -0.587 -11.660) 29.755 18.604 ( -5.045 -1.302 -8.072) 9.607 19.266 ( -10.766 1.393 -2.539) 11.149 19.801 ( -10.908 2.882 -9.092) 14.490 20.240 ( -18.216 4.490 6.985) 20.019 22.288 ( 28.105 -19.924 11.336) 36.268 24.083 ( -8.016 3.813 -3.488) 9.538 24.405 ( -1.775 -1.581 -2.224) 3.255 ======================= Grid point 132 (64/260) ======================= q-point: ( 0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 9.303 12.129 6.471) 16.599 2.631 ( 14.123 8.219 11.598) 20.039 3.363 ( 6.502 -2.166 -0.576) 6.877 3.622 ( -5.281 -9.286 9.035) 13.991 3.930 ( -9.095 4.471 2.113) 10.352 4.382 ( 13.926 -11.162 -7.257) 19.266 4.654 ( 6.632 19.188 -5.254) 20.971 5.147 ( 3.720 2.580 -12.003) 12.829 5.684 ( 3.652 9.063 7.726) 12.456 5.818 ( 2.044 -5.872 7.204) 9.517 6.253 ( 4.214 11.556 1.456) 12.386 6.455 ( -4.449 2.467 6.025) 7.886 6.697 ( 2.018 -6.942 -5.827) 9.285 7.093 ( -7.910 0.068 11.240) 13.745 7.904 ( -3.771 2.638 -1.338) 4.793 8.341 ( -0.584 -2.039 6.341) 6.686 8.497 ( -7.345 20.265 0.391) 21.558 8.598 ( -2.056 17.332 11.384) 20.838 9.502 ( 10.933 -5.324 -3.862) 12.759 10.527 ( 7.471 -7.114 -6.190) 12.031 11.142 ( 10.560 0.566 17.607) 20.538 11.597 ( 10.919 -3.467 -2.613) 11.750 12.251 ( -4.985 11.122 0.299) 12.192 13.050 ( -0.237 -3.506 -0.014) 3.514 13.345 ( -5.014 7.208 4.882) 10.046 14.086 ( -14.182 -13.804 -6.097) 20.709 14.974 ( 0.184 -7.303 -2.708) 7.792 15.178 ( -2.098 3.520 0.139) 4.100 16.896 ( 34.633 1.158 -17.082) 38.634 18.599 ( 4.485 -4.904 -0.588) 6.672 19.005 ( -14.236 3.171 -2.383) 14.778 19.563 ( -10.302 -1.466 -6.664) 12.357 19.886 ( -20.029 7.159 7.860) 22.676 22.797 ( 21.987 -19.061 7.617) 30.080 23.873 ( -12.214 0.587 -6.587) 13.889 24.371 ( -1.132 -0.227 -1.407) 1.820 ======================= Grid point 133 (65/260) ======================= q-point: ( 0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 11.517 4.521 2.799) 12.685 2.889 ( 7.263 0.033 12.020) 14.044 3.387 ( -3.997 6.713 -1.889) 8.038 3.498 ( -4.591 -6.219 1.151) 7.816 3.770 ( -7.619 1.985 2.989) 8.422 4.607 ( 7.578 -2.465 -15.747) 17.649 4.788 ( 8.464 12.212 -0.998) 14.892 5.169 ( 2.767 -2.518 -15.516) 15.961 5.736 ( 1.200 1.081 13.025) 13.125 5.931 ( 5.547 -1.424 2.577) 6.280 6.331 ( -2.246 6.766 5.342) 8.909 6.343 ( -4.057 3.114 5.120) 7.237 6.709 ( 1.816 -1.153 -7.053) 7.373 6.988 ( -4.073 -1.426 12.018) 12.770 7.818 ( -4.720 2.925 0.246) 5.558 8.213 ( -8.453 3.120 -5.968) 10.807 8.485 ( 0.281 16.704 15.112) 22.527 8.613 ( 1.276 19.994 11.725) 23.213 9.762 ( 14.215 -6.460 -5.470) 16.545 10.631 ( 4.778 -4.764 -2.425) 7.170 11.211 ( -5.807 -1.013 -0.138) 5.896 11.760 ( 7.266 12.812 2.258) 14.901 12.203 ( -1.604 1.855 3.512) 4.284 12.980 ( -5.730 1.566 6.637) 8.907 13.361 ( 4.438 -6.246 -1.739) 7.857 13.806 ( -12.301 -12.511 -5.703) 18.449 14.968 ( 0.516 0.019 -4.042) 4.075 15.149 ( -1.503 -0.750 2.601) 3.096 17.541 ( 34.416 4.530 -17.694) 38.962 18.720 ( -4.486 0.896 2.597) 5.260 18.748 ( 0.373 -2.541 -3.820) 4.603 19.406 ( -8.371 -1.475 7.807) 11.541 19.490 ( -18.001 4.655 1.774) 18.677 23.202 ( 18.140 -15.832 5.251) 24.643 23.577 ( -15.966 -4.334 -10.070) 19.367 24.352 ( -0.611 1.363 -1.434) 2.071 ======================= Grid point 134 (66/260) ======================= q-point: (-0.50 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 6.571 -2.000 -0.083) 6.869 2.847 ( -13.158 -1.376 10.502) 16.891 3.388 ( 3.441 7.351 -1.370) 8.231 3.443 ( 0.395 3.897 -2.457) 4.624 3.643 ( -5.591 -2.378 1.814) 6.341 4.597 ( -2.329 5.342 -16.242) 17.255 4.924 ( 4.975 8.849 -7.392) 12.558 5.228 ( 5.569 -9.213 -9.458) 14.330 5.781 ( -1.182 0.019 11.954) 12.013 6.021 ( 3.263 -1.535 0.544) 3.647 6.103 ( -12.920 2.147 2.483) 13.331 6.384 ( -0.426 5.787 6.032) 8.370 6.759 ( 3.721 3.937 0.894) 5.490 7.008 ( 2.625 -2.902 10.262) 10.983 7.734 ( -3.329 3.293 0.086) 4.683 8.065 ( -4.604 2.694 -8.093) 9.693 8.526 ( 0.913 16.086 14.954) 21.982 8.681 ( 1.865 19.117 13.796) 23.649 9.924 ( 1.437 -8.283 -5.834) 10.233 10.722 ( 3.253 -0.008 2.983) 4.414 10.999 ( -10.541 1.671 -12.309) 16.292 11.923 ( 8.353 18.779 6.445) 21.540 12.132 ( -7.057 -5.834 0.484) 9.169 12.894 ( -4.208 4.447 4.767) 7.759 13.444 ( 0.260 -16.297 -1.337) 16.353 13.632 ( 0.278 -7.957 -6.597) 10.340 14.986 ( 1.969 1.422 -3.577) 4.324 15.126 ( -1.310 -1.316 2.959) 3.493 18.138 ( 29.787 9.338 -13.241) 33.908 18.491 ( -11.438 1.237 -5.179) 12.617 18.920 ( 1.983 -3.113 3.311) 4.959 18.986 ( -17.703 7.117 7.489) 20.497 19.517 ( 9.209 -7.189 9.505) 15.061 23.203 ( -19.151 -10.706 -14.294) 26.186 23.540 ( 15.280 -10.016 4.262) 18.761 24.337 ( -0.504 2.262 -2.116) 3.138 ======================= Grid point 135 (67/260) ======================= q-point: (-0.40 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -16.039 3.012 6.148) 17.439 2.651 ( -7.958 4.990 1.068) 9.454 3.338 ( -2.492 -0.159 -5.593) 6.125 3.522 ( -3.711 -10.565 -6.469) 12.932 3.624 ( 8.713 11.112 4.924) 14.954 4.522 ( -0.593 4.487 -8.890) 9.975 4.987 ( 3.746 9.790 -8.887) 13.743 5.237 ( -5.356 -8.312 -1.984) 10.085 5.691 ( -8.532 5.110 0.346) 9.951 5.886 ( -7.448 5.456 8.835) 12.778 6.125 ( 5.045 -2.230 -3.511) 6.538 6.353 ( -3.609 4.416 5.772) 8.114 6.846 ( 4.141 3.585 5.543) 7.792 7.075 ( 0.442 -6.533 10.256) 12.169 7.712 ( 1.691 4.380 -2.677) 5.405 7.998 ( -0.351 -0.832 -8.231) 8.281 8.604 ( 3.843 15.265 12.153) 19.887 8.736 ( 0.311 15.886 14.971) 21.831 9.794 ( -11.596 -7.571 -3.823) 14.367 10.599 ( -13.282 0.435 -8.026) 15.525 10.924 ( 1.415 4.735 -2.498) 5.537 11.924 ( -13.173 -10.243 -1.209) 16.731 12.124 ( 10.241 19.927 5.189) 22.998 12.853 ( 0.080 5.358 -0.769) 5.413 13.318 ( -8.275 -4.111 -4.862) 10.441 13.823 ( 15.661 -17.983 -2.323) 23.959 14.997 ( -0.958 -4.470 -3.104) 5.526 15.138 ( 2.473 3.712 2.208) 4.977 18.161 ( -25.556 4.563 6.152) 26.679 18.539 ( -12.082 -2.917 -2.041) 12.595 18.658 ( 24.970 11.063 -6.790) 28.143 19.213 ( 15.861 2.302 -0.579) 16.037 19.800 ( 15.481 -7.969 16.631) 24.078 22.757 ( -22.716 -15.003 -18.181) 32.736 23.819 ( 12.181 -4.677 3.029) 13.395 24.324 ( -0.084 2.142 -3.161) 3.819 ======================= Grid point 136 (68/260) ======================= q-point: (-0.30 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( -14.218 12.131 7.051) 19.975 2.395 ( -16.723 12.106 0.192) 20.646 3.280 ( -2.934 -5.023 -6.810) 8.956 3.367 ( -9.434 -7.136 -4.290) 12.583 3.840 ( 11.050 8.247 2.130) 13.952 4.555 ( 3.707 -0.762 -0.133) 3.787 4.909 ( -13.344 7.412 4.662) 15.961 5.141 ( 1.286 2.041 -6.564) 6.993 5.535 ( -6.875 7.851 -4.621) 11.413 5.784 ( -5.167 5.401 6.717) 10.049 6.176 ( 0.234 -0.353 -7.075) 7.088 6.298 ( -2.562 2.641 7.250) 8.131 6.904 ( -1.630 3.155 5.876) 6.866 7.078 ( -0.623 -7.905 8.698) 11.770 7.776 ( 4.921 4.166 -3.455) 7.315 8.020 ( 4.609 -4.478 -6.943) 9.461 8.698 ( 0.699 14.748 11.367) 18.633 8.786 ( 3.507 9.092 10.233) 14.131 9.538 ( -11.993 -5.410 -1.791) 13.278 10.291 ( -15.237 5.618 -10.947) 19.585 10.879 ( -6.689 2.764 2.138) 7.547 11.630 ( -15.625 -15.293 -2.393) 21.995 12.328 ( 8.350 19.103 4.488) 21.326 12.913 ( 7.151 9.408 -8.218) 14.394 13.155 ( -6.581 -1.322 -3.254) 7.459 14.158 ( 17.893 -18.090 -1.316) 25.478 14.942 ( -3.392 -6.419 -2.529) 7.688 15.216 ( 4.582 3.696 0.223) 5.891 17.560 ( -34.832 -0.268 12.391) 36.971 18.479 ( 5.153 -4.216 -5.389) 8.566 19.098 ( 20.535 12.509 -0.207) 24.046 19.529 ( 16.020 2.528 -3.132) 16.518 20.170 ( 17.215 -5.549 20.103) 27.042 22.221 ( -27.577 -17.262 -21.968) 39.256 24.025 ( 8.202 0.603 1.747) 8.408 24.328 ( 1.588 0.909 -4.102) 4.491 ======================= Grid point 137 (69/260) ======================= q-point: (-0.20 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -10.356 16.995 4.521) 20.409 2.071 ( -14.592 21.108 6.852) 26.560 3.101 ( -12.967 1.432 -0.707) 13.065 3.247 ( -2.310 -7.358 -3.286) 8.383 4.025 ( 5.223 2.843 5.136) 7.858 4.512 ( -8.995 -1.560 5.760) 10.794 4.775 ( 1.689 11.201 -1.551) 11.434 5.139 ( -1.991 2.688 0.055) 3.345 5.388 ( -7.376 8.061 -0.704) 10.949 5.742 ( 0.567 4.773 -0.203) 4.811 6.114 ( -3.468 -2.769 -6.277) 7.688 6.278 ( -2.030 2.377 4.235) 5.263 6.797 ( -8.633 2.923 4.889) 10.343 7.116 ( 1.747 0.638 6.778) 7.028 7.876 ( 5.702 -0.995 -1.226) 5.916 8.145 ( 9.398 -3.737 -5.160) 11.354 8.664 ( -5.802 10.070 7.782) 13.987 8.900 ( 4.182 4.334 5.414) 8.098 9.373 ( -3.181 -1.927 -1.927) 4.189 9.976 ( -13.884 12.148 -5.667) 19.299 10.681 ( -13.654 0.663 3.380) 14.081 11.334 ( -13.264 -18.934 -2.204) 23.223 12.450 ( 3.526 14.788 2.791) 15.456 12.964 ( -2.472 9.361 -12.451) 15.772 13.182 ( 12.301 2.502 -2.014) 12.714 14.484 ( 14.978 -15.636 -1.165) 21.684 14.865 ( -3.709 -6.563 -2.765) 8.029 15.304 ( 4.433 1.066 -1.895) 4.938 16.916 ( -33.177 -5.719 14.844) 36.794 18.692 ( 17.195 -3.651 -3.830) 17.991 19.455 ( 15.463 9.853 3.119) 18.599 19.804 ( 12.543 3.201 -4.223) 13.616 20.528 ( 13.471 -1.854 19.783) 24.006 21.575 ( -32.458 -15.866 -23.141) 42.904 24.151 ( 4.743 4.021 0.016) 6.218 24.370 ( 3.414 -0.229 -4.218) 5.432 ======================= Grid point 138 (70/260) ======================= q-point: (-0.10 0.33 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -6.789 21.010 9.405) 23.999 1.940 ( -3.733 24.925 11.684) 27.780 2.857 ( -10.899 12.932 2.610) 17.113 3.229 ( 0.726 -9.518 3.568) 10.190 4.002 ( -7.642 -12.459 10.738) 18.137 4.449 ( 1.047 17.244 0.789) 17.293 4.789 ( 0.158 8.303 -9.722) 12.786 5.075 ( -4.918 0.341 4.676) 6.794 5.270 ( -4.279 6.184 4.770) 8.905 5.789 ( 3.911 5.648 -1.259) 6.984 6.043 ( -2.191 -8.333 -6.888) 11.031 6.238 ( -1.860 2.086 5.477) 6.149 6.659 ( -5.427 11.284 3.070) 12.892 7.163 ( 1.406 7.114 7.100) 10.149 7.984 ( 5.072 -5.181 1.378) 7.380 8.348 ( 11.070 1.402 -4.432) 12.006 8.521 ( -8.705 2.503 2.927) 9.518 8.926 ( -2.616 1.995 4.524) 5.593 9.431 ( 9.094 1.716 -4.592) 10.331 9.777 ( -5.007 15.762 4.968) 17.268 10.385 ( -16.612 -1.931 3.751) 17.140 11.124 ( -7.274 -21.134 -1.830) 22.425 12.497 ( 1.184 12.327 1.120) 12.435 12.885 ( -2.165 6.342 -8.294) 10.663 13.460 ( 15.072 3.306 -7.401) 17.113 14.719 ( 8.635 -11.513 -0.162) 14.392 14.791 ( -2.524 -8.466 -4.448) 9.890 15.375 ( 3.406 -1.323 -4.450) 5.758 16.356 ( -27.086 -8.471 16.277) 32.716 19.078 ( 20.510 -3.517 -6.215) 21.718 19.686 ( 4.423 4.282 -2.194) 6.536 19.989 ( 7.168 4.486 -4.535) 9.595 20.723 ( -0.053 -0.153 11.164) 11.165 20.964 ( -17.748 -8.948 -6.215) 20.825 24.223 ( 2.818 4.703 -1.069) 5.586 24.426 ( 2.901 -0.308 -4.143) 5.067 ======================= Grid point 139 (71/260) ======================= q-point: ( 0.00 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 2.022 14.311 12.558) 19.146 2.309 ( -1.936 9.031 14.038) 16.804 2.963 ( 5.533 3.773 -5.503) 8.668 3.095 ( 3.882 -8.209 8.850) 12.680 3.629 ( -8.382 -6.745 14.366) 17.948 4.756 ( -1.876 2.637 -6.077) 6.885 4.958 ( 0.165 12.093 -4.387) 12.865 5.076 ( -5.214 11.577 3.149) 13.082 5.319 ( 0.415 0.096 4.211) 4.233 5.640 ( 2.436 -18.214 -1.312) 18.422 6.039 ( 5.084 3.738 3.608) 7.269 6.286 ( 3.255 -0.196 3.158) 4.540 6.796 ( -3.142 5.223 -2.171) 6.470 7.424 ( 2.181 8.220 9.109) 12.462 7.923 ( 4.656 -7.096 5.005) 9.854 8.304 ( -12.185 0.221 -4.932) 13.147 8.694 ( 13.334 2.661 10.194) 16.994 8.957 ( 0.548 5.051 1.645) 5.340 9.669 ( 10.818 0.570 -4.008) 11.551 9.971 ( -15.806 -3.921 2.977) 16.555 10.172 ( 4.898 17.384 7.191) 19.440 10.606 ( 0.655 -20.544 2.371) 20.691 12.723 ( -0.950 7.374 -0.498) 7.452 12.925 ( 0.255 1.638 -5.017) 5.284 13.689 ( 5.696 0.749 -5.026) 7.633 14.486 ( 0.145 -11.128 -6.945) 13.118 14.695 ( 0.752 -1.829 0.064) 1.979 15.421 ( 1.444 1.006 -6.601) 6.832 15.886 ( -11.356 -1.909 9.026) 14.632 19.326 ( 8.236 -0.448 -18.125) 19.914 19.439 ( -22.386 0.368 -12.328) 25.559 20.151 ( 2.250 2.698 -10.247) 10.832 20.776 ( -1.256 1.570 13.102) 13.256 20.846 ( 13.861 -5.056 17.745) 23.077 24.340 ( -0.082 4.123 -1.393) 4.353 24.414 ( 0.131 -2.944 -2.021) 3.573 ======================= Grid point 140 (72/260) ======================= q-point: ( 0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 2.900 9.388 15.290) 18.175 2.364 ( 4.611 10.969 10.644) 15.965 3.081 ( 7.151 5.354 -5.422) 10.450 3.238 ( 7.518 -8.130 13.419) 17.398 3.594 ( 2.533 -8.820 9.552) 13.246 4.603 ( -10.906 1.512 -6.583) 12.828 4.945 ( 0.378 20.703 -6.894) 21.824 5.056 ( 2.149 2.030 0.881) 3.085 5.397 ( 5.585 -6.765 4.253) 9.749 5.710 ( 4.528 -7.465 2.474) 9.075 6.180 ( 7.311 4.161 4.548) 9.563 6.370 ( 3.978 -2.734 4.125) 6.350 6.714 ( -4.386 4.195 -3.301) 6.908 7.419 ( -5.479 5.857 11.962) 14.402 8.034 ( 3.913 -2.129 7.919) 9.086 8.124 ( -3.783 -2.926 -4.134) 6.322 8.801 ( -1.049 3.188 6.595) 7.400 9.088 ( 7.204 13.727 4.385) 16.111 9.534 ( -16.485 -2.990 1.615) 16.831 9.987 ( 10.948 -5.778 -5.385) 13.500 10.433 ( 18.273 11.294 12.082) 24.646 10.741 ( 12.545 -16.486 4.856) 21.278 12.691 ( -2.142 7.829 -1.817) 8.317 12.938 ( 1.880 0.444 -4.863) 5.233 13.712 ( -2.566 0.855 -0.637) 2.779 14.383 ( -8.579 -9.524 -7.125) 14.665 14.733 ( 2.813 -3.164 0.228) 4.239 15.383 ( -3.298 1.379 -5.171) 6.286 15.907 ( 12.208 -0.841 -1.640) 12.347 18.902 ( -20.669 0.717 -19.278) 28.272 19.405 ( -1.372 -0.080 -5.151) 5.332 20.083 ( -6.965 2.467 -11.127) 13.357 20.597 ( -14.045 1.272 9.339) 16.914 21.398 ( 29.795 -6.503 17.362) 35.093 24.296 ( -4.462 3.805 -1.630) 6.086 24.393 ( -1.322 -2.846 -2.037) 3.741 ======================= Grid point 141 (73/260) ======================= q-point: ( 0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 2.674 12.681 10.322) 16.569 2.512 ( 7.379 3.284 10.678) 13.389 3.210 ( 6.642 1.478 -1.792) 7.036 3.407 ( 5.547 -6.637 12.268) 15.011 3.771 ( 13.430 -7.028 2.223) 15.320 4.349 ( -12.667 1.033 -4.708) 13.553 4.960 ( 2.969 17.849 -8.218) 19.873 5.123 ( 4.440 0.915 -6.267) 7.735 5.525 ( 5.734 -10.926 6.801) 14.089 5.814 ( 4.744 4.697 2.821) 7.247 6.321 ( 5.715 4.415 4.071) 8.290 6.438 ( 1.175 -6.332 5.433) 8.425 6.626 ( -2.938 2.829 -2.833) 4.966 7.279 ( -10.697 1.745 12.235) 16.346 8.010 ( -3.028 1.373 -2.439) 4.123 8.204 ( 5.230 -3.186 12.017) 13.487 8.798 ( -0.247 5.828 5.634) 8.110 9.100 ( -6.712 16.176 1.282) 17.561 9.327 ( -2.077 -4.198 -1.225) 4.841 10.173 ( 9.035 -8.819 -4.411) 13.374 10.851 ( 18.766 4.382 11.706) 22.548 11.101 ( 21.094 -7.972 9.995) 24.666 12.630 ( -3.463 10.167 -2.980) 11.146 12.952 ( -0.180 -3.449 -4.437) 5.622 13.615 ( -6.324 3.881 3.132) 8.054 14.131 ( -15.063 -9.847 -6.293) 19.064 14.797 ( 3.491 -3.253 0.146) 4.774 15.309 ( -2.884 1.831 -4.031) 5.284 16.302 ( 28.322 -0.146 -11.378) 30.522 18.582 ( -8.204 -0.635 -10.203) 13.108 19.290 ( -8.636 0.721 -5.297) 10.156 19.835 ( -14.693 0.621 -10.733) 18.207 20.322 ( -15.949 2.635 10.007) 19.012 21.997 ( 27.120 -7.667 12.222) 30.719 24.147 ( -10.198 1.999 -3.575) 10.990 24.370 ( -0.499 -1.315 -1.318) 1.928 ======================= Grid point 142 (74/260) ======================= q-point: ( 0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( 3.597 12.297 6.507) 14.370 2.682 ( 6.909 -4.136 9.768) 12.659 3.315 ( 3.993 -1.777 -0.503) 4.399 3.492 ( 0.880 -2.562 7.185) 7.679 4.030 ( 1.493 5.238 -0.558) 5.475 4.175 ( 6.945 -8.464 -5.164) 12.105 5.013 ( 4.037 13.380 -10.430) 17.439 5.163 ( 1.470 -0.631 -15.170) 15.254 5.646 ( 4.102 -8.208 12.573) 15.566 5.889 ( 2.340 8.369 0.896) 8.736 6.401 ( -3.930 -3.628 7.265) 9.021 6.423 ( 0.983 1.882 7.037) 7.350 6.632 ( 4.515 0.614 -4.136) 6.154 7.096 ( -9.799 0.098 11.484) 15.097 7.944 ( -3.406 1.182 -0.761) 3.684 8.253 ( -4.495 -3.474 9.463) 11.037 8.824 ( 2.144 10.585 6.506) 12.608 9.017 ( -0.715 16.894 5.000) 17.633 9.366 ( 5.746 -7.625 -4.496) 10.553 10.334 ( 8.822 -8.409 -3.225) 12.607 11.155 ( 9.331 0.662 4.248) 10.274 11.541 ( 19.451 -1.551 13.524) 23.741 12.544 ( -4.632 14.764 -2.153) 15.623 12.892 ( -4.793 -10.561 -2.106) 11.788 13.513 ( -5.216 8.672 1.995) 10.314 13.801 ( -15.750 -12.573 -4.145) 20.575 14.863 ( 3.029 -2.782 -0.129) 4.115 15.249 ( -2.427 2.199 -3.106) 4.513 16.917 ( 36.640 0.674 -16.827) 40.325 18.524 ( 3.118 -2.064 -2.592) 4.549 19.062 ( -12.731 1.807 -6.234) 14.290 19.525 ( -13.214 -1.425 -5.790) 14.497 20.006 ( -19.279 3.512 10.504) 22.234 22.511 ( 23.087 -7.687 8.143) 25.659 23.883 ( -15.384 0.316 -6.147) 16.570 24.366 ( 0.308 -0.181 -1.166) 1.220 ======================= Grid point 143 (75/260) ======================= q-point: ( 0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( 3.535 6.770 3.563) 8.427 2.797 ( 1.869 -6.914 9.774) 12.117 3.363 ( 1.210 -3.361 -0.320) 3.586 3.496 ( -0.401 2.103 0.154) 2.146 3.903 ( -6.937 7.048 1.312) 9.976 4.482 ( 16.718 -5.966 -11.553) 21.179 5.031 ( 0.255 8.033 -14.615) 16.679 5.131 ( 0.733 -1.216 -17.940) 17.996 5.733 ( 1.272 -1.993 16.615) 16.783 5.924 ( 1.625 2.133 1.170) 2.926 6.268 ( -9.880 -5.083 11.354) 15.886 6.470 ( 0.757 3.619 5.702) 6.796 6.757 ( 8.248 3.198 -2.344) 9.151 6.976 ( -4.842 -0.148 10.447) 11.516 7.875 ( -3.467 2.388 -0.129) 4.212 8.104 ( -9.846 -5.880 2.120) 11.662 8.902 ( 2.849 9.947 10.344) 14.631 9.038 ( 0.350 26.146 5.562) 26.733 9.517 ( 8.879 -18.177 -2.028) 20.330 10.524 ( 11.304 -3.907 -1.366) 12.038 11.203 ( -4.309 0.138 -5.627) 7.089 11.893 ( 13.103 1.500 11.108) 17.244 12.431 ( -7.139 17.744 1.246) 19.167 12.812 ( -1.664 -15.923 2.810) 16.255 13.345 ( -11.343 2.801 -2.751) 12.003 13.594 ( -4.522 -7.077 -2.579) 8.786 14.909 ( 1.644 -2.570 -0.432) 3.081 15.204 ( -1.373 2.619 -1.993) 3.566 17.614 ( 37.628 2.109 -18.115) 41.815 18.660 ( 9.800 -2.372 1.640) 10.216 18.787 ( -12.961 1.988 -6.687) 14.719 19.336 ( -5.606 -2.583 4.219) 7.476 19.604 ( -23.641 3.633 8.472) 25.375 22.942 ( 18.779 -7.409 4.078) 20.595 23.533 ( -17.654 -0.765 -7.675) 19.265 24.370 ( 0.309 0.437 -1.591) 1.679 ======================= Grid point 144 (76/260) ======================= q-point: (-0.50 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -0.574 -0.725 1.251) 1.556 2.804 ( -2.431 -1.649 9.778) 10.210 3.364 ( -1.086 -3.689 -1.311) 4.063 3.484 ( -1.515 1.308 -4.865) 5.261 3.811 ( -1.839 9.403 1.762) 9.742 4.610 ( -1.436 -2.853 -17.543) 17.832 5.064 ( 7.430 3.964 -16.481) 18.508 5.123 ( 3.179 -1.228 -14.276) 14.677 5.777 ( -0.747 -0.181 16.725) 16.743 5.970 ( 2.694 -2.239 2.114) 4.091 6.095 ( -9.744 -1.233 12.358) 15.785 6.469 ( -2.229 2.248 5.313) 6.184 6.885 ( 2.633 6.250 5.042) 8.451 6.965 ( 1.924 -2.032 6.726) 7.285 7.807 ( -3.120 4.362 -0.787) 5.420 7.946 ( -5.049 -8.321 -3.668) 10.402 8.964 ( 0.416 7.775 13.765) 15.814 9.047 ( -0.252 27.322 2.516) 27.439 9.622 ( 0.606 -20.369 1.130) 20.409 10.722 ( 4.280 -0.007 3.337) 5.427 11.029 ( -6.268 1.066 -14.403) 15.744 12.019 ( -6.370 -2.297 3.121) 7.456 12.354 ( 3.625 18.713 6.309) 20.078 12.843 ( 1.562 -11.097 8.062) 13.806 13.192 ( -0.436 -4.905 -5.165) 7.136 13.516 ( -3.460 -3.059 -6.075) 7.631 14.922 ( -0.290 -2.956 -0.663) 3.044 15.195 ( 0.910 3.135 -1.094) 3.443 18.274 ( 32.295 3.538 -15.104) 35.827 18.528 ( -10.332 1.329 -9.380) 14.018 18.892 ( 8.616 0.618 7.376) 11.359 19.066 ( -24.569 0.354 13.642) 28.105 19.407 ( 6.290 -2.628 4.876) 8.381 22.997 ( -17.698 -6.571 -13.324) 23.107 23.437 ( 13.968 -1.709 4.815) 14.873 24.367 ( -0.229 0.692 -2.282) 2.396 ======================= Grid point 145 (77/260) ======================= q-point: (-0.40 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -5.966 -0.901 1.138) 6.140 2.770 ( -3.816 4.073 8.985) 10.577 3.301 ( -4.746 -3.812 -5.478) 8.190 3.377 ( -7.441 -1.867 -6.653) 10.155 3.872 ( 7.358 10.302 1.123) 12.709 4.482 ( -5.626 -5.932 -8.832) 12.036 5.116 ( 4.391 1.322 -16.390) 17.019 5.186 ( 0.283 2.942 -8.912) 9.390 5.785 ( -0.854 3.726 2.335) 4.479 5.962 ( -6.644 2.090 15.909) 17.367 6.032 ( 2.446 -5.376 3.214) 6.724 6.408 ( -4.991 1.214 3.760) 6.366 6.932 ( 2.057 3.518 8.988) 9.869 6.993 ( -2.220 -1.812 8.226) 8.711 7.779 ( 1.375 2.969 -4.937) 5.922 7.893 ( 0.388 -6.232 -6.015) 8.670 8.982 ( -1.981 6.748 15.342) 16.877 9.043 ( -0.459 23.202 0.599) 23.214 9.541 ( -8.235 -16.744 1.464) 18.717 10.590 ( -11.702 -0.755 -1.928) 11.883 11.019 ( 1.717 3.420 -6.744) 7.754 11.742 ( -18.593 -5.561 -0.075) 19.407 12.541 ( 10.187 18.720 6.816) 22.376 12.867 ( 1.014 -6.043 3.574) 7.094 13.285 ( 3.811 2.256 -5.573) 7.118 13.479 ( 6.970 -13.493 -6.738) 16.615 14.895 ( -2.169 -3.105 -0.822) 3.876 15.231 ( 2.804 2.984 -0.888) 4.190 18.262 ( -27.201 5.369 6.664) 28.515 18.419 ( -10.492 -6.429 -4.039) 12.951 18.934 ( 24.500 12.113 -7.623) 28.374 19.206 ( 14.873 -3.667 3.708) 15.760 19.658 ( 15.983 -4.423 14.037) 21.727 22.527 ( -24.477 -6.263 -16.969) 30.435 23.759 ( 15.505 -1.342 3.892) 16.043 24.352 ( -0.609 0.627 -3.040) 3.163 ======================= Grid point 146 (78/260) ======================= q-point: (-0.30 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( -6.494 4.002 1.738) 7.823 2.667 ( -9.044 11.080 9.538) 17.191 3.173 ( -5.936 -7.742 -7.825) 12.506 3.196 ( -8.520 -3.837 -7.282) 11.846 4.062 ( 9.612 12.355 2.032) 15.785 4.386 ( -3.360 -12.209 4.189) 13.337 5.074 ( -7.297 6.091 -4.680) 10.594 5.188 ( 5.551 1.093 -11.054) 12.418 5.697 ( -7.571 5.656 -5.845) 11.112 5.884 ( -6.337 5.357 9.490) 12.607 6.103 ( 3.858 -6.593 2.075) 7.916 6.297 ( -6.655 -0.868 2.600) 7.197 6.929 ( -4.621 -0.486 8.339) 9.546 7.031 ( 5.172 1.513 9.246) 10.702 7.808 ( 1.793 -0.144 -7.141) 7.365 7.935 ( 5.542 -2.700 -4.278) 7.503 8.953 ( -4.814 5.697 13.931) 15.802 9.035 ( -0.085 15.922 -1.549) 15.998 9.369 ( -7.769 -11.090 0.479) 13.549 10.382 ( -8.856 2.402 -1.869) 9.364 10.943 ( -8.585 3.347 -1.163) 9.288 11.348 ( -20.747 -9.767 -0.355) 22.933 12.694 ( 3.216 14.904 4.690) 15.952 12.967 ( 8.217 -5.167 1.160) 9.776 13.227 ( -2.594 8.152 -11.289) 14.164 13.785 ( 19.922 -15.154 -3.839) 25.323 14.838 ( -3.278 -2.819 -0.837) 4.404 15.289 ( 3.147 2.250 -1.429) 4.124 17.570 ( -39.518 0.684 13.184) 41.665 18.399 ( 6.746 -2.554 -7.497) 10.403 19.353 ( 17.001 11.060 1.533) 20.340 19.523 ( 17.574 -3.650 -5.656) 18.819 20.067 ( 20.680 -3.415 19.791) 28.827 21.974 ( -27.807 -6.291 -19.149) 34.344 24.036 ( 11.771 0.330 2.280) 11.994 24.336 ( 0.003 0.066 -3.616) 3.616 ======================= Grid point 147 (79/260) ======================= q-point: (-0.20 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -5.686 8.311 2.441) 10.361 2.493 ( -9.963 16.388 12.236) 22.750 3.010 ( -6.846 -6.583 -6.860) 11.716 3.082 ( -3.104 -8.002 -3.442) 9.247 4.076 ( -11.148 2.241 12.369) 16.802 4.470 ( 11.305 -2.310 1.886) 11.691 4.969 ( -1.696 5.368 -3.381) 6.567 5.251 ( 1.349 7.386 -3.042) 8.101 5.517 ( -8.398 2.787 -3.682) 9.584 5.740 ( -8.422 -3.925 1.893) 9.482 6.100 ( -5.077 3.369 -3.551) 7.052 6.225 ( -0.200 -5.582 3.156) 6.416 6.874 ( -2.555 2.573 6.168) 7.155 7.171 ( 6.728 3.051 7.571) 10.578 7.813 ( 0.700 -3.292 -4.047) 5.264 8.093 ( 11.164 -1.268 -1.260) 11.306 8.833 ( -10.196 4.625 5.442) 12.449 9.031 ( -0.716 7.148 -0.778) 7.226 9.298 ( 1.602 -4.768 0.095) 5.031 10.227 ( -6.889 9.763 0.817) 11.977 10.699 ( -15.776 1.895 2.146) 16.033 10.962 ( -17.700 -14.692 0.395) 23.006 12.729 ( 0.429 10.101 1.908) 10.289 13.026 ( -2.765 -1.799 -2.830) 4.346 13.299 ( 12.118 6.738 -8.763) 16.402 14.148 ( 17.022 -12.881 -4.851) 21.891 14.770 ( -3.363 -2.334 -0.676) 4.149 15.342 ( 2.748 1.441 -2.524) 4.000 16.850 ( -36.113 -1.345 13.323) 38.516 18.631 ( 18.095 -1.778 -6.486) 19.305 19.621 ( 10.005 5.240 6.505) 13.034 19.834 ( 15.270 0.052 -10.556) 18.563 20.497 ( 16.773 -0.969 20.421) 26.444 21.354 ( -30.390 -5.471 -18.161) 35.823 24.224 ( 6.982 2.640 0.701) 7.497 24.345 ( 1.948 -1.549 -3.479) 4.278 ======================= Grid point 148 (80/260) ======================= q-point: (-0.10 0.44 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( -3.255 12.975 6.328) 14.798 2.362 ( -6.575 13.105 15.044) 21.007 2.920 ( -0.439 -1.532 -5.282) 5.517 3.047 ( -0.148 -8.812 2.539) 9.172 3.829 ( -14.699 -3.561 15.217) 21.455 4.689 ( 8.866 4.373 -2.043) 10.095 4.961 ( 0.406 4.283 -2.032) 4.758 5.197 ( -6.118 16.025 2.318) 17.309 5.373 ( -5.949 2.984 1.402) 6.801 5.630 ( -1.595 -18.649 -3.544) 19.050 6.004 ( -2.279 3.176 -0.502) 3.941 6.239 ( 0.985 -1.057 1.734) 2.257 6.844 ( -1.869 5.019 1.767) 5.640 7.317 ( 6.121 6.379 7.150) 11.371 7.841 ( 2.829 -6.508 0.506) 7.114 8.363 ( 15.839 0.231 4.220) 16.393 8.586 ( -14.533 2.382 -1.844) 14.842 8.993 ( -2.809 3.292 1.671) 4.639 9.431 ( 11.234 -0.995 -2.817) 11.625 10.125 ( -3.740 15.479 4.892) 16.659 10.359 ( -18.839 0.810 2.987) 19.091 10.691 ( -9.579 -19.276 1.432) 21.573 12.733 ( -0.170 8.257 0.522) 8.275 12.957 ( -2.333 1.052 -4.958) 5.580 13.527 ( 11.592 2.793 -6.910) 13.781 14.401 ( 9.727 -12.041 -6.002) 16.602 14.712 ( -2.199 -1.646 -0.397) 2.775 15.387 ( 2.660 0.890 -4.267) 5.106 16.253 ( -27.047 -2.224 12.475) 29.868 19.026 ( 21.593 -1.365 -8.648) 23.300 19.747 ( -0.980 1.542 -2.847) 3.382 20.056 ( 9.587 1.802 -10.550) 14.368 20.741 ( -3.818 2.129 9.477) 10.436 20.817 ( -9.475 -5.416 3.896) 11.588 24.316 ( 2.833 4.175 -1.133) 5.171 24.390 ( 2.632 -2.872 -2.197) 4.473 ======================= Grid point 189 (81/260) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -3.651 0.000 26.297) 26.549 1.245 ( 9.817 0.000 30.140) 31.698 2.365 ( 9.315 0.000 54.552) 55.341 3.664 ( -2.305 0.000 -0.517) 2.362 3.811 ( 10.238 0.000 2.539) 10.548 4.175 ( 6.112 0.000 -8.451) 10.430 4.851 ( -6.086 0.000 4.739) 7.714 4.897 ( 0.638 0.000 -7.364) 7.392 5.458 ( 2.044 0.000 10.504) 10.701 5.465 ( -11.140 0.000 9.540) 14.667 5.727 ( 7.006 0.000 14.113) 15.757 6.104 ( 4.793 0.000 7.954) 9.287 6.370 ( -7.117 0.000 7.496) 10.336 7.025 ( -3.256 0.000 8.434) 9.041 7.586 ( 0.333 0.000 -12.783) 12.788 8.206 ( -2.297 0.000 1.734) 2.878 8.688 ( -6.470 0.000 -6.334) 9.054 8.767 ( 0.669 0.000 18.125) 18.138 9.171 ( 12.331 0.000 -9.992) 15.871 10.332 ( -5.525 0.000 3.270) 6.421 10.478 ( 36.016 0.000 0.067) 36.016 10.984 ( -1.808 0.000 -12.339) 12.470 11.870 ( 4.535 0.000 -12.088) 12.911 12.279 ( 4.326 0.000 -10.072) 10.961 13.906 ( 16.469 0.000 4.127) 16.978 14.897 ( -0.900 0.000 -2.483) 2.641 14.926 ( -1.931 0.000 4.739) 5.118 15.553 ( 3.042 0.000 -15.072) 15.376 18.161 (-101.919 0.000 -0.746) 101.922 18.267 ( 13.610 0.000 1.267) 13.669 19.517 ( 0.352 0.000 1.276) 1.324 19.713 ( -0.330 0.000 -0.780) 0.846 20.917 ( -15.594 0.000 10.089) 18.573 22.077 ( 77.943 0.000 -5.308) 78.123 23.547 ( 3.571 0.000 2.187) 4.187 24.004 ( -1.688 0.000 -3.235) 3.649 ======================= Grid point 190 (82/260) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 13.518 0.000 22.534) 26.278 1.636 ( 20.698 0.000 22.892) 30.862 2.807 ( 22.008 0.000 48.768) 53.504 3.639 ( -1.067 0.000 0.791) 1.328 3.958 ( 4.445 0.000 -7.276) 8.526 4.277 ( 3.864 0.000 0.688) 3.925 4.803 ( 0.114 0.000 7.303) 7.304 4.856 ( -1.675 0.000 -6.823) 7.026 5.286 ( -8.088 0.000 9.707) 12.635 5.431 ( -0.764 0.000 8.060) 8.097 5.866 ( 3.880 0.000 11.825) 12.446 6.323 ( -1.259 0.000 7.760) 7.862 6.509 ( 23.108 0.000 -0.168) 23.109 6.967 ( -4.431 0.000 6.435) 7.814 7.588 ( 2.619 0.000 -11.475) 11.770 8.094 ( -8.045 0.000 -4.415) 9.177 8.503 ( -9.478 0.000 -9.106) 13.143 8.835 ( 0.714 0.000 24.105) 24.116 9.399 ( 10.947 0.000 -5.604) 12.298 10.265 ( -1.176 0.000 1.852) 2.193 10.932 ( 0.234 0.000 -15.415) 15.417 11.153 ( 31.604 0.000 -15.321) 35.122 11.868 ( -2.376 0.000 -10.576) 10.840 12.426 ( 12.492 0.000 -8.344) 15.023 14.167 ( 4.554 0.000 0.589) 4.592 14.848 ( -7.714 0.000 4.022) 8.699 14.864 ( -1.957 0.000 -6.191) 6.493 15.553 ( 0.278 0.000 -10.608) 10.611 16.568 ( -52.240 0.000 29.521) 60.004 18.565 ( 15.506 0.000 8.075) 17.483 19.456 ( -6.875 0.000 0.834) 6.926 19.669 ( -4.294 0.000 -0.674) 4.347 20.529 ( -24.677 0.000 3.164) 24.879 23.284 ( 45.576 0.000 -26.119) 52.530 23.675 ( 8.163 0.000 3.251) 8.787 23.937 ( -4.390 0.000 -4.643) 6.390 ======================= Grid point 191 (83/260) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 21.175 0.000 17.439) 27.432 2.089 ( 20.035 0.000 18.682) 27.394 3.368 ( 22.003 0.000 28.029) 35.634 3.606 ( -1.977 0.000 8.558) 8.783 3.959 ( -1.274 0.000 -12.771) 12.835 4.257 ( -7.397 0.000 4.961) 8.906 4.839 ( -0.831 0.000 7.229) 7.277 4.862 ( 4.814 0.000 -6.196) 7.847 5.281 ( 7.443 0.000 9.642) 12.180 5.506 ( 6.276 0.000 5.216) 8.161 5.936 ( 0.827 0.000 9.739) 9.774 6.317 ( -1.020 0.000 5.226) 5.324 6.852 ( 4.915 0.000 11.315) 12.336 6.898 ( 3.249 0.000 -4.522) 5.568 7.615 ( 1.887 0.000 -9.555) 9.740 7.889 ( -11.306 0.000 -5.614) 12.623 8.291 ( -9.877 0.000 -8.609) 13.102 8.896 ( -0.714 0.000 27.763) 27.772 9.549 ( 5.392 0.000 0.296) 5.400 10.322 ( 7.219 0.000 -4.227) 8.365 10.928 ( 2.800 0.000 -15.226) 15.481 11.589 ( 12.195 0.000 -17.815) 21.589 11.760 ( -1.108 0.000 -5.807) 5.912 12.713 ( 18.273 0.000 -8.174) 20.018 13.941 ( -26.301 0.000 26.279) 37.179 14.748 ( -1.302 0.000 -0.588) 1.428 14.765 ( -6.735 0.000 -11.674) 13.477 15.532 ( -0.200 0.000 -4.199) 4.204 16.270 ( 8.476 0.000 6.686) 10.796 18.902 ( 15.402 0.000 15.744) 22.025 19.259 ( -12.820 0.000 -0.475) 12.829 19.546 ( -7.853 0.000 -0.332) 7.860 20.010 ( -26.943 0.000 -3.259) 27.140 23.797 ( 0.282 0.000 -13.982) 13.985 23.845 ( 12.245 0.000 -14.439) 18.932 23.856 ( 9.017 0.000 2.831) 9.451 ======================= Grid point 192 (84/260) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 22.979 0.000 13.764) 26.786 2.503 ( 18.148 0.000 15.586) 23.922 3.419 ( -10.260 0.000 7.985) 13.001 3.872 ( -4.011 0.000 -13.373) 13.961 3.892 ( 16.595 0.000 12.810) 20.964 4.027 ( -16.917 0.000 9.485) 19.395 4.797 ( -3.143 0.000 -0.262) 3.154 5.025 ( 12.315 0.000 -3.386) 12.772 5.573 ( 17.282 0.000 10.837) 20.399 5.682 ( 10.172 0.000 3.253) 10.679 5.947 ( -1.513 0.000 6.697) 6.865 6.291 ( -3.228 0.000 3.493) 4.756 6.765 ( -6.508 0.000 0.459) 6.524 7.110 ( 10.603 0.000 8.338) 13.488 7.596 ( -2.169 0.000 -6.129) 6.501 7.647 ( -11.698 0.000 -0.976) 11.739 8.084 ( -9.299 0.000 -5.992) 11.062 8.935 ( -2.107 0.000 30.124) 30.198 9.653 ( 6.082 0.000 0.196) 6.085 10.494 ( 10.451 0.000 -5.805) 11.955 10.963 ( 3.950 0.000 -13.658) 14.218 11.432 ( -13.650 0.000 -10.596) 17.280 11.948 ( 11.130 0.000 -8.251) 13.855 13.088 ( 21.658 0.000 -9.635) 23.705 13.511 ( -21.531 0.000 30.195) 37.086 14.533 ( -13.653 0.000 -15.061) 20.329 14.738 ( -0.561 0.000 1.272) 1.391 15.529 ( 0.151 0.000 0.168) 0.226 16.631 ( 24.399 0.000 -6.475) 25.243 18.940 ( -16.246 0.000 0.718) 16.261 19.200 ( 0.661 0.000 18.317) 18.329 19.372 ( -9.462 0.000 0.111) 9.463 19.566 ( -8.862 0.000 -6.956) 11.266 23.645 ( -7.582 0.000 -7.925) 10.968 24.021 ( 6.841 0.000 1.536) 7.011 24.045 ( 8.134 0.000 -16.826) 18.689 ======================= Grid point 193 (85/260) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 21.183 0.000 10.084) 23.461 2.848 ( 11.071 0.000 9.834) 14.808 3.214 ( -9.779 0.000 14.701) 17.656 3.672 ( -20.941 0.000 12.363) 24.318 3.760 ( -4.097 0.000 -10.884) 11.630 4.118 ( 5.241 0.000 -3.530) 6.319 4.732 ( -2.728 0.000 -5.006) 5.701 5.271 ( 11.406 0.000 -1.015) 11.451 5.881 ( -0.206 0.000 7.484) 7.487 5.886 ( 8.463 0.000 1.871) 8.667 5.963 ( 12.584 0.000 5.126) 13.588 6.186 ( -8.456 0.000 4.475) 9.567 6.631 ( -5.400 0.000 -5.703) 7.854 7.323 ( 4.199 0.000 7.751) 8.815 7.517 ( 3.349 0.000 13.028) 13.452 7.518 ( -3.759 0.000 -3.014) 4.818 7.907 ( -7.508 0.000 -2.890) 8.045 8.956 ( -2.913 0.000 31.666) 31.799 9.791 ( 7.696 0.000 -2.484) 8.087 10.668 ( 7.865 0.000 -4.573) 9.097 11.010 ( 3.588 0.000 -11.206) 11.766 11.105 ( -16.810 0.000 -11.018) 20.099 12.061 ( 1.758 0.000 -5.695) 5.960 13.265 ( -10.183 0.000 23.890) 25.969 13.490 ( 20.738 0.000 -14.034) 25.040 14.189 ( -16.542 0.000 -12.800) 20.915 14.732 ( -0.445 0.000 4.097) 4.122 15.525 ( -0.990 0.000 0.884) 1.327 17.116 ( 25.791 0.000 -8.097) 27.032 18.628 ( -14.084 0.000 -2.517) 14.307 18.927 ( -18.692 0.000 -0.956) 18.717 19.194 ( -8.333 0.000 0.580) 8.354 19.768 ( 16.562 0.000 15.475) 22.666 23.483 ( -6.772 0.000 -10.504) 12.497 24.111 ( 2.729 0.000 -13.872) 14.138 24.117 ( 2.611 0.000 -0.080) 2.612 ======================= Grid point 194 (86/260) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -17.713 0.000 8.548) 19.668 2.896 ( 4.406 0.000 4.502) 6.300 3.328 ( -12.703 0.000 14.450) 19.240 3.344 ( 13.776 0.000 15.899) 21.037 3.697 ( 1.016 0.000 -6.587) 6.665 4.080 ( -7.473 0.000 -11.839) 14.001 4.676 ( -1.280 0.000 -6.225) 6.355 5.403 ( 1.040 0.000 -3.410) 3.565 5.791 ( -6.964 0.000 2.740) 7.484 5.848 ( -13.750 0.000 6.401) 15.167 6.111 ( 1.530 0.000 2.627) 3.040 6.222 ( 8.137 0.000 5.971) 10.093 6.605 ( 4.891 0.000 -3.364) 5.936 7.313 ( -1.955 0.000 11.055) 11.226 7.481 ( 1.852 0.000 -3.035) 3.555 7.787 ( -4.060 0.000 -0.455) 4.085 7.835 ( 19.261 0.000 15.040) 24.438 8.969 ( -3.254 0.000 31.884) 32.049 9.908 ( 3.865 0.000 -3.563) 5.257 10.725 ( -19.182 0.000 -13.652) 23.544 10.767 ( 3.225 0.000 -4.265) 5.347 11.044 ( 1.996 0.000 -7.711) 7.965 12.001 ( -5.937 0.000 -4.437) 7.412 13.198 ( -2.476 0.000 18.012) 18.181 13.591 ( -12.306 0.000 -22.879) 25.979 14.080 ( 14.017 0.000 -4.408) 14.694 14.748 ( 0.989 0.000 6.084) 6.164 15.490 ( -2.592 0.000 -0.313) 2.611 17.574 ( 21.774 0.000 -3.849) 22.112 18.366 ( -12.589 0.000 -10.402) 16.330 18.662 ( -5.700 0.000 0.718) 5.745 19.075 ( -3.215 0.000 0.835) 3.322 20.136 ( 16.031 0.000 21.425) 26.758 23.324 ( -6.659 0.000 -16.429) 17.727 24.105 ( -0.008 0.000 -10.849) 10.849 24.117 ( -2.444 0.000 -1.586) 2.913 ======================= Grid point 195 (87/260) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -22.560 0.000 9.976) 24.667 2.648 ( -23.887 0.000 12.570) 26.992 3.308 ( 2.222 0.000 -2.529) 3.366 3.640 ( 10.806 0.000 15.291) 18.724 3.771 ( -20.336 0.000 -13.314) 24.306 3.806 ( 9.506 0.000 0.083) 9.506 4.681 ( 3.783 0.000 -2.349) 4.453 5.242 ( -14.186 0.000 -7.665) 16.125 5.638 ( -9.040 0.000 2.390) 9.351 5.645 ( -7.727 0.000 12.500) 14.696 6.140 ( 0.750 0.000 3.318) 3.402 6.273 ( -3.985 0.000 6.623) 7.729 6.759 ( 9.074 0.000 0.899) 9.118 7.344 ( 2.113 0.000 14.119) 14.276 7.576 ( 7.028 0.000 -10.242) 12.421 7.777 ( 4.611 0.000 3.420) 5.741 8.243 ( 18.094 0.000 9.992) 20.670 8.968 ( -4.510 0.000 28.341) 28.697 9.889 ( -5.702 0.000 -2.276) 6.139 10.291 ( -21.541 0.000 -14.696) 26.076 10.780 ( -0.603 0.000 -5.717) 5.749 11.054 ( 0.623 0.000 -4.321) 4.366 11.847 ( -7.541 0.000 -5.895) 9.572 13.200 ( -18.900 0.000 -18.322) 26.323 13.225 ( 0.852 0.000 15.951) 15.974 14.426 ( 18.891 0.000 -8.073) 20.543 14.797 ( 2.268 0.000 7.281) 7.626 15.431 ( -2.719 0.000 -2.583) 3.750 17.940 ( 15.659 0.000 5.109) 16.472 18.099 ( -10.308 0.000 -14.706) 17.959 18.710 ( 8.692 0.000 2.372) 9.010 19.097 ( 5.640 0.000 0.336) 5.650 20.482 ( 13.806 0.000 23.958) 27.651 23.120 ( -9.905 0.000 -26.838) 28.607 24.019 ( -6.860 0.000 -2.604) 7.338 24.074 ( -0.804 0.000 -6.872) 6.919 ======================= Grid point 196 (88/260) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -24.278 0.000 9.993) 26.254 2.169 ( -27.506 0.000 16.417) 32.033 3.227 ( -31.328 0.000 2.847) 31.457 3.343 ( 3.057 0.000 -4.657) 5.571 3.828 ( 3.774 0.000 8.958) 9.720 3.965 ( 6.199 0.000 -6.269) 8.817 4.839 ( 11.479 0.000 5.910) 12.911 4.971 ( -9.231 0.000 -8.009) 12.221 5.457 ( -9.896 0.000 3.624) 10.539 5.531 ( -7.987 0.000 13.427) 15.623 6.138 ( -10.579 0.000 8.693) 13.693 6.164 ( 0.783 0.000 4.971) 5.033 6.915 ( 5.731 0.000 4.373) 7.209 7.451 ( 4.932 0.000 13.536) 14.407 7.634 ( 2.748 0.000 -13.646) 13.920 8.012 ( 16.534 0.000 0.412) 16.539 8.543 ( 9.838 0.000 0.611) 9.857 8.873 ( -12.365 0.000 14.683) 19.196 9.680 ( -14.424 0.000 -0.237) 14.426 9.858 ( -17.943 0.000 -2.530) 18.121 10.717 ( -4.203 0.000 -7.325) 8.445 11.058 ( 0.611 0.000 -2.664) 2.734 11.715 ( -3.466 0.000 -8.312) 9.006 12.813 ( -16.219 0.000 -15.673) 22.555 13.299 ( 2.899 0.000 16.637) 16.888 14.729 ( 13.116 0.000 -7.057) 14.894 14.861 ( 2.226 0.000 7.747) 8.060 15.390 ( 0.195 0.000 -7.147) 7.149 17.928 ( -3.351 0.000 -13.845) 14.245 18.262 ( 16.796 0.000 17.143) 23.999 18.954 ( 14.324 0.000 1.624) 14.416 19.278 ( 11.733 0.000 0.091) 11.733 20.781 ( 10.761 0.000 24.368) 26.639 22.770 ( -19.376 0.000 -40.674) 45.053 23.850 ( -9.245 0.000 -2.830) 9.669 24.049 ( -0.540 0.000 -3.287) 3.331 ======================= Grid point 197 (89/260) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -22.044 0.000 13.462) 25.829 1.672 ( -26.699 0.000 19.476) 33.048 2.634 ( -29.893 0.000 23.633) 38.107 3.428 ( 6.536 0.000 -0.442) 6.550 3.833 ( -4.059 0.000 5.099) 6.517 4.035 ( 3.924 0.000 -11.592) 12.238 4.866 ( -0.490 0.000 -7.447) 7.463 5.073 ( 5.542 0.000 6.902) 8.852 5.313 ( -1.893 0.000 7.968) 8.190 5.395 ( -8.551 0.000 15.088) 17.343 5.928 ( -12.619 0.000 10.810) 16.616 6.191 ( 0.433 0.000 5.814) 5.830 6.999 ( 1.591 0.000 5.948) 6.157 7.510 ( -7.201 0.000 3.540) 8.024 7.644 ( 1.510 0.000 -14.660) 14.737 8.357 ( 18.140 0.000 -4.027) 18.581 8.379 ( -22.214 0.000 -20.606) 30.300 8.740 ( -0.743 0.000 16.330) 16.347 9.370 ( -15.804 0.000 -0.756) 15.822 9.690 ( -0.673 0.000 19.633) 19.644 10.593 ( -6.553 0.000 -5.691) 8.679 11.060 ( 0.191 0.000 -3.852) 3.857 11.691 ( 3.204 0.000 -10.094) 10.590 12.504 ( -11.555 0.000 -13.945) 18.110 13.419 ( 5.539 0.000 17.648) 18.496 14.888 ( 4.300 0.000 -2.441) 4.945 14.911 ( 1.033 0.000 7.394) 7.466 15.420 ( 5.166 0.000 -13.995) 14.918 17.910 ( 4.234 0.000 -10.146) 10.994 18.769 ( 31.525 0.000 25.882) 40.789 19.232 ( 12.894 0.000 1.022) 12.934 19.521 ( 12.444 0.000 2.515) 12.696 21.001 ( 5.623 0.000 22.225) 22.925 22.101 ( -39.914 0.000 -52.679) 66.092 23.666 ( -8.346 0.000 -2.029) 8.589 24.036 ( -0.220 0.000 -1.665) 1.680 ======================= Grid point 198 (90/260) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -10.801 0.000 25.600) 27.786 1.251 ( -20.058 0.000 23.648) 31.009 2.269 ( -12.900 0.000 44.624) 46.451 3.596 ( 9.938 0.000 3.700) 10.604 3.741 ( -5.116 0.000 1.189) 5.253 4.091 ( 4.948 0.000 -12.395) 13.346 4.873 ( 2.076 0.000 -5.648) 6.017 4.994 ( -8.712 0.000 4.155) 9.652 5.326 ( 0.037 0.000 16.788) 16.788 5.483 ( 10.109 0.000 10.111) 14.297 5.709 ( -11.891 0.000 13.799) 18.216 6.191 ( -2.784 0.000 4.994) 5.717 6.852 ( -35.725 0.000 -10.470) 37.228 7.076 ( -8.787 0.000 8.593) 12.290 7.622 ( -0.202 0.000 -14.278) 14.279 8.179 ( 1.483 0.000 5.542) 5.737 8.663 ( 12.130 0.000 -5.445) 13.296 8.745 ( -1.791 0.000 13.012) 13.135 9.116 ( -7.119 0.000 -5.895) 9.243 9.902 ( 18.055 0.000 18.982) 26.197 10.451 ( -6.739 0.000 -1.085) 6.826 11.039 ( -1.126 0.000 -7.349) 7.435 11.774 ( 6.954 0.000 -11.413) 13.365 12.310 ( -4.682 0.000 -12.315) 13.175 13.611 ( 10.597 0.000 14.968) 18.340 14.915 ( -0.250 0.000 -0.847) 0.883 14.933 ( -0.370 0.000 6.273) 6.284 15.500 ( 5.877 0.000 -16.701) 17.705 18.036 ( 10.070 0.000 -4.862) 11.182 19.393 ( 8.697 0.000 -3.917) 9.539 19.438 ( 7.390 0.000 1.088) 7.470 19.807 ( 5.482 0.000 3.183) 6.339 21.074 ( -3.659 0.000 17.123) 17.509 21.112 ( -22.322 0.000 -20.269) 30.151 23.542 ( -3.376 0.000 -0.090) 3.377 24.028 ( -0.389 0.000 -1.917) 1.956 ======================= Grid point 199 (91/260) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 1.832 21.532 20.617) 29.867 1.418 ( 4.971 15.700 27.302) 31.884 2.443 ( 6.651 7.837 48.482) 49.559 3.731 ( -2.665 5.933 0.122) 6.505 3.833 ( 9.741 1.156 7.399) 12.287 4.187 ( 4.584 2.340 -12.228) 13.267 4.720 ( -1.603 -10.572 4.118) 11.458 4.889 ( -7.387 0.626 -1.749) 7.617 5.381 ( 3.840 -2.253 9.529) 10.518 5.641 ( -7.878 9.877 8.386) 15.164 5.828 ( 7.204 8.341 9.398) 14.484 6.165 ( 4.308 4.897 7.901) 10.245 6.415 ( -4.363 4.505 7.460) 9.746 7.048 ( -4.053 3.016 9.277) 10.564 7.728 ( 0.185 11.097 -16.580) 19.952 8.204 ( -1.855 -0.159 2.682) 3.265 8.699 ( -1.594 -0.842 6.101) 6.362 8.738 ( -5.895 0.415 2.839) 6.556 9.262 ( 12.120 7.328 -7.021) 15.808 10.212 ( 23.697 -10.743 9.274) 27.622 10.330 ( -7.246 -3.902 3.050) 8.777 11.328 ( 6.013 14.900 -16.457) 23.000 11.916 ( 4.772 8.390 -15.666) 18.401 12.299 ( 4.035 2.410 -8.620) 9.817 13.827 ( 13.889 -6.897 4.742) 16.216 14.813 ( -3.679 -4.662 -0.816) 5.994 15.004 ( 0.905 3.991 1.757) 4.454 15.482 ( 2.478 -6.911 -15.387) 17.049 17.373 ( -41.517 -41.070 22.166) 62.464 18.689 ( -29.417 11.918 -16.914) 35.965 19.492 ( 0.336 -2.075 1.184) 2.413 19.755 ( -0.290 3.629 -2.248) 4.278 20.925 ( -14.624 0.757 10.319) 17.914 21.786 ( 58.460 -18.721 5.289) 61.612 23.895 ( 7.479 21.458 -8.808) 24.371 24.043 ( -1.975 4.095 -2.985) 5.439 ======================= Grid point 200 (92/260) ======================= q-point: ( 0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 7.083 17.070 19.528) 26.887 1.767 ( 18.917 11.842 21.560) 31.031 2.841 ( 20.929 3.286 43.444) 48.334 3.685 ( -1.759 5.377 0.147) 5.660 4.008 ( 4.980 2.633 0.915) 5.707 4.251 ( 3.996 -1.757 -4.210) 6.065 4.707 ( -1.579 -11.007 2.733) 11.451 4.771 ( -2.447 -0.601 -0.072) 2.521 5.439 ( 0.808 0.736 8.542) 8.611 5.494 ( -5.450 15.413 6.218) 17.491 5.941 ( 2.320 6.019 8.225) 10.453 6.369 ( 2.060 1.080 3.414) 4.131 6.552 ( 20.193 6.339 5.547) 21.879 6.983 ( -4.754 2.929 8.652) 10.298 7.713 ( 1.647 10.310 -13.357) 16.953 8.098 ( -7.966 0.941 -2.393) 8.371 8.529 ( -9.737 2.440 -7.856) 12.747 8.778 ( 1.425 -4.167 20.533) 21.000 9.471 ( 8.593 5.672 -3.062) 10.742 10.225 ( -1.687 -4.811 -1.125) 5.221 10.679 ( 19.377 -9.268 1.015) 21.504 11.458 ( 11.233 10.209 -18.362) 23.824 11.917 ( -1.481 7.747 -13.692) 15.801 12.440 ( 12.230 2.208 -7.857) 14.703 14.039 ( 2.845 -10.847 3.462) 11.736 14.711 ( -6.669 -6.851 -1.745) 9.719 14.993 ( -2.439 6.262 -2.546) 7.186 15.475 ( 0.309 -7.729 -10.370) 12.937 16.458 ( -37.692 -9.332 26.891) 47.232 18.563 ( 8.028 -0.599 1.294) 8.154 19.441 ( -6.050 -1.265 0.345) 6.190 19.702 ( -4.863 2.945 -1.676) 5.927 20.558 ( -23.408 2.629 4.153) 23.919 22.787 ( 40.287 -29.508 -5.725) 50.265 23.970 ( -4.706 3.852 -4.543) 7.591 24.044 ( 8.803 17.379 -9.499) 21.674 ======================= Grid point 201 (93/260) ======================= q-point: ( 0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 16.187 7.663 16.030) 24.036 2.185 ( 18.567 8.392 19.203) 27.999 3.352 ( 18.344 -1.756 21.565) 28.367 3.665 ( 0.864 6.743 8.789) 11.112 4.011 ( -2.606 3.749 -8.976) 10.070 4.277 ( -3.820 1.046 5.925) 7.126 4.693 ( 1.465 -12.292 -0.866) 12.409 4.800 ( 4.158 -2.537 0.172) 4.874 5.435 ( 2.064 9.578 8.388) 12.898 5.574 ( 8.222 8.039 4.882) 12.493 5.967 ( -1.187 2.849 7.304) 7.929 6.390 ( -0.159 4.738 3.745) 6.041 6.871 ( 0.483 -2.314 -1.910) 3.039 6.951 ( 8.799 9.768 11.938) 17.758 7.711 ( 0.212 7.705 -10.473) 13.004 7.909 ( -10.116 3.452 -2.554) 10.989 8.318 ( -9.772 2.704 -7.069) 12.360 8.852 ( 0.558 -3.300 24.625) 24.851 9.563 ( 2.159 0.327 1.259) 2.520 10.289 ( 8.737 -3.148 -7.830) 12.147 10.956 ( 9.922 4.177 -3.049) 11.189 11.604 ( 1.946 -1.500 -15.048) 15.247 11.855 ( 3.090 9.317 -10.649) 14.483 12.721 ( 17.551 1.398 -7.418) 19.105 13.854 ( -21.692 -7.388 22.537) 32.141 14.586 ( -5.104 -8.729 -6.150) 11.835 14.907 ( -4.594 6.694 -7.004) 10.722 15.460 ( 0.082 -7.053 -3.083) 7.697 16.263 ( 9.179 -0.703 6.121) 11.055 18.800 ( 12.629 -8.693 9.980) 18.293 19.253 ( -12.965 -0.423 -0.219) 12.974 19.574 ( -7.004 2.153 -1.920) 7.575 20.074 ( -25.199 5.814 -0.033) 25.861 23.370 ( 22.656 -25.192 -6.192) 34.442 23.837 ( -7.379 2.920 -6.280) 10.120 24.168 ( 5.614 11.067 -8.325) 14.943 ======================= Grid point 202 (94/260) ======================= q-point: ( 0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( 20.271 0.893 12.171) 23.661 2.580 ( 17.443 6.446 17.092) 25.258 3.414 ( -8.887 0.078 4.714) 10.060 3.852 ( 2.297 -1.773 1.111) 3.107 3.941 ( 1.467 4.414 -4.053) 6.170 4.131 ( -9.205 8.147 12.906) 17.823 4.706 ( -0.517 -8.466 -2.381) 8.810 4.967 ( 13.284 -4.782 -4.244) 14.743 5.581 ( 9.661 3.883 7.351) 12.745 5.798 ( 12.536 7.330 5.051) 15.375 5.945 ( -2.025 1.648 6.583) 7.082 6.373 ( -2.625 5.551 3.196) 6.923 6.771 ( -6.761 0.123 -1.065) 6.845 7.176 ( 8.414 5.410 9.418) 13.739 7.657 ( -3.596 4.525 -5.306) 7.846 7.720 ( -8.203 9.278 1.394) 12.463 8.125 ( -8.231 4.324 -3.674) 9.997 8.904 ( -1.513 -2.485 26.993) 27.149 9.629 ( 5.553 -2.776 -0.976) 6.284 10.477 ( 11.064 -1.503 -7.741) 13.587 11.085 ( 4.706 11.637 -6.482) 14.127 11.427 ( -12.433 -0.731 -9.830) 15.866 12.007 ( 9.795 4.728 -8.530) 13.823 13.071 ( 18.943 -1.114 -6.700) 20.123 13.488 ( -18.245 -2.028 25.248) 31.216 14.414 ( -11.423 -9.489 -11.615) 18.853 14.808 ( -3.612 4.790 -2.814) 6.626 15.466 ( 0.452 -5.934 0.974) 6.030 16.631 ( 24.962 0.068 -6.451) 25.782 18.939 ( -14.265 -0.636 1.109) 14.322 19.017 ( -0.547 -11.274 6.989) 13.276 19.497 ( 2.233 3.455 4.796) 6.319 19.613 ( -20.437 7.372 -2.802) 21.906 23.649 ( -5.773 -2.711 -2.078) 6.708 23.718 ( 11.126 -14.829 -12.451) 22.332 24.223 ( 1.850 6.236 -6.152) 8.953 ======================= Grid point 203 (95/260) ======================= q-point: ( 0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 19.236 -3.206 8.259) 21.178 2.933 ( 12.805 6.579 12.325) 18.952 3.194 ( -12.073 -0.158 10.501) 16.002 3.737 ( -17.103 2.760 10.334) 20.172 3.773 ( -4.930 1.445 -11.952) 13.010 4.168 ( 2.641 4.919 -0.685) 5.625 4.676 ( -1.224 -4.567 -6.017) 7.652 5.239 ( 13.459 -4.298 -3.438) 14.541 5.794 ( 9.407 -2.170 2.208) 9.904 5.874 ( -3.445 -0.205 4.477) 5.653 6.079 ( 8.403 8.661 7.140) 14.022 6.299 ( -4.890 6.933 5.952) 10.363 6.629 ( -5.170 -0.260 -5.815) 7.786 7.304 ( 1.815 -1.471 9.294) 9.583 7.589 ( -3.041 6.208 -3.375) 7.693 7.628 ( -0.081 9.707 10.151) 14.046 8.005 ( -2.759 10.446 2.278) 11.042 8.920 ( -3.100 -3.293 27.716) 28.082 9.770 ( 8.430 -2.051 -4.161) 9.622 10.656 ( 8.263 -0.984 -4.389) 9.408 11.031 ( -11.873 1.928 -12.003) 16.993 11.232 ( -1.256 11.714 -4.921) 12.768 12.112 ( 1.889 4.129 -5.951) 7.486 13.207 ( -8.080 -4.394 19.781) 21.815 13.493 ( 17.212 -0.325 -9.763) 19.791 14.103 ( -15.735 -7.985 -11.799) 21.227 14.763 ( -1.025 2.821 2.410) 3.849 15.467 ( -0.915 -5.430 1.250) 5.647 17.135 ( 27.139 1.772 -8.646) 28.538 18.632 ( -14.263 0.294 -2.960) 14.570 18.896 ( -10.504 -2.739 -1.560) 10.966 19.254 ( -14.585 5.478 1.288) 15.633 19.735 ( 15.338 -2.990 15.182) 21.787 23.469 ( -8.618 -1.282 -10.200) 13.414 23.906 ( 8.266 -13.565 -8.765) 18.143 24.216 ( -1.286 3.520 -4.003) 5.483 ======================= Grid point 204 (96/260) ======================= q-point: (-0.50 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.752 ( -10.855 0.087 7.634) 13.271 2.873 ( -2.258 -0.915 4.997) 5.560 3.299 ( 4.554 0.709 12.178) 13.021 3.451 ( -4.434 4.674 10.627) 12.428 3.709 ( 0.282 0.310 -7.276) 7.289 4.116 ( -6.576 3.697 -8.302) 11.217 4.646 ( 0.128 -1.826 -6.308) 6.568 5.417 ( 4.275 -0.472 -4.300) 6.082 5.774 ( -6.105 -0.060 1.701) 6.338 5.880 ( -8.745 -0.010 0.720) 8.774 6.050 ( -1.487 1.971 6.718) 7.157 6.330 ( 1.752 5.451 7.295) 9.273 6.636 ( 6.891 2.798 -1.617) 7.612 7.320 ( -0.816 1.003 10.359) 10.439 7.565 ( 1.755 6.385 -3.430) 7.457 7.688 ( 2.448 -1.978 6.703) 7.405 8.082 ( 9.242 17.243 10.937) 22.413 8.916 ( -3.732 -4.847 26.829) 27.518 9.890 ( 3.736 -1.530 -5.262) 6.632 10.688 ( -17.656 -0.982 -13.593) 22.304 10.775 ( 3.890 0.319 -0.355) 3.919 11.242 ( 1.773 16.372 -5.391) 17.328 12.053 ( -6.009 4.330 -5.103) 8.995 13.128 ( -4.174 -5.849 15.419) 17.011 13.574 ( -11.958 -1.896 -19.506) 22.958 14.009 ( 14.175 -6.869 -3.356) 16.105 14.776 ( 1.466 2.721 4.513) 5.470 15.433 ( -2.587 -5.284 0.070) 5.883 17.625 ( 23.921 4.714 -5.091) 24.907 18.360 ( -12.801 -0.487 -9.913) 16.198 18.716 ( -5.769 5.104 0.713) 7.736 19.065 ( -4.266 -0.918 1.306) 4.555 20.093 ( 16.150 -4.117 21.092) 26.882 23.261 ( -9.812 -5.854 -17.131) 20.592 24.003 ( 3.908 -8.522 -8.083) 12.378 24.160 ( -3.410 2.962 -2.540) 5.182 ======================= Grid point 205 (97/260) ======================= q-point: (-0.40 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -21.785 3.537 10.806) 24.574 2.665 ( -22.080 0.702 8.516) 23.676 3.291 ( 1.493 -1.579 -3.676) 4.270 3.638 ( 6.200 -3.207 -2.482) 7.409 3.693 ( -5.060 -0.059 7.502) 9.049 3.971 ( 0.076 10.128 -4.400) 11.043 4.680 ( 5.206 0.805 -1.787) 5.563 5.319 ( -13.010 6.498 -6.574) 15.960 5.643 ( -7.255 3.899 5.806) 10.078 5.665 ( -8.807 -3.153 5.188) 10.696 6.085 ( 0.936 -1.765 2.322) 3.064 6.327 ( -3.677 3.838 8.124) 9.708 6.800 ( 8.021 3.516 2.731) 9.173 7.368 ( 3.479 2.590 11.606) 12.390 7.599 ( 2.042 0.812 -7.179) 7.508 7.800 ( 8.559 2.112 4.817) 10.046 8.343 ( 12.772 10.200 9.865) 19.091 8.892 ( -4.878 -6.272 22.417) 23.783 9.858 ( -6.207 -2.719 -3.529) 7.640 10.286 ( -19.781 0.809 -11.576) 22.933 10.817 ( 0.183 2.696 -1.165) 2.943 11.268 ( 2.242 18.880 -5.198) 19.710 11.890 ( -8.258 3.610 -6.458) 11.087 13.042 ( -10.114 -9.380 -0.519) 13.804 13.293 ( -7.538 1.326 -1.556) 7.810 14.346 ( 18.211 -7.483 -5.833) 20.534 14.833 ( 2.993 3.236 4.542) 6.330 15.376 ( -2.725 -5.127 -1.815) 6.083 18.001 ( 6.714 5.172 2.637) 8.875 18.111 ( -1.404 1.905 -12.645) 12.865 18.704 ( 4.622 -0.793 2.110) 5.143 19.111 ( 8.211 1.447 0.646) 8.363 20.448 ( 14.471 -3.398 23.816) 28.074 22.980 ( -14.520 -12.458 -26.538) 32.715 24.023 ( -1.220 -2.799 -3.398) 4.568 24.088 ( -1.930 3.887 -5.028) 6.641 ======================= Grid point 206 (98/260) ======================= q-point: (-0.30 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -22.046 6.242 11.587) 25.676 2.182 ( -27.738 1.284 11.837) 30.185 3.294 ( -24.688 5.127 1.143) 25.241 3.326 ( 2.961 -1.625 -4.232) 5.415 3.816 ( 4.362 -0.446 6.607) 7.930 4.072 ( 6.015 9.151 -4.670) 11.905 4.846 ( 9.367 0.827 4.828) 10.570 5.032 ( -10.640 5.865 -4.168) 12.845 5.501 ( -8.410 5.292 4.076) 10.740 5.536 ( -7.073 -1.865 8.907) 11.525 6.075 ( -3.435 -2.208 3.698) 5.509 6.250 ( -4.750 5.561 9.245) 11.788 6.934 ( 4.387 1.636 5.040) 6.879 7.484 ( 3.658 1.468 9.027) 9.850 7.625 ( 3.401 0.169 -5.226) 6.238 8.009 ( 10.422 -1.579 -1.376) 10.630 8.565 ( 7.256 3.540 0.380) 8.082 8.811 ( -7.417 -3.669 13.007) 15.416 9.651 ( -13.326 -2.629 -0.742) 13.603 9.896 ( -16.970 3.804 -0.817) 17.410 10.770 ( -4.382 3.575 -2.847) 6.331 11.303 ( 2.173 21.610 -6.529) 22.679 11.742 ( -3.982 2.465 -8.004) 9.273 12.756 ( -14.161 -4.765 -12.090) 19.220 13.281 ( 1.830 -1.886 12.928) 13.193 14.655 ( 13.866 -6.720 -3.992) 15.917 14.897 ( 2.130 2.718 3.403) 4.848 15.336 ( 0.126 -4.893 -5.789) 7.580 17.827 ( -8.931 -6.771 -5.691) 12.569 18.379 ( 16.840 8.145 8.349) 20.485 18.900 ( 13.713 -3.905 0.271) 14.261 19.340 ( 13.619 5.027 0.942) 14.548 20.760 ( 11.414 -2.047 24.345) 26.966 22.537 ( -24.296 -19.201 -36.380) 47.776 23.943 ( -4.743 5.690 -3.127) 8.040 24.075 ( 0.652 3.134 -4.567) 5.577 ======================= Grid point 207 (99/260) ======================= q-point: (-0.20 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -21.686 8.688 11.142) 25.883 1.717 ( -21.099 5.666 21.802) 30.864 2.797 ( -26.345 13.413 18.561) 34.907 3.417 ( 6.785 -1.326 0.338) 6.921 3.867 ( -0.108 3.119 3.074) 4.380 4.122 ( 1.411 8.534 -9.997) 13.220 4.820 ( -4.835 -3.887 -1.296) 6.337 5.092 ( 5.088 1.904 3.405) 6.411 5.344 ( -8.684 2.671 10.736) 14.065 5.467 ( 0.927 5.619 7.647) 9.534 5.951 ( -9.623 2.123 7.804) 12.570 6.223 ( -0.647 3.736 7.882) 8.747 6.982 ( -1.522 -2.389 4.477) 5.298 7.410 ( -14.187 -6.539 1.518) 15.695 7.748 ( 7.126 7.697 -3.691) 11.120 8.095 ( -0.778 -10.336 -10.275) 14.595 8.621 ( 4.516 9.690 -10.221) 14.791 8.752 ( -1.341 1.308 13.086) 13.219 9.373 ( -14.029 0.125 -0.595) 14.042 9.696 ( -4.068 1.736 15.808) 16.415 10.645 ( -7.436 2.756 -1.799) 8.132 11.303 ( 0.065 18.467 -10.203) 21.098 11.729 ( 4.429 5.776 -9.384) 11.876 12.485 ( -10.148 -1.259 -12.077) 15.825 13.385 ( 5.329 -3.217 15.361) 16.574 14.853 ( 6.443 -3.424 -0.910) 7.352 14.922 ( -0.053 0.626 4.110) 4.158 15.366 ( 4.846 -4.992 -12.785) 14.555 17.699 ( -3.472 -16.692 0.153) 17.050 18.830 ( 26.900 1.815 14.104) 30.427 19.179 ( 13.689 -1.462 -1.186) 13.818 19.613 ( 13.480 6.624 3.615) 15.448 20.987 ( 5.414 -1.319 21.719) 22.423 21.824 ( -39.317 -20.852 -41.481) 60.838 23.852 ( -2.930 12.312 -5.937) 13.979 24.077 ( 0.287 4.305 -2.634) 5.055 ======================= Grid point 208 (100/260) ======================= q-point: (-0.10 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -9.341 12.937 22.422) 27.520 1.471 ( -10.584 15.203 24.907) 31.040 2.427 ( -15.288 14.238 36.281) 41.866 3.592 ( 10.065 -1.110 5.953) 11.746 3.827 ( -4.113 8.217 1.267) 9.276 4.134 ( 3.416 4.689 -13.566) 14.755 4.754 ( -2.529 -8.849 1.838) 9.385 5.041 ( -7.491 2.990 -0.547) 8.084 5.280 ( 0.312 -1.673 13.270) 13.379 5.627 ( 10.220 9.527 9.383) 16.830 5.776 ( -9.544 6.000 10.147) 15.168 6.220 ( -2.721 3.443 7.006) 8.267 6.725 ( -26.347 -8.335 -2.022) 27.708 7.119 ( -7.536 3.992 9.391) 12.686 7.775 ( -0.089 10.723 -19.371) 22.141 8.142 ( 5.660 -2.452 5.843) 8.497 8.694 ( -0.253 0.366 4.741) 4.762 8.796 ( 3.530 5.682 1.105) 6.780 9.161 ( -4.055 4.050 -4.998) 7.604 9.810 ( 11.671 -4.621 17.919) 21.878 10.486 ( -8.453 0.547 1.484) 8.600 11.288 ( 1.815 14.805 -13.142) 19.879 11.827 ( 7.118 8.819 -13.194) 17.393 12.319 ( -3.725 1.343 -10.546) 11.265 13.565 ( 9.878 -4.132 13.134) 16.945 14.873 ( -2.173 -2.665 -0.455) 3.468 14.966 ( 2.212 1.358 4.547) 5.236 15.440 ( 5.438 -5.767 -16.628) 18.421 17.666 ( -2.969 -30.363 8.526) 31.676 19.270 ( 3.567 -11.742 -4.939) 13.228 19.431 ( 10.312 2.773 -2.364) 10.937 19.829 ( -1.315 1.300 -1.503) 2.383 20.955 ( -5.555 -5.631 0.426) 7.922 21.144 ( -6.548 0.093 5.460) 8.526 23.821 ( 1.775 18.603 -7.634) 20.187 24.071 ( -0.430 4.571 -2.225) 5.102 ======================= Grid point 209 (101/260) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 5.891 22.399 17.028) 28.747 1.809 ( 1.632 20.412 22.826) 30.665 2.673 ( 1.076 13.329 31.531) 34.250 3.724 ( 8.509 -6.529 12.118) 16.182 4.004 ( -4.716 15.976 1.389) 16.716 4.264 ( 0.480 1.343 -6.305) 6.464 4.506 ( -1.108 -7.018 0.825) 7.153 4.941 ( -7.582 4.167 -1.129) 8.725 5.353 ( 4.922 -0.446 7.678) 9.131 5.831 ( -0.958 8.128 6.825) 10.657 5.982 ( 4.810 3.746 1.076) 6.190 6.272 ( -0.001 6.514 5.771) 8.703 6.530 ( 1.968 5.216 7.625) 9.445 7.180 ( -3.085 10.099 12.216) 16.147 7.953 ( 0.445 9.801 -16.488) 19.186 8.204 ( -0.326 0.286 5.020) 5.039 8.670 ( 0.669 -0.139 10.768) 10.789 8.801 ( -9.190 4.180 -2.085) 10.309 9.421 ( 11.805 7.448 -4.952) 14.811 10.079 ( 15.677 -1.975 14.127) 21.196 10.249 ( -6.513 -4.241 3.034) 8.343 11.320 ( 3.551 -11.141 -8.661) 14.551 12.236 ( 0.583 16.018 -11.485) 19.719 12.414 ( 5.576 10.187 -12.279) 16.901 13.673 ( 9.977 -7.000 2.227) 12.389 14.720 ( -5.476 -4.537 -2.835) 7.656 15.046 ( 4.685 -2.439 1.064) 5.388 15.291 ( -0.118 -9.205 -15.740) 18.234 16.674 ( -26.326 -26.283 24.408) 44.492 18.800 ( -19.713 0.849 -24.280) 31.287 19.449 ( -0.480 -1.860 1.011) 2.170 19.838 ( 0.356 3.995 -5.229) 6.590 20.947 ( -12.513 1.327 10.898) 16.646 21.468 ( 38.410 -12.251 9.594) 41.442 24.114 ( 0.694 5.132 -2.924) 5.947 24.247 ( 2.605 9.970 -8.225) 13.185 ======================= Grid point 210 (102/260) ======================= q-point: ( 0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 0.697 21.030 15.408) 26.080 2.066 ( 13.292 16.111 19.697) 28.709 2.936 ( 16.019 5.553 29.451) 33.982 3.858 ( 1.530 5.998 4.343) 7.561 3.992 ( 3.740 1.448 9.592) 10.397 4.247 ( -0.360 -1.207 -6.942) 7.055 4.477 ( -2.886 -8.430 1.764) 9.083 4.835 ( -2.224 6.127 -3.609) 7.451 5.459 ( 3.882 1.344 8.621) 9.550 5.819 ( -0.714 15.216 3.279) 15.581 6.034 ( 0.100 0.885 3.175) 3.297 6.374 ( 5.977 1.843 0.903) 6.319 6.667 ( 9.290 1.542 6.071) 11.204 7.163 ( -1.261 14.812 14.542) 20.796 7.907 ( -1.757 6.332 -12.917) 14.492 8.176 ( -2.525 7.302 0.769) 7.765 8.603 ( -9.645 4.789 -4.057) 11.507 8.724 ( 1.346 0.341 16.387) 16.446 9.577 ( 1.928 3.687 -0.251) 4.168 10.082 ( 1.446 -7.308 -6.848) 10.119 10.622 ( 25.155 1.802 15.375) 29.536 11.408 ( 6.727 -11.333 -8.425) 15.642 12.173 ( -3.938 13.027 -11.486) 17.808 12.556 ( 11.303 9.062 -10.504) 17.894 13.808 ( 1.345 -9.998 2.497) 10.393 14.578 ( -8.047 -6.230 -4.783) 11.245 15.108 ( 0.129 4.494 -2.846) 5.321 15.236 ( -0.615 -14.843 -9.921) 17.864 16.251 ( -16.480 -9.746 20.237) 27.858 18.535 ( -2.064 -1.907 -10.301) 10.677 19.411 ( -4.779 -1.524 -0.195) 5.020 19.773 ( -5.759 3.638 -4.398) 8.108 20.628 ( -20.435 3.957 6.209) 21.720 22.249 ( 36.143 -22.433 3.383) 42.673 24.062 ( -5.009 5.041 -3.149) 7.773 24.290 ( 3.033 6.987 -7.808) 10.908 ======================= Grid point 211 (103/260) ======================= q-point: ( 0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 7.253 14.783 13.278) 21.153 2.390 ( 14.902 10.842 18.627) 26.203 3.306 ( 13.073 -2.254 14.076) 19.343 3.879 ( 0.253 12.150 4.913) 13.109 4.049 ( -1.742 -1.597 1.631) 2.872 4.278 ( 5.075 -0.121 0.347) 5.089 4.413 ( -2.917 -12.755 3.993) 13.680 4.825 ( 2.129 4.702 -8.342) 9.809 5.562 ( 4.977 4.515 9.143) 11.347 5.856 ( 4.477 16.554 1.615) 17.224 6.015 ( -2.442 0.674 5.511) 6.065 6.449 ( 1.802 1.462 0.302) 2.340 6.803 ( 1.573 -4.364 0.663) 4.686 7.222 ( 3.217 14.549 15.364) 21.403 7.831 ( -3.025 4.000 -8.003) 9.445 8.115 ( -3.664 15.507 -0.744) 15.951 8.414 ( -8.432 7.282 -2.575) 11.435 8.800 ( 1.646 -0.964 20.451) 20.540 9.522 ( -3.724 -4.597 0.405) 5.930 10.225 ( 12.385 -2.333 -10.787) 16.589 11.100 ( 18.784 8.569 13.735) 24.798 11.496 ( 2.363 -8.814 -10.412) 13.845 12.068 ( -2.219 10.568 -10.021) 14.732 12.792 ( 14.377 5.220 -7.327) 16.960 13.696 ( -13.394 -6.879 12.483) 19.558 14.401 ( -8.463 -9.298 -7.813) 14.803 15.016 ( -5.774 2.835 -9.514) 11.485 15.261 ( 2.597 -10.735 1.144) 11.104 16.242 ( 11.792 -1.261 4.483) 12.678 18.602 ( 7.893 -9.619 -0.523) 12.454 19.244 ( -12.219 -0.502 -0.481) 12.238 19.618 ( -7.906 1.950 -4.630) 9.367 20.222 ( -21.412 8.032 4.716) 23.350 22.858 ( 25.873 -23.849 -0.793) 35.197 23.915 ( -8.790 4.304 -5.395) 11.176 24.315 ( 1.008 3.854 -5.662) 6.923 ======================= Grid point 212 (104/260) ======================= q-point: ( 0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 13.423 6.594 10.297) 18.157 2.729 ( 15.459 7.621 16.445) 23.822 3.425 ( -2.756 0.287 2.701) 3.870 3.821 ( -6.573 -0.601 -0.495) 6.619 4.002 ( -5.234 -1.090 0.924) 5.425 4.291 ( -2.045 5.858 6.762) 9.178 4.511 ( 9.350 -7.280 -3.049) 12.236 4.885 ( 7.146 -2.177 -10.662) 13.019 5.705 ( 7.442 6.267 7.088) 12.037 5.938 ( -0.969 5.501 1.498) 5.783 6.051 ( 8.625 8.983 8.833) 15.268 6.456 ( -1.139 2.656 1.640) 3.323 6.747 ( -6.093 -2.767 -1.614) 6.883 7.285 ( -0.998 4.623 12.744) 13.593 7.770 ( -1.955 5.940 -3.318) 7.079 8.025 ( -6.182 18.433 1.124) 19.475 8.294 ( -2.435 13.063 3.084) 13.641 8.850 ( -2.066 -2.490 21.558) 21.799 9.539 ( 6.555 -5.420 -3.283) 9.117 10.446 ( 11.682 -1.501 -8.372) 14.450 11.380 ( -10.950 -1.088 -12.791) 16.873 11.402 ( 9.510 14.424 9.723) 19.825 12.100 ( 6.165 4.271 -5.838) 9.504 13.064 ( 13.503 0.306 -3.270) 13.897 13.443 ( -12.828 -1.821 14.955) 19.787 14.184 ( -12.034 -12.515 -11.044) 20.577 14.893 ( -4.336 2.979 -5.137) 7.352 15.309 ( 1.507 -8.351 2.395) 8.818 16.639 ( 26.586 0.737 -6.493) 27.377 18.760 ( 6.021 -11.559 0.892) 13.063 18.955 ( -15.908 0.440 -0.437) 15.920 19.503 ( -1.327 -0.971 -1.617) 2.306 19.825 ( -20.199 11.284 6.322) 23.985 23.280 ( 18.207 -21.277 -2.487) 28.114 23.699 ( -11.375 1.706 -8.841) 14.507 24.306 ( -0.680 2.260 -3.958) 4.608 ======================= Grid point 213 (105/260) ======================= q-point: ( 0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.482 ( 14.859 -0.176 6.869) 16.371 3.062 ( 14.094 5.258 13.483) 20.201 3.255 ( -13.434 5.869 3.215) 15.008 3.679 ( -8.830 -6.699 1.033) 11.132 3.813 ( -10.574 0.070 -2.004) 10.762 4.276 ( -1.139 3.634 -5.655) 6.818 4.623 ( 3.167 1.464 -6.277) 7.181 5.075 ( 13.188 -10.691 -9.099) 19.262 5.846 ( 3.037 6.272 -1.374) 7.102 5.917 ( 1.109 3.005 8.845) 9.407 6.264 ( 5.705 9.277 7.943) 13.479 6.408 ( -4.154 4.092 6.948) 9.070 6.617 ( -2.920 -0.739 -4.324) 5.270 7.278 ( -1.404 -0.968 13.326) 13.434 7.721 ( -2.351 5.828 -2.454) 6.746 7.881 ( -7.828 14.440 2.856) 16.672 8.350 ( 5.430 21.813 10.013) 24.607 8.832 ( -4.002 -4.555 20.128) 21.021 9.719 ( 10.777 -2.542 -5.680) 12.445 10.633 ( 8.872 -1.305 -3.270) 9.545 11.069 ( -16.449 1.134 -12.596) 20.749 11.550 ( 4.722 18.400 4.808) 19.595 12.184 ( 1.805 2.192 -4.003) 4.908 13.139 ( -7.546 -1.417 13.977) 15.947 13.455 ( 12.935 -3.797 -4.799) 14.310 13.884 ( -14.945 -12.604 -11.264) 22.563 14.836 ( -0.804 3.974 -0.646) 4.105 15.322 ( -0.694 -7.948 1.775) 8.174 17.188 ( 30.359 3.428 -9.634) 32.035 18.634 ( -14.623 -0.360 -4.967) 15.448 18.829 ( 1.188 -3.385 -0.814) 3.678 19.390 ( -18.524 6.575 0.176) 19.657 19.666 ( 8.965 -2.682 15.915) 18.462 23.429 ( -13.573 -3.427 -13.903) 19.730 23.578 ( 13.128 -16.640 -2.537) 21.346 24.273 ( -1.767 2.206 -3.100) 4.195 ======================= Grid point 214 (106/260) ======================= q-point: (-0.50 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 5.080 -2.791 4.374) 7.261 2.929 ( -17.545 6.310 6.576) 19.771 3.331 ( 2.779 1.858 4.508) 5.613 3.461 ( -4.981 -4.132 2.321) 6.876 3.700 ( -1.463 -0.717 -1.209) 2.029 4.209 ( -3.041 4.637 -10.026) 11.457 4.655 ( 2.854 2.958 -6.710) 7.869 5.286 ( 9.427 -12.272 -9.624) 18.224 5.804 ( -5.285 5.169 0.652) 7.421 5.974 ( -3.745 6.811 1.112) 7.851 6.133 ( -9.268 4.739 9.779) 14.282 6.424 ( -0.302 4.283 7.911) 9.001 6.709 ( 9.382 4.240 2.588) 10.616 7.315 ( 1.886 -2.306 12.128) 12.488 7.676 ( -2.307 4.715 0.286) 5.257 7.782 ( -1.373 9.802 1.462) 10.005 8.502 ( 6.572 22.037 11.928) 25.905 8.801 ( -3.661 -4.715 18.799) 19.724 9.855 ( 3.123 -1.794 -7.284) 8.126 10.706 ( -17.408 2.119 -11.339) 20.883 10.784 ( 6.613 0.582 1.551) 6.817 11.636 ( 3.833 20.946 1.575) 21.352 12.128 ( -6.182 1.780 -4.775) 8.012 13.016 ( -7.445 -3.680 11.033) 13.810 13.506 ( -11.897 -4.744 -14.545) 19.380 13.805 ( 14.551 -12.782 -1.350) 19.415 14.853 ( 2.293 4.518 0.876) 5.142 15.293 ( -2.388 -7.657 0.889) 8.070 17.754 ( 28.849 7.442 -7.756) 30.786 18.350 ( -12.710 -0.383 -8.997) 15.577 18.853 ( -2.910 7.535 0.111) 8.078 19.045 ( -9.795 -0.483 3.043) 10.268 19.974 ( 15.870 -7.315 20.393) 26.855 23.096 ( -16.746 -10.091 -19.737) 27.781 23.792 ( 9.469 -10.750 -1.874) 14.448 24.225 ( -2.226 3.044 -3.434) 5.100 ======================= Grid point 215 (107/260) ======================= q-point: (-0.40 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( -19.045 9.786 9.568) 23.452 2.654 ( -18.004 -1.694 4.114) 18.546 3.250 ( -0.322 -2.231 -5.682) 6.113 3.527 ( 0.127 -6.481 -9.252) 11.297 3.719 ( 1.949 0.939 12.909) 13.089 4.179 ( 3.932 9.874 -8.008) 13.307 4.735 ( 6.718 3.958 -2.696) 8.250 5.383 ( 2.583 -8.462 -8.748) 12.442 5.566 ( -18.953 2.838 3.822) 19.542 5.814 ( -7.045 12.177 4.950) 14.913 6.102 ( -0.931 1.736 3.119) 3.689 6.419 ( -2.154 4.986 9.776) 11.184 6.885 ( 6.631 4.639 5.979) 10.062 7.389 ( 2.727 -2.958 8.075) 9.022 7.637 ( -1.027 4.828 4.604) 6.749 7.842 ( 5.936 1.536 -2.790) 6.736 8.639 ( 4.743 15.376 7.753) 17.862 8.781 ( -2.425 -1.055 17.531) 17.729 9.791 ( -7.532 -3.644 -5.404) 9.960 10.345 ( -17.080 4.648 -6.996) 19.034 10.878 ( 1.799 3.112 1.236) 3.801 11.724 ( 4.945 23.371 -1.829) 23.959 11.951 ( -9.350 1.307 -5.543) 10.948 12.874 ( -9.162 -5.517 1.460) 10.794 13.276 ( -7.083 -2.682 -4.106) 8.615 14.127 ( 17.414 -13.759 -2.871) 22.379 14.912 ( 2.934 3.823 0.027) 4.819 15.245 ( -2.263 -6.723 -0.008) 7.094 18.071 ( -14.795 1.663 -7.587) 16.710 18.250 ( 20.869 11.372 -3.878) 24.081 18.665 ( -4.665 -3.194 1.689) 5.901 19.162 ( 12.926 3.468 1.634) 13.483 20.344 ( 16.238 -6.632 23.485) 29.312 22.670 ( -21.721 -16.483 -25.887) 37.599 23.941 ( 5.893 -4.333 -0.576) 7.337 24.177 ( -1.335 3.939 -5.199) 6.658 ======================= Grid point 216 (108/260) ======================= q-point: (-0.30 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -18.711 12.541 9.380) 24.400 2.234 ( -22.755 4.463 8.512) 24.702 3.274 ( 3.102 -3.436 -3.744) 5.954 3.368 ( -12.996 0.734 -1.701) 13.127 3.825 ( 5.920 1.648 5.429) 8.200 4.294 ( 7.065 11.408 -6.483) 14.902 4.876 ( 4.244 1.954 3.653) 5.930 5.191 ( -14.383 8.259 2.020) 16.708 5.398 ( -1.025 -10.411 -0.748) 10.488 5.690 ( -7.080 12.710 5.285) 15.479 6.067 ( -2.957 0.526 0.136) 3.006 6.386 ( -3.446 7.051 11.241) 13.709 6.977 ( 0.646 2.601 6.871) 7.375 7.409 ( -3.199 -7.830 4.443) 9.554 7.708 ( 7.111 6.556 8.166) 12.658 7.935 ( 4.100 -4.372 -9.305) 11.068 8.727 ( 4.222 9.034 -0.531) 9.986 8.782 ( -2.113 3.392 15.205) 15.721 9.585 ( -11.442 -3.610 -1.410) 12.081 10.016 ( -15.222 7.885 1.355) 17.196 10.842 ( -5.311 3.363 -0.874) 6.347 11.665 ( -9.711 2.643 -11.052) 14.948 11.918 ( 7.316 21.815 -1.144) 23.038 12.675 ( -9.460 -1.333 -7.506) 12.150 13.219 ( 0.411 -4.027 6.028) 7.261 14.454 ( 16.214 -13.076 -2.835) 21.022 14.943 ( -0.113 0.767 -1.069) 1.321 15.224 ( 0.713 -4.653 -2.468) 5.315 17.721 ( -19.013 -3.033 -0.317) 19.256 18.482 ( 9.080 -0.377 0.644) 9.111 18.875 ( 19.902 3.583 -1.850) 20.307 19.451 ( 15.143 5.284 2.083) 16.173 20.698 ( 13.658 -3.962 24.404) 28.246 22.113 ( -28.724 -20.143 -30.736) 46.643 24.012 ( 1.543 1.844 -0.991) 2.600 24.167 ( 1.905 4.364 -6.291) 7.890 ======================= Grid point 217 (109/260) ======================= q-point: (-0.20 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -16.250 14.288 9.582) 23.665 1.934 ( -13.103 14.800 19.637) 27.863 3.062 ( -17.831 10.094 9.822) 22.722 3.363 ( 6.118 -4.067 2.346) 7.712 3.958 ( 6.659 5.833 0.466) 8.865 4.361 ( 0.739 13.358 -8.639) 15.925 4.738 ( -13.517 -3.176 8.124) 16.087 5.146 ( 2.670 2.986 -1.454) 4.261 5.351 ( -5.544 -2.984 6.005) 8.701 5.628 ( 2.353 10.576 6.249) 12.507 5.992 ( -4.347 0.902 -1.106) 4.576 6.352 ( -2.460 7.744 11.808) 14.334 6.899 ( -11.200 -4.214 3.824) 12.563 7.305 ( -6.942 -3.148 7.185) 10.475 7.915 ( 10.831 6.371 8.239) 15.027 7.963 ( 2.612 -1.947 -16.422) 16.742 8.741 ( -4.896 1.343 10.533) 11.693 8.833 ( 6.887 7.732 -4.087) 11.132 9.369 ( -9.796 -0.501 0.323) 9.814 9.796 ( -7.655 8.314 11.714) 16.277 10.684 ( -10.039 1.361 -0.858) 10.167 11.454 ( -7.921 -4.090 -11.343) 14.427 12.077 ( 8.547 24.223 -6.104) 26.402 12.497 ( -6.138 3.829 -10.773) 12.976 13.298 ( 5.431 -4.929 9.442) 11.956 14.729 ( 11.637 -9.691 -1.580) 15.226 14.908 ( -2.506 -2.794 -0.969) 3.877 15.255 ( 3.256 -4.037 -8.010) 9.542 17.365 ( -17.729 -13.964 8.247) 24.028 18.750 ( 17.458 -8.021 -0.812) 19.230 19.254 ( 18.017 7.282 -2.062) 19.541 19.733 ( 12.245 4.418 2.700) 13.295 20.955 ( 5.363 -1.535 20.562) 21.305 21.426 ( -31.521 -16.399 -27.488) 44.923 24.028 ( 1.569 5.481 -3.976) 6.950 24.203 ( 2.461 6.192 -5.212) 8.460 ======================= Grid point 218 (110/260) ======================= q-point: (-0.10 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -1.848 22.796 18.796) 29.603 1.802 ( -5.188 16.855 22.440) 28.541 2.763 ( -14.619 15.856 20.920) 30.046 3.524 ( 8.683 -5.560 9.244) 13.848 4.057 ( 1.731 13.072 0.059) 13.186 4.294 ( -3.178 10.687 -9.028) 14.347 4.560 ( -5.920 -9.111 5.551) 12.201 5.101 ( -7.028 2.623 -1.960) 7.753 5.278 ( -0.577 1.152 7.849) 7.954 5.777 ( 6.805 5.584 11.520) 14.498 5.915 ( -1.384 4.659 -3.622) 6.062 6.331 ( -3.601 6.002 10.463) 12.588 6.613 ( -13.515 -0.880 3.115) 13.897 7.221 ( -3.992 5.658 10.584) 12.648 7.968 ( 2.120 6.732 -18.875) 20.152 8.126 ( 7.135 2.309 8.565) 11.384 8.669 ( -3.296 -2.340 7.404) 8.436 8.923 ( -0.360 5.521 -0.516) 5.557 9.260 ( 2.043 5.063 -3.957) 6.743 9.801 ( 5.298 4.319 17.058) 18.377 10.464 ( -11.978 -2.090 0.633) 12.176 11.327 ( -2.233 -8.469 -10.217) 13.457 12.199 ( 5.551 21.015 -10.472) 24.127 12.398 ( -0.981 7.730 -11.759) 14.106 13.465 ( 9.256 -5.007 7.423) 12.878 14.812 ( -3.211 -3.152 -1.334) 4.693 14.936 ( 6.251 -6.683 0.271) 9.154 15.295 ( 2.959 -6.195 -13.686) 15.311 17.054 ( -18.138 -25.551 17.414) 35.848 19.038 ( 7.896 -10.413 -11.979) 17.728 19.497 ( 2.865 3.370 -5.181) 6.812 19.849 ( -1.865 0.594 -6.136) 6.441 20.881 ( 2.556 -1.973 3.158) 4.516 21.131 ( -2.491 -1.044 11.997) 12.297 24.069 ( 3.541 6.585 -4.928) 8.955 24.229 ( 1.456 8.585 -5.669) 10.390 ======================= Grid point 219 (111/260) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( 2.209 16.001 15.789) 22.587 2.270 ( 3.469 22.231 18.517) 29.140 2.909 ( -0.834 7.896 15.352) 17.284 3.552 ( 7.551 -9.502 15.075) 19.354 4.101 ( -7.511 -11.836 12.281) 18.637 4.416 ( -3.711 21.361 -0.025) 21.681 4.542 ( -0.882 6.767 -11.075) 13.008 5.036 ( -5.025 4.585 0.166) 6.805 5.365 ( 4.680 1.560 5.081) 7.082 5.859 ( 4.224 -8.899 -5.064) 11.076 6.032 ( 3.350 5.692 7.657) 10.112 6.406 ( 0.924 3.005 6.597) 7.308 6.621 ( -1.771 5.528 1.492) 5.993 7.429 ( 2.064 12.807 14.730) 19.628 8.095 ( 0.915 2.681 -10.175) 10.562 8.207 ( -3.233 0.175 7.182) 7.878 8.732 ( 7.826 6.619 7.106) 12.472 8.891 ( -7.318 4.578 2.120) 8.889 9.547 ( 11.567 4.425 -3.937) 12.995 10.070 ( -11.242 -2.480 0.430) 11.520 10.208 ( 12.293 3.425 15.867) 20.362 11.014 ( 1.711 -16.996 -2.240) 17.228 12.496 ( -1.677 11.710 -1.649) 11.944 12.664 ( 3.200 10.780 -12.221) 16.608 13.571 ( 8.201 -2.468 -3.641) 9.306 14.598 ( -5.668 -9.913 -7.413) 13.614 14.822 ( 5.515 -13.114 -2.324) 14.415 15.235 ( -0.307 1.149 -10.084) 10.153 16.281 ( -18.225 -12.868 18.522) 28.997 18.781 ( -12.249 -1.811 -29.291) 31.801 19.421 ( -2.211 -0.902 0.801) 2.519 19.909 ( 1.465 2.848 -8.206) 8.809 20.977 ( -10.370 1.608 11.426) 15.514 21.269 ( 25.883 -7.497 11.475) 29.289 24.216 ( 0.504 4.698 -2.218) 5.220 24.365 ( 0.872 2.393 -4.791) 5.426 ======================= Grid point 220 (112/260) ======================= q-point: ( 0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.244 ( 0.680 18.006 10.744) 20.979 2.395 ( 6.170 15.625 19.515) 25.750 3.044 ( 9.537 4.486 16.201) 19.327 3.735 ( 7.364 -10.130 13.850) 18.673 4.022 ( -2.572 -12.093 9.737) 15.738 4.324 ( -6.314 14.199 -4.208) 16.099 4.486 ( -1.372 9.193 -5.604) 10.853 4.967 ( -1.898 5.571 -3.443) 6.819 5.500 ( 7.033 2.541 6.666) 10.018 5.933 ( 2.804 -8.571 -0.587) 9.037 6.095 ( 2.506 10.090 4.297) 11.249 6.454 ( 2.441 3.304 -0.684) 4.164 6.641 ( 2.598 -1.446 4.677) 5.542 7.488 ( -0.363 14.548 17.067) 22.429 7.982 ( -5.247 2.253 -7.483) 9.413 8.284 ( 5.346 0.202 4.836) 7.212 8.750 ( -6.010 9.878 -0.430) 11.570 8.847 ( 0.957 11.947 10.553) 15.969 9.599 ( -9.675 -1.498 0.505) 9.803 9.966 ( 8.539 -4.241 -8.916) 13.054 10.685 ( 26.765 3.161 21.279) 34.339 11.111 ( 8.194 -15.442 -1.660) 17.560 12.425 ( -4.761 12.328 -4.393) 13.926 12.743 ( 7.092 7.377 -9.130) 13.714 13.663 ( 1.302 -3.983 -3.137) 5.235 14.431 ( -9.358 -9.442 -9.404) 16.284 14.902 ( 2.992 -14.178 -2.581) 14.718 15.196 ( -1.116 2.959 -8.167) 8.758 16.083 ( -4.202 -6.336 13.887) 15.832 18.495 ( -7.396 -1.755 -19.128) 20.583 19.383 ( -4.005 -1.125 -0.348) 4.175 19.841 ( -6.444 2.808 -7.477) 10.262 20.710 ( -17.122 3.833 7.854) 19.224 21.869 ( 29.958 -14.611 7.637) 34.195 24.167 ( -5.191 4.987 -2.380) 7.582 24.363 ( 0.103 0.823 -4.509) 4.584 ======================= Grid point 221 (113/260) ======================= q-point: ( 0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 1.229 16.766 10.318) 19.725 2.609 ( 10.810 10.056 16.149) 21.881 3.272 ( 8.712 -0.996 10.683) 13.821 3.869 ( 1.457 -10.873 12.303) 16.484 4.045 ( 1.219 -9.765 2.938) 10.270 4.156 ( -6.039 3.329 -7.206) 9.974 4.495 ( 2.965 14.683 -0.969) 15.011 4.927 ( -1.062 3.870 -10.013) 10.787 5.656 ( 7.243 4.681 6.695) 10.917 5.960 ( 0.058 -5.739 5.943) 8.262 6.169 ( 4.522 12.721 0.198) 13.502 6.490 ( 1.800 2.393 -2.169) 3.697 6.697 ( 0.623 -5.149 4.796) 7.065 7.466 ( -6.024 8.317 16.262) 19.233 7.907 ( -1.388 3.391 -4.337) 5.678 8.388 ( 3.613 7.006 3.792) 8.748 8.638 ( -5.568 14.084 1.120) 15.186 8.874 ( -0.508 10.380 14.012) 17.446 9.396 ( -6.280 -6.947 -2.259) 9.634 10.182 ( 12.754 -2.696 -8.606) 15.620 11.183 ( 12.691 -7.157 11.161) 18.353 11.343 ( 18.655 1.091 6.721) 19.859 12.307 ( -5.300 13.204 -5.679) 15.320 12.884 ( 8.606 2.424 -5.624) 10.563 13.599 ( -7.185 -2.372 1.806) 7.779 14.195 ( -12.056 -11.231 -10.766) 19.682 14.922 ( -0.021 -9.452 -4.100) 10.303 15.174 ( 0.460 1.399 -2.854) 3.212 16.216 ( 15.498 -1.194 2.599) 15.760 18.432 ( 3.574 -6.568 -9.237) 11.884 19.234 ( -10.991 -0.398 -1.257) 11.069 19.651 ( -10.079 1.240 -6.242) 11.920 20.383 ( -17.696 7.210 7.261) 20.441 22.425 ( 25.100 -17.655 3.236) 30.857 24.002 ( -10.687 3.913 -4.955) 12.413 24.350 ( -0.483 0.129 -3.126) 3.166 ======================= Grid point 222 (114/260) ======================= q-point: ( 0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 5.783 11.415 8.918) 15.597 2.873 ( 12.217 5.587 12.783) 18.544 3.401 ( 2.519 -2.345 5.005) 6.074 3.779 ( -12.616 -7.876 6.235) 16.127 3.934 ( -6.626 0.966 -0.857) 6.751 4.228 ( 7.715 -8.360 -8.218) 14.034 4.593 ( 6.996 10.629 -1.823) 12.854 4.872 ( -1.247 -0.201 -16.239) 16.288 5.809 ( 6.645 4.358 5.908) 9.902 5.980 ( 0.204 -1.310 8.226) 8.332 6.282 ( 7.151 11.389 2.321) 13.646 6.525 ( 2.042 4.734 0.606) 5.191 6.664 ( -4.846 -4.711 3.520) 7.621 7.355 ( -7.987 2.031 15.341) 17.415 7.874 ( -1.854 4.047 -1.946) 4.858 8.345 ( -9.191 8.872 -1.098) 12.822 8.631 ( 4.450 16.602 10.051) 19.911 8.876 ( -2.384 9.386 12.732) 15.997 9.425 ( 9.349 -5.800 -2.493) 11.281 10.398 ( 10.968 -3.721 -5.812) 12.959 11.255 ( -3.310 -7.717 -7.022) 10.946 11.730 ( 13.695 13.077 16.635) 25.204 12.230 ( -0.782 10.125 -3.482) 10.736 13.038 ( 7.596 -4.190 -1.072) 8.741 13.432 ( -9.371 1.051 4.685) 10.529 13.918 ( -13.357 -13.033 -11.537) 21.940 14.903 ( -0.364 -2.223 -3.911) 4.513 15.186 ( 0.500 -2.585 0.114) 2.635 16.661 ( 28.968 1.295 -6.565) 29.731 18.548 ( 8.434 -8.687 -4.388) 12.878 18.968 ( -14.817 0.705 -1.670) 14.928 19.478 ( -5.095 -1.281 -2.112) 5.662 20.043 ( -19.163 9.462 8.164) 22.878 22.869 ( 20.078 -17.625 -0.106) 26.717 23.732 ( -15.076 1.315 -7.716) 16.986 24.331 ( -0.726 0.518 -2.575) 2.725 ======================= Grid point 223 (115/260) ======================= q-point: ( 0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 8.097 4.398 6.371) 11.202 3.124 ( 9.273 -0.553 10.628) 14.115 3.373 ( -7.438 3.455 1.201) 8.289 3.531 ( -10.311 -5.631 2.455) 12.002 3.792 ( -7.437 0.699 -0.728) 7.505 4.308 ( 2.927 -0.198 -14.194) 14.494 4.703 ( 2.525 3.782 -8.537) 9.673 4.859 ( 6.636 -8.933 -15.717) 19.258 5.940 ( 5.335 1.797 4.087) 6.956 5.992 ( -1.014 3.887 8.498) 9.400 6.442 ( 5.100 7.559 6.037) 10.936 6.489 ( -9.129 2.559 9.160) 13.183 6.632 ( 6.021 4.064 -0.593) 7.288 7.260 ( -4.726 -0.802 15.809) 16.520 7.822 ( -3.003 3.998 -0.191) 5.004 8.130 ( -10.822 5.987 -1.883) 12.510 8.729 ( 1.062 9.551 9.214) 13.313 8.896 ( 2.572 17.588 14.063) 22.665 9.660 ( 12.471 -3.785 -2.966) 13.366 10.594 ( 10.152 -2.835 -1.049) 10.592 11.057 ( -13.172 -2.262 -12.142) 18.057 11.946 ( 6.259 18.875 12.466) 23.470 12.221 ( -1.723 3.045 -1.066) 3.657 13.127 ( -2.672 -2.315 8.003) 8.749 13.329 ( 2.113 -7.474 -0.929) 7.822 13.634 ( -12.333 -10.381 -11.961) 20.073 14.902 ( 1.090 1.542 -2.670) 3.270 15.184 ( -0.799 -4.297 0.837) 4.450 17.268 ( 33.940 4.034 -10.234) 35.678 18.602 ( -9.620 -2.905 -8.618) 13.238 18.781 ( 4.353 -0.824 1.961) 4.845 19.446 ( -2.840 -1.507 0.024) 3.215 19.693 ( -14.338 5.443 14.971) 21.432 23.171 ( 5.208 -16.408 -11.778) 20.858 23.433 ( -7.112 -1.447 -1.247) 7.364 24.308 ( -1.004 1.260 -3.051) 3.450 ======================= Grid point 224 (116/260) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 3.790 -1.913 3.757) 5.669 3.051 ( -16.331 2.632 9.970) 19.314 3.351 ( 3.420 -3.212 -5.313) 7.089 3.367 ( -6.934 0.673 -3.081) 7.618 3.696 ( -1.375 1.936 4.174) 4.802 4.309 ( 1.682 4.581 -13.314) 14.181 4.704 ( 2.860 0.038 -12.872) 13.186 5.005 ( 9.020 -12.826 -14.093) 21.082 5.936 ( -6.222 6.068 3.688) 9.441 6.055 ( 3.706 1.054 6.149) 7.257 6.263 ( -12.303 7.368 10.720) 17.905 6.514 ( -0.253 4.062 7.497) 8.531 6.821 ( 10.101 6.998 5.215) 13.349 7.249 ( -0.282 -3.169 14.401) 14.748 7.764 ( -2.880 3.539 2.275) 5.099 7.942 ( -7.185 2.210 -3.751) 8.401 8.739 ( -0.509 6.265 5.383) 8.276 9.000 ( 2.882 19.911 17.137) 26.428 9.804 ( 1.672 -3.717 -5.011) 6.460 10.742 ( -15.043 0.713 -10.448) 18.329 10.796 ( 9.722 0.532 2.709) 10.106 12.073 ( 3.037 19.460 2.962) 19.917 12.118 ( -6.392 0.115 3.015) 7.068 12.998 ( -9.055 1.351 5.462) 10.661 13.379 ( -8.786 -8.853 -7.841) 14.732 13.510 ( 11.613 -14.026 -2.827) 18.428 14.929 ( 1.870 1.417 -2.285) 3.275 15.164 ( -1.105 -3.384 0.914) 3.675 17.909 ( 33.097 7.152 -10.006) 35.308 18.345 ( -11.175 -0.283 -9.254) 14.512 18.969 ( 11.828 2.694 1.732) 12.254 19.088 ( -26.395 5.325 2.935) 27.086 19.808 ( 13.757 -8.339 20.102) 25.747 22.864 ( -21.277 -11.590 -21.159) 32.167 23.609 ( 13.582 -6.516 3.386) 15.440 24.276 ( -1.385 1.856 -4.254) 4.843 ======================= Grid point 225 (117/260) ======================= q-point: (-0.40 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -11.114 -1.980 2.640) 11.593 2.763 ( -14.719 11.218 8.461) 20.349 3.209 ( -3.533 -1.631 -7.406) 8.366 3.383 ( -1.027 -7.270 -6.061) 9.521 3.752 ( 4.924 3.704 6.911) 9.259 4.358 ( 6.318 6.331 -8.277) 12.186 4.786 ( 7.867 -0.201 -9.834) 12.595 5.101 ( 3.443 -13.347 -12.146) 18.372 5.718 ( -15.803 8.236 3.835) 18.228 6.092 ( -4.586 12.891 6.665) 15.219 6.114 ( -2.878 -0.162 6.301) 6.929 6.507 ( -2.033 2.751 9.787) 10.368 6.996 ( 5.516 6.326 8.686) 12.078 7.280 ( -0.943 -5.598 11.193) 12.550 7.738 ( 0.006 2.958 5.679) 6.403 7.845 ( -1.190 -2.024 -7.704) 8.054 8.755 ( 1.362 6.172 2.291) 6.723 9.060 ( -1.003 17.341 16.401) 23.889 9.707 ( -8.970 -4.753 -4.165) 10.973 10.450 ( -12.993 4.728 -3.807) 14.341 10.938 ( 2.978 2.634 1.614) 4.291 11.862 ( -14.252 -6.191 -4.980) 16.317 12.240 ( 8.252 23.590 6.224) 25.756 12.846 ( -6.573 2.159 -0.638) 6.948 13.203 ( -6.464 -3.847 -5.999) 9.622 13.789 ( 16.165 -18.987 -1.153) 24.963 14.942 ( -0.429 -1.960 -2.302) 3.054 15.161 ( 0.944 -0.117 0.067) 0.954 18.111 ( -11.084 2.480 -8.512) 14.193 18.514 ( 24.579 12.828 -7.234) 28.653 18.577 ( -18.514 -4.744 2.937) 19.336 19.242 ( 14.784 4.009 3.238) 15.656 20.183 ( 18.376 -8.633 23.338) 30.934 22.352 ( -25.417 -13.490 -24.060) 37.508 23.864 ( 11.274 -2.951 2.047) 11.833 24.238 ( -1.079 2.023 -5.817) 6.253 ======================= Grid point 226 (118/260) ======================= q-point: (-0.30 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( -13.966 7.078 3.912) 16.138 2.494 ( -14.034 15.948 9.322) 23.199 3.185 ( 1.165 -5.055 -2.490) 5.754 3.306 ( -5.512 -6.554 -1.141) 8.639 3.904 ( 9.148 6.600 3.362) 11.770 4.487 ( 6.924 5.563 -6.449) 10.976 4.914 ( 2.993 1.345 -3.108) 4.519 5.094 ( -0.267 -12.392 -1.720) 12.513 5.425 ( -11.720 9.576 -3.015) 15.432 5.973 ( -8.232 12.286 11.837) 18.942 6.065 ( -3.877 0.179 -3.687) 5.353 6.488 ( -2.474 1.682 11.281) 11.671 7.041 ( -4.328 3.152 7.548) 9.254 7.263 ( -1.421 -3.919 10.582) 11.373 7.799 ( 4.009 0.165 4.361) 5.926 7.869 ( 6.050 -1.405 -7.105) 9.437 8.796 ( 1.944 4.365 -0.676) 4.826 9.034 ( -4.489 13.493 12.117) 18.682 9.506 ( -9.768 -4.295 -0.172) 10.672 10.208 ( -11.579 10.281 3.411) 15.855 10.902 ( -6.444 2.406 -0.506) 6.898 11.551 ( -15.502 -10.310 -5.850) 19.515 12.414 ( 7.203 23.163 4.142) 24.608 12.742 ( -3.018 7.692 -9.080) 12.277 13.122 ( -0.455 -5.332 0.056) 5.352 14.116 ( 17.177 -19.553 -2.952) 26.193 14.900 ( -3.082 -4.102 -1.633) 5.384 15.196 ( 2.440 1.465 -2.371) 3.704 17.709 ( -27.926 1.706 3.190) 28.159 18.379 ( 3.525 -7.673 -4.751) 9.688 19.030 ( 23.900 9.501 -6.026) 26.415 19.540 ( 14.194 3.171 3.267) 14.907 20.600 ( 17.525 -5.333 24.737) 30.782 21.763 ( -28.548 -13.204 -25.344) 40.394 24.045 ( 6.464 1.552 0.292) 6.654 24.225 ( 1.759 1.271 -6.424) 6.781 ======================= Grid point 227 (119/260) ======================= q-point: (-0.20 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -7.629 15.544 9.960) 19.975 2.289 ( -9.153 19.363 12.731) 24.916 3.147 ( -8.333 -2.268 5.711) 10.353 3.257 ( 3.458 -6.107 4.233) 8.195 4.102 ( 9.305 7.911 1.975) 12.372 4.538 ( -1.043 0.761 -5.368) 5.521 4.782 ( -12.011 9.116 6.091) 16.262 5.163 ( 3.049 -3.268 1.668) 4.770 5.299 ( -0.482 1.416 -8.046) 8.184 5.860 ( -4.797 8.405 11.696) 15.181 5.961 ( -4.488 -1.608 -7.178) 8.617 6.456 ( -3.587 0.823 11.601) 12.170 6.883 ( -10.799 3.037 3.952) 11.894 7.295 ( 1.270 2.635 11.712) 12.072 7.894 ( 5.682 -2.848 -1.897) 6.632 8.042 ( 11.390 2.298 -0.451) 11.628 8.762 ( -6.661 2.169 1.152) 7.099 9.006 ( 0.784 8.269 5.592) 10.013 9.349 ( -5.617 -1.656 0.491) 5.876 10.029 ( -7.632 13.811 10.036) 18.700 10.705 ( -12.846 0.717 -1.265) 12.928 11.257 ( -12.373 -13.458 -5.550) 19.105 12.506 ( 1.373 15.689 2.620) 15.966 12.686 ( -0.021 14.409 -14.636) 20.538 13.198 ( 7.486 -4.168 2.553) 8.941 14.423 ( 14.553 -19.446 -5.057) 24.810 14.826 ( -4.004 -4.098 -1.218) 5.858 15.233 ( 2.053 1.007 -5.367) 5.834 17.156 ( -28.577 -6.567 10.309) 31.081 18.574 ( 15.757 -8.066 -8.461) 19.619 19.418 ( 16.593 8.153 -5.627) 19.325 19.781 ( 8.680 0.112 -0.093) 8.682 20.929 ( 7.638 -1.009 20.561) 21.957 21.169 ( -22.532 -8.715 -16.912) 29.490 24.124 ( 3.092 4.296 -3.413) 6.298 24.281 ( 4.302 1.383 -4.110) 6.109 ======================= Grid point 228 (120/260) ======================= q-point: (-0.10 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 0.018 16.754 18.244) 24.770 2.204 ( -2.273 23.468 14.251) 27.550 2.987 ( -8.693 4.577 10.746) 14.561 3.380 ( 6.555 -8.148 11.688) 15.683 4.202 ( -2.328 -3.317 7.820) 8.808 4.473 ( -2.593 6.794 1.063) 7.349 4.602 ( -5.325 16.417 -6.353) 18.391 5.142 ( -4.615 1.692 0.517) 4.943 5.306 ( 1.210 1.094 0.218) 1.646 5.832 ( -0.780 -7.377 -0.712) 7.452 5.934 ( 3.664 5.008 2.768) 6.795 6.410 ( -3.202 0.807 11.100) 11.581 6.705 ( -7.116 7.990 1.560) 10.812 7.355 ( 1.973 7.747 12.751) 15.050 8.008 ( 6.199 -2.171 -2.981) 7.213 8.249 ( 5.915 7.220 0.058) 9.334 8.623 ( -3.507 -1.176 5.108) 6.307 9.008 ( -4.028 3.044 4.164) 6.545 9.348 ( 7.025 3.063 -3.655) 8.491 9.984 ( 0.945 12.802 14.851) 19.630 10.415 ( -15.930 -2.411 -1.007) 16.142 11.063 ( -5.940 -15.792 -4.138) 17.372 12.512 ( -0.251 11.865 -0.374) 11.874 12.662 ( 0.717 13.854 -13.281) 19.205 13.387 ( 10.428 -1.809 -0.470) 10.594 14.638 ( 7.256 -20.112 -7.487) 22.654 14.751 ( -1.922 -2.814 -0.470) 3.440 15.248 ( 1.096 0.447 -8.377) 8.460 16.665 ( -24.422 -12.832 15.836) 31.809 18.852 ( 11.792 -7.450 -17.789) 22.606 19.561 ( -5.000 2.775 -6.964) 9.011 19.854 ( 3.617 -0.064 -9.147) 9.836 20.860 ( 3.916 -0.292 6.109) 7.262 21.110 ( -0.733 -0.904 15.039) 15.084 24.179 ( 3.283 4.620 -3.790) 6.818 24.343 ( 2.608 2.604 -3.802) 5.295 ======================= Grid point 229 (121/260) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( 3.067 8.588 9.402) 13.098 2.653 ( -2.402 12.351 19.058) 22.837 2.978 ( 3.304 0.448 9.499) 10.068 3.359 ( 6.853 -8.022 17.666) 20.577 3.909 ( -9.858 -5.283 14.203) 18.078 4.594 ( -3.610 1.965 -10.714) 11.475 4.894 ( -1.805 17.402 -1.357) 17.548 5.115 ( -6.810 3.132 -0.055) 7.496 5.399 ( 4.642 1.000 3.673) 6.003 5.596 ( 7.352 -13.225 -3.217) 15.470 6.139 ( 3.949 3.507 6.396) 8.295 6.385 ( 1.609 -2.381 7.855) 8.364 6.740 ( -4.559 3.869 -3.607) 6.983 7.660 ( 3.873 8.475 14.721) 17.422 8.034 ( 7.379 -5.587 5.229) 10.631 8.237 ( -13.279 1.448 -0.708) 13.376 8.879 ( 17.471 4.893 6.726) 19.350 8.987 ( -2.979 4.034 2.232) 5.489 9.598 ( 12.456 0.775 -3.282) 12.905 9.983 ( -19.887 -3.564 -1.957) 20.298 10.376 ( 9.199 10.974 13.305) 19.547 10.675 ( 2.518 -14.981 4.953) 15.978 12.710 ( -1.842 7.168 -0.944) 7.461 12.807 ( 0.849 3.125 -6.455) 7.221 13.576 ( 6.631 2.131 -6.197) 9.323 14.299 ( 0.023 -12.782 -12.326) 17.757 14.694 ( 0.672 -1.805 -0.152) 1.932 15.259 ( 0.488 0.721 -10.056) 10.094 16.115 ( -15.344 -3.824 14.609) 21.529 18.749 ( -8.172 -0.935 -32.123) 33.159 19.410 ( -3.474 -0.229 0.646) 3.541 19.950 ( 2.313 1.029 -10.168) 10.478 21.009 ( -10.022 1.239 11.279) 15.139 21.158 ( 20.456 -3.145 13.306) 24.604 24.298 ( 1.373 3.012 -2.811) 4.343 24.373 ( -0.796 -0.940 -2.068) 2.407 ======================= Grid point 230 (122/260) ======================= q-point: ( 0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( 3.064 7.951 4.726) 9.744 2.671 ( 0.181 8.983 20.439) 22.327 3.110 ( 6.906 2.029 10.745) 12.933 3.534 ( 6.324 -7.730 16.998) 19.715 3.805 ( -3.262 -6.461 11.183) 13.321 4.441 ( -8.815 1.421 -10.371) 13.685 4.838 ( -2.637 16.898 -4.111) 17.590 5.029 ( -2.384 -0.479 -3.339) 4.131 5.528 ( 7.145 -1.265 8.003) 10.802 5.747 ( 7.296 -6.035 1.169) 9.540 6.241 ( 5.324 3.764 2.052) 6.835 6.437 ( 1.654 -2.477 3.796) 4.825 6.672 ( -1.481 2.290 -1.122) 2.949 7.709 ( -4.415 6.209 17.619) 19.196 8.015 ( -6.124 0.895 -4.779) 7.819 8.225 ( 9.373 -3.391 8.868) 13.341 8.930 ( -2.022 5.770 6.260) 8.751 9.136 ( 5.344 11.937 0.540) 13.090 9.538 ( -18.351 -3.533 -1.343) 18.736 9.887 ( 11.639 -3.102 -4.490) 12.855 10.701 ( 16.857 -2.034 12.465) 21.063 10.884 ( 19.109 -4.462 11.355) 22.671 12.654 ( -3.359 7.938 -1.939) 8.835 12.832 ( 2.724 1.538 -5.531) 6.354 13.640 ( 1.176 0.990 -6.225) 6.412 14.191 ( -7.653 -10.365 -12.735) 18.116 14.729 ( 2.734 -3.175 -0.665) 4.243 15.236 ( -0.457 0.960 -9.410) 9.470 15.995 ( 0.737 -2.179 10.504) 10.753 18.470 ( -9.392 -0.653 -23.665) 25.469 19.367 ( -3.729 -0.404 -0.322) 3.764 19.882 ( -6.833 1.058 -9.517) 11.764 20.772 ( -14.820 1.804 8.408) 17.134 21.660 ( 25.723 -5.434 9.985) 28.123 24.257 ( -5.993 3.408 -2.519) 7.340 24.348 ( -0.331 -1.689 -2.392) 2.947 ======================= Grid point 231 (123/260) ======================= q-point: ( 0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.569 ( 0.932 9.712 4.878) 10.908 2.769 ( 4.901 4.433 17.292) 18.512 3.261 ( 5.414 -0.272 9.341) 10.800 3.649 ( 0.856 -7.622 12.695) 14.832 3.849 ( 6.043 -5.942 4.519) 9.604 4.232 ( -9.639 2.026 -7.830) 12.583 4.793 ( -0.224 10.724 -8.952) 13.972 4.966 ( -3.125 0.107 -9.392) 9.899 5.707 ( 8.642 -1.159 9.868) 13.168 5.863 ( 3.809 -1.124 3.276) 5.148 6.354 ( 5.741 5.251 -0.148) 7.782 6.474 ( 2.429 -3.479 0.746) 4.308 6.663 ( -0.696 1.229 4.500) 4.717 7.567 ( -12.080 2.081 17.032) 20.984 7.960 ( -0.596 1.466 -2.894) 3.298 8.417 ( 5.564 -1.017 9.502) 11.058 8.919 ( -1.100 11.178 5.396) 12.461 9.148 ( -1.819 10.071 3.994) 10.986 9.254 ( -6.941 -5.686 -5.397) 10.471 10.101 ( 10.534 -4.102 -2.292) 11.535 10.992 ( 11.421 -6.308 2.217) 13.234 11.413 ( 26.087 2.348 20.790) 33.441 12.580 ( -3.390 11.171 -2.272) 11.893 12.867 ( 1.444 -3.553 -3.913) 5.479 13.600 ( -3.520 1.910 -4.412) 5.959 13.958 ( -12.702 -9.462 -11.534) 19.594 14.788 ( 3.342 -2.971 -1.071) 4.598 15.204 ( -0.735 0.876 -6.659) 6.757 16.198 ( 18.147 -0.475 1.467) 18.213 18.340 ( 0.843 -2.282 -13.881) 14.093 19.228 ( -10.121 -0.151 -1.882) 10.296 19.668 ( -11.682 0.418 -6.815) 13.531 20.495 ( -15.381 3.144 7.927) 17.587 22.166 ( 23.632 -6.827 5.560) 25.219 24.063 ( -12.593 1.732 -5.208) 13.737 24.341 ( -0.079 -0.534 -1.491) 1.586 ======================= Grid point 232 (124/260) ======================= q-point: ( 0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( 1.393 9.676 5.763) 11.348 2.915 ( 5.649 -1.675 14.291) 15.458 3.353 ( 2.172 -1.888 5.787) 6.463 3.616 ( -5.896 -4.375 5.699) 9.294 3.999 ( 1.298 2.178 -2.851) 3.815 4.081 ( 2.556 -4.167 -5.025) 7.011 4.778 ( 0.852 5.753 -13.978) 15.139 4.855 ( -4.889 -1.166 -16.527) 17.274 5.885 ( 6.037 2.261 6.209) 8.950 5.930 ( 3.148 -1.906 9.396) 10.090 6.459 ( 4.865 5.632 1.794) 7.656 6.544 ( 2.836 -3.726 2.752) 5.431 6.653 ( -0.488 3.226 6.185) 6.992 7.375 ( -10.636 0.278 16.843) 19.922 7.933 ( -1.977 1.587 -0.506) 2.585 8.369 ( -11.085 -2.081 3.087) 11.693 8.949 ( 2.586 13.530 2.536) 14.006 9.161 ( 0.814 11.146 5.417) 12.419 9.284 ( 10.761 -7.873 2.649) 13.594 10.298 ( 10.276 -4.527 0.112) 11.230 11.123 ( 1.377 -3.815 -6.846) 7.957 11.896 ( 17.208 3.580 21.368) 27.668 12.520 ( -2.377 16.150 -1.037) 16.357 12.865 ( -0.614 -12.257 -0.350) 12.277 13.495 ( -6.758 5.169 -3.247) 9.106 13.672 ( -12.609 -10.217 -9.265) 18.687 14.849 ( 2.944 -1.796 -1.312) 3.690 15.177 ( -0.758 0.423 -4.283) 4.371 16.683 ( 30.972 0.711 -6.529) 31.661 18.421 ( 8.880 -3.316 -7.345) 11.992 18.980 ( -13.809 0.360 -2.845) 14.104 19.458 ( -7.349 -0.601 -1.592) 7.543 20.188 ( -18.518 3.952 8.476) 20.746 22.605 ( 20.236 -7.085 1.745) 21.511 23.750 ( -17.315 0.464 -7.485) 18.869 24.336 ( -0.097 0.046 -1.896) 1.899 ======================= Grid point 233 (125/260) ======================= q-point: ( 0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 1.105 5.565 4.812) 7.440 3.025 ( 1.492 -6.313 13.118) 14.634 3.373 ( -1.167 -1.459 1.861) 2.637 3.490 ( -6.135 0.234 -0.759) 6.186 3.895 ( -5.319 6.703 -2.651) 8.958 4.250 ( 8.944 -4.672 -11.124) 15.019 4.720 ( -2.505 -1.100 -17.863) 18.071 4.766 ( 1.624 -0.721 -19.444) 19.525 5.964 ( 3.159 0.815 4.428) 5.500 6.036 ( 2.288 0.697 13.923) 14.127 6.489 ( -5.943 -0.727 11.314) 12.801 6.563 ( 1.503 3.300 3.415) 4.981 6.758 ( 9.305 4.971 2.362) 10.811 7.248 ( -6.165 -0.327 17.073) 18.155 7.881 ( -3.252 1.575 0.870) 3.717 8.115 ( -13.444 -3.239 -0.006) 13.829 8.964 ( 0.255 10.717 -8.362) 13.596 9.232 ( 2.972 10.208 15.243) 18.585 9.555 ( 12.327 -5.403 6.642) 15.009 10.525 ( 13.037 -2.834 1.788) 13.460 11.008 ( -9.966 -1.656 -12.617) 16.163 12.166 ( 4.790 2.542 14.878) 15.835 12.460 ( -3.176 19.184 1.742) 19.523 12.895 ( 4.325 -17.906 4.977) 19.081 13.279 ( -13.049 1.103 -2.915) 13.416 13.484 ( -5.583 -4.182 -8.624) 11.092 14.892 ( 1.689 -1.216 -1.276) 2.441 15.158 ( -0.197 0.430 -2.780) 2.820 17.335 ( 36.452 1.995 -10.407) 37.961 18.542 ( -2.587 -2.034 -9.441) 9.998 18.783 ( 1.809 0.393 2.017) 2.738 19.401 ( 0.803 -1.651 2.662) 3.233 19.801 ( -22.604 3.381 11.709) 25.680 22.917 ( 7.342 -6.979 -7.837) 12.807 23.416 ( -10.209 -0.345 -3.035) 10.656 24.325 ( -0.469 0.402 -3.079) 3.141 ======================= Grid point 234 (126/260) ======================= q-point: (-0.50 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( -1.904 -0.265 3.584) 4.067 3.020 ( -4.174 -2.657 11.331) 12.364 3.316 ( -4.538 -0.926 -3.589) 5.860 3.383 ( -5.092 0.401 -5.159) 7.259 3.826 ( -0.318 8.391 -0.351) 8.404 4.313 ( 1.629 -4.831 -12.176) 13.200 4.697 ( 4.201 2.735 -20.131) 20.746 4.813 ( 7.767 -6.851 -17.543) 20.372 6.024 ( -2.646 2.502 6.795) 7.709 6.056 ( -0.266 -0.547 10.053) 10.071 6.381 ( -6.475 3.245 15.067) 16.718 6.570 ( -2.044 1.292 4.934) 5.495 6.966 ( 9.751 5.160 4.172) 11.794 7.209 ( -2.108 -0.572 16.919) 17.060 7.816 ( -3.891 1.591 1.951) 4.634 7.876 ( -9.554 -5.008 -2.783) 11.140 8.947 ( 0.597 9.491 -11.137) 14.645 9.312 ( 0.674 8.601 18.878) 20.756 9.703 ( 0.294 -4.787 5.359) 7.191 10.734 ( -11.363 -0.834 -12.208) 16.699 10.804 ( 11.585 0.220 3.925) 12.234 12.074 ( -13.796 -1.028 1.432) 13.908 12.515 ( 6.544 19.244 10.023) 22.664 13.021 ( -3.891 -3.294 8.560) 9.964 13.076 ( 4.012 -13.156 -4.831) 14.578 13.356 ( -5.314 -2.764 -9.961) 11.623 14.905 ( -0.174 -1.790 -1.021) 2.068 15.162 ( 1.292 1.193 -2.366) 2.948 18.023 ( 35.068 3.290 -10.891) 36.867 18.335 ( -9.864 -0.544 -10.429) 14.365 19.007 ( 14.207 1.381 4.708) 15.030 19.191 ( -27.180 3.129 0.448) 27.363 19.665 ( 9.667 -4.419 20.802) 23.360 22.677 ( -21.523 -5.381 -19.987) 29.861 23.526 ( 14.274 -1.862 4.635) 15.123 24.301 ( -1.094 0.578 -4.637) 4.800 ======================= Grid point 235 (127/260) ======================= q-point: (-0.40 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -5.401 -0.727 3.937) 6.723 2.949 ( -5.456 6.000 7.301) 10.912 3.170 ( -7.595 -2.558 -7.233) 10.795 3.262 ( -6.021 -3.188 -3.166) 7.512 3.899 ( 7.350 8.928 1.178) 11.624 4.341 ( 4.176 -7.511 -5.435) 10.168 4.778 ( 8.459 1.950 -17.673) 19.690 4.927 ( 6.157 -4.555 -16.829) 18.490 5.857 ( -13.007 4.482 5.858) 14.953 6.076 ( -1.934 -2.005 4.511) 5.302 6.321 ( -3.982 7.439 15.423) 17.580 6.514 ( -4.763 -1.575 7.375) 8.920 7.108 ( 2.135 2.398 7.144) 7.832 7.226 ( -0.290 1.313 16.926) 16.979 7.719 ( -2.688 -4.172 -1.064) 5.076 7.797 ( 0.216 -0.511 -3.178) 3.226 8.936 ( 0.745 7.928 -10.580) 13.242 9.331 ( -3.437 7.762 18.729) 20.563 9.598 ( -10.248 -4.861 1.745) 11.476 10.515 ( -8.014 1.472 -1.495) 8.284 10.981 ( 3.692 1.311 1.001) 4.044 11.738 ( -19.404 -4.036 -1.124) 19.851 12.694 ( 8.437 18.440 8.836) 22.120 12.901 ( -3.490 1.374 -0.395) 3.771 13.152 ( -4.647 0.706 -8.257) 9.501 13.380 ( 13.810 -19.098 -2.168) 23.668 14.881 ( -2.017 -2.248 -0.585) 3.077 15.194 ( 2.398 1.563 -3.066) 4.195 18.166 ( -4.289 2.221 -10.052) 11.152 18.476 ( -18.600 -3.449 4.112) 19.359 18.740 ( 14.729 6.759 -11.165) 19.679 19.307 ( 14.279 1.900 5.596) 15.454 20.028 ( 20.043 -5.076 23.924) 31.620 22.154 ( -25.804 -5.189 -22.023) 34.318 23.824 ( 14.075 -0.948 3.195) 14.464 24.264 ( -1.294 0.544 -6.243) 6.398 ======================= Grid point 236 (128/260) ======================= q-point: (-0.30 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -5.596 4.325 5.533) 8.979 2.816 ( -8.510 14.851 3.883) 17.551 3.069 ( -1.092 -7.793 -2.530) 8.266 3.136 ( -6.751 -7.047 3.802) 10.473 4.098 ( 11.754 11.251 1.321) 16.324 4.430 ( 4.064 -10.054 0.373) 10.851 4.924 ( 7.012 0.872 -12.987) 14.785 4.956 ( 3.193 -1.924 -11.138) 11.745 5.600 ( -12.601 6.049 -1.534) 14.062 5.979 ( -8.718 -3.387 2.427) 9.663 6.257 ( -6.221 10.959 10.268) 16.256 6.438 ( -4.662 -6.130 11.185) 13.580 7.069 ( -5.909 0.032 6.108) 8.499 7.295 ( 2.871 4.387 17.360) 18.135 7.733 ( 3.055 -4.129 -0.894) 5.213 7.852 ( 6.572 -0.729 -3.489) 7.476 8.918 ( -0.774 5.366 -8.803) 10.339 9.256 ( -7.543 7.724 13.407) 17.213 9.402 ( -8.687 -5.600 3.218) 10.825 10.393 ( -5.607 6.019 5.346) 9.810 10.942 ( -7.302 1.378 -0.399) 7.441 11.339 ( -20.217 -7.613 -1.295) 21.642 12.779 ( -1.220 10.433 3.597) 11.103 12.978 ( 10.675 9.144 -0.413) 14.062 13.017 ( -5.627 0.104 -8.806) 10.450 13.704 ( 17.987 -17.574 -4.265) 25.506 14.829 ( -3.106 -2.084 -0.095) 3.741 15.233 ( 2.259 1.279 -4.507) 5.201 17.765 ( -36.454 2.538 7.286) 37.262 18.234 ( 6.602 -4.871 -9.565) 12.602 19.196 ( 23.691 5.195 -11.665) 26.913 19.576 ( 11.386 0.505 5.075) 12.476 20.505 ( 21.277 -3.031 25.500) 33.349 21.584 ( -26.709 -4.278 -21.205) 34.371 24.072 ( 10.330 0.863 1.620) 10.492 24.232 ( 0.103 -0.110 -7.189) 7.191 ======================= Grid point 237 (129/260) ======================= q-point: (-0.20 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( -3.836 7.993 8.094) 12.004 2.695 ( -4.491 19.074 7.677) 21.046 3.021 ( -6.122 -9.819 9.111) 14.727 3.094 ( 2.841 -7.844 5.118) 9.788 4.263 ( -1.262 6.643 6.253) 9.210 4.485 ( 5.072 -3.942 -0.795) 6.473 4.927 ( 0.629 2.120 -1.324) 2.577 5.111 ( 9.711 0.292 -9.994) 13.939 5.391 ( -6.875 5.604 -7.596) 11.677 5.766 ( -12.464 -7.619 0.242) 14.610 6.139 ( -6.687 10.279 7.729) 14.496 6.386 ( -3.480 -6.339 11.791) 13.832 6.960 ( -5.881 2.649 2.787) 7.026 7.404 ( 4.215 6.109 16.126) 17.752 7.804 ( 3.794 -5.217 2.559) 6.940 8.046 ( 14.037 -0.565 -3.078) 14.382 8.832 ( -7.507 3.106 -4.146) 9.121 9.149 ( -5.750 5.236 10.201) 12.827 9.295 ( -1.404 -3.293 -0.136) 3.582 10.309 ( -4.431 10.899 8.439) 14.479 10.718 ( -14.690 0.781 -0.965) 14.742 10.972 ( -16.330 -11.669 0.146) 20.071 12.755 ( -1.274 8.993 -0.006) 9.082 12.904 ( -3.736 1.490 -7.433) 8.451 13.207 ( 11.886 6.730 -1.552) 13.747 14.022 ( 15.172 -15.702 -7.929) 23.229 14.765 ( -3.265 -1.599 0.221) 3.642 15.258 ( 1.538 0.865 -6.345) 6.586 17.077 ( -34.368 -1.620 10.759) 36.049 18.451 ( 16.575 -3.313 -12.372) 20.947 19.567 ( 16.139 5.495 -9.764) 19.647 19.746 ( 4.397 -2.687 -1.054) 5.260 20.912 ( 12.717 -0.565 22.366) 25.735 21.059 ( -20.014 -2.365 -11.799) 23.353 24.205 ( 3.346 3.456 -4.588) 6.647 24.272 ( 5.461 -1.815 -1.975) 6.085 ======================= Grid point 238 (130/260) ======================= q-point: (-0.10 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -0.044 8.674 10.700) 13.774 2.662 ( -2.326 19.092 14.157) 23.882 2.951 ( -2.711 -6.648 9.942) 12.263 3.199 ( 5.505 -8.401 13.130) 16.531 4.104 ( -12.556 -3.057 12.817) 18.201 4.608 ( 4.673 4.043 -6.720) 9.129 4.923 ( -1.098 9.751 -1.050) 9.869 5.228 ( -0.342 9.352 0.912) 9.402 5.320 ( 2.540 0.637 -7.261) 7.719 5.558 ( -5.304 -16.252 -3.495) 17.449 6.080 ( -0.597 6.384 8.149) 10.369 6.361 ( -1.441 -4.056 10.456) 11.307 6.849 ( -5.653 4.326 -1.235) 7.225 7.532 ( 5.135 8.124 14.720) 17.579 7.899 ( 5.205 -6.819 4.861) 9.860 8.355 ( 13.305 2.705 -3.006) 13.906 8.633 ( -7.159 1.153 4.025) 8.293 9.062 ( -4.941 2.036 5.470) 7.647 9.377 ( 9.291 0.095 -3.039) 9.776 10.271 ( -1.517 12.112 9.775) 15.638 10.385 ( -18.152 1.011 -0.397) 18.184 10.728 ( -8.350 -15.195 2.403) 17.504 12.734 ( -0.726 8.459 -1.375) 8.601 12.834 ( -1.915 2.054 -6.009) 6.633 13.420 ( 10.223 4.251 -4.269) 11.866 14.239 ( 8.691 -14.613 -10.689) 20.083 14.710 ( -2.139 -1.103 0.201) 2.415 15.265 ( 0.997 0.627 -8.383) 8.465 16.501 ( -26.724 -3.699 13.562) 30.195 18.745 ( 14.095 -2.751 -20.974) 25.420 19.603 ( -11.442 1.135 -7.900) 13.951 19.850 ( 9.565 -0.174 -10.590) 14.272 20.860 ( 3.168 0.077 7.756) 8.379 21.096 ( 0.191 -0.345 16.482) 16.487 24.256 ( 3.306 2.551 -4.970) 6.491 24.357 ( 2.850 -0.446 -0.946) 3.036 ======================= Grid point 279 (131/260) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -3.559 0.000 23.225) 23.496 1.771 ( 4.772 0.000 24.407) 24.869 3.111 ( 13.654 0.000 16.287) 21.253 3.677 ( 4.126 0.000 -12.449) 13.115 3.835 ( -2.627 0.000 24.789) 24.928 4.192 ( 9.373 0.000 5.210) 10.724 4.781 ( -1.006 0.000 -3.559) 3.699 5.007 ( -3.929 0.000 11.880) 12.513 5.620 ( -7.054 0.000 5.882) 9.184 5.635 ( -2.503 0.000 7.168) 7.592 5.984 ( 2.770 0.000 12.570) 12.871 6.296 ( 2.819 0.000 10.918) 11.276 6.483 ( -4.236 0.000 3.923) 5.774 7.184 ( -3.506 0.000 9.487) 10.114 7.315 ( 2.873 0.000 -15.347) 15.614 8.270 ( -9.800 0.000 4.765) 10.897 8.491 ( -8.307 0.000 -14.139) 16.399 8.962 ( 13.310 0.000 -11.804) 17.790 9.176 ( 7.383 0.000 24.166) 25.268 10.379 ( -2.054 0.000 1.459) 2.519 10.478 ( 20.023 0.000 -0.186) 20.024 10.742 ( -8.494 0.000 -12.788) 15.352 11.656 ( 3.482 0.000 -9.284) 9.916 12.052 ( 7.210 0.000 -13.233) 15.070 13.994 ( 8.611 0.000 5.236) 10.078 14.793 ( -4.436 0.000 -9.481) 10.468 15.020 ( -3.915 0.000 4.827) 6.215 15.299 ( 7.297 0.000 -9.740) 12.171 18.157 ( -65.405 0.000 0.443) 65.406 18.281 ( 19.919 0.000 0.006) 19.919 19.545 ( 0.109 0.000 1.565) 1.568 19.691 ( -0.112 0.000 -1.505) 1.509 21.131 ( -22.696 0.000 12.048) 25.695 21.953 ( 54.526 0.000 -7.644) 55.059 23.597 ( 5.111 0.000 3.067) 5.961 23.930 ( -3.238 0.000 -4.407) 5.468 ======================= Grid point 280 (132/260) ======================= q-point: ( 0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 9.672 0.000 21.711) 23.768 2.011 ( 13.882 0.000 16.159) 21.303 3.418 ( 12.759 0.000 6.480) 14.310 3.703 ( 1.711 0.000 -15.737) 15.830 3.904 ( 2.963 0.000 33.467) 33.598 4.305 ( 0.959 0.000 -0.927) 1.334 4.735 ( -1.783 0.000 -4.249) 4.608 5.053 ( 4.141 0.000 17.931) 18.403 5.470 ( -7.754 0.000 8.648) 11.615 5.583 ( -2.079 0.000 7.324) 7.613 6.065 ( 2.072 0.000 8.770) 9.011 6.388 ( -0.363 0.000 -0.259) 0.446 6.599 ( 14.337 0.000 5.318) 15.291 7.135 ( -3.641 0.000 13.420) 13.905 7.363 ( 5.104 0.000 -11.977) 13.020 8.067 ( -10.884 0.000 1.572) 10.997 8.272 ( -9.144 0.000 -14.701) 17.313 9.254 ( 16.800 0.000 -9.228) 19.168 9.357 ( 4.281 0.000 29.631) 29.939 10.273 ( -8.137 0.000 -3.555) 8.879 10.636 ( 1.365 0.000 -13.467) 13.536 10.923 ( 24.603 0.000 -9.750) 26.465 11.661 ( -0.759 0.000 -10.167) 10.195 12.228 ( 13.298 0.000 -12.218) 18.059 14.176 ( 8.137 0.000 1.948) 8.367 14.669 ( -5.815 0.000 -13.786) 14.962 14.918 ( -7.953 0.000 3.015) 8.505 15.404 ( 5.225 0.000 -4.732) 7.049 17.036 ( -46.295 0.000 20.220) 50.518 18.705 ( 22.297 0.000 6.412) 23.200 19.475 ( -7.530 0.000 1.322) 7.645 19.648 ( -4.120 0.000 -1.519) 4.391 20.617 ( -30.916 0.000 5.780) 31.451 22.854 ( 38.720 0.000 -19.988) 43.575 23.740 ( 8.038 0.000 3.514) 8.772 23.836 ( -5.169 0.000 -5.793) 7.763 ======================= Grid point 281 (133/260) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 17.242 0.000 18.454) 25.256 2.343 ( 16.270 0.000 8.671) 18.436 3.586 ( 2.930 0.000 2.809) 4.059 3.666 ( -1.525 0.000 -17.228) 17.296 4.069 ( 4.821 0.000 27.372) 27.793 4.253 ( -4.636 0.000 -4.326) 6.341 4.756 ( 6.345 0.000 -2.430) 6.794 5.074 ( -8.884 0.000 15.870) 18.187 5.505 ( 10.400 0.000 12.564) 16.310 5.621 ( 4.189 0.000 6.724) 7.922 6.094 ( -0.970 0.000 6.364) 6.438 6.359 ( -1.816 0.000 -0.813) 1.990 6.795 ( 2.087 0.000 -6.088) 6.436 7.175 ( 5.616 0.000 21.883) 22.592 7.443 ( 4.730 0.000 -8.412) 9.650 7.871 ( -9.287 0.000 3.528) 9.934 8.084 ( -6.737 0.000 -12.419) 14.129 9.481 ( 1.217 0.000 32.351) 32.374 9.519 ( 10.245 0.000 -3.278) 10.757 10.146 ( 0.222 0.000 -16.379) 16.380 10.688 ( 5.570 0.000 -7.822) 9.602 11.287 ( 10.121 0.000 -13.795) 17.110 11.628 ( 3.800 0.000 -7.591) 8.489 12.501 ( 17.324 0.000 -13.962) 22.250 14.227 ( -7.600 0.000 7.640) 10.777 14.489 ( -9.218 0.000 -15.990) 18.457 14.763 ( -4.848 0.000 1.976) 5.235 15.484 ( 3.530 0.000 -1.493) 3.833 16.536 ( -9.799 0.000 18.287) 20.747 19.157 ( 16.321 0.000 6.181) 17.452 19.279 ( -7.469 0.000 7.126) 10.323 19.527 ( -7.616 0.000 -1.730) 7.810 19.989 ( -32.920 0.000 1.191) 32.942 23.357 ( 17.082 0.000 -24.521) 29.884 23.725 ( -2.858 0.000 -5.098) 5.844 23.907 ( 7.844 0.000 2.439) 8.214 ======================= Grid point 282 (134/260) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 19.214 0.000 14.718) 24.204 2.671 ( 15.511 0.000 3.367) 15.872 3.548 ( -7.135 0.000 4.097) 8.227 3.569 ( -3.993 0.000 -18.231) 18.663 4.129 ( -7.226 0.000 0.659) 7.256 4.182 ( 1.753 0.000 15.146) 15.247 4.877 ( -12.339 0.000 9.828) 15.774 4.966 ( 13.805 0.000 -2.325) 13.999 5.760 ( 7.861 0.000 5.057) 9.347 5.807 ( 15.224 0.000 12.136) 19.469 6.059 ( -3.752 0.000 4.583) 5.923 6.319 ( -2.125 0.000 -0.322) 2.149 6.703 ( -7.616 0.000 -4.638) 8.917 7.388 ( 8.573 0.000 18.552) 20.437 7.482 ( 0.465 0.000 -5.788) 5.807 7.747 ( -3.800 0.000 11.029) 11.665 7.951 ( -4.566 0.000 -7.261) 8.577 9.559 ( -0.932 0.000 33.923) 33.936 9.628 ( 3.364 0.000 -3.343) 4.742 10.231 ( 10.910 0.000 -21.806) 24.383 10.804 ( 7.355 0.000 -2.765) 7.858 11.190 ( -11.495 0.000 -12.681) 17.116 11.825 ( 12.299 0.000 -5.664) 13.541 12.825 ( 18.853 0.000 -17.990) 26.059 13.948 ( -19.275 0.000 16.167) 25.157 14.237 ( -12.407 0.000 -14.810) 19.320 14.769 ( 2.474 0.000 2.274) 3.360 15.530 ( 1.226 0.000 -0.557) 1.346 16.638 ( 14.285 0.000 6.453) 15.675 18.922 ( -18.086 0.000 -2.293) 18.231 19.355 ( -9.119 0.000 -2.057) 9.348 19.374 ( -28.414 0.000 -2.835) 28.555 19.676 ( 22.203 0.000 20.946) 30.524 23.380 ( -5.347 0.000 -20.911) 21.583 23.784 ( 7.628 0.000 -8.607) 11.501 24.042 ( 5.272 0.000 0.679) 5.316 ======================= Grid point 283 (135/260) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 15.410 0.000 9.109) 17.901 2.944 ( 9.883 0.000 1.239) 9.960 3.370 ( -9.183 0.000 0.225) 9.186 3.442 ( -4.322 0.000 -17.069) 17.608 3.986 ( -8.457 0.000 13.792) 16.178 4.203 ( -3.108 0.000 11.566) 11.977 4.674 ( -9.008 0.000 1.156) 9.082 5.216 ( 11.286 0.000 -5.722) 12.653 5.912 ( 5.441 0.000 1.100) 5.551 5.967 ( -5.593 0.000 2.287) 6.043 6.120 ( 12.694 0.000 9.143) 15.644 6.262 ( -4.720 0.000 3.394) 5.813 6.558 ( -3.826 0.000 -0.263) 3.835 7.438 ( -2.987 0.000 -5.375) 6.149 7.516 ( 1.183 0.000 12.039) 12.097 7.841 ( 9.435 0.000 20.033) 22.144 7.865 ( -3.321 0.000 -1.129) 3.508 9.602 ( -2.868 0.000 34.150) 34.270 9.694 ( 5.106 0.000 -8.684) 10.074 10.390 ( 9.365 0.000 -21.128) 23.111 10.880 ( -16.551 0.000 -10.428) 19.562 10.954 ( 7.492 0.000 2.727) 7.973 11.977 ( 3.448 0.000 -3.742) 5.088 13.107 ( 12.631 0.000 -25.452) 28.414 13.652 ( -13.614 0.000 16.403) 21.317 13.983 ( -8.283 0.000 -8.526) 11.887 14.824 ( 2.168 0.000 5.630) 6.033 15.524 ( -1.647 0.000 -1.324) 2.114 17.036 ( 23.964 0.000 -0.171) 23.965 18.544 ( -19.422 0.000 -6.510) 20.484 18.901 ( -17.933 0.000 -0.408) 17.938 19.179 ( -7.741 0.000 -2.216) 8.051 20.153 ( 20.814 0.000 23.817) 31.630 23.176 ( -9.661 0.000 -22.009) 24.036 23.892 ( 5.150 0.000 -7.745) 9.301 24.106 ( 1.095 0.000 -1.159) 1.595 ======================= Grid point 284 (136/260) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.882 ( -15.987 0.000 4.844) 16.705 2.961 ( 2.528 0.000 1.906) 3.166 3.323 ( -4.874 0.000 -9.893) 11.028 3.375 ( 9.592 0.000 -10.223) 14.019 3.900 ( -3.847 0.000 22.757) 23.080 4.106 ( -9.153 0.000 11.736) 14.884 4.567 ( -0.296 0.000 -4.524) 4.534 5.328 ( -0.053 0.000 -5.023) 5.023 5.844 ( -7.215 0.000 2.690) 7.700 5.922 ( -4.084 0.000 0.537) 4.119 6.189 ( -1.711 0.000 5.873) 6.117 6.329 ( 6.172 0.000 4.691) 7.753 6.611 ( 7.415 0.000 4.796) 8.831 7.373 ( -1.366 0.000 -7.667) 7.787 7.563 ( 1.377 0.000 13.825) 13.893 7.819 ( -1.277 0.000 3.187) 3.433 8.121 ( 13.241 0.000 15.650) 20.500 9.591 ( -6.509 0.000 30.000) 30.698 9.766 ( 3.738 0.000 -12.417) 12.968 10.488 ( 5.408 0.000 -19.000) 19.755 10.520 ( -17.485 0.000 -4.667) 18.097 11.085 ( 4.239 0.000 7.055) 8.231 11.938 ( -6.141 0.000 -2.349) 6.575 13.090 ( -7.755 0.000 -29.115) 30.130 13.503 ( -5.391 0.000 13.557) 14.589 13.991 ( 10.640 0.000 -4.712) 11.636 14.885 ( 2.598 0.000 8.280) 8.677 15.462 ( -4.019 0.000 -2.875) 4.941 17.529 ( 25.657 0.000 -0.396) 25.660 18.144 ( -18.152 0.000 -12.357) 21.959 18.703 ( -2.909 0.000 3.443) 4.507 19.067 ( -2.545 0.000 -1.841) 3.141 20.593 ( 18.017 0.000 26.180) 31.780 22.900 ( -13.008 0.000 -27.379) 30.313 23.956 ( 3.041 0.000 -4.496) 5.428 24.077 ( -3.542 0.000 -2.631) 4.413 ======================= Grid point 285 (137/260) ======================= q-point: (-0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -21.777 0.000 4.876) 22.316 2.838 ( -15.382 0.000 6.000) 16.510 3.246 ( 0.075 0.000 -2.898) 2.899 3.482 ( -0.132 0.000 -12.055) 12.056 3.900 ( -1.693 0.000 9.793) 9.938 3.962 ( -5.519 0.000 12.344) 13.521 4.679 ( 11.766 0.000 2.213) 11.972 5.179 ( -12.751 0.000 0.878) 12.781 5.702 ( -8.048 0.000 4.108) 9.036 5.855 ( -3.139 0.000 7.673) 8.290 6.206 ( 1.509 0.000 3.713) 4.008 6.370 ( -2.570 0.000 3.375) 4.242 6.804 ( 9.708 0.000 5.258) 11.041 7.356 ( 1.498 0.000 -12.288) 12.379 7.642 ( 3.075 0.000 15.230) 15.537 7.851 ( 4.246 0.000 3.756) 5.669 8.379 ( 8.991 0.000 6.128) 10.881 9.444 ( -14.787 0.000 17.078) 22.590 9.749 ( -3.005 0.000 -13.764) 14.088 10.226 ( -11.974 0.000 10.950) 16.226 10.518 ( 1.856 0.000 -15.463) 15.574 11.143 ( -0.195 0.000 8.904) 8.907 11.764 ( -9.837 0.000 -2.615) 10.179 12.785 ( -14.630 0.000 -25.052) 29.011 13.488 ( 0.523 0.000 11.467) 11.479 14.269 ( 17.069 0.000 -7.825) 18.777 14.963 ( 2.951 0.000 9.892) 10.323 15.361 ( -5.220 0.000 -4.920) 7.173 17.818 ( -11.085 0.000 -14.739) 18.442 18.019 ( 23.950 0.000 3.862) 24.259 18.774 ( 8.286 0.000 4.387) 9.376 19.094 ( 5.986 0.000 -0.961) 6.063 20.973 ( 14.366 0.000 27.384) 30.923 22.524 ( -18.649 0.000 -34.261) 39.008 23.962 ( -7.251 0.000 -3.384) 8.002 23.995 ( 1.703 0.000 -1.768) 2.455 ======================= Grid point 286 (138/260) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -20.185 0.000 9.914) 22.488 2.465 ( -23.212 0.000 13.131) 26.669 3.287 ( -15.121 0.000 0.220) 15.122 3.308 ( 5.787 0.000 1.133) 5.897 3.873 ( -1.286 0.000 -1.944) 2.331 3.967 ( 1.061 0.000 5.408) 5.511 4.931 ( -11.297 0.000 4.871) 12.302 4.975 ( 15.240 0.000 7.611) 17.035 5.553 ( -7.985 0.000 6.224) 10.124 5.800 ( -5.549 0.000 12.707) 13.866 6.254 ( 2.344 0.000 3.553) 4.257 6.272 ( -7.634 0.000 5.193) 9.233 6.980 ( 6.564 0.000 4.350) 7.875 7.352 ( 1.230 0.000 -15.538) 15.587 7.720 ( -0.416 0.000 10.889) 10.897 8.006 ( 10.802 0.000 -1.028) 10.851 8.427 ( -5.455 0.000 -3.110) 6.279 9.161 ( -13.673 0.000 13.030) 18.887 9.577 ( -11.215 0.000 -12.590) 16.861 10.103 ( -5.547 0.000 22.077) 22.763 10.493 ( -1.106 0.000 -11.316) 11.370 11.129 ( -2.817 0.000 7.546) 8.055 11.591 ( -5.944 0.000 -3.799) 7.054 12.449 ( -13.452 0.000 -22.545) 26.253 13.561 ( 3.921 0.000 10.879) 11.564 14.580 ( 15.965 0.000 -8.173) 17.936 15.036 ( 1.867 0.000 10.259) 10.428 15.241 ( -5.247 0.000 -8.267) 9.792 17.664 ( -0.948 0.000 -13.932) 13.964 18.509 ( 25.402 0.000 9.368) 27.074 19.005 ( 13.182 0.000 3.728) 13.699 19.289 ( 13.321 0.000 0.796) 13.345 21.273 ( 9.459 0.000 27.062) 28.667 21.989 ( -27.830 0.000 -39.819) 48.580 23.793 ( -8.723 0.000 -3.180) 9.285 24.014 ( 0.501 0.000 -0.632) 0.806 ======================= Grid point 287 (139/260) ======================= q-point: (-0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -12.162 0.000 20.657) 23.971 2.038 ( -22.986 0.000 17.739) 29.035 3.003 ( -12.916 0.000 10.116) 16.406 3.455 ( 8.083 0.000 2.432) 8.441 3.871 ( 2.667 0.000 -4.238) 5.008 3.954 ( -4.176 0.000 8.395) 9.376 4.799 ( -3.096 0.000 2.488) 3.972 5.203 ( 1.819 0.000 7.289) 7.513 5.479 ( 2.511 0.000 8.181) 8.558 5.700 ( -7.159 0.000 14.677) 16.330 6.119 ( -9.220 0.000 8.782) 12.733 6.305 ( 1.500 0.000 5.142) 5.357 7.053 ( -1.592 0.000 1.402) 2.121 7.335 ( 0.981 0.000 -17.331) 17.359 7.509 ( -22.337 0.000 -2.706) 22.500 8.245 ( 13.990 0.000 -7.153) 15.713 8.329 ( -0.365 0.000 12.844) 12.850 9.020 ( -5.236 0.000 12.345) 13.409 9.276 ( -15.660 0.000 -11.162) 19.231 10.087 ( -0.800 0.000 19.908) 19.924 10.438 ( -1.880 0.000 -7.185) 7.427 11.070 ( -4.815 0.000 3.655) 6.045 11.535 ( 1.113 0.000 -5.009) 5.131 12.173 ( -9.000 0.000 -20.680) 22.553 13.682 ( 5.675 0.000 10.470) 11.909 14.832 ( 10.012 0.000 -3.620) 10.646 15.074 ( -0.361 0.000 9.240) 9.247 15.134 ( -1.861 0.000 -14.979) 15.095 17.714 ( 8.632 0.000 -10.670) 13.725 19.048 ( 24.564 0.000 5.809) 25.241 19.268 ( 12.138 0.000 2.719) 12.439 19.609 ( 18.689 0.000 5.568) 19.500 21.255 ( -35.470 0.000 -36.342) 50.782 21.449 ( 1.676 0.000 24.462) 24.520 23.629 ( -6.707 0.000 -1.798) 6.944 24.011 ( -0.599 0.000 -1.042) 1.202 ======================= Grid point 288 (140/260) ======================= q-point: (-0.10 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -16.378 0.000 21.400) 26.948 1.713 ( -4.237 0.000 27.508) 27.832 2.906 ( 1.200 0.000 16.987) 17.029 3.598 ( 6.157 0.000 -4.843) 7.833 3.875 ( -5.705 0.000 15.949) 16.939 3.984 ( 9.083 0.000 2.234) 9.353 4.786 ( 0.512 0.000 -1.304) 1.401 5.116 ( -8.185 0.000 8.761) 11.989 5.629 ( 5.819 0.000 4.931) 7.627 5.630 ( -2.227 0.000 13.047) 13.236 5.978 ( -6.453 0.000 13.548) 15.006 6.320 ( -2.132 0.000 7.865) 8.149 6.751 ( -23.703 0.000 -1.981) 23.786 7.231 ( -4.607 0.000 7.973) 9.208 7.315 ( 1.294 0.000 -17.455) 17.503 8.378 ( -1.960 0.000 13.315) 13.458 8.492 ( 11.744 0.000 -11.445) 16.398 8.965 ( -11.169 0.000 -11.633) 16.127 9.012 ( 2.588 0.000 15.134) 15.354 10.187 ( 8.068 0.000 11.767) 14.267 10.399 ( -0.799 0.000 -2.918) 3.026 10.942 ( -8.472 0.000 -3.368) 9.117 11.587 ( 4.776 0.000 -6.997) 8.472 12.025 ( -1.179 0.000 -17.111) 17.151 13.827 ( 6.876 0.000 8.794) 11.163 14.886 ( -2.843 0.000 -3.131) 4.229 15.066 ( -2.329 0.000 7.237) 7.602 15.169 ( 8.326 0.000 -16.281) 18.287 17.937 ( 15.572 0.000 -5.892) 16.650 19.208 ( -21.407 0.000 -11.709) 24.400 19.467 ( 7.148 0.000 1.997) 7.422 19.749 ( -10.081 0.000 -5.134) 11.313 20.988 ( 31.239 0.000 -1.084) 31.258 21.421 ( -10.195 0.000 19.004) 21.566 23.548 ( -0.939 0.000 0.775) 1.218 23.985 ( -1.679 0.000 -2.506) 3.016 ======================= Grid point 289 (141/260) ======================= q-point: ( 0.00 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -0.580 15.944 19.776) 25.410 1.910 ( 1.918 12.780 23.287) 26.632 3.114 ( 10.986 0.697 15.950) 19.379 3.784 ( 5.175 9.150 -10.122) 14.593 3.903 ( -3.064 6.560 21.232) 22.433 4.152 ( 8.268 -3.165 6.773) 11.146 4.729 ( -2.227 -3.940 -2.953) 5.404 4.965 ( -5.973 -3.752 11.368) 13.379 5.564 ( 1.398 -2.853 8.392) 8.973 5.729 ( -5.283 5.729 0.549) 7.813 6.034 ( 2.548 4.106 11.568) 12.536 6.341 ( -1.729 2.991 9.598) 10.201 6.535 ( 0.728 5.029 4.344) 6.685 7.230 ( -3.238 5.675 9.546) 11.568 7.432 ( 2.859 9.957 -13.615) 17.108 8.276 ( -7.618 0.830 4.174) 8.726 8.564 ( -10.249 6.552 -10.767) 16.245 8.887 ( 9.397 -5.011 -2.013) 10.838 9.262 ( 10.204 6.395 12.269) 17.191 10.324 ( 6.202 -8.188 0.267) 10.275 10.369 ( 1.994 -0.479 3.676) 4.209 11.038 ( 1.006 17.278 -13.954) 22.232 11.660 ( 3.655 3.332 -9.918) 11.083 12.101 ( 5.965 4.556 -11.932) 14.096 13.931 ( 7.784 -5.982 6.099) 11.558 14.759 ( -5.603 -3.411 -7.147) 9.701 15.019 ( -3.332 0.174 0.279) 3.348 15.229 ( 7.453 -6.849 -8.796) 13.410 17.698 ( -28.955 -29.586 13.317) 43.486 18.436 ( -11.649 2.689 -10.716) 16.055 19.519 ( -0.289 -2.105 1.654) 2.692 19.708 ( 0.692 1.411 -2.697) 3.121 21.136 ( -21.334 0.456 11.427) 24.206 21.798 ( 46.942 -11.811 -2.975) 48.496 23.800 ( 6.253 15.358 -2.020) 16.705 23.979 ( -3.270 4.612 -3.727) 6.772 ======================= Grid point 290 (142/260) ======================= q-point: ( 0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 5.246 13.053 19.311) 23.892 2.129 ( 13.841 10.844 16.063) 23.816 3.369 ( 10.400 -2.604 5.834) 12.205 3.829 ( 2.122 9.519 -11.212) 14.860 3.943 ( 1.255 3.767 27.321) 27.608 4.288 ( 3.835 -2.319 3.628) 5.766 4.643 ( -4.226 -4.785 -5.434) 8.384 4.964 ( 1.349 -8.598 16.716) 18.846 5.597 ( -2.680 9.223 4.819) 10.746 5.607 ( -1.936 2.674 7.110) 7.839 6.094 ( 0.793 2.651 7.682) 8.165 6.392 ( 2.357 -0.096 0.283) 2.376 6.669 ( 10.287 5.379 3.427) 12.103 7.205 ( -1.609 8.000 15.075) 17.142 7.471 ( 3.942 9.253 -11.296) 15.125 8.105 ( -9.625 4.026 2.914) 10.833 8.330 ( -9.473 5.597 -12.442) 16.609 9.106 ( 10.654 -8.224 6.931) 15.138 9.482 ( 8.619 6.829 10.459) 15.176 10.158 ( -8.355 -9.992 -6.874) 14.727 10.691 ( 14.853 6.712 0.997) 16.330 11.119 ( 11.565 12.950 -16.607) 24.026 11.675 ( -0.098 3.023 -10.847) 11.261 12.259 ( 12.745 3.249 -11.218) 17.287 14.091 ( 6.434 -7.978 3.397) 10.798 14.612 ( -7.640 -5.431 -10.250) 13.890 14.927 ( -6.026 0.962 -2.205) 6.489 15.342 ( 5.569 -6.073 -3.817) 9.081 16.922 ( -38.363 -10.299 21.369) 45.105 18.604 ( 17.813 -9.146 2.672) 20.201 19.447 ( -7.229 -2.064 0.414) 7.529 19.667 ( -4.556 1.419 -2.015) 5.180 20.657 ( -28.284 3.560 5.890) 29.110 22.614 ( 36.170 -18.293 -11.545) 42.145 23.874 ( -5.367 5.469 -4.999) 9.149 23.940 ( 6.878 12.500 -2.514) 14.488 ======================= Grid point 291 (143/260) ======================= q-point: ( 0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 12.560 5.331 16.784) 21.630 2.464 ( 16.344 10.173 10.480) 21.919 3.498 ( 2.136 -3.507 -1.992) 4.564 3.801 ( -2.627 7.662 -11.096) 13.738 4.043 ( 1.325 -1.799 18.986) 19.117 4.325 ( -0.362 5.895 2.384) 6.369 4.628 ( 5.452 -9.591 -2.975) 11.427 4.982 ( -5.396 -9.154 16.065) 19.261 5.583 ( 3.657 6.676 6.516) 10.020 5.698 ( 7.024 6.411 7.505) 12.114 6.100 ( -1.623 1.601 6.301) 6.701 6.409 ( -0.080 2.812 -1.092) 3.017 6.802 ( 1.078 0.565 -4.283) 4.453 7.280 ( 5.326 9.921 19.946) 22.905 7.524 ( 3.373 7.065 -8.151) 11.302 7.939 ( -7.798 7.137 5.216) 11.788 8.152 ( -6.062 6.654 -9.598) 13.158 9.309 ( 6.732 -9.268 18.155) 21.467 9.587 ( -0.609 -0.202 3.299) 3.361 10.095 ( 6.121 -3.696 -11.098) 13.202 10.888 ( 6.975 17.580 -3.801) 19.291 11.315 ( 5.059 1.166 -13.787) 14.732 11.670 ( 6.523 4.665 -8.825) 11.924 12.530 ( 17.106 3.055 -12.605) 21.467 14.122 ( -6.965 -9.546 7.912) 14.221 14.407 ( -10.336 -7.172 -12.281) 17.581 14.807 ( -3.751 3.288 -2.173) 5.441 15.428 ( 3.667 -5.404 -1.071) 6.618 16.513 ( -7.650 -2.181 17.565) 19.282 18.980 ( 16.612 -16.338 8.244) 24.716 19.240 ( -13.764 -1.271 -0.990) 13.858 19.541 ( -6.303 0.793 -1.092) 6.446 20.110 ( -27.023 9.603 3.511) 28.892 23.148 ( 21.752 -17.040 -16.354) 32.109 23.728 ( -7.383 2.568 -4.679) 9.110 24.064 ( 5.620 9.702 -2.999) 11.606 ======================= Grid point 292 (144/260) ======================= q-point: ( 0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 16.157 -0.950 12.791) 20.629 2.799 ( 15.496 9.605 6.414) 19.327 3.459 ( -5.062 -3.161 -2.773) 6.580 3.678 ( -6.804 5.538 -10.601) 13.760 4.030 ( -5.142 -5.203 4.807) 8.753 4.322 ( -0.570 8.633 6.468) 10.802 4.741 ( -3.166 -11.395 4.857) 12.785 4.923 ( 5.653 -5.572 2.440) 8.304 5.717 ( 6.860 -0.069 6.445) 9.413 5.903 ( 10.069 5.001 5.329) 12.441 6.081 ( -0.250 4.635 7.244) 8.604 6.398 ( -0.565 4.844 -0.062) 4.878 6.718 ( -7.295 1.335 -2.756) 7.912 7.437 ( 4.851 4.395 15.594) 16.912 7.544 ( -0.107 5.601 -5.966) 8.184 7.844 ( -3.602 9.197 9.943) 14.015 8.059 ( -1.430 10.807 -1.433) 10.995 9.414 ( -2.028 -11.591 20.562) 23.690 9.586 ( 4.249 -3.580 -1.715) 5.814 10.285 ( 13.020 2.927 -9.901) 16.617 10.987 ( 3.823 16.906 -3.197) 17.626 11.194 ( -9.598 0.501 -13.227) 16.350 11.886 ( 12.317 5.268 -4.952) 14.283 12.848 ( 18.043 2.384 -16.067) 24.277 13.879 ( -17.322 -6.366 15.264) 23.950 14.157 ( -12.126 -7.470 -13.682) 19.749 14.792 ( 1.316 2.045 1.022) 2.638 15.476 ( 1.221 -5.187 -0.398) 5.343 16.636 ( 14.981 -0.091 6.324) 16.261 18.918 ( -18.119 -0.817 -2.703) 18.338 19.084 ( -8.433 -14.571 0.175) 16.836 19.509 ( -6.568 1.915 -1.841) 7.085 19.764 ( 1.838 8.826 16.205) 18.544 23.340 ( -0.129 -5.814 -22.957) 23.682 23.653 ( 3.743 -7.215 -0.574) 8.148 24.138 ( 2.640 5.849 -3.043) 7.102 ======================= Grid point 293 (145/260) ======================= q-point: ( 0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( 14.646 -4.347 7.879) 17.190 3.065 ( 7.306 8.487 2.498) 11.474 3.314 ( -6.597 -3.222 -1.804) 7.561 3.522 ( -5.282 5.881 -13.285) 15.459 3.899 ( -8.751 -6.512 10.019) 14.812 4.305 ( -4.382 6.624 10.919) 13.502 4.592 ( -7.275 -7.285 -0.559) 10.311 5.140 ( 12.258 -7.978 -7.295) 16.344 5.835 ( 2.848 -4.285 2.636) 5.781 5.961 ( -2.442 2.643 3.203) 4.817 6.218 ( 6.892 8.577 7.153) 13.123 6.394 ( -0.096 7.627 3.918) 8.576 6.577 ( -3.604 1.921 1.481) 4.344 7.473 ( -3.792 2.766 -1.244) 4.856 7.551 ( 2.728 3.440 8.330) 9.416 7.811 ( -2.420 3.633 7.342) 8.542 8.119 ( 6.148 17.851 11.293) 21.999 9.386 ( -3.113 -15.550 11.210) 19.420 9.712 ( 6.297 -0.254 4.435) 7.707 10.495 ( 9.849 6.388 -9.912) 15.364 10.862 ( -14.301 -0.061 -6.785) 15.829 11.128 ( 4.739 15.548 -3.636) 16.655 12.037 ( 3.126 5.202 -2.726) 6.653 13.112 ( 10.862 0.663 -22.600) 25.083 13.608 ( -12.617 -4.140 14.843) 19.916 13.911 ( -7.791 -6.894 -7.897) 13.061 14.832 ( 1.825 0.755 4.765) 5.158 15.470 ( -1.564 -5.047 -1.157) 5.409 17.048 ( 24.858 1.313 -0.244) 24.894 18.537 ( -19.288 -0.803 -6.971) 20.525 18.869 ( -9.885 -2.494 -0.448) 10.205 19.244 ( -12.869 5.504 -2.018) 14.142 20.112 ( 19.446 -3.599 23.208) 30.491 23.146 ( -11.100 -3.218 -23.195) 25.915 23.785 ( 7.402 -8.512 -3.191) 11.723 24.152 ( -0.557 3.032 -3.046) 4.334 ======================= Grid point 294 (146/260) ======================= q-point: (-0.50 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -5.170 -1.715 4.912) 7.334 2.948 ( -6.873 0.666 2.023) 7.195 3.308 ( -1.019 -0.773 -9.303) 9.391 3.427 ( -0.443 2.588 -10.035) 10.373 3.824 ( 0.272 -3.961 17.966) 18.400 4.176 ( -10.836 2.518 11.246) 15.819 4.536 ( 2.809 -1.563 -4.751) 5.736 5.303 ( 4.933 -4.809 -8.017) 10.571 5.817 ( -4.329 -2.161 2.739) 5.560 5.890 ( -6.105 0.723 0.755) 6.194 6.210 ( -4.336 4.926 8.872) 11.035 6.451 ( 2.321 6.819 5.282) 8.933 6.666 ( 9.409 5.220 4.995) 11.863 7.397 ( -2.056 2.519 -5.603) 6.478 7.623 ( 1.762 5.122 12.126) 13.281 7.802 ( 0.942 -0.063 5.479) 5.559 8.303 ( 8.499 15.724 12.170) 21.623 9.342 ( -4.490 -17.092 9.772) 20.194 9.807 ( 1.887 0.444 0.931) 2.150 10.522 ( -13.061 2.762 -0.328) 13.354 10.642 ( 2.573 8.306 -13.481) 16.041 11.225 ( 4.427 14.135 3.603) 15.244 11.991 ( -6.715 4.583 -1.811) 8.329 13.064 ( -9.103 -2.192 -24.628) 26.348 13.466 ( -5.304 -3.490 10.819) 12.545 13.935 ( 11.185 -5.380 -4.150) 13.087 14.887 ( 2.480 0.230 7.113) 7.536 15.413 ( -3.741 -4.617 -2.455) 6.430 17.562 ( 26.853 3.149 -1.025) 27.056 18.149 ( -17.360 0.433 -11.872) 21.036 18.748 ( -2.866 4.261 2.774) 5.837 19.066 ( -3.693 0.031 -1.335) 3.927 20.544 ( 18.333 -4.582 25.934) 32.088 22.828 ( -15.486 -6.810 -27.482) 32.271 23.902 ( 5.234 -4.691 -2.484) 7.454 24.103 ( -3.627 2.005 -3.530) 5.444 ======================= Grid point 295 (147/260) ======================= q-point: (-0.40 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -20.553 3.409 4.614) 21.338 2.826 ( -15.362 -1.145 6.898) 16.879 3.223 ( -0.494 -2.266 -2.563) 3.456 3.439 ( 0.088 -3.391 -9.764) 10.336 3.938 ( 5.437 3.806 6.909) 9.580 3.982 ( -9.441 0.532 8.327) 12.600 4.684 ( 12.160 0.679 1.709) 12.298 5.249 ( -9.285 4.948 -1.236) 10.593 5.712 ( -6.556 -0.403 4.025) 7.703 5.782 ( -4.008 -4.585 3.873) 7.217 6.178 ( -1.566 0.941 7.088) 7.319 6.464 ( -2.192 6.382 5.742) 8.860 6.870 ( 9.037 5.700 5.602) 12.064 7.376 ( 1.245 1.934 -9.969) 10.231 7.683 ( 2.100 4.450 13.643) 14.503 7.882 ( 5.298 0.680 3.689) 6.492 8.461 ( 4.483 8.555 4.304) 10.574 9.232 ( -9.039 -14.369 8.574) 19.018 9.766 ( -5.597 -0.510 -4.696) 7.324 10.267 ( -12.034 3.867 10.380) 16.356 10.660 ( 0.978 9.833 -12.709) 16.098 11.297 ( 1.301 15.048 6.644) 16.501 11.806 ( -10.308 3.914 -2.111) 11.226 12.760 ( -14.353 -2.016 -21.890) 26.254 13.443 ( 0.242 -4.328 10.089) 10.981 14.217 ( 16.947 -5.148 -7.124) 19.090 14.958 ( 2.682 -0.420 8.213) 8.650 15.320 ( -4.745 -3.761 -4.119) 7.324 17.827 ( -11.639 0.984 -14.037) 18.261 18.070 ( 24.279 4.795 2.248) 24.850 18.759 ( 3.618 -1.589 3.559) 5.318 19.121 ( 8.958 2.677 0.185) 9.352 20.937 ( 15.143 -3.544 27.323) 31.439 22.402 ( -21.246 -10.990 -32.938) 40.708 23.978 ( 1.607 -1.278 -1.132) 2.344 24.002 ( -4.138 3.032 -4.331) 6.714 ======================= Grid point 296 (148/260) ======================= q-point: (-0.30 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -19.150 5.245 9.160) 21.867 2.467 ( -21.200 0.791 14.867) 25.905 3.284 ( 3.548 -1.092 0.940) 3.830 3.319 ( -8.016 1.466 -1.226) 8.241 3.868 ( -2.530 0.126 -0.114) 2.536 4.045 ( 3.332 6.312 1.553) 7.304 4.968 ( 13.211 -0.518 6.774) 14.856 5.016 ( -11.618 7.507 3.803) 14.346 5.597 ( -6.044 3.907 6.394) 9.627 5.718 ( -4.788 -7.716 7.526) 11.794 6.161 ( -2.177 -2.633 5.256) 6.269 6.414 ( -3.514 8.103 7.097) 11.330 7.020 ( 4.437 3.536 5.207) 7.701 7.379 ( 1.609 2.363 -12.356) 12.682 7.759 ( -0.199 3.601 8.091) 8.859 7.982 ( 4.044 -4.512 0.177) 6.062 8.472 ( -1.685 6.363 -2.188) 6.937 9.071 ( -8.030 -6.265 9.643) 14.026 9.587 ( -10.981 0.506 -6.013) 12.530 10.102 ( -8.292 1.743 17.808) 19.721 10.624 ( -1.729 8.244 -9.642) 12.803 11.292 ( -3.336 14.369 3.840) 15.243 11.635 ( -5.378 5.418 -1.967) 7.884 12.442 ( -12.562 -0.258 -20.059) 23.669 13.509 ( 3.802 -4.978 10.236) 12.000 14.529 ( 16.177 -5.122 -8.003) 18.761 15.018 ( 1.172 -1.776 8.085) 8.360 15.214 ( -4.569 -2.368 -6.706) 8.453 17.642 ( -3.839 -1.652 -12.054) 12.758 18.536 ( 23.090 1.863 6.974) 24.192 18.918 ( 11.278 -6.278 1.656) 13.013 19.372 ( 15.278 6.378 2.176) 16.698 21.249 ( 9.681 -2.275 26.543) 28.345 21.832 ( -28.774 -13.506 -36.082) 48.086 23.864 ( -6.161 5.436 -4.726) 9.479 24.030 ( 1.648 1.663 -0.730) 2.452 ======================= Grid point 297 (149/260) ======================= q-point: (-0.20 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -12.843 6.458 18.783) 23.652 2.127 ( -16.404 7.829 20.187) 27.164 3.077 ( -11.960 6.251 7.472) 15.426 3.459 ( 9.828 0.289 3.118) 10.315 3.864 ( 2.180 0.612 -2.132) 3.110 4.059 ( -2.528 8.454 3.305) 9.422 4.831 ( -6.580 3.372 4.608) 8.712 5.171 ( 2.034 -3.134 5.509) 6.656 5.545 ( -0.685 5.612 8.701) 10.377 5.642 ( -2.531 -4.879 8.937) 10.492 6.097 ( -5.710 -1.914 7.346) 9.499 6.388 ( -0.894 7.562 8.111) 11.126 7.026 ( -6.892 -2.451 1.339) 7.436 7.379 ( -0.027 3.678 -6.983) 7.893 7.544 ( -16.267 2.966 -9.967) 19.307 8.127 ( 9.663 -4.288 7.362) 12.882 8.521 ( 6.500 12.311 1.422) 13.994 8.963 ( -5.350 -4.604 6.769) 9.780 9.323 ( -13.924 3.680 -5.010) 15.249 10.030 ( -2.824 -1.482 17.230) 17.523 10.557 ( -3.095 5.606 -5.702) 8.575 11.203 ( -5.194 10.017 -0.837) 11.315 11.591 ( 0.557 8.337 -3.784) 9.173 12.195 ( -7.637 2.319 -18.085) 19.768 13.628 ( 5.669 -5.173 10.265) 12.817 14.793 ( 11.369 -4.042 -4.748) 12.967 15.028 ( -1.232 -4.631 2.273) 5.304 15.126 ( -2.169 -0.417 -7.792) 8.099 17.624 ( 3.976 -7.993 -6.985) 11.335 19.023 ( 22.916 -8.411 6.913) 25.371 19.146 ( 10.663 -2.993 -2.139) 11.279 19.693 ( 14.973 5.144 3.432) 16.200 21.103 ( -29.917 -10.935 -27.721) 42.227 21.455 ( 0.858 -0.521 21.341) 21.365 23.753 ( -3.541 9.560 -4.470) 11.131 24.045 ( 0.138 3.371 -1.049) 3.533 ======================= Grid point 298 (150/260) ======================= q-point: (-0.10 0.11 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -6.443 9.402 22.328) 25.069 1.939 ( -8.563 14.924 24.142) 29.646 2.959 ( -0.863 4.984 15.151) 15.973 3.657 ( 9.205 4.900 -2.244) 10.666 3.927 ( 0.831 2.219 8.489) 8.814 4.010 ( 0.449 5.893 5.715) 8.221 4.763 ( -1.895 -1.986 0.756) 2.848 5.099 ( -8.123 -1.622 7.520) 11.188 5.528 ( -1.366 -4.728 10.783) 11.853 5.731 ( 5.333 4.805 1.651) 7.366 6.007 ( -4.199 1.856 12.651) 13.458 6.393 ( -1.807 6.949 9.960) 12.278 6.707 ( -19.621 -3.472 0.078) 19.926 7.287 ( -5.287 5.427 7.955) 10.986 7.419 ( 2.058 8.845 -17.069) 19.335 8.310 ( 4.472 -2.725 7.855) 9.441 8.636 ( 3.917 9.626 -4.253) 11.229 8.888 ( -5.300 -3.711 -0.818) 6.522 9.111 ( -1.869 6.066 3.523) 7.259 10.092 ( 6.210 -3.335 12.327) 14.200 10.477 ( -4.388 0.904 -2.259) 5.017 11.102 ( -4.053 11.606 -6.504) 13.907 11.612 ( 2.846 5.855 -8.199) 10.470 12.077 ( -0.476 4.825 -14.460) 15.251 13.772 ( 6.686 -5.272 9.023) 12.406 14.865 ( -3.310 -2.108 -1.473) 4.192 15.056 ( 0.872 -2.127 4.081) 4.684 15.105 ( 5.445 -5.039 -16.058) 17.689 17.744 ( 7.733 -17.492 0.523) 19.132 19.067 ( -22.723 -13.862 -12.911) 29.583 19.425 ( 11.267 -1.195 1.092) 11.382 19.740 ( -7.369 -0.828 -5.361) 9.151 20.956 ( 27.753 -1.783 0.740) 27.820 21.425 ( -9.530 -0.012 17.562) 19.981 23.724 ( 1.693 13.588 -3.043) 14.027 24.030 ( -1.341 4.362 -2.170) 5.053 ======================= Grid point 299 (151/260) ======================= q-point: ( 0.00 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( 1.222 18.997 15.318) 24.434 2.240 ( 0.344 18.133 20.892) 27.666 3.154 ( 6.517 3.162 15.467) 17.080 3.931 ( 6.395 -0.384 7.617) 9.953 4.053 ( 1.697 8.279 -6.812) 10.854 4.200 ( -1.761 12.369 15.266) 19.727 4.607 ( -2.695 -9.030 5.243) 10.784 4.919 ( -8.716 0.872 2.253) 9.045 5.504 ( 5.251 -2.925 6.727) 9.021 5.819 ( 0.597 1.399 -6.419) 6.597 6.118 ( 1.643 3.747 10.531) 11.298 6.407 ( -5.587 4.518 8.080) 10.813 6.642 ( 3.337 3.788 4.166) 6.545 7.438 ( -0.657 13.958 13.087) 19.145 7.666 ( 2.515 11.579 -12.321) 17.094 8.315 ( -3.754 3.215 5.867) 7.672 8.723 ( -11.936 6.818 -5.747) 14.899 8.816 ( 7.135 -0.067 2.272) 7.489 9.398 ( 11.511 6.428 4.288) 13.864 10.155 ( -10.714 -8.360 -4.137) 14.206 10.407 ( 16.546 4.143 11.678) 20.672 11.159 ( 2.833 -4.862 -7.874) 9.678 11.951 ( 0.909 22.919 -13.730) 26.732 12.233 ( 4.366 8.358 -9.363) 13.289 13.763 ( 6.171 -9.837 6.541) 13.328 14.651 ( -7.884 -7.356 -6.497) 12.589 15.003 ( 1.872 -8.308 -11.572) 14.368 15.051 ( 3.854 -3.466 -0.694) 5.230 17.098 ( -21.095 -26.769 20.237) 39.637 18.394 ( -10.069 -5.447 -18.740) 21.960 19.475 ( -0.880 -1.986 1.687) 2.751 19.738 ( 1.721 1.407 -5.041) 5.509 21.151 ( -18.275 1.023 10.195) 20.951 21.570 ( 34.751 -9.478 1.648) 36.058 24.051 ( 3.698 7.505 -3.120) 8.929 24.131 ( -1.156 9.767 -4.310) 10.738 ======================= Grid point 300 (152/260) ======================= q-point: ( 0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -0.276 16.723 14.834) 22.356 2.412 ( 11.136 15.781 16.166) 25.188 3.347 ( 8.292 0.395 10.459) 13.353 4.004 ( 0.673 4.127 0.941) 4.286 4.035 ( -2.128 4.486 -1.078) 5.080 4.242 ( 2.117 2.017 16.088) 16.352 4.596 ( -0.913 -4.213 1.209) 4.477 4.782 ( -4.957 -4.088 5.139) 8.228 5.629 ( 5.088 0.280 8.063) 9.538 5.807 ( 0.140 8.580 -4.638) 9.754 6.144 ( -0.443 1.688 7.659) 7.855 6.403 ( 1.843 2.047 2.771) 3.907 6.741 ( 5.184 0.937 1.859) 5.586 7.475 ( 1.058 16.944 14.910) 22.595 7.675 ( 1.311 9.235 -8.647) 12.719 8.243 ( -4.532 9.223 5.380) 11.600 8.492 ( -8.908 9.845 -7.031) 15.024 8.982 ( 7.883 -3.121 8.146) 11.758 9.597 ( 4.084 3.760 3.885) 6.776 9.937 ( -4.779 -9.854 -8.106) 13.625 10.867 ( 24.547 9.222 10.854) 28.379 11.223 ( 5.325 -3.871 -11.017) 12.834 11.895 ( -3.134 17.799 -14.833) 23.380 12.376 ( 12.167 8.389 -9.248) 17.433 13.877 ( 3.320 -12.026 4.930) 13.415 14.459 ( -10.014 -9.348 -8.978) 16.379 14.940 ( -3.308 -0.847 -8.726) 9.371 15.172 ( 6.225 -9.125 -0.964) 11.088 16.666 ( -22.671 -13.311 22.080) 34.332 18.378 ( 8.968 -11.664 -6.473) 16.074 19.408 ( -6.346 -1.630 -0.080) 6.552 19.695 ( -5.120 1.231 -3.743) 6.461 20.747 ( -23.153 4.914 6.059) 24.432 22.239 ( 31.759 -16.933 -3.772) 36.188 23.995 ( -6.790 6.247 -3.779) 9.970 24.171 ( 4.061 8.604 -4.459) 10.507 ======================= Grid point 301 (153/260) ======================= q-point: ( 0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 5.284 11.671 13.865) 18.878 2.694 ( 13.374 11.196 13.026) 21.769 3.474 ( 2.501 0.841 2.961) 3.966 3.922 ( -6.056 3.741 -8.620) 11.179 4.021 ( -1.964 -0.417 4.233) 4.685 4.365 ( 7.047 -5.312 10.093) 13.407 4.543 ( -3.294 4.246 -3.814) 6.590 4.738 ( -2.966 -12.228 9.478) 15.753 5.722 ( 2.751 5.325 5.534) 8.157 5.860 ( 6.532 9.203 0.474) 11.295 6.151 ( -0.119 2.639 7.699) 8.140 6.442 ( 1.552 1.155 0.036) 1.935 6.806 ( 0.361 -0.547 -0.210) 0.688 7.529 ( 0.541 12.432 12.494) 17.633 7.688 ( 1.128 8.118 -4.007) 9.123 8.171 ( -3.812 14.750 5.744) 16.281 8.363 ( -2.993 13.975 -1.932) 14.421 9.148 ( 5.220 -6.303 13.247) 15.571 9.497 ( -7.355 -7.331 -3.416) 10.932 10.056 ( 13.338 0.212 -4.589) 14.107 11.270 ( 3.857 0.386 -10.396) 11.095 11.312 ( 11.965 14.986 6.014) 20.097 11.830 ( 3.543 10.963 -13.398) 17.670 12.636 ( 15.778 7.150 -9.269) 19.647 13.878 ( -5.343 -13.052 7.085) 15.782 14.219 ( -11.961 -10.965 -10.859) 19.525 14.863 ( -2.300 1.452 -5.283) 5.942 15.275 ( 4.189 -8.752 -0.223) 9.705 16.455 ( -2.167 -3.169 16.131) 16.581 18.602 ( 12.005 -18.567 0.471) 22.115 19.222 ( -12.408 -0.714 -1.755) 12.552 19.555 ( -6.703 0.589 -1.831) 6.974 20.319 ( -21.087 10.090 5.190) 23.946 22.767 ( 23.410 -18.644 -8.380) 31.078 23.811 ( -10.510 4.764 -4.980) 12.568 24.223 ( 2.001 5.538 -3.823) 7.021 ======================= Grid point 302 (154/260) ======================= q-point: ( 0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( 10.209 5.196 11.535) 16.257 2.980 ( 12.925 7.086 9.137) 17.341 3.455 ( -4.720 2.951 -0.261) 5.573 3.771 ( -6.634 2.890 -7.100) 10.138 3.937 ( -7.166 -3.227 -2.247) 8.174 4.448 ( -5.026 -11.136 4.093) 12.885 4.503 ( 1.077 2.902 -0.417) 3.123 4.734 ( 4.567 -11.429 0.379) 12.314 5.791 ( 3.563 6.579 2.230) 7.807 6.004 ( 4.907 4.791 4.681) 8.303 6.219 ( 6.839 7.378 8.237) 13.002 6.472 ( 1.671 2.918 1.298) 3.605 6.748 ( -6.049 1.213 1.484) 6.346 7.545 ( -1.832 5.514 13.116) 14.345 7.680 ( -0.667 6.955 -5.867) 9.124 8.094 ( -6.133 14.207 5.205) 16.326 8.394 ( 5.439 20.970 8.170) 23.153 9.146 ( -5.751 -13.811 3.293) 15.319 9.519 ( 8.314 -2.160 4.868) 9.874 10.325 ( 14.190 1.299 -2.834) 14.528 11.151 ( -10.753 -2.184 -10.703) 15.328 11.466 ( 4.776 25.033 -2.941) 25.654 12.008 ( 11.990 6.160 -2.847) 13.777 12.926 ( 15.586 4.924 -10.791) 19.587 13.711 ( -12.681 -9.283 11.847) 19.680 13.948 ( -12.709 -12.523 -12.325) 21.685 14.836 ( 0.094 1.770 -0.776) 1.935 15.330 ( 1.488 -8.373 -0.340) 8.511 16.640 ( 17.042 0.594 6.156) 18.130 18.741 ( -0.338 -15.069 -2.533) 15.284 18.937 ( -14.136 -0.589 -1.411) 14.218 19.502 ( 0.686 -1.351 1.188) 1.925 19.981 ( -12.901 11.131 9.945) 19.729 23.100 ( 11.683 -15.602 -16.258) 25.381 23.594 ( -8.557 0.246 -1.572) 8.703 24.233 ( -0.065 3.293 -3.613) 4.889 ======================= Grid point 303 (155/260) ======================= q-point: ( 0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 11.311 -0.403 8.116) 13.927 3.216 ( 8.559 3.325 0.846) 9.221 3.290 ( -11.605 3.659 -0.056) 12.169 3.657 ( -5.160 6.269 -12.286) 14.727 3.749 ( -8.564 -7.562 7.656) 13.752 4.304 ( -9.730 -9.696 7.011) 15.421 4.497 ( 0.790 0.981 -6.611) 6.730 4.897 ( 10.710 -14.503 -9.337) 20.303 5.854 ( 1.762 6.019 2.303) 6.681 6.052 ( -0.275 4.901 4.533) 6.682 6.409 ( 5.094 9.041 6.883) 12.453 6.518 ( 1.782 5.492 5.253) 7.806 6.632 ( -1.779 2.880 5.058) 6.086 7.519 ( -3.478 1.597 8.197) 9.047 7.662 ( 0.510 6.821 -0.461) 6.856 7.973 ( -6.807 10.802 6.522) 14.338 8.555 ( 7.149 23.217 10.949) 26.646 9.056 ( -3.029 -15.258 -0.956) 15.585 9.706 ( 7.498 0.142 6.575) 9.973 10.580 ( 11.931 2.285 -1.420) 12.230 10.874 ( -14.134 0.512 -6.908) 15.740 11.542 ( 4.255 23.031 -5.014) 23.951 12.156 ( 2.216 5.934 0.585) 6.361 13.145 ( 6.591 2.634 -15.239) 16.811 13.497 ( -10.154 -6.175 10.670) 15.971 13.707 ( -6.778 -12.837 -6.548) 15.925 14.854 ( 1.361 1.272 2.517) 3.132 15.332 ( -1.113 -7.939 -0.963) 8.075 17.092 ( 27.092 2.984 -0.405) 27.259 18.505 ( -17.215 -2.410 -7.855) 19.075 18.822 ( 0.330 -1.778 -0.004) 1.809 19.367 ( -14.973 5.563 -2.010) 16.099 20.032 ( 12.951 -3.303 21.523) 25.335 23.029 ( -12.255 -8.464 -25.087) 29.175 23.606 ( 7.924 -7.882 3.090) 11.595 24.205 ( -1.813 2.106 -3.939) 4.821 ======================= Grid point 304 (156/260) ======================= q-point: (-0.50 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 3.478 -3.194 5.059) 6.920 3.021 ( -14.015 6.049 1.549) 15.343 3.294 ( -1.917 -0.657 -7.429) 7.700 3.396 ( -11.055 -5.735 -5.377) 13.565 3.820 ( 8.403 2.829 10.615) 13.831 4.127 ( -8.866 -5.456 1.832) 10.571 4.539 ( 5.404 0.441 -5.333) 7.605 5.072 ( 9.416 -16.325 -12.524) 22.628 5.849 ( -3.998 6.171 4.297) 8.516 6.005 ( -5.648 8.373 1.714) 10.244 6.335 ( -7.763 6.259 10.555) 14.521 6.572 ( 1.556 5.327 7.395) 9.245 6.796 ( 11.214 6.757 5.973) 14.391 7.459 ( -2.718 2.583 -0.924) 3.862 7.712 ( 3.291 2.752 7.080) 8.278 7.878 ( -4.282 7.555 8.202) 11.945 8.679 ( 2.579 17.052 5.952) 18.244 9.023 ( -0.564 -10.383 1.409) 10.493 9.799 ( 0.273 -0.513 3.115) 3.169 10.594 ( -12.596 3.923 1.733) 13.306 10.770 ( 6.825 4.409 -3.863) 8.997 11.617 ( 4.297 21.379 -2.769) 21.982 12.098 ( -7.487 5.639 1.289) 9.461 13.024 ( -11.888 -1.113 -14.858) 19.061 13.368 ( -5.492 -5.688 5.216) 9.472 13.772 ( 12.214 -10.455 -2.258) 16.235 14.897 ( 2.171 0.673 3.820) 4.445 15.288 ( -2.812 -6.961 -1.599) 7.676 17.652 ( 29.342 5.420 -2.579) 29.950 18.158 ( -15.035 0.297 -10.894) 18.569 18.864 ( -0.770 6.558 1.363) 6.742 19.074 ( -8.031 0.950 -0.145) 8.088 20.414 ( 18.396 -7.776 25.420) 32.328 22.639 ( -20.133 -11.035 -27.441) 35.778 23.788 ( 8.952 -5.855 1.371) 10.785 24.145 ( -3.197 1.926 -4.943) 6.194 ======================= Grid point 305 (157/260) ======================= q-point: (-0.40 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -17.819 4.016 2.139) 18.391 2.815 ( -14.395 1.597 10.043) 17.624 3.159 ( -0.023 -3.669 -2.772) 4.598 3.370 ( 1.827 -3.084 -6.361) 7.302 3.936 ( -4.472 -4.032 7.613) 9.706 4.060 ( 7.048 7.088 -2.436) 10.288 4.693 ( 11.032 -0.638 -2.447) 11.318 5.199 ( 5.944 -13.284 -9.926) 17.615 5.667 ( -14.828 4.354 6.704) 16.845 5.897 ( -5.174 11.341 4.031) 13.101 6.238 ( -5.310 3.831 9.711) 11.712 6.596 ( -0.915 5.998 7.924) 9.980 7.006 ( 7.944 7.131 7.038) 12.786 7.426 ( -0.026 2.373 -4.917) 5.460 7.789 ( 2.062 -0.047 6.501) 6.820 7.854 ( -0.217 2.327 8.365) 8.685 8.679 ( -1.973 8.033 -1.949) 8.498 9.024 ( -0.790 -1.854 4.483) 4.916 9.740 ( -6.042 -1.114 2.198) 6.525 10.378 ( -11.064 6.808 9.927) 16.350 10.825 ( -0.003 6.274 -6.828) 9.273 11.656 ( -2.145 13.548 -4.765) 14.521 11.944 ( -5.602 12.824 4.908) 14.830 12.731 ( -13.265 -0.002 -14.282) 19.492 13.320 ( -0.777 -7.356 6.582) 9.901 14.054 ( 16.115 -10.880 -4.785) 20.024 14.947 ( 1.681 -0.725 3.792) 4.211 15.223 ( -3.183 -5.158 -2.412) 6.524 17.860 ( -11.203 2.171 -12.728) 17.095 18.205 ( 24.315 7.935 -1.751) 25.637 18.707 ( -6.495 -3.335 2.563) 7.738 19.202 ( 13.615 4.984 2.217) 14.667 20.831 ( 17.224 -6.707 27.290) 32.960 22.127 ( -25.198 -14.450 -30.324) 41.991 23.942 ( 5.823 -1.930 0.729) 6.178 24.067 ( -2.731 2.731 -6.290) 7.381 ======================= Grid point 306 (158/260) ======================= q-point: (-0.30 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -16.116 7.378 7.626) 19.296 2.531 ( -15.458 6.084 16.414) 23.353 3.250 ( 7.939 -2.037 1.358) 8.307 3.342 ( -4.350 0.289 -1.531) 4.621 3.880 ( -0.319 1.107 0.225) 1.173 4.193 ( 5.464 7.620 -3.784) 10.111 4.924 ( 11.293 -3.819 -0.274) 11.925 5.202 ( -8.260 6.692 1.110) 10.689 5.438 ( -4.721 -12.415 4.332) 13.971 5.802 ( -5.621 12.168 5.831) 14.617 6.150 ( -5.784 0.996 7.924) 9.861 6.581 ( -2.107 7.354 8.251) 11.252 7.106 ( -0.623 4.385 6.861) 8.167 7.432 ( 1.644 2.210 -3.008) 4.079 7.750 ( -6.442 -7.438 -6.733) 11.924 7.937 ( 6.406 5.166 13.035) 15.415 8.664 ( 2.718 8.691 -3.146) 9.634 8.984 ( -4.661 -0.404 3.556) 5.877 9.596 ( -9.189 0.666 3.590) 9.888 10.200 ( -9.825 7.715 15.254) 19.717 10.753 ( -5.066 4.729 -8.097) 10.658 11.485 ( -10.874 1.536 -7.160) 13.110 11.945 ( 1.975 24.463 4.657) 24.981 12.464 ( -10.253 3.074 -13.924) 17.563 13.364 ( 3.351 -8.885 7.987) 12.409 14.359 ( 16.060 -11.750 -6.846) 21.044 14.964 ( -1.157 -3.419 3.014) 4.702 15.161 ( -2.148 -2.318 -3.734) 4.892 17.625 ( -10.043 0.542 -8.813) 13.373 18.512 ( 8.798 -6.024 2.137) 10.875 18.841 ( 18.239 0.598 -1.342) 18.298 19.505 ( 15.557 6.009 2.994) 16.944 21.185 ( 11.199 -3.782 25.860) 28.433 21.524 ( -27.846 -14.645 -29.494) 43.125 23.955 ( -2.141 3.068 -5.459) 6.618 24.084 ( 4.049 3.096 -1.733) 5.384 ======================= Grid point 307 (159/260) ======================= q-point: (-0.20 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -7.699 13.949 16.735) 23.106 2.320 ( -9.928 10.303 20.579) 25.064 3.208 ( -8.504 5.513 4.308) 11.013 3.457 ( 11.834 -0.932 6.498) 13.533 3.921 ( 4.213 5.269 -3.568) 7.632 4.247 ( 1.111 8.815 -3.732) 9.637 4.935 ( -14.836 5.260 12.617) 20.173 5.088 ( 3.207 -3.334 -2.846) 5.432 5.449 ( 0.065 -11.153 3.163) 11.593 5.748 ( 0.691 10.497 4.175) 11.318 6.058 ( -4.947 -1.373 8.195) 9.671 6.564 ( -1.528 7.964 9.016) 12.127 6.969 ( -14.581 -2.492 4.100) 15.350 7.457 ( -1.006 3.690 8.937) 9.721 7.615 ( -0.930 4.125 -17.670) 18.169 8.129 ( 9.362 3.981 11.154) 15.096 8.780 ( 8.567 9.834 -0.364) 13.047 8.861 ( -7.672 -2.704 1.261) 8.231 9.397 ( -11.506 3.057 2.321) 12.129 10.087 ( -4.865 7.026 16.993) 19.021 10.608 ( -7.708 0.473 -7.114) 10.500 11.277 ( -7.880 -2.477 -5.859) 10.127 11.977 ( 0.523 25.796 -3.471) 26.034 12.283 ( -4.753 6.719 -11.828) 14.410 13.476 ( 5.806 -9.300 8.808) 14.063 14.638 ( 13.906 -12.023 -7.825) 19.979 14.911 ( -4.420 -5.595 0.371) 7.140 15.120 ( -1.359 -0.279 -4.739) 4.938 17.440 ( -7.459 -8.595 -0.180) 11.382 18.715 ( 10.507 -17.324 -2.525) 20.418 19.200 ( 16.827 4.687 -2.956) 17.716 19.759 ( 6.820 0.933 -0.988) 6.954 20.923 ( -18.613 -5.424 -18.027) 26.473 21.424 ( 3.087 -2.210 21.793) 22.121 23.922 ( 0.820 6.126 -6.360) 8.869 24.144 ( 2.209 5.579 -1.461) 6.175 ======================= Grid point 308 (160/260) ======================= q-point: (-0.10 0.22 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( -1.282 19.640 18.309) 26.881 2.242 ( -4.118 13.637 23.437) 27.426 3.089 ( -3.713 6.853 11.118) 13.578 3.719 ( 12.187 -0.748 9.267) 15.329 4.003 ( 4.651 7.900 -6.056) 10.987 4.229 ( -2.507 12.681 4.050) 13.546 4.710 ( -9.795 -2.860 9.694) 14.075 5.065 ( -5.316 -1.004 0.808) 5.470 5.433 ( -0.337 -4.724 6.489) 8.034 5.808 ( 2.662 1.357 -5.669) 6.408 6.040 ( 1.527 2.111 12.931) 13.191 6.555 ( -4.086 6.992 12.156) 14.606 6.658 ( -12.281 0.020 1.748) 12.405 7.438 ( -2.222 8.870 11.531) 14.717 7.630 ( 4.205 10.896 -15.803) 19.650 8.306 ( 4.561 2.439 8.596) 10.032 8.744 ( -2.123 -2.252 -0.672) 3.167 8.908 ( -0.848 7.858 -0.430) 7.916 9.234 ( -0.455 5.462 1.701) 5.739 10.114 ( 4.314 5.386 15.557) 17.019 10.423 ( -9.531 -4.716 -5.308) 11.885 11.165 ( -2.179 -4.751 -5.516) 7.599 11.959 ( 0.388 24.373 -11.645) 27.015 12.219 ( -0.017 9.309 -9.009) 12.955 13.620 ( 6.548 -9.187 8.302) 14.007 14.800 ( -6.280 -5.230 -2.153) 8.451 14.862 ( 10.656 -13.305 -8.613) 19.099 15.079 ( -1.666 0.206 -5.525) 5.774 17.319 ( -7.440 -21.232 10.458) 24.810 18.734 ( -10.587 -16.463 -17.903) 26.526 19.436 ( 6.279 1.607 -1.349) 6.621 19.717 ( -2.388 -1.372 -6.399) 6.967 20.944 ( 21.380 0.536 2.742) 21.562 21.416 ( -8.478 -0.747 15.811) 17.956 23.964 ( 4.572 8.523 -5.141) 10.954 24.160 ( -0.170 7.611 -2.287) 7.949 ======================= Grid point 309 (161/260) ======================= q-point: ( 0.00 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -1.686 12.795 12.814) 18.187 2.630 ( 3.129 19.380 17.823) 26.515 3.226 ( 3.439 3.154 15.072) 15.778 3.840 ( 5.691 -5.651 14.554) 16.618 4.227 ( -1.659 5.951 -8.557) 10.554 4.380 ( -3.206 -10.226 5.217) 11.919 4.554 ( -6.275 19.125 12.609) 23.751 4.991 ( -6.166 5.112 -3.610) 8.785 5.448 ( 7.716 -2.532 2.296) 8.439 5.745 ( 5.694 -8.220 -7.202) 12.323 6.195 ( 0.850 3.868 8.976) 9.811 6.537 ( -6.020 7.157 5.619) 10.910 6.663 ( 0.822 -1.379 4.988) 5.240 7.737 ( 3.754 13.011 16.753) 21.542 7.873 ( -0.261 8.957 -12.610) 15.470 8.394 ( -2.090 2.740 11.486) 11.992 8.762 ( 4.302 1.592 -4.610) 6.504 8.954 ( -3.197 9.181 3.698) 10.401 9.506 ( 12.199 3.649 0.236) 12.735 9.995 ( -16.488 -6.769 -7.216) 19.229 10.520 ( 17.588 6.234 15.351) 24.164 10.983 ( 1.946 -10.279 -0.665) 10.483 12.422 ( -3.404 20.613 -8.812) 22.675 12.443 ( 4.586 11.873 -7.156) 14.601 13.563 ( 5.560 -8.602 2.692) 10.590 14.413 ( -5.813 -16.979 -12.267) 21.738 14.780 ( 3.531 -7.966 -1.486) 8.839 15.054 ( 0.168 0.435 -8.281) 8.295 16.652 ( -16.593 -16.305 20.043) 30.706 18.263 ( -6.958 -6.248 -24.955) 26.649 19.443 ( -1.554 -1.044 1.588) 2.455 19.762 ( 2.311 0.850 -7.118) 7.532 21.175 ( -15.306 1.229 9.096) 17.847 21.418 ( 25.024 -5.504 4.414) 25.999 24.174 ( 2.437 4.928 -1.864) 5.805 24.284 ( -0.791 4.644 -3.740) 6.015 ======================= Grid point 310 (162/260) ======================= q-point: ( 0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -0.893 12.625 10.218) 16.266 2.747 ( 5.344 16.272 16.666) 23.897 3.374 ( 6.561 1.839 15.399) 16.839 3.937 ( 1.994 -5.652 7.539) 9.631 4.139 ( -4.846 3.534 -10.514) 12.104 4.274 ( -7.368 -9.436 12.606) 17.385 4.543 ( -0.133 10.138 10.212) 14.390 4.850 ( -6.436 6.023 -8.250) 12.074 5.623 ( 8.667 -0.380 4.984) 10.005 5.874 ( 7.898 -2.744 -5.669) 10.102 6.197 ( -1.426 4.109 6.103) 7.494 6.481 ( -1.300 4.829 4.026) 6.420 6.717 ( 3.135 -2.604 3.980) 5.697 7.805 ( -2.986 9.224 -7.228) 12.093 7.834 ( 1.337 10.972 14.441) 18.186 8.412 ( 1.453 4.112 8.269) 9.348 8.718 ( -3.212 12.009 -3.634) 12.952 9.014 ( 3.910 6.760 6.033) 9.868 9.586 ( -13.098 -4.860 -2.561) 14.203 9.824 ( 10.312 -0.996 -4.489) 11.291 11.014 ( 21.999 -1.186 9.422) 23.961 11.075 ( 12.410 -2.707 1.199) 12.759 12.287 ( -6.699 18.944 -9.546) 22.246 12.585 ( 9.978 10.745 -6.827) 16.174 13.643 ( 1.780 -9.746 1.652) 10.044 14.220 ( -10.306 -14.254 -12.705) 21.698 14.831 ( 1.734 -8.164 -3.895) 9.210 15.066 ( 2.862 -1.296 -5.289) 6.151 16.421 ( -10.354 -9.846 20.578) 25.052 18.165 ( 2.515 -8.476 -15.439) 17.791 19.382 ( -5.701 -0.912 0.197) 5.777 19.715 ( -5.333 0.698 -5.773) 7.890 20.844 ( -18.542 4.223 6.076) 19.964 21.946 ( 26.407 -11.379 0.868) 28.768 24.116 ( -7.419 5.290 -2.949) 9.577 24.287 ( 1.435 2.978 -3.158) 4.571 ======================= Grid point 311 (163/260) ======================= q-point: ( 0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 1.500 12.187 9.804) 15.713 2.912 ( 7.466 10.405 15.006) 19.728 3.504 ( 2.851 1.445 11.602) 12.034 3.971 ( 0.359 -4.756 -0.884) 4.850 3.983 ( -8.158 2.949 -9.352) 12.756 4.192 ( -4.208 -12.725 9.624) 16.500 4.546 ( -1.409 0.845 4.970) 5.234 4.708 ( -5.656 5.074 -11.065) 13.423 5.790 ( 6.827 2.221 6.378) 9.603 6.006 ( 6.129 2.285 -1.732) 6.767 6.216 ( 3.016 5.071 5.037) 7.758 6.491 ( 1.399 3.558 3.398) 5.115 6.775 ( 1.120 -2.237 3.413) 4.232 7.738 ( -4.082 7.681 4.496) 9.791 7.837 ( -2.260 6.084 3.269) 7.267 8.467 ( 0.085 11.337 4.781) 12.304 8.686 ( 1.646 15.291 2.956) 15.661 9.058 ( -3.565 -0.961 2.641) 4.539 9.363 ( -2.477 -4.481 0.945) 5.206 10.077 ( 13.838 1.162 -1.817) 14.005 11.131 ( 2.139 -8.723 -7.462) 11.677 11.627 ( 26.058 10.420 13.534) 31.157 12.140 ( -4.920 19.083 -11.390) 22.762 12.787 ( 11.601 6.128 -4.466) 13.860 13.632 ( -3.359 -10.123 2.246) 10.900 13.964 ( -12.702 -13.558 -12.681) 22.494 14.840 ( 0.560 -3.696 -3.457) 5.092 15.125 ( 3.415 -4.661 -2.690) 6.374 16.394 ( 4.244 -2.504 15.116) 15.899 18.270 ( 9.739 -13.050 -7.509) 17.932 19.209 ( -11.827 -0.544 -1.447) 11.927 19.564 ( -7.389 0.358 -2.921) 7.954 20.506 ( -17.215 7.797 5.584) 19.706 22.423 ( 22.208 -14.147 -3.112) 26.515 23.902 ( -13.020 3.745 -5.181) 14.504 24.296 ( 0.045 1.966 -2.374) 3.082 ======================= Grid point 312 (164/260) ======================= q-point: ( 0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 4.390 8.950 9.443) 13.731 3.093 ( 7.560 4.791 10.090) 13.488 3.533 ( -2.174 2.567 7.120) 7.875 3.797 ( -9.005 0.937 -2.803) 9.477 3.895 ( -7.883 -2.976 -6.797) 10.826 4.148 ( -1.621 -12.731 2.088) 13.003 4.528 ( 0.192 -6.759 -12.721) 14.407 4.591 ( -3.137 1.432 -4.382) 5.576 5.919 ( 5.066 4.827 5.523) 8.914 6.098 ( 3.039 3.883 3.845) 6.252 6.355 ( 9.536 5.949 4.707) 12.185 6.554 ( 4.142 5.133 4.338) 7.894 6.758 ( -3.893 -0.075 4.835) 6.208 7.643 ( -7.295 3.758 13.942) 16.178 7.814 ( 0.181 5.857 -4.697) 7.510 8.364 ( -9.768 9.644 3.469) 14.158 8.793 ( 2.274 6.291 2.363) 7.095 8.950 ( 0.360 6.451 -1.066) 6.548 9.500 ( 10.557 -0.236 9.460) 14.178 10.343 ( 13.523 0.470 0.284) 13.534 11.065 ( -6.731 -5.698 -10.062) 13.379 11.991 ( 3.721 25.024 3.594) 25.553 12.133 ( 10.318 6.162 -1.798) 12.152 13.006 ( 11.450 1.162 -2.689) 11.819 13.530 ( -7.524 -7.743 4.742) 11.792 13.672 ( -13.871 -13.233 -12.266) 22.759 14.849 ( 1.068 -0.675 -1.381) 1.871 15.170 ( 1.536 -6.232 -1.860) 6.682 16.662 ( 19.929 1.459 6.421) 20.989 18.454 ( 8.727 -11.985 -4.867) 15.604 18.933 ( -14.478 -0.061 -2.165) 14.639 19.474 ( -1.044 -1.244 1.319) 2.092 20.194 ( -15.933 9.126 7.745) 19.929 22.782 ( 14.604 -14.080 -9.416) 22.365 23.611 ( -13.963 0.851 -4.059) 14.566 24.279 ( -1.153 1.414 -2.847) 3.382 ======================= Grid point 313 (165/260) ======================= q-point: ( 0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( 5.531 3.351 7.605) 9.982 3.228 ( 3.992 0.338 1.130) 4.163 3.428 ( -9.478 6.403 1.325) 11.514 3.574 ( -15.638 -7.589 -0.182) 17.383 3.762 ( -0.561 1.134 0.175) 1.277 4.115 ( -1.432 -4.465 -4.534) 6.523 4.469 ( -0.753 -6.063 -14.444) 15.683 4.618 ( 5.682 -10.570 -9.586) 15.359 6.012 ( 2.787 7.194 5.101) 9.249 6.149 ( 1.195 5.123 6.024) 7.998 6.540 ( 4.691 3.865 4.298) 7.444 6.655 ( -5.509 4.590 7.448) 10.339 6.695 ( 9.002 5.918 6.869) 12.776 7.544 ( -5.527 0.940 11.736) 13.006 7.802 ( -0.993 6.403 -1.008) 6.557 8.168 ( -10.318 5.286 6.347) 13.217 8.736 ( -2.468 -7.203 -9.355) 12.062 9.096 ( 8.026 21.649 7.142) 24.168 9.715 ( 7.668 0.211 7.732) 10.891 10.609 ( 13.001 0.699 2.652) 13.287 10.860 ( -10.782 -2.086 -6.611) 12.819 12.006 ( 0.764 20.733 -7.168) 21.950 12.286 ( 1.713 7.621 7.740) 10.996 13.200 ( 5.324 1.382 -4.754) 7.271 13.369 ( -8.273 -7.927 5.605) 12.755 13.409 ( -7.765 -13.133 -7.346) 16.933 14.875 ( 1.597 0.463 -0.019) 1.662 15.177 ( -0.315 -6.267 -1.633) 6.484 17.165 ( 29.601 3.854 -0.525) 29.856 18.440 ( -11.385 -3.651 -7.937) 14.350 18.801 ( 5.183 -0.336 0.102) 5.194 19.440 ( -8.157 1.307 -0.670) 8.288 20.008 ( -1.179 1.083 18.002) 18.073 22.819 ( -9.912 -10.812 -22.878) 27.176 23.484 ( 4.085 -4.031 4.810) 7.488 24.239 ( -2.127 1.193 -4.203) 4.860 ======================= Grid point 314 (166/260) ======================= q-point: (-0.50 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.759 ( 1.354 -2.158 5.232) 5.819 3.170 ( -11.072 6.971 -2.342) 13.292 3.243 ( -15.176 -6.487 -2.299) 16.664 3.303 ( -0.191 1.069 -1.654) 1.979 3.815 ( 2.438 -3.856 7.859) 9.087 4.106 ( 3.229 4.674 -7.592) 9.482 4.482 ( 5.341 -7.247 -10.127) 13.550 4.725 ( 7.619 -15.138 -14.476) 22.289 6.017 ( -4.768 8.637 5.587) 11.338 6.168 ( -0.819 6.447 4.543) 7.929 6.461 ( -8.635 6.296 9.838) 14.526 6.663 ( 1.339 3.024 7.330) 8.042 6.937 ( 11.907 7.015 6.802) 15.403 7.483 ( -2.999 0.116 6.627) 7.274 7.770 ( -2.310 3.128 0.369) 3.906 8.013 ( -7.225 2.675 11.404) 13.762 8.691 ( -0.011 -5.678 -9.677) 11.220 9.219 ( 2.664 19.572 2.691) 19.935 9.795 ( -1.052 -0.216 5.494) 5.598 10.662 ( -8.411 2.168 3.167) 9.245 10.840 ( 8.945 2.521 1.434) 9.404 11.959 ( -5.489 8.676 -9.354) 13.889 12.289 ( -0.326 15.777 9.016) 18.174 13.022 ( -12.701 0.475 -7.100) 14.559 13.250 ( -6.292 -5.351 0.661) 8.286 13.513 ( 12.113 -14.488 1.241) 18.925 14.906 ( 1.408 -0.125 0.163) 1.423 15.158 ( -1.012 -4.916 -1.628) 5.276 17.771 ( 31.327 5.730 -4.341) 32.141 18.157 ( -12.043 -0.491 -10.151) 15.758 18.992 ( 8.167 5.420 1.073) 9.861 19.113 ( -17.777 2.836 -0.020) 18.002 20.245 ( 16.433 -8.108 25.189) 31.149 22.407 ( -22.890 -10.609 -26.464) 36.562 23.681 ( 11.713 -4.264 4.362) 13.206 24.177 ( -2.899 1.136 -6.142) 6.886 ======================= Grid point 315 (167/260) ======================= q-point: (-0.40 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -11.453 0.218 2.866) 11.809 2.923 ( -13.801 6.846 8.305) 17.502 3.091 ( 1.526 -2.378 -4.081) 4.964 3.319 ( 1.203 -1.653 -0.684) 2.156 3.858 ( 1.578 -2.048 3.599) 4.432 4.215 ( 8.204 7.447 -6.173) 12.684 4.627 ( 10.866 -6.734 -7.409) 14.775 4.839 ( 7.492 -17.665 -14.030) 23.770 5.828 ( -15.341 8.956 7.266) 19.193 6.131 ( -3.845 7.906 2.469) 9.132 6.338 ( -6.897 7.506 11.671) 15.496 6.687 ( -0.657 2.355 7.983) 8.349 7.150 ( 7.014 6.454 7.686) 12.244 7.451 ( -1.519 0.232 3.822) 4.120 7.706 ( -3.686 -3.085 -3.698) 6.065 7.958 ( -1.148 2.424 15.824) 16.050 8.688 ( 1.748 -1.989 -7.931) 8.361 9.205 ( -3.445 13.365 -4.183) 14.421 9.737 ( -5.721 0.672 10.012) 11.551 10.528 ( -7.589 7.110 10.484) 14.767 10.930 ( -0.004 4.159 -2.331) 4.768 11.734 ( -13.976 -2.033 -8.357) 16.410 12.367 ( 5.411 24.052 7.549) 25.783 12.774 ( -10.618 3.913 -7.517) 13.586 13.160 ( -2.857 -7.713 2.220) 8.519 13.771 ( 13.918 -16.591 -1.151) 21.686 14.920 ( -0.347 -2.042 0.193) 2.080 15.138 ( -0.391 -2.545 -2.448) 3.553 17.912 ( -7.969 2.684 -11.700) 14.408 18.373 ( 25.730 7.761 -6.810) 27.724 18.633 ( -19.325 -3.492 2.754) 19.830 19.311 ( 15.409 5.269 3.466) 16.649 20.673 ( 19.682 -8.099 27.668) 34.907 21.857 ( -26.251 -11.002 -27.398) 39.507 23.907 ( 9.707 -1.350 2.548) 10.126 24.105 ( -2.178 1.059 -7.974) 8.334 ======================= Grid point 316 (168/260) ======================= q-point: (-0.30 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( -8.484 8.730 8.202) 14.679 2.697 ( -11.344 9.088 11.619) 18.609 3.199 ( 8.242 -3.324 3.787) 9.660 3.324 ( -1.362 -1.853 2.521) 3.413 3.934 ( 6.155 4.947 -0.590) 7.919 4.342 ( 5.479 6.446 -8.037) 11.669 4.822 ( 9.035 -5.750 -7.703) 13.192 4.981 ( 10.487 -18.871 -7.422) 22.829 5.498 ( -19.121 9.551 8.788) 23.110 6.029 ( -6.944 5.381 0.848) 8.826 6.222 ( -7.803 8.568 12.531) 17.068 6.680 ( -1.752 1.659 7.791) 8.156 7.172 ( -7.572 1.240 6.462) 10.031 7.471 ( 2.660 3.197 9.871) 10.712 7.650 ( 0.922 -0.888 -10.177) 10.258 8.037 ( 5.084 1.511 15.164) 16.065 8.720 ( 2.783 -0.524 -5.806) 6.460 9.102 ( -4.915 8.892 -4.942) 11.298 9.620 ( -9.121 1.587 11.888) 15.067 10.399 ( -8.216 10.796 14.019) 19.508 10.837 ( -7.975 3.747 -5.923) 10.617 11.427 ( -14.584 -6.006 -6.274) 16.974 12.482 ( 3.626 25.860 2.618) 26.244 12.579 ( -6.970 8.167 -7.145) 12.896 13.162 ( 2.551 -10.296 3.925) 11.310 14.045 ( 14.386 -18.654 -4.647) 24.011 14.890 ( -2.740 -3.395 0.724) 4.422 15.129 ( 0.099 -0.842 -4.419) 4.499 17.681 ( -15.620 5.080 -6.079) 17.515 18.314 ( -3.928 -11.881 -1.888) 12.655 18.914 ( 23.705 4.828 -5.359) 24.778 19.603 ( 12.401 3.283 2.448) 13.060 21.097 ( 15.686 -4.739 26.907) 31.504 21.284 ( -24.584 -8.055 -24.147) 35.388 24.006 ( 0.496 2.257 -5.999) 6.429 24.127 ( 6.203 0.771 -1.884) 6.528 ======================= Grid point 317 (169/260) ======================= q-point: (-0.20 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 0.251 15.368 16.790) 22.762 2.539 ( -7.814 11.868 13.852) 19.844 3.274 ( -4.422 0.468 5.810) 7.316 3.408 ( 10.708 -3.994 11.545) 16.245 4.082 ( 8.704 10.161 -4.082) 13.988 4.386 ( 1.480 4.231 -8.725) 9.809 4.908 ( -1.037 -4.820 1.302) 5.099 5.173 ( -8.748 6.405 0.878) 10.878 5.188 ( 5.899 -11.321 -0.502) 12.775 5.872 ( -8.400 -1.478 -1.953) 8.750 6.119 ( -4.626 9.362 14.070) 17.522 6.661 ( -1.964 0.869 8.287) 8.561 6.955 ( -13.739 1.330 4.654) 14.567 7.554 ( 2.120 6.594 15.088) 16.601 7.713 ( 7.727 4.953 -13.372) 16.218 8.206 ( 8.292 0.521 13.011) 15.438 8.730 ( -2.065 -2.970 -3.491) 5.027 9.043 ( 1.207 9.621 -2.099) 9.921 9.436 ( -11.280 0.726 7.988) 13.841 10.293 ( -5.397 11.886 15.571) 20.319 10.615 ( -12.457 0.970 -7.934) 14.801 11.164 ( -10.711 -7.931 -2.719) 13.602 12.432 ( -3.257 13.054 -11.403) 17.636 12.546 ( -0.008 22.323 1.163) 22.354 13.270 ( 6.783 -9.942 4.774) 12.948 14.296 ( 12.242 -20.570 -8.259) 25.322 14.823 ( -4.089 -3.096 0.955) 5.217 15.114 ( -0.465 -0.294 -6.647) 6.670 17.308 ( -20.235 -4.001 5.342) 21.307 18.378 ( 8.386 -14.514 -11.603) 20.386 19.302 ( 16.715 5.008 -5.710) 18.359 19.738 ( -0.259 -2.511 -4.566) 5.217 20.878 ( -8.384 0.224 -9.657) 12.790 21.376 ( 5.571 -2.237 21.840) 22.650 24.016 ( 3.039 3.413 -7.165) 8.499 24.236 ( 4.501 2.953 -0.923) 5.461 ======================= Grid point 318 (170/260) ======================= q-point: (-0.10 0.33 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -4.174 13.756 14.362) 20.321 2.510 ( 4.462 17.983 20.503) 27.634 3.203 ( -3.595 3.325 10.055) 11.184 3.648 ( 9.884 -5.162 15.776) 19.319 4.214 ( 5.064 10.484 -7.092) 13.632 4.387 ( 0.677 -0.040 -4.327) 4.380 4.739 ( -13.944 8.594 15.270) 22.393 5.080 ( -1.621 2.828 -4.938) 5.916 5.321 ( 5.466 -6.488 -0.047) 8.483 5.732 ( -3.416 -8.417 -5.690) 10.719 6.130 ( 1.938 6.456 12.443) 14.152 6.642 ( -2.775 0.752 12.080) 12.418 6.714 ( -10.054 4.985 0.439) 11.231 7.634 ( 2.722 9.943 15.668) 18.755 7.839 ( 6.588 8.834 -12.132) 16.390 8.382 ( 4.346 2.881 10.681) 11.886 8.663 ( -0.049 -3.356 -1.562) 3.702 9.074 ( -3.861 6.978 2.311) 8.303 9.315 ( 3.116 2.117 0.782) 3.847 10.292 ( 1.946 11.023 16.614) 20.032 10.327 ( -14.307 -3.889 -8.543) 17.111 11.008 ( -4.606 -9.485 -0.361) 10.551 12.386 ( 1.508 14.550 -11.403) 18.548 12.515 ( -2.833 19.846 -2.756) 20.235 13.424 ( 7.434 -8.666 4.059) 12.118 14.456 ( 5.243 -22.050 -11.592) 25.457 14.754 ( -1.960 -2.478 0.957) 3.302 15.083 ( -0.792 0.056 -8.336) 8.374 16.953 ( -18.219 -13.614 14.231) 26.829 18.438 ( -1.023 -11.850 -24.043) 26.824 19.474 ( -0.197 1.888 -2.408) 3.066 19.688 ( 3.713 -1.326 -7.592) 8.555 20.967 ( 15.639 1.392 4.272) 16.272 21.400 ( -7.180 -0.735 14.519) 16.214 24.091 ( 5.457 4.478 -4.701) 8.481 24.291 ( 1.343 4.460 -1.880) 5.023 ======================= Grid point 319 (171/260) ======================= q-point: ( 0.00 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.612 ( -1.364 4.551 10.369) 11.405 2.977 ( 0.478 12.140 14.151) 18.651 3.254 ( 4.562 -0.616 16.203) 16.844 3.736 ( 5.856 -3.747 20.752) 21.886 4.152 ( -8.504 -5.706 11.310) 15.258 4.356 ( -4.593 2.135 -14.053) 14.938 4.922 ( -3.760 13.883 4.092) 14.954 5.084 ( -9.122 2.632 -2.702) 9.871 5.411 ( 12.242 -0.063 -2.854) 12.570 5.532 ( 9.932 -10.594 -3.370) 14.908 6.264 ( -0.433 2.250 6.317) 6.720 6.606 ( -1.240 -1.730 14.584) 14.738 6.663 ( -5.135 2.879 -3.384) 6.790 7.894 ( 0.577 2.920 4.516) 5.409 8.073 ( 5.108 8.900 2.683) 10.607 8.364 ( -7.426 -4.556 13.686) 16.224 8.833 ( 13.168 3.453 -8.833) 16.228 9.116 ( -0.280 5.326 8.675) 10.183 9.541 ( 13.764 0.100 -2.983) 14.084 9.894 ( -19.667 -2.722 -7.381) 21.182 10.639 ( 9.953 5.056 13.367) 17.416 10.792 ( 4.701 -7.269 7.073) 11.179 12.674 ( 1.744 9.077 -2.856) 9.674 12.724 ( -2.954 6.468 -1.780) 7.330 13.471 ( 4.642 0.609 -4.294) 6.353 14.033 ( -0.893 -15.516 -15.049) 21.634 14.692 ( -0.168 -1.669 0.067) 1.679 15.057 ( 0.481 -0.004 -10.536) 10.547 16.432 ( -14.869 -5.295 18.349) 24.203 18.168 ( -4.845 -2.550 -28.519) 29.039 19.430 ( -1.999 -0.285 1.493) 2.511 19.773 ( 2.507 0.263 -8.298) 8.673 21.197 ( -14.156 0.722 8.286) 16.419 21.341 ( 20.346 -1.975 6.144) 21.345 24.249 ( 3.756 2.159 -1.970) 4.759 24.334 ( -2.569 0.777 -2.150) 3.439 ======================= Grid point 320 (172/260) ======================= q-point: ( 0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( -0.108 4.597 6.820) 8.226 3.031 ( 1.687 9.272 16.347) 18.869 3.408 ( 5.998 1.217 17.412) 18.456 3.846 ( 1.089 -2.580 14.403) 14.673 4.021 ( -7.038 -8.577 12.391) 16.632 4.208 ( -6.810 1.194 -14.003) 15.617 4.785 ( -9.014 8.581 -1.643) 12.553 4.941 ( -5.819 2.150 -5.943) 8.591 5.641 ( 11.147 2.766 2.949) 11.858 5.756 ( 11.822 -6.855 -0.358) 13.671 6.271 ( 0.729 2.158 1.582) 2.773 6.556 ( -3.580 1.674 8.119) 9.030 6.672 ( 3.173 -1.009 2.658) 4.260 7.880 ( -0.766 1.554 -6.687) 6.908 8.080 ( -8.330 8.904 16.802) 20.760 8.382 ( 8.205 -4.636 7.614) 12.116 8.943 ( 1.664 7.510 -6.690) 10.195 9.190 ( 2.890 7.058 7.254) 10.525 9.480 ( -18.841 -3.989 -4.666) 19.816 9.823 ( 14.207 0.010 -2.641) 14.450 10.848 ( 7.661 -6.152 4.385) 10.760 11.144 ( 27.720 2.409 12.563) 30.529 12.620 ( -4.335 11.127 -1.706) 12.063 12.753 ( 3.949 4.432 -2.282) 6.360 13.515 ( 0.935 -2.240 -5.687) 6.183 13.916 ( -6.893 -12.011 -15.432) 20.734 14.712 ( 2.149 -2.796 -0.861) 3.630 15.056 ( 1.669 -0.201 -8.895) 9.053 16.282 ( -4.456 -3.510 18.935) 19.766 18.045 ( -0.264 -2.991 -20.507) 20.725 19.370 ( -5.495 -0.281 0.523) 5.527 19.724 ( -5.330 0.200 -7.125) 8.900 20.908 ( -15.772 1.757 5.897) 16.929 21.784 ( 22.624 -4.117 3.450) 23.253 24.199 ( -8.636 2.483 -3.468) 9.632 24.312 ( 1.114 0.062 -1.162) 1.611 ======================= Grid point 321 (173/260) ======================= q-point: ( 0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 1.901 5.014 5.519) 7.695 3.114 ( 2.506 7.674 17.403) 19.184 3.523 ( 0.947 0.417 15.981) 16.015 3.856 ( -3.357 -6.020 7.169) 9.945 3.941 ( -2.604 -6.667 6.294) 9.531 4.044 ( -6.218 1.685 -11.738) 13.389 4.615 ( -6.804 3.127 -9.673) 12.233 4.776 ( -8.992 1.334 -10.538) 13.917 5.853 ( 8.752 4.374 6.090) 11.525 5.958 ( 8.298 -5.028 5.189) 11.003 6.330 ( 5.769 3.996 -1.984) 7.293 6.549 ( 1.041 1.205 7.955) 8.113 6.739 ( 2.332 -0.734 3.352) 4.149 7.844 ( -3.924 2.674 1.102) 4.875 7.928 ( -7.024 2.511 8.747) 11.496 8.555 ( 2.320 -0.730 5.213) 5.753 8.910 ( -2.665 6.286 -7.071) 9.829 9.138 ( -5.622 4.545 -2.993) 7.824 9.322 ( 4.075 0.173 11.578) 12.276 10.090 ( 13.119 0.118 0.264) 13.122 10.972 ( 3.857 -5.132 -3.241) 7.192 11.757 ( 28.514 2.916 12.109) 31.116 12.537 ( -3.248 16.827 -2.258) 17.286 12.826 ( 3.473 -3.332 0.074) 4.814 13.487 ( -2.136 -3.717 -6.073) 7.433 13.713 ( -9.978 -8.435 -13.216) 18.584 14.763 ( 3.086 -2.411 -1.282) 4.120 15.076 ( 1.907 -0.903 -6.383) 6.722 16.359 ( 8.625 -0.880 14.818) 17.168 18.086 ( 8.142 -4.610 -12.352) 15.496 19.201 ( -11.628 -0.208 -1.179) 11.690 19.569 ( -7.768 0.111 -3.668) 8.591 20.622 ( -14.993 3.108 5.430) 16.246 22.216 ( 20.640 -5.431 -0.069) 21.343 23.956 ( -14.789 1.384 -5.706) 15.912 24.317 ( -0.360 0.350 -0.988) 1.109 ======================= Grid point 322 (174/260) ======================= q-point: ( 0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 2.014 5.082 5.639) 7.854 3.200 ( 2.158 5.148 14.779) 15.798 3.527 ( -3.099 -2.598 11.127) 11.839 3.701 ( -11.850 -7.376 2.899) 14.256 3.897 ( -4.858 3.719 -9.053) 10.926 4.002 ( 4.663 -3.576 -2.012) 6.212 4.471 ( -4.933 0.660 -16.987) 17.701 4.569 ( -8.086 -2.669 -13.376) 15.857 5.996 ( 4.842 2.717 8.304) 9.989 6.129 ( 7.344 -0.469 7.985) 10.859 6.468 ( 7.785 4.125 -1.632) 8.960 6.629 ( 4.767 1.040 8.051) 9.415 6.765 ( -0.379 1.019 4.506) 4.635 7.696 ( -10.237 1.353 15.529) 18.649 7.904 ( 1.187 2.505 -3.268) 4.286 8.408 ( -13.844 -2.585 1.858) 14.206 8.803 ( -5.034 2.239 -12.742) 13.882 9.259 ( 13.054 11.555 3.380) 17.758 9.485 ( 8.443 -1.520 14.374) 16.739 10.344 ( 12.649 -0.216 3.837) 13.220 10.956 ( -4.081 -3.652 -8.586) 10.184 12.219 ( 14.232 2.766 7.305) 16.235 12.493 ( -0.406 22.123 -0.056) 22.127 12.891 ( 3.168 -13.229 3.346) 14.009 13.412 ( -3.855 -3.158 -6.612) 8.280 13.480 ( -10.915 -4.306 -7.586) 13.973 14.821 ( 2.978 -1.271 -1.276) 3.481 15.093 ( 1.057 -1.550 -4.368) 4.754 16.689 ( 22.189 0.912 7.021) 23.291 18.278 ( 12.256 -4.639 -6.987) 14.851 18.932 ( -14.001 -0.015 -2.507) 14.224 19.456 ( -2.737 -0.471 1.204) 3.026 20.331 ( -16.365 3.710 6.776) 18.097 22.570 ( 14.855 -5.707 -5.848) 16.954 23.622 ( -16.392 0.252 -5.120) 17.175 24.296 ( -1.329 0.386 -2.215) 2.612 ======================= Grid point 323 (175/260) ======================= q-point: ( 0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 0.223 2.875 5.232) 5.973 3.245 ( -1.189 1.169 8.604) 8.764 3.448 ( -11.300 -4.194 2.851) 12.386 3.463 ( -7.200 -2.010 0.765) 7.515 3.803 ( -2.020 4.949 -6.176) 8.168 4.089 ( 4.358 -2.876 -5.637) 7.683 4.347 ( -2.268 0.088 -18.875) 19.011 4.455 ( 0.214 -7.216 -13.627) 15.421 6.102 ( 3.740 1.886 9.651) 10.521 6.250 ( 2.343 3.267 8.173) 9.108 6.593 ( 4.234 1.406 0.142) 4.464 6.684 ( -2.816 0.363 8.774) 9.222 6.837 ( 8.851 4.692 5.665) 11.509 7.559 ( -6.807 0.494 12.960) 14.647 7.912 ( -0.982 3.905 2.792) 4.900 8.137 ( -13.218 -4.970 3.131) 14.464 8.697 ( -1.895 1.410 -16.347) 16.516 9.490 ( 7.950 14.741 5.174) 17.529 9.683 ( 7.252 -4.313 9.056) 12.377 10.611 ( 13.212 -0.253 6.994) 14.951 10.808 ( -7.586 -1.952 -6.241) 10.015 12.274 ( -6.601 4.811 -5.088) 9.623 12.563 ( 4.901 19.380 7.517) 21.357 12.978 ( 4.234 -19.542 4.282) 20.449 13.269 ( -8.519 0.508 -1.660) 8.695 13.308 ( -5.664 -2.046 -4.857) 7.736 14.868 ( 1.932 -0.712 -1.041) 2.307 15.098 ( 0.525 -1.516 -3.476) 3.828 17.231 ( 31.251 1.969 -0.564) 31.318 18.376 ( -6.229 -1.939 -7.415) 9.876 18.801 ( 6.852 0.123 -0.300) 6.860 19.440 ( -2.744 -0.513 1.478) 3.158 20.048 ( -11.651 1.680 14.411) 18.607 22.644 ( -8.036 -4.966 -19.696) 21.844 23.432 ( 1.256 -1.197 4.010) 4.369 24.255 ( -2.173 0.391 -4.281) 4.817 ======================= Grid point 324 (176/260) ======================= q-point: (-0.50 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -2.353 -0.764 4.473) 5.112 3.136 ( -9.193 -2.846 -2.352) 9.907 3.261 ( -8.632 2.193 -0.977) 8.959 3.346 ( -4.179 0.772 3.875) 5.751 3.804 ( 2.871 4.271 -1.620) 5.395 4.153 ( 4.496 -6.516 -5.284) 9.518 4.340 ( 5.611 2.389 -16.461) 17.554 4.496 ( 6.426 -8.588 -14.931) 18.384 6.160 ( -1.804 4.584 8.074) 9.457 6.240 ( -4.635 0.643 8.133) 9.382 6.592 ( -3.463 5.935 6.196) 9.253 6.677 ( 0.059 -1.775 6.815) 7.043 7.059 ( 10.929 3.770 5.802) 12.936 7.491 ( -2.790 0.811 8.571) 9.050 7.830 ( -8.680 2.584 0.796) 9.091 7.959 ( -5.636 -5.207 13.027) 15.119 8.661 ( 2.130 0.966 -17.191) 17.349 9.563 ( -1.633 12.180 -4.927) 13.240 9.764 ( -0.515 -3.303 11.311) 11.794 10.680 ( -4.234 -0.001 6.088) 7.415 10.874 ( 10.327 0.851 3.973) 11.098 12.036 ( -15.392 1.211 -6.007) 16.567 12.677 ( 5.846 19.396 5.021) 20.870 12.988 ( -4.590 -7.120 -2.558) 8.849 13.170 ( -6.814 -1.930 -1.105) 7.168 13.226 ( 4.324 -10.120 4.742) 11.983 14.888 ( 0.321 -1.035 -0.537) 1.210 15.103 ( 0.903 -0.821 -3.800) 3.991 17.865 ( 32.971 2.831 -5.563) 33.556 18.141 ( -10.952 -0.740 -9.715) 14.659 19.073 ( 16.126 2.209 2.310) 16.439 19.169 ( -23.917 1.826 -1.739) 24.050 20.114 ( 12.733 -3.787 25.516) 28.766 22.244 ( -23.325 -4.484 -25.176) 34.612 23.621 ( 12.986 -1.488 5.556) 14.202 24.192 ( -2.908 0.344 -6.784) 7.389 ======================= Grid point 325 (177/260) ======================= q-point: (-0.40 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.670 ( -4.307 0.438 5.059) 6.658 2.995 ( -4.845 0.365 -1.045) 4.970 3.081 ( -6.862 0.518 -0.286) 6.888 3.312 ( -1.719 0.526 6.456) 6.702 3.905 ( 7.740 6.313 -0.715) 10.014 4.267 ( 7.735 -7.745 -2.827) 11.306 4.466 ( 10.374 0.279 -15.035) 18.268 4.601 ( 7.349 -7.093 -16.518) 19.421 5.987 ( -15.441 5.463 7.451) 17.994 6.176 ( -5.150 -1.158 5.716) 7.780 6.538 ( -4.266 9.388 8.197) 13.173 6.677 ( -1.927 -3.506 8.076) 9.013 7.232 ( 2.944 1.217 6.459) 7.202 7.486 ( 1.053 3.223 5.310) 6.301 7.679 ( -4.001 -0.255 -1.341) 4.228 7.921 ( -2.431 -3.849 17.868) 18.439 8.689 ( 4.060 1.144 -14.087) 14.705 9.418 ( -8.796 5.882 -12.698) 16.529 9.754 ( -4.447 0.575 18.066) 18.614 10.638 ( -3.130 2.953 11.274) 12.067 10.996 ( 0.799 1.941 1.443) 2.547 11.675 ( -19.313 -2.290 -5.938) 20.335 12.827 ( 7.688 16.722 2.522) 18.577 12.870 ( -5.060 5.311 -2.971) 7.915 13.036 ( -6.165 -1.791 0.298) 6.426 13.393 ( 10.592 -18.894 2.386) 21.792 14.877 ( -1.380 -1.430 0.354) 2.019 15.115 ( 1.217 -0.223 -5.123) 5.270 17.957 ( -3.860 1.394 -11.592) 12.297 18.479 ( 29.122 1.813 -6.780) 29.956 18.593 ( -31.496 -0.024 -0.304) 31.498 19.396 ( 14.861 2.462 3.597) 15.487 20.536 ( 21.531 -4.175 28.693) 36.115 21.701 ( -25.062 -3.938 -25.139) 35.715 23.889 ( 12.359 -0.424 3.697) 12.907 24.116 ( -2.618 0.149 -9.104) 9.474 ======================= Grid point 326 (178/260) ======================= q-point: (-0.30 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( -2.873 4.734 8.596) 10.226 2.885 ( -5.118 9.350 5.512) 12.000 3.083 ( 4.777 -8.066 4.003) 10.194 3.294 ( -1.905 -0.612 10.280) 10.473 4.098 ( 11.669 10.231 -1.518) 15.593 4.395 ( 4.663 -4.517 -4.370) 7.826 4.669 ( 13.491 -6.254 -12.660) 19.529 4.708 ( 7.925 -5.119 -14.492) 17.293 5.658 ( -18.626 4.992 7.035) 20.527 6.031 ( -10.728 -1.809 3.594) 11.458 6.448 ( -6.947 9.993 9.488) 15.432 6.645 ( -2.993 -4.470 8.771) 10.290 7.169 ( -8.457 -0.542 5.161) 9.922 7.576 ( 6.253 3.992 4.636) 8.747 7.693 ( 4.148 5.200 -0.198) 6.655 7.957 ( 2.221 -7.479 17.099) 18.795 8.736 ( 3.001 1.488 -9.499) 10.072 9.237 ( -5.792 3.426 -9.288) 11.469 9.651 ( -10.403 1.034 16.935) 19.902 10.583 ( -5.100 5.459 10.142) 12.597 10.916 ( -8.638 3.614 0.497) 9.377 11.286 ( -18.206 -5.908 -4.090) 19.572 12.750 ( -4.450 8.810 -6.639) 11.895 12.937 ( -4.301 -2.519 2.095) 5.407 13.016 ( 9.210 14.717 2.992) 17.617 13.629 ( 12.995 -19.655 -3.574) 23.832 14.838 ( -2.716 -1.377 1.197) 3.273 15.121 ( 0.723 -0.108 -6.962) 7.000 17.830 ( -20.819 9.070 -2.478) 22.844 18.064 ( -6.767 -11.682 -6.080) 14.806 18.995 ( 24.348 2.421 -8.784) 25.997 19.641 ( 8.413 0.685 1.438) 8.562 21.015 ( 18.943 -2.417 27.443) 33.434 21.189 ( -20.398 -1.940 -19.670) 28.403 24.049 ( 0.527 1.717 -8.711) 8.894 24.121 ( 8.539 -0.912 0.544) 8.605 ======================= Grid point 327 (179/260) ======================= q-point: (-0.20 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -1.426 3.942 12.976) 13.637 2.861 ( 0.589 17.039 10.495) 20.021 3.184 ( 1.047 -10.253 6.898) 12.401 3.334 ( 5.123 -1.620 17.833) 18.625 4.299 ( 6.526 9.343 -2.139) 11.596 4.416 ( 0.554 -1.202 -6.751) 6.880 4.845 ( 8.988 -0.640 -10.115) 13.546 4.929 ( 14.240 -9.654 -7.639) 18.824 5.337 ( -14.053 5.490 4.306) 15.690 5.784 ( -14.617 -4.185 2.495) 15.407 6.330 ( -6.559 8.481 10.747) 15.180 6.611 ( -2.457 -4.281 9.917) 11.078 6.995 ( -9.580 1.530 2.255) 9.960 7.718 ( 5.184 6.718 12.285) 14.931 7.812 ( 8.579 5.886 -3.212) 10.888 8.089 ( 8.163 -9.816 11.940) 17.480 8.741 ( -1.360 2.099 -4.793) 5.406 9.178 ( 1.753 3.321 -5.482) 6.644 9.437 ( -13.808 -0.267 12.574) 18.677 10.486 ( -6.637 4.492 2.713) 8.461 10.693 ( -13.140 7.361 4.264) 15.653 10.974 ( -12.889 -9.528 0.999) 16.060 12.671 ( -1.871 10.480 -6.732) 12.596 12.867 ( -3.575 0.691 2.096) 4.201 13.199 ( 8.894 8.568 0.235) 12.352 13.859 ( 11.311 -18.803 -8.876) 23.670 14.780 ( -3.381 -1.032 1.457) 3.823 15.109 ( -0.077 -0.139 -8.877) 8.878 17.267 ( -29.815 -0.533 9.267) 31.226 18.159 ( 10.737 -5.965 -18.204) 21.960 19.388 ( 17.477 2.714 -8.309) 19.541 19.683 ( -4.153 -2.044 -5.115) 6.898 20.896 ( -4.408 0.818 -5.437) 7.047 21.341 ( 7.372 -0.960 21.663) 22.904 24.066 ( 3.915 1.335 -8.455) 9.412 24.269 ( 5.797 0.558 0.505) 5.845 ======================= Grid point 328 (180/260) ======================= q-point: (-0.10 0.44 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -0.949 3.703 13.616) 14.143 2.924 ( 1.989 18.165 13.320) 22.613 3.186 ( -0.814 -6.036 11.946) 13.409 3.537 ( 8.898 -4.362 21.165) 23.370 4.278 ( -5.802 -2.343 4.734) 7.846 4.433 ( 0.388 4.637 -11.302) 12.222 4.952 ( 0.457 9.049 2.897) 9.512 5.156 ( 8.211 -4.668 -7.687) 12.178 5.215 ( 4.089 5.611 -2.354) 7.331 5.516 ( -10.354 -10.903 -0.111) 15.036 6.266 ( -2.388 5.292 10.001) 11.564 6.598 ( -1.504 -3.205 11.907) 12.422 6.814 ( -8.854 3.154 -0.351) 9.406 7.828 ( 3.195 7.592 14.044) 16.281 7.965 ( 6.210 2.855 -0.422) 6.847 8.341 ( 12.824 -4.687 3.977) 14.221 8.669 ( -2.605 2.149 0.169) 3.381 9.190 ( -7.036 4.139 6.616) 10.507 9.316 ( 7.596 -1.535 -2.521) 8.149 10.268 ( -15.595 -1.467 -8.621) 17.880 10.539 ( -2.903 11.926 13.944) 18.576 10.796 ( -5.668 -10.796 5.465) 13.363 12.648 ( 0.937 10.724 -5.411) 12.048 12.799 ( -3.793 3.346 0.614) 5.095 13.359 ( 7.437 4.141 -2.244) 8.803 14.011 ( 6.290 -17.802 -12.760) 22.788 14.721 ( -2.712 -0.815 1.007) 3.005 15.081 ( -0.294 -0.089 -10.352) 10.356 16.770 ( -23.324 -4.359 14.597) 27.858 18.268 ( 3.561 -4.328 -27.567) 28.130 19.505 ( -6.154 0.886 -2.651) 6.759 19.667 ( 9.574 -0.620 -8.449) 12.784 20.990 ( 12.310 0.664 5.158) 13.363 21.389 ( -6.243 -0.290 13.811) 15.159 24.154 ( 6.032 1.632 -5.032) 8.023 24.344 ( 1.842 1.093 -0.613) 2.228 ======================= Grid point 369 (181/260) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -2.140 0.000 18.049) 18.175 2.135 ( -0.597 0.000 12.273) 12.288 3.173 ( 12.087 0.000 -0.921) 12.122 3.435 ( -0.646 0.000 -12.307) 12.324 4.275 ( 4.336 0.000 3.436) 5.532 4.299 ( 3.507 0.000 11.327) 11.857 4.899 ( -3.726 0.000 20.527) 20.863 5.280 ( 0.151 0.000 15.367) 15.368 5.639 ( -2.118 0.000 -5.155) 5.573 5.697 ( -2.783 0.000 -1.560) 3.191 6.206 ( -0.897 0.000 10.808) 10.846 6.489 ( -9.476 0.000 6.455) 11.466 6.502 ( 4.895 0.000 1.207) 5.041 7.013 ( 6.057 0.000 -16.105) 17.206 7.434 ( -0.022 0.000 17.018) 17.018 8.173 ( -8.427 0.000 -18.635) 20.452 8.377 ( -14.119 0.000 6.417) 15.508 8.729 ( 15.008 0.000 -12.212) 19.349 9.655 ( 13.665 0.000 25.177) 28.646 10.376 ( -4.579 0.000 -3.899) 6.014 10.466 ( 10.397 0.000 -1.045) 10.449 10.501 ( -11.981 0.000 -10.863) 16.173 11.550 ( -0.618 0.000 -1.351) 1.485 11.800 ( 8.824 0.000 -12.431) 15.244 14.115 ( 6.304 0.000 7.696) 9.948 14.551 ( -6.411 0.000 -14.316) 15.686 15.100 ( -6.295 0.000 3.502) 7.204 15.192 ( 9.355 0.000 -2.776) 9.758 18.180 ( -46.546 0.000 1.921) 46.585 18.265 ( 26.610 0.000 -1.636) 26.661 19.577 ( -0.267 0.000 1.877) 1.896 19.656 ( 0.216 0.000 -2.048) 2.060 21.364 ( -29.207 0.000 12.188) 31.648 21.788 ( 43.026 0.000 -9.633) 44.091 23.664 ( 6.035 0.000 3.964) 7.220 23.840 ( -4.877 0.000 -4.934) 6.937 ======================= Grid point 370 (182/260) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 8.392 0.000 18.457) 20.276 2.233 ( 7.883 0.000 6.588) 10.273 3.386 ( -1.128 0.000 -17.400) 17.437 3.413 ( 12.205 0.000 -1.960) 12.362 4.269 ( -4.028 0.000 -1.769) 4.400 4.333 ( -2.206 0.000 2.459) 3.304 4.901 ( -1.128 0.000 25.533) 25.558 5.410 ( 6.738 0.000 17.868) 19.097 5.553 ( -3.867 0.000 -2.063) 4.383 5.666 ( 0.379 0.000 -0.153) 0.408 6.208 ( -1.328 0.000 6.951) 7.077 6.382 ( -3.520 0.000 0.889) 3.631 6.623 ( 6.188 0.000 -1.286) 6.320 7.136 ( 9.461 0.000 -11.799) 15.123 7.503 ( 2.537 0.000 23.605) 23.741 7.972 ( -6.870 0.000 -16.019) 17.430 8.143 ( -10.683 0.000 6.117) 12.310 9.058 ( 20.009 0.000 -11.021) 22.844 9.920 ( 6.788 0.000 28.060) 28.869 10.056 ( -16.639 0.000 -17.359) 24.046 10.493 ( 4.509 0.000 -3.134) 5.491 10.765 ( 19.789 0.000 -6.676) 20.884 11.511 ( -2.499 0.000 -4.980) 5.572 11.973 ( 11.721 0.000 -14.189) 18.404 14.260 ( 6.479 0.000 7.005) 9.542 14.388 ( -7.032 0.000 -14.401) 16.026 14.959 ( -8.722 0.000 1.363) 8.828 15.345 ( 6.947 0.000 -2.397) 7.349 17.366 ( -36.036 0.000 14.929) 39.006 18.809 ( 27.340 0.000 4.662) 27.735 19.511 ( -6.467 0.000 2.612) 6.974 19.611 ( -4.387 0.000 -2.299) 4.953 20.738 ( -35.728 0.000 6.643) 36.340 22.495 ( 31.106 0.000 -18.265) 36.072 23.725 ( -5.228 0.000 -5.514) 7.599 23.807 ( 7.195 0.000 3.524) 8.012 ======================= Grid point 371 (183/260) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 14.574 0.000 17.015) 22.403 2.444 ( 11.844 0.000 2.327) 12.071 3.302 ( -2.944 0.000 -20.927) 21.133 3.602 ( 5.563 0.000 -0.926) 5.640 4.165 ( -4.733 0.000 -3.687) 6.000 4.269 ( -1.380 0.000 -5.640) 5.806 4.957 ( 0.429 0.000 21.374) 21.378 5.350 ( -10.984 0.000 10.045) 14.885 5.712 ( 13.014 0.000 8.474) 15.529 5.719 ( 4.611 0.000 1.634) 4.892 6.181 ( -2.638 0.000 3.674) 4.523 6.331 ( -1.729 0.000 -0.320) 1.758 6.691 ( 0.913 0.000 -3.640) 3.753 7.299 ( 8.172 0.000 -6.683) 10.557 7.632 ( 3.903 0.000 23.524) 23.845 7.848 ( -2.278 0.000 -11.749) 11.968 8.013 ( -3.765 0.000 12.130) 12.700 9.420 ( 17.465 0.000 -7.815) 19.134 9.736 ( -9.653 0.000 -23.674) 25.567 10.068 ( 2.342 0.000 26.828) 26.930 10.605 ( 7.703 0.000 -2.751) 8.179 11.092 ( 9.400 0.000 -4.911) 10.605 11.483 ( 5.172 0.000 -7.317) 8.960 12.187 ( 13.846 0.000 -18.614) 23.199 14.202 ( -8.654 0.000 -13.280) 15.851 14.347 ( -2.086 0.000 6.693) 7.010 14.803 ( -4.848 0.000 1.955) 5.228 15.450 ( 4.247 0.000 -2.510) 4.934 16.896 ( -15.420 0.000 18.519) 24.098 19.152 ( -4.245 0.000 -2.279) 4.818 19.480 ( -8.111 0.000 -3.163) 8.706 19.500 ( 12.063 0.000 11.268) 16.507 20.068 ( -30.099 0.000 7.632) 31.052 22.886 ( 13.185 0.000 -24.884) 28.161 23.643 ( -0.933 0.000 -3.392) 3.518 23.947 ( 6.171 0.000 1.795) 6.427 ======================= Grid point 372 (184/260) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 14.765 0.000 13.469) 19.986 2.689 ( 12.651 0.000 -0.368) 12.657 3.190 ( -2.831 0.000 -20.795) 20.987 3.562 ( -8.901 0.000 -2.322) 9.199 4.098 ( -0.824 0.000 -2.345) 2.485 4.324 ( 6.977 0.000 -2.526) 7.420 4.998 ( 0.651 0.000 6.408) 6.441 5.121 ( -14.910 0.000 13.227) 19.931 5.831 ( 5.693 0.000 0.705) 5.737 5.959 ( 8.520 0.000 1.914) 8.732 6.144 ( -0.308 0.000 5.693) 5.701 6.318 ( 0.198 0.000 1.261) 1.277 6.658 ( -2.863 0.000 1.215) 3.111 7.378 ( 0.789 0.000 -5.088) 5.149 7.712 ( 0.073 0.000 13.226) 13.226 7.831 ( 2.022 0.000 -4.960) 5.356 8.080 ( 5.446 0.000 24.282) 24.885 9.480 ( -3.954 0.000 -15.009) 15.521 9.788 ( 15.281 0.000 -19.905) 25.094 10.143 ( -0.819 0.000 23.639) 23.654 10.785 ( 10.977 0.000 -0.677) 10.997 11.041 ( -9.334 0.000 0.661) 9.357 11.710 ( 14.455 0.000 -6.510) 15.854 12.413 ( 13.620 0.000 -24.505) 28.036 13.998 ( -8.786 0.000 -10.019) 13.325 14.167 ( -15.161 0.000 8.203) 17.238 14.833 ( 4.900 0.000 4.578) 6.706 15.494 ( 0.834 0.000 -3.405) 3.506 16.837 ( 4.845 0.000 13.327) 14.180 18.855 ( -20.182 0.000 -4.643) 20.709 19.294 ( -9.529 0.000 -4.255) 10.436 19.318 ( -24.952 0.000 -1.866) 25.022 20.136 ( 22.447 0.000 26.186) 34.490 22.902 ( -3.754 0.000 -27.701) 27.955 23.694 ( 5.822 0.000 -1.897) 6.123 24.046 ( 3.456 0.000 -0.290) 3.468 ======================= Grid point 373 (185/260) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.902 ( 7.239 0.000 4.786) 8.678 2.928 ( 11.640 0.000 -1.984) 11.808 3.128 ( 1.291 0.000 -13.913) 13.973 3.304 ( -15.071 0.000 -4.937) 15.859 4.147 ( 6.255 0.000 3.438) 7.137 4.421 ( -0.362 0.000 8.000) 8.008 4.832 ( -17.651 0.000 14.204) 22.657 5.046 ( 5.958 0.000 -11.226) 12.709 5.913 ( 2.129 0.000 -1.449) 2.575 5.975 ( -3.592 0.000 -1.485) 3.887 6.264 ( 7.712 0.000 5.492) 9.467 6.323 ( -1.002 0.000 3.145) 3.301 6.647 ( 2.061 0.000 9.117) 9.347 7.322 ( -4.358 0.000 -6.727) 8.015 7.740 ( 0.669 0.000 10.283) 10.304 7.866 ( 1.269 0.000 0.933) 1.575 8.275 ( 7.463 0.000 25.562) 26.629 9.418 ( 1.661 0.000 -20.654) 20.721 10.012 ( 11.622 0.000 -16.498) 20.181 10.123 ( -6.698 0.000 15.346) 16.744 10.844 ( -10.639 0.000 11.565) 15.715 11.012 ( 11.298 0.000 1.972) 11.469 11.907 ( 5.861 0.000 -3.342) 6.747 12.565 ( 6.974 0.000 -30.000) 30.799 13.855 ( -2.609 0.000 -5.271) 5.882 13.892 ( -13.608 0.000 9.207) 16.430 14.947 ( 4.861 0.000 7.300) 8.770 15.466 ( -2.627 0.000 -4.812) 5.483 17.106 ( 19.063 0.000 7.236) 20.390 18.393 ( -24.322 0.000 -8.695) 25.830 18.924 ( -13.936 0.000 2.634) 14.183 19.110 ( -7.534 0.000 -4.962) 9.021 20.652 ( 22.403 0.000 28.296) 36.091 22.676 ( -11.654 0.000 -29.248) 31.485 23.815 ( 6.264 0.000 -0.974) 6.339 24.074 ( -0.416 0.000 -2.131) 2.171 ======================= Grid point 374 (186/260) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -16.732 0.000 1.507) 16.800 2.968 ( 0.278 0.000 -0.668) 0.724 3.147 ( 1.992 0.000 -7.284) 7.552 3.164 ( 8.721 0.000 -9.158) 12.646 4.321 ( -10.543 0.000 8.748) 13.700 4.341 ( 5.971 0.000 18.915) 19.835 4.534 ( -9.998 0.000 3.890) 10.728 5.169 ( 7.574 0.000 -12.598) 14.699 5.886 ( -5.107 0.000 1.547) 5.336 5.909 ( -1.361 0.000 -0.753) 1.556 6.300 ( -1.668 0.000 5.156) 5.419 6.387 ( 3.472 0.000 1.239) 3.686 6.781 ( 7.993 0.000 11.814) 14.264 7.208 ( -4.604 0.000 -9.468) 10.528 7.792 ( 2.222 0.000 9.270) 9.533 7.882 ( 0.254 0.000 2.721) 2.733 8.462 ( 5.602 0.000 20.827) 21.567 9.413 ( 1.932 0.000 -23.994) 24.072 9.932 ( -14.755 0.000 5.725) 15.827 10.177 ( 8.863 0.000 -12.579) 15.388 10.710 ( -7.416 0.000 23.718) 24.850 11.206 ( 7.191 0.000 3.852) 8.157 11.915 ( -4.370 0.000 0.700) 4.426 12.514 ( -4.919 0.000 -30.014) 30.414 13.708 ( -6.885 0.000 8.113) 10.641 13.907 ( 8.720 0.000 -4.130) 9.649 15.057 ( 4.382 0.000 9.431) 10.399 15.376 ( -5.109 0.000 -6.144) 7.991 17.570 ( 25.775 0.000 4.745) 26.208 17.910 ( -21.396 0.000 -11.864) 24.465 18.789 ( -1.271 0.000 5.418) 5.565 19.004 ( -1.395 0.000 -4.617) 4.823 21.125 ( 18.851 0.000 29.540) 35.042 22.324 ( -16.979 0.000 -31.989) 36.215 23.923 ( 4.588 0.000 0.480) 4.613 24.019 ( -4.419 0.000 -3.314) 5.524 ======================= Grid point 375 (187/260) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.604 ( -16.693 0.000 6.756) 18.009 2.886 ( -9.261 0.000 0.444) 9.272 3.210 ( 6.394 0.000 -0.814) 6.445 3.273 ( 2.616 0.000 -10.018) 10.353 4.122 ( -9.338 0.000 4.854) 10.524 4.160 ( -15.901 0.000 15.997) 22.555 4.749 ( 17.808 0.000 4.600) 18.393 5.216 ( -1.961 0.000 0.248) 1.976 5.785 ( -5.884 0.000 4.424) 7.361 5.908 ( 2.039 0.000 -0.367) 2.072 6.283 ( -1.208 0.000 3.742) 3.933 6.401 ( -1.899 0.000 -0.036) 1.900 6.972 ( 7.908 0.000 11.245) 13.748 7.115 ( -2.196 0.000 -12.949) 13.133 7.851 ( 0.989 0.000 5.722) 5.807 7.903 ( 1.871 0.000 1.258) 2.254 8.569 ( 0.699 0.000 15.629) 15.645 9.352 ( -2.552 0.000 -26.584) 26.706 9.624 ( -16.454 0.000 6.097) 17.548 10.301 ( 5.925 0.000 -7.097) 9.245 10.630 ( -7.341 0.000 24.711) 25.778 11.300 ( 1.296 0.000 5.592) 5.741 11.775 ( -9.391 0.000 5.280) 10.774 12.274 ( -11.738 0.000 -26.917) 29.365 13.661 ( 0.062 0.000 6.880) 6.880 14.137 ( 14.884 0.000 -6.062) 16.071 15.160 ( 3.567 0.000 10.342) 10.940 15.244 ( -6.682 0.000 -7.162) 9.796 17.543 ( -12.152 0.000 -14.016) 18.550 18.105 ( 27.173 0.000 5.482) 27.720 18.876 ( 7.961 0.000 6.118) 10.041 19.056 ( 7.933 0.000 -2.963) 8.468 21.519 ( 14.172 0.000 29.734) 32.939 21.861 ( -22.619 0.000 -34.562) 41.306 23.894 ( -7.289 0.000 -3.594) 8.127 23.993 ( 2.303 0.000 1.196) 2.595 ======================= Grid point 376 (188/260) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -10.932 0.000 16.943) 20.164 2.633 ( -16.177 0.000 4.689) 16.843 3.188 ( -8.161 0.000 -9.775) 12.734 3.374 ( 8.674 0.000 5.191) 10.108 3.934 ( -9.086 0.000 8.447) 12.406 4.037 ( -0.140 0.000 2.145) 2.149 5.100 ( 15.862 0.000 4.672) 16.536 5.122 ( -7.761 0.000 12.478) 14.695 5.676 ( -6.451 0.000 6.209) 8.954 5.946 ( -0.199 0.000 2.025) 2.035 6.283 ( 1.483 0.000 -0.197) 1.496 6.335 ( -4.323 0.000 1.661) 4.632 7.053 ( -1.058 0.000 -15.587) 15.623 7.116 ( 3.701 0.000 9.166) 9.885 7.785 ( -10.113 0.000 -1.543) 10.230 7.972 ( 5.446 0.000 -2.716) 6.085 8.598 ( 0.347 0.000 19.124) 19.127 9.184 ( -8.167 0.000 -27.069) 28.274 9.365 ( -11.421 0.000 9.211) 14.673 10.369 ( 2.112 0.000 -2.125) 2.996 10.519 ( -8.849 0.000 18.264) 20.295 11.289 ( -3.929 0.000 8.080) 8.985 11.622 ( -6.906 0.000 8.763) 11.158 11.968 ( -12.141 0.000 -26.859) 29.476 13.725 ( 4.357 0.000 6.867) 8.133 14.431 ( 16.144 0.000 -7.322) 17.727 15.083 ( -7.865 0.000 -8.076) 11.273 15.232 ( 1.179 0.000 9.830) 9.900 17.394 ( 0.597 0.000 -14.523) 14.535 18.648 ( 26.348 0.000 6.007) 27.024 19.092 ( 11.894 0.000 5.319) 13.029 19.300 ( 17.045 0.000 0.265) 17.047 21.279 ( -28.283 0.000 -34.563) 44.660 21.805 ( 7.676 0.000 28.636) 29.646 23.733 ( -7.776 0.000 -2.884) 8.294 24.017 ( -0.102 0.000 0.684) 0.692 ======================= Grid point 377 (189/260) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -5.715 0.000 23.999) 24.670 2.312 ( -17.360 0.000 10.521) 20.299 2.998 ( -6.437 0.000 -7.570) 9.937 3.502 ( 1.563 0.000 2.623) 3.053 3.898 ( 4.980 0.000 6.581) 8.253 4.088 ( 3.713 0.000 3.854) 5.352 5.008 ( -6.982 0.000 17.868) 19.184 5.344 ( 5.506 0.000 6.140) 8.247 5.587 ( -1.849 0.000 2.925) 3.461 5.885 ( -5.889 0.000 3.841) 7.031 6.258 ( -4.147 0.000 5.892) 7.205 6.344 ( 4.244 0.000 -1.534) 4.513 7.000 ( -0.274 0.000 -17.180) 17.182 7.101 ( -9.905 0.000 3.820) 10.616 7.508 ( -12.484 0.000 3.965) 13.098 8.103 ( 8.963 0.000 -7.505) 11.691 8.691 ( 1.594 0.000 22.529) 22.585 8.920 ( -11.973 0.000 -24.990) 27.710 9.218 ( -4.444 0.000 9.040) 10.073 10.382 ( -0.247 0.000 0.585) 0.635 10.398 ( -6.160 0.000 11.781) 13.294 11.163 ( -11.592 0.000 5.378) 12.778 11.554 ( -2.311 0.000 8.054) 8.379 11.731 ( -4.286 0.000 -24.714) 25.083 13.845 ( 5.820 0.000 7.438) 9.444 14.716 ( 13.992 0.000 -9.701) 17.026 14.910 ( -7.184 0.000 -6.875) 9.944 15.245 ( -2.036 0.000 8.224) 8.472 17.494 ( 12.406 0.000 -12.719) 17.768 19.094 ( 15.176 0.000 0.793) 15.196 19.333 ( 10.823 0.000 3.895) 11.503 19.681 ( 15.840 0.000 1.362) 15.899 20.684 ( -17.354 0.000 -24.577) 30.086 21.925 ( -2.717 0.000 25.334) 25.479 23.602 ( -4.476 0.000 -0.907) 4.567 23.994 ( -2.104 0.000 -0.867) 2.276 ======================= Grid point 378 (190/260) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -12.296 0.000 15.299) 19.628 2.183 ( -6.527 0.000 19.356) 20.427 2.981 ( 6.136 0.000 -1.992) 6.451 3.479 ( -1.738 0.000 -5.838) 6.092 4.097 ( 10.849 0.000 7.687) 13.296 4.186 ( 4.681 0.000 9.484) 10.577 4.937 ( -4.772 0.000 18.743) 19.341 5.322 ( -6.025 0.000 12.422) 13.806 5.636 ( 3.702 0.000 -5.373) 6.525 5.774 ( -5.254 0.000 1.531) 5.472 6.211 ( -2.474 0.000 10.653) 10.937 6.421 ( 3.632 0.000 0.571) 3.677 6.767 ( -19.515 0.000 4.699) 20.073 6.974 ( 2.085 0.000 -17.757) 17.879 7.416 ( -1.749 0.000 11.976) 12.104 8.257 ( 6.617 0.000 -13.115) 14.690 8.628 ( -11.891 0.000 12.172) 17.016 8.656 ( -6.483 0.000 -19.609) 20.653 9.330 ( 11.917 0.000 18.221) 21.772 10.359 ( 0.525 0.000 6.338) 6.359 10.380 ( 0.204 0.000 0.612) 0.645 10.863 ( -17.753 0.000 -6.383) 18.866 11.550 ( -0.075 0.000 3.657) 3.657 11.697 ( 4.521 0.000 -15.662) 16.301 13.978 ( 5.914 0.000 7.815) 9.801 14.711 ( -6.512 0.000 -14.470) 15.868 14.991 ( 11.533 0.000 -2.556) 11.813 15.195 ( -4.520 0.000 6.052) 7.554 17.803 ( 21.177 0.000 -8.313) 22.751 19.015 ( -29.566 0.000 -8.088) 30.652 19.512 ( 6.249 0.000 2.595) 6.767 19.656 ( -3.198 0.000 -4.577) 5.583 20.950 ( 39.396 0.000 -3.408) 39.543 21.787 ( -16.868 0.000 19.162) 25.529 23.575 ( 1.718 0.000 2.159) 2.759 23.933 ( -3.608 0.000 -2.980) 4.679 ======================= Grid point 379 (191/260) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -0.250 12.027 16.049) 20.057 2.256 ( -2.191 11.075 11.305) 15.977 3.209 ( 8.629 3.939 1.829) 9.661 3.548 ( 1.960 9.791 -12.941) 16.345 4.223 ( 2.979 -3.180 6.703) 7.994 4.360 ( 5.179 3.983 6.246) 9.039 4.829 ( -6.041 -4.683 20.768) 22.130 5.244 ( -2.373 -4.397 16.177) 16.931 5.627 ( 0.331 -0.999 -7.359) 7.434 5.662 ( -0.281 -3.184 -3.818) 4.979 6.249 ( -0.885 3.497 10.668) 11.261 6.503 ( -7.583 1.095 3.750) 8.530 6.584 ( 2.744 7.094 4.939) 9.069 7.097 ( 5.472 8.142 -15.702) 18.515 7.544 ( 0.764 10.282 17.422) 20.244 8.228 ( -7.260 4.866 -13.426) 16.020 8.448 ( -14.533 6.869 3.071) 16.365 8.735 ( 13.883 0.627 -10.138) 17.202 9.613 ( 12.268 -2.968 20.423) 24.008 10.224 ( -9.729 -10.393 -9.530) 17.132 10.475 ( 10.619 5.955 6.319) 13.716 10.798 ( -4.559 16.215 -11.174) 20.213 11.567 ( 0.075 3.356 0.242) 3.365 11.863 ( 6.904 5.896 -12.424) 15.388 14.066 ( 5.889 -4.795 8.378) 11.308 14.528 ( -6.592 -2.552 -14.823) 16.422 15.047 ( -4.881 -4.877 2.587) 7.369 15.143 ( 7.994 -4.652 -2.319) 9.535 17.915 ( -19.786 -20.079 9.982) 29.905 18.255 ( 1.250 -5.176 -8.718) 10.215 19.556 ( -0.999 -1.849 2.160) 3.013 19.654 ( 1.274 -0.208 -2.856) 3.134 21.349 ( -27.395 -1.200 10.832) 29.483 21.699 ( 39.085 -7.204 -6.980) 40.352 23.796 ( 6.176 10.884 1.239) 12.575 23.906 ( -4.739 5.943 -3.841) 8.516 ======================= Grid point 380 (192/260) ======================= q-point: ( 0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 4.327 9.213 15.482) 18.528 2.359 ( 9.586 11.417 7.717) 16.786 3.346 ( 4.222 1.239 -4.448) 6.257 3.575 ( 4.413 9.905 -12.865) 16.825 4.222 ( -3.508 -3.413 1.944) 5.266 4.383 ( -3.205 3.522 -4.324) 6.432 4.807 ( -1.720 -6.865 28.160) 29.036 5.303 ( 2.444 -9.937 17.103) 19.931 5.576 ( -0.825 2.541 -6.850) 7.353 5.703 ( 3.442 1.733 -0.194) 3.859 6.236 ( -2.254 2.826 7.292) 8.138 6.423 ( -2.248 3.167 3.673) 5.346 6.675 ( 4.776 4.464 -0.954) 6.607 7.201 ( 8.217 6.414 -11.858) 15.788 7.621 ( 2.125 10.700 21.679) 24.269 8.062 ( -5.353 8.431 -12.781) 16.220 8.210 ( -10.044 6.622 5.614) 13.276 9.041 ( 18.291 -1.549 -8.426) 20.198 9.803 ( -2.824 -7.207 10.321) 12.901 9.997 ( -3.826 -6.786 -2.778) 8.271 10.693 ( 5.576 16.745 -3.726) 18.038 10.872 ( 17.039 8.230 -6.178) 19.905 11.526 ( -3.220 2.344 -4.404) 5.938 12.022 ( 11.868 5.117 -13.122) 18.418 14.188 ( 3.662 -6.669 6.235) 9.837 14.367 ( -6.136 -2.887 -12.645) 14.348 14.922 ( -7.359 -3.135 0.752) 8.034 15.291 ( 6.979 -5.212 -2.351) 9.022 17.277 ( -32.006 -8.242 16.055) 36.744 18.658 ( 25.220 -14.253 3.017) 29.126 19.459 ( -8.752 -3.277 0.814) 9.381 19.629 ( -3.539 0.752 -1.747) 4.018 20.772 ( -31.959 3.072 5.969) 32.657 22.367 ( 30.199 -10.778 -14.111) 35.032 23.784 ( -6.224 5.619 -4.322) 9.433 23.926 ( 6.186 9.390 0.556) 11.258 ======================= Grid point 381 (193/260) ======================= q-point: ( 0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 9.788 2.746 12.789) 16.337 2.610 ( 13.364 12.466 5.814) 19.178 3.334 ( -2.249 3.521 -14.913) 15.487 3.641 ( 2.138 3.277 -5.330) 6.612 4.133 ( -4.608 -2.855 -1.449) 5.611 4.294 ( -1.618 1.728 -9.410) 9.703 4.848 ( -1.103 -8.658 21.543) 23.244 5.287 ( -8.092 -7.396 13.633) 17.495 5.654 ( 7.996 -1.977 0.709) 8.267 5.799 ( 6.901 5.129 0.873) 8.643 6.205 ( -1.993 3.271 5.043) 6.332 6.403 ( -0.507 4.890 2.238) 5.401 6.731 ( 0.839 3.480 -2.340) 4.277 7.345 ( 7.910 4.491 -7.166) 11.580 7.686 ( -0.855 5.507 14.643) 15.667 7.987 ( -1.161 11.838 -3.959) 12.536 8.111 ( -0.631 9.896 12.441) 15.909 9.383 ( 17.707 -4.247 -6.283) 19.263 9.562 ( -12.925 -11.038 -12.340) 21.005 10.118 ( 7.503 0.717 15.287) 17.044 10.776 ( 5.921 15.355 -9.092) 18.802 11.163 ( 4.730 6.405 0.240) 7.966 11.514 ( 8.977 3.071 -7.822) 12.296 12.247 ( 14.062 6.001 -16.716) 22.653 14.129 ( -8.022 -6.983 -10.467) 14.922 14.282 ( -4.759 -6.452 5.252) 9.585 14.807 ( -2.722 0.445 1.290) 3.045 15.397 ( 4.252 -5.165 -2.549) 7.159 16.865 ( -13.392 -2.773 18.397) 22.923 19.083 ( 11.059 -14.058 2.184) 18.019 19.226 ( -14.044 -8.642 -0.559) 16.500 19.553 ( -1.235 0.435 2.884) 3.167 20.205 ( -23.982 10.219 6.563) 26.882 22.784 ( 15.663 -9.318 -21.154) 27.922 23.663 ( -4.181 2.590 -2.097) 5.347 24.032 ( 4.508 6.705 -0.693) 8.109 ======================= Grid point 382 (194/260) ======================= q-point: ( 0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 12.244 -1.807 9.172) 15.405 2.875 ( 11.785 10.717 2.874) 16.186 3.234 ( -3.117 4.483 -17.247) 18.091 3.562 ( -8.971 0.092 -4.068) 9.851 4.065 ( -1.635 -3.211 0.098) 3.605 4.331 ( 6.368 0.145 -6.818) 9.331 4.843 ( -3.041 -12.011 7.816) 14.649 5.106 ( -12.123 -4.202 12.693) 18.048 5.795 ( 5.623 -4.014 1.269) 7.025 5.950 ( 5.970 3.338 -1.809) 7.075 6.213 ( 2.900 6.263 6.460) 9.453 6.420 ( 1.557 6.867 3.182) 7.727 6.703 ( -2.889 3.936 1.911) 5.243 7.430 ( 1.039 4.745 -5.478) 7.322 7.694 ( 0.739 0.634 9.026) 9.078 7.947 ( -2.304 9.454 1.593) 9.861 8.238 ( 7.231 14.154 19.919) 25.482 9.330 ( -6.563 -13.961 -16.730) 22.757 9.686 ( 13.519 -4.010 -1.942) 14.234 10.289 ( 6.036 6.801 9.934) 13.468 10.895 ( 7.954 9.973 -8.542) 15.352 11.067 ( -9.113 4.201 4.616) 11.046 11.791 ( 15.075 7.041 -5.334) 17.472 12.475 ( 13.137 6.187 -22.237) 26.558 13.930 ( -8.759 -6.583 -9.351) 14.405 14.098 ( -14.157 -6.563 8.325) 17.686 14.842 ( 4.210 0.796 4.068) 5.908 15.441 ( 0.881 -5.114 -3.368) 6.186 16.834 ( 5.852 -0.150 13.367) 14.593 18.842 ( -20.928 -1.854 -4.942) 21.583 19.062 ( -10.145 -12.586 -1.929) 16.280 19.474 ( -13.325 5.625 -1.720) 14.566 20.139 ( 15.173 1.124 22.472) 27.138 22.857 ( -2.093 -4.647 -27.070) 27.546 23.657 ( 3.742 -2.613 1.153) 4.707 24.093 ( 1.866 3.739 -1.971) 4.620 ======================= Grid point 383 (195/260) ======================= q-point: ( 0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.809 ( 10.296 -3.543 5.189) 12.062 3.041 ( 5.035 5.018 -6.323) 9.514 3.170 ( -1.346 4.111 -7.672) 8.807 3.323 ( -11.617 2.070 -7.409) 13.933 4.091 ( 3.749 -5.041 7.456) 9.750 4.422 ( 1.555 -0.513 1.781) 2.419 4.721 ( -13.319 -10.372 10.645) 19.957 4.978 ( 1.760 -7.058 -7.590) 10.513 5.874 ( 1.954 -2.890 0.889) 3.600 5.975 ( -1.755 3.336 -1.727) 4.147 6.341 ( 5.649 7.837 5.437) 11.085 6.457 ( 1.119 8.594 2.486) 9.016 6.686 ( 1.829 3.507 9.501) 10.292 7.368 ( -4.875 4.268 -6.615) 9.260 7.762 ( 3.177 1.364 9.692) 10.290 7.913 ( -1.828 6.104 4.164) 7.612 8.423 ( 6.257 12.976 19.314) 24.095 9.229 ( -0.179 -15.840 -17.786) 23.818 9.889 ( 6.663 -3.488 2.699) 7.990 10.366 ( 0.861 11.912 -5.366) 13.093 10.862 ( -8.526 1.487 11.841) 14.666 11.106 ( 10.142 10.204 0.036) 14.387 11.988 ( 5.232 7.072 -2.407) 9.121 12.617 ( 5.864 5.139 -27.529) 28.612 13.792 ( -2.425 -6.036 -4.511) 7.916 13.838 ( -12.949 -5.151 8.782) 16.473 14.943 ( 4.319 -0.464 6.762) 8.037 15.417 ( -2.325 -4.730 -4.552) 6.964 17.120 ( 19.748 1.357 7.334) 21.109 18.385 ( -23.362 -0.835 -8.353) 24.824 18.878 ( -6.636 -3.198 1.013) 7.436 19.188 ( -12.804 6.152 -3.555) 14.643 20.596 ( 21.867 -5.017 27.360) 35.382 22.635 ( -12.583 -4.105 -29.334) 32.182 23.772 ( 6.609 -3.732 1.415) 7.721 24.093 ( -1.291 1.562 -3.146) 3.742 ======================= Grid point 384 (196/260) ======================= q-point: (-0.50 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( -3.915 -1.102 2.442) 4.744 2.950 ( -9.939 0.392 -0.977) 9.995 3.129 ( 5.381 0.178 -7.273) 9.049 3.229 ( 0.898 3.693 -9.068) 9.832 4.184 ( -1.401 -7.326 16.229) 17.860 4.422 ( -14.765 -1.991 15.037) 21.168 4.464 ( 4.398 -2.631 -3.252) 6.070 5.092 ( 9.729 -8.609 -14.387) 19.385 5.871 ( -2.646 -0.134 2.674) 3.764 5.908 ( -4.439 2.520 0.826) 5.171 6.364 ( -2.889 6.478 7.040) 9.994 6.510 ( 2.531 8.465 0.441) 8.846 6.829 ( 8.886 4.429 11.360) 15.087 7.247 ( -4.738 3.666 -9.171) 10.955 7.843 ( 2.364 3.825 8.847) 9.924 7.903 ( 0.167 2.879 4.727) 5.538 8.553 ( 2.568 8.222 14.435) 16.810 9.205 ( 0.878 -15.862 -16.675) 23.032 9.922 ( -5.356 -0.190 6.314) 8.282 10.339 ( 1.274 10.894 -16.290) 19.638 10.762 ( -6.328 4.837 22.807) 24.158 11.299 ( 8.209 8.923 1.496) 12.217 11.983 ( -5.008 6.276 1.774) 8.223 12.550 ( -5.760 3.678 -26.945) 27.798 13.653 ( -6.953 -5.094 7.989) 11.752 13.857 ( 9.147 -4.791 -4.098) 11.109 15.040 ( 3.856 -1.550 8.651) 9.597 15.336 ( -4.550 -3.807 -5.616) 8.169 17.594 ( 26.077 2.278 4.366) 26.538 17.922 ( -20.527 1.101 -11.567) 23.588 18.821 ( -1.046 3.082 4.751) 5.759 19.013 ( -2.212 0.937 -4.082) 4.737 21.072 ( 19.507 -5.044 29.233) 35.504 22.256 ( -18.606 -6.420 -31.588) 37.218 23.897 ( 5.496 -2.245 1.632) 6.157 24.028 ( -4.374 0.703 -4.148) 6.069 ======================= Grid point 385 (197/260) ======================= q-point: (-0.40 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -15.613 2.445 6.255) 16.996 2.899 ( -8.478 1.343 1.590) 8.730 3.195 ( 5.388 -1.364 -0.762) 5.610 3.274 ( 2.686 0.004 -7.637) 8.096 4.105 ( -7.965 -2.495 10.049) 13.063 4.134 ( -12.450 -1.578 7.572) 14.657 4.721 ( 16.316 -2.904 1.897) 16.681 5.212 ( 3.399 -2.560 -4.590) 6.259 5.791 ( -4.721 -3.837 4.059) 7.314 5.838 ( -3.518 2.114 3.132) 5.163 6.317 ( -3.425 3.871 6.468) 8.279 6.521 ( -1.095 8.639 0.154) 8.709 7.030 ( 7.648 5.177 10.044) 13.644 7.160 ( -1.300 4.055 -11.874) 12.614 7.878 ( -0.544 3.073 5.040) 5.928 7.947 ( 2.699 2.662 3.074) 4.881 8.583 ( -1.850 1.732 10.181) 10.491 9.163 ( -1.849 -12.202 -13.501) 18.292 9.742 ( -12.128 6.972 2.554) 14.220 10.361 ( 2.735 5.053 -8.018) 9.864 10.683 ( -7.333 5.045 20.088) 21.971 11.402 ( 1.462 8.202 1.249) 8.425 11.845 ( -8.648 7.569 7.815) 13.898 12.310 ( -11.728 3.701 -23.321) 26.365 13.604 ( -0.026 -5.416 6.725) 8.635 14.089 ( 14.735 -4.595 -6.165) 16.620 15.128 ( 2.576 -2.958 8.957) 9.778 15.220 ( -5.532 -2.299 -6.037) 8.506 17.559 ( -12.442 1.599 -13.906) 18.728 18.130 ( 26.616 2.280 4.241) 27.049 18.833 ( 2.593 -3.325 3.888) 5.736 19.117 ( 11.742 5.078 -0.340) 12.798 21.480 ( 14.631 -3.728 29.255) 32.922 21.765 ( -23.556 -8.725 -32.911) 41.402 23.910 ( -6.343 1.222 -4.729) 8.005 23.988 ( 3.321 -0.285 1.610) 3.702 ======================= Grid point 386 (198/260) ======================= q-point: (-0.30 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( -10.868 3.621 15.496) 19.271 2.676 ( -13.398 4.348 6.869) 15.672 3.222 ( -5.724 3.041 -7.991) 10.289 3.354 ( 8.786 -1.783 5.386) 10.459 3.920 ( -7.435 -1.154 7.124) 10.362 4.070 ( 0.467 2.718 0.455) 2.796 5.025 ( 11.690 -5.866 0.822) 13.105 5.198 ( -3.234 5.176 10.434) 12.088 5.723 ( -4.357 1.206 6.314) 7.765 5.785 ( -1.985 -9.101 0.331) 9.320 6.264 ( -3.063 1.044 4.734) 5.734 6.491 ( -1.512 9.728 0.918) 9.888 7.076 ( -1.090 3.128 -9.759) 10.306 7.199 ( 3.330 6.350 3.673) 8.056 7.784 ( -10.735 -0.238 -1.370) 10.825 8.024 ( 5.205 4.203 0.963) 6.759 8.597 ( 2.335 0.891 14.466) 14.680 9.063 ( -5.609 -7.380 -12.654) 15.686 9.501 ( -12.449 9.151 0.368) 15.455 10.371 ( -1.898 1.359 4.421) 4.999 10.573 ( -6.658 3.743 8.603) 11.504 11.364 ( -4.983 4.329 2.560) 7.080 11.721 ( -6.628 11.484 11.175) 17.340 12.021 ( -11.159 5.215 -22.539) 25.685 13.668 ( 4.450 -5.546 6.767) 9.816 14.376 ( 15.687 -5.308 -7.715) 18.270 15.065 ( -7.107 -1.833 -6.367) 9.716 15.200 ( 0.790 -2.997 8.023) 8.601 17.391 ( -1.103 -0.031 -14.130) 14.173 18.647 ( 25.094 -0.696 5.085) 25.614 18.962 ( 8.858 -8.901 2.813) 12.869 19.412 ( 17.104 7.429 1.833) 18.738 21.169 ( -27.832 -9.260 -31.574) 43.096 21.785 ( 8.109 -2.175 27.934) 29.169 23.774 ( -5.893 3.186 -4.513) 8.078 24.033 ( 0.957 1.713 0.912) 2.164 ======================= Grid point 387 (199/260) ======================= q-point: (-0.20 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -9.968 3.105 17.379) 20.274 2.475 ( -8.956 11.317 16.761) 22.119 3.070 ( -5.660 6.460 -5.885) 10.412 3.508 ( 4.435 0.823 2.204) 5.020 3.898 ( 4.316 -0.043 6.381) 7.704 4.120 ( 3.967 2.821 1.396) 5.064 5.028 ( -7.470 2.187 14.014) 16.031 5.293 ( 5.008 -4.820 6.380) 9.436 5.648 ( -3.494 5.626 2.668) 7.140 5.744 ( -2.674 -12.036 0.782) 12.354 6.228 ( -1.694 -0.588 5.931) 6.196 6.482 ( 0.454 9.326 1.326) 9.431 7.019 ( -3.608 2.107 -8.002) 9.027 7.159 ( -8.648 4.644 -4.878) 10.961 7.554 ( -8.254 4.491 6.666) 11.521 8.154 ( 8.091 4.577 -3.458) 9.918 8.726 ( 3.269 3.503 16.862) 17.529 8.888 ( -7.521 -2.952 -15.396) 17.387 9.278 ( -8.828 5.670 2.708) 10.836 10.319 ( -4.300 0.240 12.693) 13.404 10.480 ( -3.713 1.203 -2.484) 4.626 11.241 ( -9.087 4.567 4.530) 11.133 11.597 ( -6.634 7.715 0.753) 10.203 11.837 ( -2.491 9.367 -14.833) 17.719 13.791 ( 6.063 -5.265 7.494) 10.984 14.648 ( 13.245 -6.584 -10.542) 18.163 14.907 ( -6.598 -0.309 -5.576) 8.645 15.206 ( -2.072 -3.684 7.015) 8.190 17.448 ( 9.571 -4.051 -11.412) 15.435 19.108 ( 7.669 -2.158 -1.400) 8.089 19.127 ( 16.508 -14.333 4.345) 22.290 19.711 ( 7.639 1.030 -1.697) 7.893 20.650 ( -10.217 -1.756 -18.866) 21.527 21.905 ( -2.899 -2.008 24.116) 24.373 23.683 ( -1.988 6.555 -2.830) 7.412 24.032 ( -1.140 3.634 -0.428) 3.832 ======================= Grid point 388 (200/260) ======================= q-point: (-0.10 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -7.042 7.380 15.595) 18.635 2.351 ( -8.749 13.259 16.648) 23.011 3.055 ( 5.013 6.647 0.728) 8.358 3.544 ( 1.075 6.127 -6.840) 9.246 4.075 ( 9.424 -1.898 8.402) 12.767 4.224 ( 5.685 3.201 6.588) 9.272 4.917 ( -7.206 -0.675 17.423) 18.866 5.303 ( -5.028 -3.114 12.763) 14.067 5.619 ( 0.298 -1.937 -3.858) 4.327 5.698 ( -1.424 -5.566 -3.528) 6.742 6.229 ( -0.184 1.602 10.107) 10.234 6.511 ( 2.160 7.047 0.367) 7.380 6.768 ( -17.846 0.717 7.713) 19.455 7.061 ( 1.970 8.098 -17.597) 19.471 7.510 ( -0.888 8.626 12.927) 15.566 8.297 ( 5.518 3.648 -7.983) 10.368 8.641 ( -5.235 0.956 -7.430) 9.139 8.730 ( -11.616 6.973 -1.190) 13.600 9.319 ( 10.797 -0.588 14.920) 18.427 10.301 ( 0.065 -0.211 9.402) 9.404 10.407 ( -2.791 -2.464 -4.591) 5.911 11.009 ( -13.107 11.190 -4.451) 17.800 11.543 ( 0.742 2.990 0.328) 3.098 11.809 ( 1.889 9.250 -11.286) 14.715 13.930 ( 6.088 -4.801 8.154) 11.251 14.686 ( -5.382 -3.004 -15.782) 16.943 14.940 ( 9.815 -4.478 -1.040) 10.838 15.155 ( -4.292 -3.827 4.833) 7.512 17.696 ( 17.136 -9.862 -5.494) 20.520 18.853 ( -30.606 -16.027 -8.940) 35.687 19.453 ( 11.234 -3.145 1.515) 11.764 19.654 ( -2.620 -0.769 -3.571) 4.496 20.945 ( 34.594 0.013 -2.213) 34.664 21.762 ( -16.616 -2.314 17.417) 24.183 23.695 ( 3.400 9.820 -0.098) 10.392 23.988 ( -2.960 5.180 -2.165) 6.347 ======================= Grid point 389 (201/260) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 0.432 16.394 13.169) 21.033 2.545 ( -2.424 16.051 9.325) 18.721 3.328 ( 5.760 6.982 7.262) 11.605 3.777 ( 2.438 11.340 -13.586) 17.864 4.153 ( 1.900 -3.470 8.669) 9.529 4.445 ( 6.801 3.598 -1.682) 7.875 4.784 ( -9.904 1.380 22.607) 24.720 5.105 ( -6.775 -7.976 14.779) 18.109 5.549 ( 6.593 -6.176 -2.949) 9.503 5.622 ( 1.780 -1.246 -14.366) 14.530 6.317 ( -0.618 2.716 9.771) 10.160 6.528 ( -4.286 1.313 1.819) 4.838 6.747 ( -1.357 8.029 9.974) 12.875 7.328 ( 4.348 13.508 -15.636) 21.116 7.808 ( 2.159 13.702 17.592) 22.403 8.359 ( -3.687 8.111 -4.413) 9.943 8.626 ( -13.123 7.754 -1.663) 15.333 8.770 ( 10.232 4.540 -5.069) 12.289 9.569 ( 11.658 -1.098 11.700) 16.553 10.010 ( -12.783 -10.252 -10.116) 19.258 10.626 ( 15.329 8.031 11.225) 20.627 11.011 ( -2.965 2.822 -8.289) 9.245 11.794 ( -1.283 19.591 -2.120) 19.747 12.038 ( 4.240 11.306 -10.653) 16.102 13.915 ( 4.989 -9.986 9.517) 14.669 14.420 ( -6.834 -8.792 -15.633) 19.193 14.919 ( -0.820 -7.165 0.977) 7.278 15.022 ( 3.974 -6.117 -2.322) 7.655 17.453 ( -14.496 -23.014 17.326) 32.249 18.067 ( -0.872 -11.891 -16.031) 19.979 19.515 ( -1.716 -1.897 2.553) 3.614 19.648 ( 2.425 -0.376 -4.396) 5.034 21.328 ( -23.142 -0.752 8.247) 24.579 21.552 ( 30.851 -6.326 -3.123) 31.647 24.013 ( 5.188 8.687 -0.719) 10.144 24.065 ( -3.766 8.971 -2.881) 10.147 ======================= Grid point 390 (202/260) ======================= q-point: ( 0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -0.609 13.288 11.686) 17.706 2.654 ( 9.508 16.286 8.518) 20.693 3.439 ( 3.586 7.077 2.852) 8.431 3.767 ( 0.107 7.966 -14.870) 16.870 4.142 ( -3.767 -4.211 4.159) 7.016 4.448 ( -5.393 2.218 -10.955) 12.410 4.714 ( -3.617 -0.850 26.955) 27.210 5.047 ( -2.379 -13.834 16.444) 21.621 5.643 ( 3.351 3.488 -11.258) 12.253 5.703 ( 8.941 -1.471 -2.667) 9.445 6.295 ( -2.335 2.150 7.474) 8.120 6.499 ( -0.890 4.086 6.468) 7.702 6.772 ( 1.725 4.581 3.367) 5.941 7.383 ( 4.928 10.342 -13.082) 17.389 7.881 ( -0.104 13.018 16.834) 21.280 8.302 ( -0.820 14.503 -4.136) 15.104 8.401 ( -7.591 10.840 2.443) 13.457 9.013 ( 13.795 -0.352 -2.957) 14.113 9.653 ( -12.914 -8.025 -4.518) 15.862 9.867 ( 8.645 -4.140 5.838) 11.223 10.982 ( 2.638 4.946 -13.346) 14.476 11.045 ( 23.398 10.518 6.762) 26.530 11.686 ( -7.428 15.291 -6.031) 18.038 12.194 ( 12.416 11.726 -9.442) 19.514 13.998 ( 0.593 -11.633 7.229) 13.709 14.241 ( -7.676 -9.766 -11.754) 17.101 14.855 ( -3.381 -3.086 -1.048) 4.696 15.142 ( 6.667 -8.670 -2.261) 11.168 17.062 ( -22.156 -11.730 18.860) 31.372 18.284 ( 18.323 -20.171 -3.300) 27.450 19.410 ( -8.826 -1.485 0.372) 8.958 19.633 ( -3.286 -0.323 -2.727) 4.282 20.852 ( -25.116 4.444 4.846) 25.962 22.124 ( 27.264 -11.691 -7.965) 30.715 23.925 ( -8.051 7.287 -3.232) 11.330 24.118 ( 3.978 8.316 -1.395) 9.324 ======================= Grid point 391 (203/260) ======================= q-point: ( 0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( 4.301 9.183 10.662) 14.713 2.883 ( 10.963 13.362 6.859) 18.595 3.459 ( -1.535 8.547 -4.143) 9.621 3.712 ( -3.073 3.211 -11.970) 12.769 4.056 ( -4.979 -4.465 0.889) 6.746 4.308 ( -3.472 -1.019 -12.537) 13.049 4.682 ( -5.417 -6.652 16.052) 18.201 5.031 ( -5.011 -15.798 16.054) 23.074 5.705 ( 5.099 6.281 -5.491) 9.777 5.882 ( 9.612 2.603 -1.304) 10.043 6.287 ( 0.170 3.503 6.088) 7.026 6.506 ( 0.357 5.485 7.228) 9.081 6.806 ( 0.624 3.221 1.020) 3.436 7.470 ( 6.424 7.087 -8.933) 13.088 7.840 ( -6.098 8.747 8.378) 13.560 8.267 ( -3.604 14.794 2.709) 15.465 8.409 ( 6.578 17.400 8.350) 20.390 9.203 ( -1.927 -11.938 -7.510) 14.235 9.429 ( 2.062 -1.990 -1.684) 3.324 10.106 ( 12.158 -0.840 8.189) 14.683 11.010 ( 2.822 3.173 -14.889) 15.483 11.442 ( 1.091 22.900 6.350) 23.789 11.604 ( 14.722 5.283 -9.494) 18.297 12.436 ( 14.009 12.112 -11.462) 21.779 13.927 ( -7.816 -12.435 -5.848) 15.809 14.088 ( -7.409 -12.135 2.602) 14.454 14.819 ( 0.216 0.462 0.136) 0.528 15.247 ( 4.325 -8.991 -2.648) 10.323 16.798 ( -8.182 -3.315 18.652) 20.636 18.615 ( 12.619 -25.038 0.850) 28.051 19.183 ( -13.742 -0.214 -2.025) 13.892 19.549 ( -2.970 -0.565 1.268) 3.278 20.417 ( -19.254 9.921 5.132) 22.260 22.549 ( 17.883 -12.459 -14.291) 26.063 23.742 ( -9.195 4.387 -2.001) 10.383 24.168 ( 1.533 5.829 -2.048) 6.366 ======================= Grid point 392 (204/260) ======================= q-point: ( 0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.591 ( 7.869 4.229 8.987) 12.672 3.075 ( 6.552 8.464 1.039) 10.754 3.384 ( -3.516 9.858 -7.969) 13.155 3.572 ( -8.363 1.240 -9.927) 13.039 3.971 ( -3.541 -5.685 3.889) 7.745 4.297 ( 4.807 -4.242 -13.253) 14.723 4.579 ( -7.366 -12.792 6.818) 16.260 4.907 ( -10.071 -14.067 11.900) 20.998 5.808 ( 5.712 6.033 -0.666) 8.335 6.043 ( 5.795 4.511 -1.427) 7.481 6.354 ( 6.060 6.302 5.556) 10.359 6.556 ( 2.897 6.716 7.259) 10.304 6.791 ( -2.580 3.853 3.469) 5.791 7.553 ( 1.814 6.793 -6.692) 9.707 7.755 ( -2.409 4.697 7.981) 9.569 8.191 ( -4.783 13.640 4.167) 15.043 8.592 ( 8.101 18.530 11.358) 23.194 9.000 ( -8.625 -16.310 -12.969) 22.552 9.654 ( 12.810 0.479 5.104) 13.798 10.357 ( 11.315 1.174 4.373) 12.187 10.981 ( -3.590 -0.703 -7.214) 8.088 11.374 ( -0.553 22.199 -3.693) 22.511 11.967 ( 16.062 9.932 -2.210) 19.013 12.664 ( 11.656 11.656 -16.008) 22.978 13.734 ( -8.637 -12.382 -7.852) 17.017 13.914 ( -11.658 -10.839 8.054) 17.840 14.859 ( 2.923 0.589 2.931) 4.181 15.295 ( 1.244 -8.710 -3.329) 9.407 16.840 ( 8.395 0.948 13.785) 16.168 18.679 ( -7.160 -14.414 -3.656) 16.505 18.903 ( -11.404 -2.090 -2.117) 11.786 19.533 ( -3.569 0.429 1.639) 3.950 20.210 ( -0.285 5.786 14.406) 15.527 22.710 ( 1.641 -9.223 -23.552) 25.347 23.615 ( -2.053 -1.337 3.184) 4.018 24.170 ( -0.732 3.374 -3.003) 4.575 ======================= Grid point 393 (205/260) ======================= q-point: ( 0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 8.074 -0.200 6.041) 10.086 3.126 ( 0.836 4.004 -7.649) 8.674 3.263 ( -10.526 4.061 -2.807) 11.627 3.399 ( -4.503 4.993 -12.071) 13.817 3.966 ( 1.594 -6.283 11.792) 13.456 4.370 ( 1.667 -5.378 -6.748) 8.788 4.445 ( -6.227 -15.144 5.372) 17.233 4.758 ( -3.520 -13.322 -3.003) 14.102 5.907 ( 3.833 6.588 2.282) 7.957 6.087 ( -0.598 6.577 -0.480) 6.621 6.515 ( 6.532 7.470 3.884) 10.656 6.621 ( 0.701 7.607 4.225) 8.730 6.773 ( 2.432 4.601 10.282) 11.524 7.480 ( -5.954 6.192 -6.436) 10.734 7.800 ( 3.019 2.630 9.184) 10.019 8.109 ( -4.481 11.863 6.132) 14.086 8.728 ( 2.432 11.151 5.670) 12.744 8.885 ( 0.387 -12.132 -11.301) 16.584 9.869 ( 6.775 0.984 7.984) 10.517 10.525 ( 4.881 4.447 -7.681) 10.129 10.893 ( -3.680 1.394 11.091) 11.768 11.424 ( 5.907 18.879 -6.408) 20.793 12.165 ( 4.298 9.923 0.158) 10.815 12.774 ( 2.654 9.703 -20.990) 23.276 13.616 ( -0.513 -10.955 -3.425) 11.489 13.694 ( -11.891 -8.401 8.654) 16.938 14.929 ( 3.005 -0.905 5.171) 6.049 15.284 ( -1.341 -7.798 -4.007) 8.869 17.164 ( 21.236 3.020 7.533) 22.734 18.358 ( -20.118 -1.842 -7.171) 21.437 18.820 ( 1.775 -2.278 -0.348) 2.909 19.321 ( -15.295 6.244 -2.581) 16.721 20.475 ( 18.356 -5.956 24.893) 31.497 22.510 ( -14.209 -7.843 -28.891) 33.138 23.683 ( 6.535 -4.543 5.070) 9.437 24.126 ( -2.823 1.507 -4.257) 5.325 ======================= Grid point 394 (206/260) ======================= q-point: (-0.50 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 2.150 -2.375 3.587) 4.809 2.987 ( -12.165 2.632 -3.480) 12.923 3.159 ( 2.643 2.625 -4.487) 5.832 3.283 ( -5.160 1.339 -6.461) 8.376 4.057 ( 2.799 -4.256 13.249) 14.195 4.226 ( -11.387 -12.200 6.646) 17.963 4.455 ( 4.938 -2.727 -2.880) 6.334 4.814 ( 9.775 -17.128 -14.494) 24.474 5.946 ( -2.040 7.287 5.089) 9.119 6.031 ( -4.157 8.777 0.753) 9.741 6.516 ( -5.380 7.170 8.167) 12.126 6.666 ( 2.578 6.292 1.630) 6.992 6.947 ( 10.433 6.664 10.104) 15.980 7.345 ( -5.200 5.391 -8.754) 11.521 7.874 ( 1.970 -0.024 8.827) 9.045 8.052 ( -2.735 10.182 6.811) 12.552 8.714 ( -3.266 0.114 -0.665) 3.335 8.924 ( 4.032 -4.071 -8.159) 9.970 9.944 ( -1.310 2.550 11.181) 11.543 10.523 ( -0.684 6.857 -13.982) 15.588 10.886 ( -2.663 6.615 19.162) 20.446 11.533 ( 5.270 12.062 -7.589) 15.194 12.163 ( -3.700 11.404 5.956) 13.387 12.665 ( -7.792 7.151 -19.375) 22.074 13.514 ( -7.424 -7.969 7.562) 13.259 13.718 ( 10.244 -8.542 -3.514) 13.793 14.996 ( 2.475 -2.612 6.350) 7.299 15.230 ( -2.980 -6.134 -4.473) 8.156 17.659 ( 26.450 3.909 3.215) 26.930 17.949 ( -18.042 1.321 -10.639) 20.986 18.908 ( 0.490 5.147 3.176) 6.068 19.044 ( -4.949 2.075 -2.807) 6.057 20.930 ( 20.453 -8.299 28.561) 36.097 22.080 ( -21.698 -10.122 -30.555) 38.818 23.840 ( 7.577 -3.095 3.950) 9.088 24.041 ( -4.512 0.493 -5.769) 7.340 ======================= Grid point 395 (207/260) ======================= q-point: (-0.40 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -13.274 2.589 4.709) 14.321 2.954 ( -5.141 4.475 4.621) 8.235 3.151 ( 2.780 -3.122 1.306) 4.379 3.282 ( 3.423 1.141 -3.435) 4.981 4.011 ( -9.097 -5.845 5.529) 12.144 4.119 ( -0.073 -0.048 3.958) 3.959 4.624 ( 12.142 -6.483 -4.770) 14.568 5.008 ( 12.042 -16.880 -10.143) 23.083 5.805 ( -11.999 6.274 7.049) 15.266 5.978 ( -3.066 9.916 4.298) 11.233 6.420 ( -6.224 5.483 8.408) 11.811 6.689 ( -0.444 6.923 1.608) 7.121 7.161 ( 7.101 7.144 8.134) 12.947 7.260 ( -0.066 5.181 -10.402) 11.621 7.886 ( -3.824 -4.045 6.181) 8.319 8.048 ( 1.348 8.341 6.505) 10.663 8.638 ( -2.859 1.966 -0.034) 3.470 8.969 ( 1.731 -5.047 -7.432) 9.149 9.877 ( -7.816 6.525 10.127) 14.360 10.476 ( -1.325 5.751 -8.012) 9.951 10.827 ( -7.592 8.728 14.539) 18.580 11.533 ( -3.700 3.284 -8.764) 10.064 12.117 ( -2.353 18.451 12.494) 22.406 12.429 ( -11.354 7.683 -15.518) 20.706 13.449 ( -0.858 -9.386 6.158) 11.259 13.952 ( 13.872 -8.774 -5.744) 17.390 15.047 ( 0.624 -4.695 5.947) 7.602 15.155 ( -3.142 -3.837 -4.251) 6.532 17.607 ( -12.232 3.041 -13.538) 18.497 18.193 ( 24.939 3.743 0.900) 25.234 18.759 ( -5.948 -3.724 2.696) 7.518 19.239 ( 15.277 6.456 1.773) 16.680 21.373 ( 16.767 -6.544 29.046) 34.171 21.543 ( -25.038 -11.781 -30.085) 40.876 23.924 ( -4.464 -0.017 -5.996) 7.475 23.988 ( 5.389 0.222 1.575) 5.619 ======================= Grid point 396 (208/260) ======================= q-point: (-0.30 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( -8.412 6.226 12.551) 16.342 2.806 ( -8.892 7.494 11.798) 16.566 3.297 ( -1.202 4.051 -3.164) 5.278 3.316 ( 10.555 -1.473 5.113) 11.820 3.893 ( -3.320 -1.132 3.304) 4.819 4.132 ( 1.705 3.140 -3.178) 4.782 4.855 ( 11.680 -10.437 -5.956) 16.758 5.211 ( 9.028 -10.037 -2.126) 13.666 5.565 ( -13.193 0.195 9.079) 16.017 5.905 ( -5.545 9.560 4.806) 12.052 6.316 ( -5.947 3.814 7.965) 10.647 6.673 ( -1.210 7.217 1.426) 7.455 7.176 ( -1.624 6.082 -6.456) 9.017 7.325 ( 1.675 4.814 0.089) 5.098 7.754 ( -8.657 -2.467 5.650) 10.628 8.137 ( 5.670 7.179 6.603) 11.282 8.661 ( 5.385 4.287 3.449) 7.699 8.937 ( -3.703 -4.342 -6.563) 8.697 9.691 ( -12.564 8.995 4.296) 16.038 10.431 ( -2.704 3.658 1.918) 4.936 10.667 ( -10.591 6.344 6.122) 13.780 11.395 ( -7.461 -0.716 -2.452) 7.887 12.088 ( -6.470 20.864 7.356) 23.049 12.187 ( -7.073 12.057 -11.271) 17.956 13.501 ( 4.337 -10.556 6.282) 13.027 14.213 ( 14.042 -10.651 -8.032) 19.368 15.007 ( -4.964 -3.775 -1.190) 6.349 15.122 ( -0.410 -4.163 1.972) 4.625 17.409 ( -4.750 2.142 -13.457) 14.431 18.557 ( 9.964 -9.491 2.557) 13.997 18.833 ( 14.213 -1.981 0.609) 14.363 19.548 ( 14.220 5.344 1.331) 15.250 20.974 ( -23.667 -8.225 -25.779) 35.949 21.714 ( 9.671 -4.562 27.304) 29.323 23.829 ( -2.694 1.739 -7.043) 7.738 24.084 ( 3.596 2.897 1.171) 4.764 ======================= Grid point 397 (209/260) ======================= q-point: (-0.20 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -5.476 11.508 14.032) 18.956 2.707 ( -5.066 10.113 19.313) 22.381 3.227 ( -3.646 7.933 -1.047) 8.793 3.552 ( 11.248 3.921 2.079) 12.092 3.901 ( 3.263 0.725 3.639) 4.941 4.183 ( 4.490 2.940 -3.452) 6.381 5.024 ( 5.460 -7.036 -2.802) 9.336 5.231 ( -9.425 3.220 15.519) 18.440 5.449 ( 2.123 -15.729 -2.972) 16.148 5.787 ( -6.943 6.699 0.892) 9.689 6.247 ( -2.439 2.739 9.498) 10.182 6.654 ( -0.947 6.430 0.611) 6.528 7.072 ( -11.131 2.509 5.200) 12.540 7.273 ( -0.867 6.541 -14.647) 16.064 7.685 ( -0.581 7.719 12.198) 14.447 8.278 ( 7.004 7.401 3.858) 10.895 8.797 ( -7.884 -4.014 -7.204) 11.409 8.843 ( 9.963 5.495 6.795) 13.253 9.428 ( -13.561 8.193 0.280) 15.846 10.386 ( -2.466 2.702 7.632) 8.463 10.466 ( -10.176 1.730 -0.292) 10.326 11.259 ( -6.800 -1.782 3.888) 8.033 11.891 ( -8.464 17.242 -9.490) 21.424 12.119 ( -2.267 18.823 -1.062) 18.989 13.629 ( 6.597 -10.541 7.374) 14.458 14.447 ( 11.414 -13.023 -11.443) 20.756 14.892 ( -5.422 -1.332 -2.245) 6.017 15.106 ( -2.137 -5.527 2.694) 6.509 17.359 ( 2.161 -3.696 -8.345) 9.379 18.667 ( -0.217 -24.712 -2.237) 24.814 19.158 ( 16.209 2.678 -1.237) 16.475 19.695 ( -1.151 -2.338 -4.973) 5.615 20.662 ( 1.516 3.012 -9.729) 10.297 21.845 ( -2.713 -3.550 21.610) 22.067 23.810 ( 2.451 5.023 -5.059) 7.538 24.132 ( 1.129 5.542 -0.030) 5.656 ======================= Grid point 398 (210/260) ======================= q-point: (-0.10 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.347 ( -2.132 15.914 13.030) 20.678 2.638 ( -7.128 13.346 15.289) 21.510 3.217 ( 2.722 8.142 5.962) 10.452 3.721 ( 6.320 10.925 -8.148) 15.023 4.030 ( 7.244 -2.266 8.991) 11.766 4.295 ( 7.221 3.102 -0.078) 7.859 4.955 ( -11.272 4.870 15.815) 20.022 5.170 ( -1.409 -9.291 9.071) 13.061 5.480 ( 1.428 -9.955 -2.069) 10.267 5.663 ( -3.636 0.341 -9.009) 9.721 6.270 ( 1.771 2.513 10.304) 10.753 6.625 ( -2.844 2.940 -2.422) 4.754 6.832 ( -11.742 5.576 14.081) 19.164 7.281 ( 4.147 12.624 -17.118) 21.670 7.733 ( 1.614 11.953 14.973) 19.227 8.400 ( 3.023 6.529 0.584) 7.219 8.648 ( -2.057 -0.739 -8.489) 8.766 8.913 ( -9.292 9.872 1.044) 13.597 9.326 ( 7.148 1.399 7.399) 10.383 10.255 ( -10.001 -6.904 -9.323) 15.317 10.416 ( 3.430 6.604 14.209) 16.040 11.128 ( -7.156 -0.405 0.641) 7.196 11.787 ( -0.052 19.152 -7.065) 20.413 12.062 ( -2.471 15.921 -5.919) 17.164 13.778 ( 6.529 -9.964 8.628) 14.709 14.544 ( 0.010 -11.827 -16.699) 20.463 14.848 ( 2.794 -3.695 1.262) 4.801 15.052 ( -3.524 -5.610 0.906) 6.687 17.441 ( 6.056 -13.651 1.691) 15.029 18.425 ( -21.305 -23.073 -13.159) 34.050 19.427 ( 10.450 0.285 -0.090) 10.454 19.623 ( -0.914 -2.011 -3.222) 3.907 20.965 ( 25.987 1.942 -0.530) 26.065 21.703 ( -15.544 -3.106 13.980) 21.135 23.893 ( 6.233 8.261 -2.183) 10.577 24.127 ( -1.546 7.558 -1.337) 7.829 ======================= Grid point 399 (211/260) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -3.425 12.260 12.588) 17.902 2.881 ( 1.763 16.048 6.926) 17.568 3.464 ( 5.715 5.638 11.422) 13.961 3.975 ( -1.946 7.192 -14.548) 16.345 4.098 ( 0.992 -1.230 12.555) 12.654 4.459 ( 5.226 -3.256 -1.651) 6.375 4.883 ( -10.841 6.643 19.381) 23.179 4.989 ( -8.038 -1.133 5.841) 10.000 5.414 ( 10.834 -6.410 -5.885) 13.896 5.570 ( 5.146 -4.089 -11.399) 13.158 6.356 ( -1.456 1.210 7.546) 7.780 6.552 ( -1.930 0.890 -2.457) 3.249 6.894 ( -3.971 6.019 17.434) 18.867 7.602 ( 1.653 11.943 -16.056) 20.079 8.043 ( 3.164 8.954 15.049) 17.795 8.551 ( 3.060 8.204 -6.895) 11.145 8.675 ( -3.635 0.436 8.026) 8.822 8.982 ( -0.140 13.420 -1.432) 13.497 9.551 ( 12.170 -1.479 3.957) 12.882 9.822 ( -14.758 -7.503 -9.916) 19.298 10.775 ( 14.844 5.936 11.130) 19.480 10.981 ( -2.082 -3.628 -0.352) 4.198 12.268 ( 1.151 23.462 -5.105) 24.038 12.328 ( -1.076 17.066 -5.966) 18.111 13.668 ( 4.452 -13.383 8.213) 16.321 14.144 ( -5.228 -17.914 -15.113) 24.014 14.780 ( 0.347 -5.632 1.488) 5.836 14.923 ( 1.295 -3.452 -5.664) 6.758 17.037 ( -12.246 -16.479 20.292) 28.867 17.822 ( -0.226 -10.780 -21.678) 24.212 19.483 ( -1.960 -1.105 2.686) 3.504 19.640 ( 2.708 -0.363 -5.633) 6.260 21.320 ( -18.973 0.007 6.201) 19.961 21.452 ( 23.327 -3.462 -0.431) 23.587 24.155 ( 3.993 5.374 0.023) 6.695 24.220 ( -2.808 5.552 -2.933) 6.878 ======================= Grid point 400 (212/260) ======================= q-point: ( 0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -2.396 10.790 10.779) 15.439 2.991 ( 6.858 15.845 7.908) 18.991 3.597 ( 4.526 7.324 9.166) 12.576 3.881 ( -3.777 3.243 -14.949) 15.756 4.068 ( -5.149 -2.297 6.928) 8.932 4.444 ( -7.196 -4.190 -2.415) 8.670 4.754 ( -8.804 1.945 5.810) 10.726 4.807 ( -7.359 -5.913 13.648) 16.594 5.649 ( 13.137 -1.877 -1.934) 13.411 5.715 ( 10.282 1.878 -11.102) 15.248 6.318 ( -2.491 0.415 6.315) 6.801 6.572 ( 2.344 2.539 3.113) 4.651 6.859 ( -2.899 3.870 12.996) 13.867 7.580 ( 0.941 8.017 -13.663) 15.870 8.120 ( -1.040 10.441 11.729) 15.738 8.563 ( -1.815 2.426 -0.223) 3.038 8.610 ( 1.672 13.876 -0.554) 13.988 9.085 ( 5.706 8.642 2.102) 10.567 9.497 ( -13.489 -5.994 -5.362) 15.705 9.817 ( 13.171 -1.876 2.689) 13.573 10.969 ( 1.900 -3.641 -5.654) 6.989 11.212 ( 25.562 5.468 4.042) 26.451 12.119 ( -8.275 24.358 -6.341) 26.495 12.483 ( 11.231 15.296 -3.968) 19.387 13.727 ( -0.727 -14.165 6.484) 15.595 13.969 ( -8.382 -16.255 -12.347) 22.066 14.786 ( 0.493 -4.040 -0.554) 4.107 14.980 ( 4.887 -5.997 -4.081) 8.746 16.835 ( -11.514 -9.599 21.968) 26.595 17.906 ( 11.391 -15.332 -11.619) 22.357 19.392 ( -7.843 -0.422 0.967) 7.913 19.621 ( -3.245 -0.701 -4.093) 5.270 20.940 ( -19.518 3.844 4.040) 20.299 21.918 ( 23.192 -8.055 -3.504) 24.800 24.057 ( -9.613 5.228 -2.991) 11.345 24.248 ( 2.160 4.400 -0.925) 4.988 ======================= Grid point 401 (213/260) ======================= q-point: ( 0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 0.955 9.720 9.561) 13.668 3.148 ( 6.244 12.493 8.396) 16.296 3.652 ( -1.039 8.937 3.424) 9.627 3.768 ( -4.199 2.374 -13.326) 14.172 3.966 ( -6.198 -3.745 2.192) 7.566 4.249 ( -8.585 -4.748 -6.811) 11.943 4.544 ( -11.545 -8.108 2.020) 14.251 4.739 ( -5.748 -10.306 9.897) 15.401 5.856 ( 7.979 7.018 -1.626) 10.750 5.923 ( 12.604 2.282 -4.636) 13.622 6.326 ( 2.197 0.573 6.009) 6.424 6.625 ( 1.932 5.451 8.301) 10.117 6.849 ( -0.649 1.061 6.381) 6.501 7.609 ( 4.960 5.872 -10.766) 13.229 8.014 ( -9.767 7.664 7.273) 14.389 8.563 ( -3.532 12.788 3.913) 13.832 8.692 ( 8.279 5.555 -2.576) 10.298 9.011 ( -11.309 -3.067 -4.056) 12.400 9.457 ( 9.038 4.880 7.563) 12.755 10.092 ( 14.038 -0.845 2.162) 14.228 10.984 ( 0.313 -3.668 -7.462) 8.320 11.712 ( 21.481 5.136 -8.453) 23.648 11.984 ( -1.531 27.462 0.284) 27.506 12.705 ( 12.022 12.805 -4.317) 18.087 13.640 ( -8.337 -14.912 -5.267) 17.877 13.804 ( -6.589 -14.860 0.596) 16.266 14.809 ( 1.891 -1.817 0.262) 2.635 15.065 ( 4.155 -7.612 -3.653) 9.410 16.745 ( -1.803 -1.657 20.375) 20.521 18.151 ( 13.937 -19.053 -4.928) 24.116 19.183 ( -13.378 0.075 -1.045) 13.419 19.535 ( -3.409 -0.694 -0.171) 3.484 20.598 ( -16.139 7.434 4.195) 18.257 22.312 ( 17.564 -9.962 -8.626) 21.958 23.821 ( -13.017 3.055 -2.830) 13.667 24.261 ( -0.547 3.205 -1.410) 3.544 ======================= Grid point 402 (214/260) ======================= q-point: ( 0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 3.045 6.853 7.886) 10.883 3.242 ( 1.248 8.465 4.602) 9.716 3.552 ( -8.302 3.895 -6.756) 11.391 3.661 ( -5.269 8.431 -12.400) 15.893 3.848 ( -4.387 -5.687 6.875) 9.942 4.152 ( 0.295 -9.121 -8.069) 12.182 4.329 ( -10.135 -11.329 -0.232) 15.203 4.614 ( -8.000 -13.211 4.507) 16.089 5.994 ( 6.473 10.614 0.488) 12.442 6.124 ( 7.572 3.415 -0.022) 8.306 6.437 ( 7.781 1.712 3.930) 8.883 6.703 ( 4.101 7.131 8.923) 12.136 6.841 ( -1.877 1.023 5.448) 5.852 7.689 ( 2.819 5.944 -8.378) 10.652 7.855 ( -5.869 4.348 7.787) 10.677 8.464 ( -6.606 11.772 4.312) 14.171 8.649 ( -9.790 -12.942 -8.561) 18.348 8.986 ( 8.024 14.336 -0.667) 16.442 9.704 ( 11.676 4.352 11.750) 17.127 10.369 ( 13.555 0.176 0.413) 13.563 10.938 ( -3.112 -2.950 -2.255) 4.845 11.817 ( 0.542 18.939 -14.238) 23.700 12.209 ( 14.231 14.176 3.483) 20.387 12.913 ( 9.781 11.485 -7.300) 16.759 13.439 ( -8.846 -15.694 -7.488) 19.510 13.676 ( -8.057 -11.850 6.636) 15.791 14.855 ( 2.348 -1.215 1.919) 3.267 15.115 ( 1.863 -7.742 -3.758) 8.805 16.876 ( 11.155 2.513 15.066) 18.913 18.374 ( 8.310 -13.642 -3.413) 16.334 18.886 ( -14.779 -0.302 -2.619) 15.013 19.519 ( 0.086 -1.198 3.138) 3.360 20.349 ( -9.184 6.878 9.037) 14.605 22.512 ( 3.970 -9.193 -18.480) 21.019 23.596 ( -7.505 -0.741 2.408) 7.917 24.225 ( -2.504 2.002 -2.772) 4.238 ======================= Grid point 403 (215/260) ======================= q-point: ( 0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 3.315 2.013 5.200) 6.487 3.220 ( -3.829 4.875 -1.557) 6.391 3.331 ( -10.586 2.634 -9.792) 14.659 3.485 ( -8.976 2.938 -6.463) 11.444 3.877 ( 3.962 -2.353 9.198) 10.288 4.136 ( -6.996 -12.071 5.030) 14.831 4.209 ( 4.221 -10.698 -12.067) 16.670 4.488 ( -3.859 -12.156 -3.655) 13.268 6.106 ( 4.077 11.427 3.177) 12.541 6.217 ( 2.029 5.677 1.737) 6.274 6.607 ( 7.058 1.556 2.505) 7.650 6.758 ( -2.869 4.419 3.317) 6.226 6.875 ( 6.915 5.806 11.655) 14.743 7.597 ( -7.435 4.673 -4.887) 10.050 7.871 ( 1.642 4.265 7.204) 8.531 8.348 ( -6.137 10.279 7.190) 13.965 8.489 ( -3.058 -15.866 -9.253) 18.620 9.103 ( 3.411 14.155 -7.593) 16.421 9.918 ( 6.567 3.521 13.836) 15.714 10.584 ( 7.637 1.737 -7.283) 10.695 10.915 ( 1.309 0.647 12.350) 12.436 11.800 ( 0.503 16.535 -13.460) 21.326 12.391 ( 3.928 11.896 3.310) 12.958 12.978 ( -2.727 9.127 -13.768) 16.742 13.358 ( 3.845 -13.476 -0.511) 14.023 13.517 ( -9.605 -8.355 7.641) 14.848 14.903 ( 1.872 -1.668 2.939) 3.863 15.124 ( 0.015 -7.016 -3.831) 7.994 17.238 ( 22.326 3.843 7.637) 23.906 18.312 ( -14.688 -2.417 -5.183) 15.762 18.786 ( 7.731 -1.094 -1.586) 7.968 19.422 ( -12.300 3.307 -1.128) 12.786 20.382 ( 9.857 -2.717 21.385) 23.703 22.335 ( -15.313 -8.383 -27.398) 32.488 23.599 ( 5.772 -3.489 7.166) 9.841 24.152 ( -4.044 0.952 -4.815) 6.360 ======================= Grid point 404 (216/260) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.851 ( -0.114 -2.520 4.051) 4.773 3.033 ( -8.266 0.851 -7.564) 11.236 3.220 ( -4.015 3.038 0.473) 5.057 3.323 ( -4.513 4.284 -0.188) 6.225 3.959 ( -2.286 -10.943 6.473) 12.918 4.044 ( 2.023 0.847 1.398) 2.600 4.322 ( 8.295 -11.145 -6.401) 15.296 4.470 ( 4.081 -13.800 -12.099) 18.801 6.133 ( -3.842 9.785 5.846) 12.028 6.225 ( -0.829 9.123 1.429) 9.272 6.629 ( -5.367 3.613 7.490) 9.897 6.757 ( 2.469 2.414 1.933) 3.957 7.087 ( 10.899 6.543 9.024) 15.590 7.447 ( -5.745 4.092 -7.519) 10.309 7.871 ( -3.670 0.330 9.082) 9.801 8.262 ( -3.973 9.274 5.505) 11.494 8.491 ( 3.647 -13.434 -1.972) 14.059 9.082 ( -2.093 10.341 -14.429) 17.875 10.021 ( 0.460 4.462 16.393) 16.996 10.631 ( 0.568 3.887 -10.098) 10.835 11.016 ( 2.592 5.727 18.247) 19.300 11.735 ( -4.886 7.322 -14.488) 16.952 12.445 ( 2.178 15.163 7.845) 17.210 12.811 ( -9.049 6.230 -11.763) 16.096 13.352 ( -8.318 -7.170 6.857) 12.947 13.520 ( 10.542 -10.275 -1.029) 14.757 14.939 ( 1.019 -2.779 3.221) 4.374 15.104 ( -0.959 -5.590 -3.876) 6.870 17.744 ( 26.437 4.081 1.438) 26.788 17.970 ( -15.122 0.558 -9.189) 17.704 19.018 ( 5.529 5.180 1.699) 7.765 19.095 ( -10.413 2.706 -1.677) 10.889 20.754 ( 19.866 -8.188 28.081) 35.358 21.872 ( -23.501 -9.358 -29.308) 38.715 23.780 ( 9.675 -2.579 6.019) 11.683 24.047 ( -5.003 0.108 -7.268) 8.824 ======================= Grid point 405 (217/260) ======================= q-point: (-0.40 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.731 ( -8.113 2.080 4.633) 9.571 3.066 ( 7.688 -3.171 1.349) 8.426 3.080 ( -8.017 4.937 7.788) 12.219 3.334 ( 2.692 4.269 1.488) 5.262 3.894 ( -2.293 -4.684 1.531) 5.435 4.138 ( 4.615 2.087 -2.400) 5.605 4.471 ( 8.379 -8.028 -9.861) 15.228 4.607 ( 12.288 -20.538 -9.378) 25.705 5.975 ( -12.917 8.929 7.541) 17.420 6.190 ( -3.919 8.885 3.295) 10.254 6.529 ( -6.236 5.461 7.872) 11.431 6.784 ( -0.291 2.138 2.206) 3.086 7.300 ( 6.780 5.677 7.949) 11.891 7.355 ( -0.735 3.904 -10.550) 11.273 7.782 ( -6.671 -4.294 9.352) 12.264 8.233 ( 0.050 8.498 6.389) 10.632 8.577 ( 4.281 -6.820 2.931) 8.569 8.998 ( -2.150 5.768 -14.321) 15.588 10.008 ( -5.827 5.904 15.580) 17.651 10.586 ( -2.647 4.681 -9.415) 10.842 11.027 ( -6.248 10.303 15.711) 19.800 11.549 ( -9.699 -1.086 -10.547) 14.370 12.531 ( 2.900 19.751 9.095) 21.937 12.606 ( -8.465 9.522 -8.296) 15.204 13.244 ( -3.640 -9.706 5.202) 11.598 13.731 ( 11.225 -12.766 -3.236) 17.305 14.953 ( -0.521 -3.928 3.194) 5.089 15.072 ( -1.211 -3.960 -4.206) 5.903 17.675 ( -9.974 3.292 -12.922) 16.653 18.273 ( 22.694 3.718 -3.407) 23.247 18.687 ( -15.138 -3.089 3.009) 15.740 19.365 ( 15.806 5.406 2.181) 16.847 21.222 ( 19.374 -7.658 29.108) 35.795 21.330 ( -23.720 -8.210 -27.008) 36.871 23.919 ( -2.975 -0.171 -6.797) 7.422 23.987 ( 7.190 -0.487 1.366) 7.334 ======================= Grid point 406 (218/260) ======================= q-point: (-0.30 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( -1.449 9.245 11.146) 14.553 2.932 ( -7.708 4.081 13.075) 15.717 3.291 ( 10.336 -1.887 4.298) 11.352 3.398 ( 4.699 6.108 5.727) 9.602 3.900 ( 2.756 2.734 -1.651) 4.219 4.193 ( 2.523 2.784 -7.633) 8.507 4.622 ( 9.809 -11.437 -11.661) 19.052 4.862 ( 14.328 -19.823 -6.021) 25.189 5.697 ( -16.958 8.409 11.239) 22.013 6.076 ( -8.598 5.473 3.367) 10.734 6.426 ( -5.874 7.275 7.946) 12.271 6.764 ( -1.920 1.442 1.420) 2.789 7.294 ( -4.934 4.053 1.941) 6.674 7.374 ( 0.146 1.125 -7.837) 7.919 7.742 ( 1.717 2.228 11.919) 12.247 8.301 ( 4.913 7.499 8.699) 12.492 8.662 ( 3.273 -4.494 3.315) 6.473 8.941 ( -0.661 4.257 -10.302) 11.167 9.855 ( -12.749 6.700 10.490) 17.818 10.492 ( -4.862 2.200 -8.434) 9.980 10.854 ( -13.011 11.291 10.112) 19.976 11.356 ( -8.592 -2.926 0.804) 9.112 12.393 ( -8.790 12.412 -7.891) 17.135 12.607 ( 0.001 23.962 6.467) 24.819 13.251 ( 3.219 -13.298 4.816) 14.505 13.939 ( 10.920 -16.091 -6.377) 20.465 14.925 ( -3.052 -3.600 2.429) 5.308 15.040 ( -1.139 -3.666 -4.215) 5.701 17.490 ( -6.728 5.844 -13.438) 16.124 18.303 ( -9.028 -13.737 0.477) 16.445 18.844 ( 21.088 1.690 -1.772) 21.230 19.620 ( 8.129 1.669 -0.721) 8.330 20.865 ( -15.136 -2.381 -19.300) 24.642 21.613 ( 12.002 -4.883 26.750) 29.723 23.849 ( -0.437 0.448 -9.042) 9.064 24.135 ( 6.229 1.786 1.635) 6.683 ======================= Grid point 407 (219/260) ======================= q-point: (-0.20 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.690 ( 0.736 16.453 10.470) 19.516 2.857 ( -3.214 4.479 19.675) 20.433 3.353 ( -0.953 3.199 3.284) 4.683 3.652 ( 14.693 4.173 11.944) 19.389 3.971 ( 4.516 7.712 -5.727) 10.614 4.231 ( 3.947 1.576 -7.496) 8.617 4.798 ( 10.361 -12.113 -8.623) 18.122 5.101 ( 10.907 -16.801 -6.525) 21.067 5.386 ( -17.243 8.246 14.991) 24.291 5.875 ( -12.076 1.350 1.560) 12.251 6.351 ( -3.409 7.190 9.035) 12.039 6.723 ( -2.466 0.216 -0.951) 2.652 7.113 ( -12.182 1.507 11.716) 16.968 7.425 ( 7.490 7.938 -16.436) 19.729 7.845 ( 4.161 7.477 14.346) 16.704 8.443 ( 6.677 7.277 9.389) 13.627 8.671 ( -3.707 -6.360 -0.883) 7.414 8.973 ( 6.887 5.360 -4.075) 9.631 9.583 ( -15.866 6.290 5.687) 17.990 10.345 ( -8.265 -2.732 -11.627) 14.525 10.645 ( -9.175 11.396 12.577) 19.294 11.203 ( -8.320 -3.440 7.655) 11.818 12.236 ( -4.474 16.739 -9.265) 19.648 12.572 ( -4.270 23.253 1.886) 23.717 13.372 ( 7.176 -13.673 5.922) 16.538 14.117 ( 8.733 -19.018 -10.180) 23.272 14.854 ( -4.320 -2.129 1.581) 5.069 15.002 ( -1.923 -4.276 -4.224) 6.310 17.329 ( -7.442 1.286 -4.411) 8.746 18.171 ( -5.157 -22.515 -8.570) 24.636 19.215 ( 16.460 2.751 -3.298) 17.011 19.635 ( -4.061 -3.032 -5.244) 7.293 20.748 ( 6.340 4.590 -4.788) 9.176 21.772 ( -1.721 -3.309 19.202) 19.561 23.885 ( 5.826 2.484 -5.932) 8.677 24.231 ( 3.335 3.726 0.199) 5.005 ======================= Grid point 408 (220/260) ======================= q-point: (-0.10 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( -1.669 16.475 10.578) 19.650 2.871 ( -1.358 9.716 14.817) 17.770 3.360 ( 1.699 5.252 8.221) 9.902 3.941 ( 10.511 4.632 10.854) 15.803 4.019 ( 1.741 6.227 -7.861) 10.179 4.329 ( 7.128 -0.047 -3.542) 7.959 4.968 ( 6.411 -8.721 -0.196) 10.826 5.107 ( -13.852 8.841 15.670) 22.706 5.261 ( 7.278 -11.137 -6.446) 14.783 5.643 ( -9.776 -2.786 -3.475) 10.743 6.340 ( -0.058 4.275 8.485) 9.502 6.647 ( -4.985 -0.433 -3.874) 6.328 6.950 ( -6.973 5.062 16.894) 18.965 7.549 ( 7.627 12.771 -16.906) 22.519 7.951 ( 3.044 8.718 15.730) 18.240 8.560 ( -1.712 5.748 -2.345) 6.440 8.601 ( 4.464 -1.170 5.072) 6.857 9.093 ( -1.499 6.856 0.198) 7.020 9.366 ( -0.535 2.070 3.483) 4.087 10.114 ( -12.093 -5.609 -12.418) 18.218 10.592 ( 1.096 9.316 14.334) 17.130 11.067 ( -6.891 -4.414 6.000) 10.147 12.195 ( 2.484 19.592 -8.235) 21.397 12.462 ( -6.551 21.670 -2.517) 22.778 13.533 ( 7.118 -13.198 7.232) 16.648 14.208 ( 2.646 -20.169 -13.904) 24.640 14.787 ( -2.256 -2.495 2.083) 3.956 14.950 ( -1.963 -3.997 -5.179) 6.830 17.189 ( -7.628 -9.992 9.462) 15.734 17.992 ( -9.133 -17.748 -21.071) 29.024 19.448 ( 6.771 1.556 -0.984) 7.016 19.579 ( 1.688 -2.230 -3.517) 4.494 21.013 ( 19.169 2.365 0.648) 19.325 21.645 ( -13.846 -2.354 11.017) 17.850 24.023 ( 8.164 4.568 -2.120) 9.592 24.263 ( -0.125 5.142 -1.170) 5.275 ======================= Grid point 409 (221/260) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -5.127 4.192 13.771) 15.281 3.148 ( 3.530 8.088 2.934) 9.300 3.542 ( 6.516 1.806 13.804) 15.371 4.042 ( -2.143 0.610 -6.314) 6.695 4.134 ( -2.261 3.277 8.023) 8.956 4.338 ( -1.638 -6.115 7.186) 9.577 4.984 ( -5.630 4.071 -0.442) 6.961 5.054 ( -10.506 2.305 1.245) 10.828 5.333 ( 12.564 0.194 -3.283) 12.987 5.458 ( 9.976 -6.082 -4.437) 12.498 6.372 ( -3.377 0.365 5.068) 6.101 6.561 ( -0.186 0.102 -5.241) 5.245 6.983 ( -4.831 2.391 22.383) 23.023 7.772 ( -2.402 4.110 -13.703) 14.506 8.200 ( 5.804 6.072 7.655) 11.364 8.541 ( 3.292 -4.435 -7.623) 9.414 8.778 ( -1.546 4.784 15.441) 16.239 9.251 ( 3.137 11.639 3.262) 12.488 9.478 ( 13.048 -5.932 -2.533) 14.556 9.716 ( -16.514 -2.626 -10.433) 19.709 10.856 ( 4.875 1.881 8.804) 10.238 10.918 ( 5.401 -1.760 5.142) 7.662 12.641 ( 4.318 13.629 -0.210) 14.298 12.698 ( -5.290 11.900 -1.594) 13.120 13.436 ( 3.149 -6.101 1.201) 6.970 13.751 ( -2.181 -16.857 -13.851) 21.927 14.704 ( -1.286 -1.801 1.447) 2.644 14.876 ( 1.331 -1.160 -8.091) 8.281 16.805 ( -11.589 -5.788 20.705) 24.424 17.663 ( 0.645 -4.187 -24.743) 25.103 19.469 ( -1.984 -0.331 2.658) 3.333 19.635 ( 2.570 -0.156 -6.248) 6.757 21.324 ( -17.025 0.176 5.086) 17.770 21.406 ( 19.591 -1.110 1.059) 19.651 24.231 ( 5.319 1.962 0.127) 5.671 24.291 ( -4.281 1.540 -2.305) 5.101 ======================= Grid point 410 (222/260) ======================= q-point: ( 0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( -2.719 4.042 11.633) 12.612 3.253 ( 5.786 7.906 5.719) 11.344 3.705 ( 6.229 2.809 13.276) 14.931 3.914 ( -5.739 0.475 -15.273) 16.322 4.079 ( -7.075 3.826 9.996) 12.831 4.261 ( -8.118 -10.615 10.349) 16.902 4.761 ( -15.622 2.086 -2.490) 15.957 4.816 ( -10.382 0.245 -4.336) 11.254 5.639 ( 17.109 0.845 -3.074) 17.404 5.720 ( 14.704 -1.070 -3.475) 15.147 6.324 ( -2.104 0.206 4.440) 4.917 6.599 ( 4.304 0.373 -1.413) 4.545 6.922 ( -6.109 1.816 20.481) 21.450 7.692 ( -1.125 2.752 -12.886) 13.224 8.320 ( -1.924 9.193 6.392) 11.361 8.498 ( 1.988 -6.998 1.015) 7.346 8.818 ( 1.261 5.563 -0.060) 5.704 9.285 ( -10.507 6.342 -4.842) 13.194 9.441 ( 0.063 0.948 6.748) 6.815 9.762 ( 15.588 -3.122 -3.955) 16.382 10.895 ( 1.574 -2.451 0.636) 2.982 11.285 ( 25.360 1.744 1.405) 25.459 12.585 ( -4.938 17.840 -1.868) 18.605 12.749 ( 5.638 7.882 1.441) 9.797 13.460 ( -1.115 -9.858 0.210) 9.923 13.638 ( -5.311 -12.460 -12.455) 18.401 14.709 ( 1.417 -2.456 0.887) 2.971 14.909 ( 3.468 -1.438 -6.450) 7.463 16.695 ( -4.887 -3.623 23.883) 24.646 17.689 ( 7.446 -5.482 -17.124) 19.461 19.388 ( -7.275 -0.049 1.517) 7.432 19.609 ( -3.260 -0.361 -4.995) 5.976 20.998 ( -16.401 1.552 3.588) 16.860 21.805 ( 20.232 -2.861 -1.075) 20.461 24.131 ( -10.688 1.845 -3.465) 11.386 24.304 ( 1.478 1.233 0.210) 1.936 ======================= Grid point 411 (223/260) ======================= q-point: ( 0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 0.202 4.087 9.989) 10.794 3.375 ( 4.321 7.961 7.679) 11.875 3.766 ( -4.888 1.822 -12.894) 13.909 3.817 ( -0.371 2.540 10.758) 11.060 3.931 ( -8.375 0.645 2.798) 8.854 4.083 ( -10.362 -9.893 5.491) 15.342 4.459 ( -13.841 1.783 -6.251) 15.292 4.584 ( -11.394 -6.294 -7.112) 14.833 5.944 ( 13.628 2.223 1.343) 13.873 5.984 ( 12.708 1.925 -2.769) 13.148 6.332 ( 2.332 0.270 4.082) 4.709 6.698 ( 5.155 1.358 2.694) 5.973 6.864 ( -3.379 0.609 13.998) 14.413 7.694 ( 4.278 2.183 -11.992) 12.918 8.135 ( -13.010 3.511 6.404) 14.920 8.627 ( 0.294 -3.850 1.603) 4.180 8.774 ( -5.014 5.084 -2.868) 7.695 9.051 ( -2.010 2.229 -7.417) 8.001 9.595 ( 8.428 5.976 16.097) 19.127 10.064 ( 16.024 -1.471 -3.711) 16.513 10.912 ( -0.220 -2.374 -2.283) 3.301 11.795 ( 24.438 2.389 -8.249) 25.903 12.509 ( -1.803 21.859 -0.326) 21.936 12.865 ( 5.600 -1.135 3.307) 6.602 13.381 ( -5.891 -6.514 -6.328) 10.825 13.526 ( -3.880 -10.531 -3.741) 11.830 14.755 ( 2.818 -2.293 0.840) 3.729 14.968 ( 3.503 -2.006 -4.978) 6.409 16.729 ( 2.959 -0.164 22.975) 23.166 17.874 ( 14.218 -7.196 -10.023) 18.825 19.184 ( -13.517 0.052 -0.350) 13.522 19.524 ( -3.428 -0.317 -1.081) 3.608 20.707 ( -14.249 2.874 3.669) 14.992 22.165 ( 16.528 -3.828 -5.379) 17.798 23.862 ( -15.140 0.989 -3.565) 15.585 24.302 ( -1.415 0.965 -0.609) 1.818 ======================= Grid point 412 (224/260) ======================= q-point: ( 0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 0.430 3.679 7.666) 8.514 3.425 ( -1.773 8.215 5.909) 10.274 3.597 ( -9.792 1.131 -15.366) 18.256 3.734 ( -10.902 -1.404 1.969) 11.167 3.776 ( -3.802 -4.125 8.452) 10.144 3.998 ( -0.006 -3.181 -0.246) 3.191 4.205 ( -9.546 2.085 -9.207) 13.425 4.369 ( -8.142 -10.954 -5.788) 14.824 6.165 ( 7.851 2.808 6.548) 10.602 6.197 ( 9.358 5.033 -1.511) 10.732 6.438 ( 7.460 -0.983 1.204) 7.620 6.804 ( 4.142 1.581 1.628) 4.723 6.854 ( -0.048 1.188 12.800) 12.855 7.778 ( 4.163 2.384 -10.014) 11.104 7.915 ( -8.121 1.429 6.084) 10.248 8.442 ( -13.578 -5.537 0.499) 14.672 8.642 ( -7.377 4.565 -0.293) 8.680 9.192 ( 11.447 4.961 -10.552) 16.340 9.805 ( 8.326 3.906 18.445) 20.610 10.366 ( 15.196 -0.341 -3.357) 15.566 10.883 ( -1.675 -1.775 2.156) 3.256 12.090 ( 7.362 6.930 -16.582) 19.421 12.541 ( 4.406 16.362 1.852) 17.046 12.983 ( 5.235 -10.719 5.029) 12.945 13.244 ( -5.482 3.742 -7.662) 10.137 13.449 ( -4.125 -9.700 1.624) 10.665 14.814 ( 2.840 -1.889 0.926) 3.534 15.012 ( 1.985 -2.236 -4.141) 5.108 16.926 ( 12.705 1.677 16.761) 21.099 18.166 ( 15.731 -5.688 -4.711) 17.378 18.882 ( -15.407 -0.070 -2.543) 15.616 19.499 ( 0.201 -0.574 3.182) 3.239 20.458 ( -11.794 3.034 6.978) 14.035 22.370 ( 4.473 -3.876 -15.129) 16.246 23.584 ( -10.371 -0.335 1.494) 10.484 24.252 ( -3.278 0.644 -2.447) 4.141 ======================= Grid point 413 (225/260) ======================= q-point: ( 0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -1.369 1.712 4.856) 5.328 3.257 ( -13.246 -1.183 -9.382) 16.275 3.427 ( -5.138 7.427 0.776) 9.064 3.537 ( -8.826 0.735 -0.427) 8.867 3.763 ( -0.200 -7.036 5.347) 8.840 3.999 ( 0.663 -7.275 -7.953) 10.799 4.086 ( -0.267 5.877 -3.992) 7.109 4.262 ( -1.345 -10.087 -6.125) 11.877 6.288 ( 3.098 3.134 7.875) 9.024 6.334 ( 4.367 6.902 0.682) 8.196 6.591 ( 6.850 -2.396 0.719) 7.292 6.800 ( -2.549 0.602 2.867) 3.883 6.984 ( 8.300 3.460 10.103) 13.525 7.658 ( -9.012 1.248 -2.054) 9.327 7.974 ( 5.127 5.481 1.268) 7.611 8.210 ( -7.915 -10.040 0.386) 12.791 8.503 ( -6.786 3.983 2.849) 8.368 9.310 ( 3.013 5.331 -18.821) 19.792 9.987 ( 5.498 2.331 19.076) 19.988 10.604 ( 8.899 0.302 -7.407) 11.582 10.922 ( 5.089 0.159 15.067) 15.904 12.058 ( -5.209 7.324 -16.582) 18.861 12.627 ( 3.832 9.803 0.479) 10.536 13.022 ( -3.911 -8.233 -2.382) 9.421 13.200 ( 3.297 2.858 1.741) 4.698 13.368 ( -4.787 -5.672 4.319) 8.588 14.864 ( 1.943 -1.574 0.976) 2.684 15.026 ( 0.551 -2.230 -3.994) 4.607 17.303 ( 22.488 1.933 7.566) 23.805 18.271 ( -9.871 -1.261 -3.437) 10.528 18.773 ( 10.908 -0.287 -2.509) 11.197 19.459 ( -8.239 0.607 0.577) 8.281 20.358 ( 1.650 -0.137 18.389) 18.464 22.203 ( -15.850 -3.735 -26.020) 30.695 23.548 ( 5.187 -1.312 7.861) 9.509 24.165 ( -4.694 0.317 -5.084) 6.927 ======================= Grid point 414 (226/260) ======================= q-point: (-0.50 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( -2.205 -1.159 4.114) 4.809 3.018 ( -7.239 -1.184 -7.275) 10.331 3.297 ( -8.434 3.652 4.479) 10.224 3.434 ( -1.982 3.956 2.237) 4.958 3.786 ( 2.248 -3.631 0.760) 4.338 4.040 ( 6.548 -9.991 -9.970) 15.560 4.131 ( 4.330 4.476 -2.449) 6.692 4.267 ( 2.970 -7.805 -8.883) 12.192 6.305 ( -4.232 6.118 6.351) 9.782 6.356 ( -2.265 2.477 3.903) 5.148 6.676 ( 0.755 1.521 3.939) 4.289 6.769 ( -0.320 -0.710 1.803) 1.964 7.193 ( 10.186 3.089 8.132) 13.395 7.500 ( -5.861 1.081 -5.186) 7.900 7.900 ( -10.091 1.937 6.189) 11.996 8.265 ( 9.105 -7.220 2.074) 11.804 8.399 ( -4.557 3.594 5.139) 7.752 9.239 ( -4.077 4.193 -22.059) 22.821 10.097 ( 0.946 2.251 18.877) 19.035 10.684 ( 2.089 1.292 -8.074) 8.440 11.104 ( 6.737 2.404 19.443) 20.717 11.837 ( -13.131 2.613 -14.702) 19.885 12.724 ( 6.348 9.972 1.911) 11.974 12.891 ( -6.965 1.236 -6.393) 9.535 13.240 ( -4.245 -3.607 7.139) 9.056 13.334 ( 3.149 -6.037 3.687) 7.743 14.893 ( 0.763 -1.358 1.270) 2.010 15.021 ( 0.060 -2.159 -4.573) 5.058 17.811 ( 27.235 1.976 -0.221) 27.308 17.972 ( -14.353 -0.142 -7.800) 16.336 19.102 ( 15.274 2.509 0.982) 15.510 19.139 ( -19.390 1.184 -1.316) 19.471 20.626 ( 17.973 -3.594 28.066) 33.521 21.730 ( -23.623 -3.862 -28.448) 37.178 23.742 ( 10.986 -0.993 7.123) 13.131 24.048 ( -5.509 -0.020 -8.137) 9.827 ======================= Grid point 415 (227/260) ======================= q-point: (-0.40 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( -0.999 2.429 7.137) 7.605 2.976 ( 2.598 -3.490 0.006) 4.351 3.168 ( -5.010 2.007 8.010) 9.659 3.437 ( 1.043 3.904 6.196) 7.397 3.871 ( 6.861 3.255 -2.516) 8.000 4.199 ( 9.054 -0.719 -13.128) 15.963 4.222 ( 7.737 -9.684 -2.051) 12.564 4.323 ( 5.327 -6.688 -12.087) 14.806 6.134 ( -13.858 5.545 7.804) 16.843 6.283 ( -6.584 0.468 5.198) 8.401 6.659 ( -2.759 6.816 4.092) 8.415 6.771 ( -0.978 -3.359 1.985) 4.022 7.372 ( 3.648 1.480 8.386) 9.264 7.413 ( -1.074 1.476 -9.140) 9.320 7.744 ( -4.572 0.091 6.434) 7.894 8.350 ( -2.535 1.958 17.388) 17.681 8.455 ( 9.106 -2.984 -2.959) 10.029 9.102 ( -4.099 3.034 -18.413) 19.106 10.099 ( -5.405 2.446 17.225) 18.218 10.655 ( -2.960 1.799 -10.561) 11.115 11.213 ( -1.326 6.322 20.339) 21.340 11.509 ( -15.793 -2.126 -10.715) 19.203 12.744 ( -6.049 5.150 -6.310) 10.146 12.880 ( 8.051 7.130 2.739) 11.098 13.143 ( -6.100 5.275 6.751) 10.518 13.435 ( 5.796 -15.631 1.320) 16.723 14.899 ( -0.632 -1.286 1.983) 2.447 15.008 ( -0.259 -1.886 -5.738) 6.046 17.728 ( -6.907 1.482 -12.429) 14.296 18.331 ( 21.422 1.627 -6.561) 22.463 18.641 ( -22.616 -1.254 3.576) 22.932 19.445 ( 14.434 2.084 1.599) 14.671 21.100 ( 21.109 -3.357 29.652) 36.553 21.215 ( -20.675 -2.916 -24.875) 32.477 23.921 ( -3.803 0.233 -9.738) 10.456 23.972 ( 9.697 -0.655 3.767) 10.423 ======================= Grid point 416 (228/260) ======================= q-point: (-0.30 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( 2.835 5.479 13.945) 15.249 3.006 ( -0.956 4.853 5.699) 7.546 3.202 ( 5.655 -6.476 8.018) 11.755 3.509 ( 4.658 3.190 12.608) 13.815 4.037 ( 10.233 9.863 -4.890) 15.030 4.245 ( 1.676 1.821 -11.357) 11.623 4.426 ( 9.032 -6.650 -13.139) 17.275 4.479 ( 15.452 -15.140 -8.149) 23.117 5.840 ( -17.512 4.491 11.305) 21.322 6.117 ( -11.550 -0.277 5.060) 12.613 6.596 ( -4.620 8.162 4.589) 10.441 6.732 ( -2.982 -4.295 1.083) 5.340 7.308 ( -9.671 -0.646 10.120) 14.013 7.426 ( 5.174 2.227 -13.037) 14.202 7.815 ( 7.525 3.223 7.411) 11.043 8.376 ( 0.419 -0.428 20.982) 20.990 8.593 ( 5.380 -0.592 -2.579) 5.995 9.019 ( -0.365 2.186 -12.688) 12.880 9.953 ( -13.206 2.529 14.214) 19.566 10.524 ( -7.374 0.881 -13.410) 15.329 11.080 ( -13.561 9.340 3.516) 16.837 11.275 ( -8.598 -4.940 12.706) 16.117 12.629 ( -4.099 9.445 -5.162) 11.517 12.991 ( -1.325 -10.106 2.924) 10.604 13.088 ( 3.124 21.901 3.789) 22.445 13.564 ( 7.456 -19.681 -3.346) 21.310 14.875 ( -2.380 -1.186 2.628) 3.739 14.982 ( -0.927 -1.691 -7.158) 7.413 17.630 ( -1.485 6.428 -16.004) 17.310 18.047 ( -24.452 -9.425 1.973) 26.280 18.875 ( 22.714 0.934 -3.764) 23.043 19.631 ( 3.530 -0.033 -2.227) 4.174 20.852 ( -9.013 0.282 -15.161) 17.640 21.534 ( 14.085 -2.246 26.510) 30.103 23.853 ( 0.641 0.085 -10.510) 10.530 24.157 ( 7.704 0.451 2.355) 8.068 ======================= Grid point 417 (229/260) ======================= q-point: (-0.20 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -0.248 1.046 19.131) 19.161 3.028 ( 2.616 14.525 4.088) 15.314 3.320 ( 3.723 -6.325 8.767) 11.434 3.696 ( 10.036 0.747 19.278) 21.746 4.197 ( 6.088 10.838 -8.280) 14.936 4.249 ( 2.020 0.344 -9.649) 9.864 4.609 ( 13.223 -4.566 -12.657) 18.865 4.773 ( 15.900 -13.336 -8.962) 22.605 5.529 ( -16.543 4.492 13.655) 21.916 5.862 ( -15.369 -1.431 5.142) 16.269 6.507 ( -5.391 6.797 6.571) 10.883 6.676 ( -2.420 -3.926 -2.648) 5.318 7.135 ( -9.529 0.567 12.860) 16.015 7.562 ( 11.824 4.173 -16.128) 20.429 7.980 ( 6.335 4.988 10.132) 12.949 8.436 ( -0.337 -5.325 20.714) 21.391 8.664 ( 3.499 3.501 -2.854) 5.714 9.040 ( 5.239 1.302 -8.374) 9.963 9.670 ( -17.375 2.140 11.404) 20.893 10.313 ( -10.593 -0.511 -15.059) 18.419 10.855 ( -8.984 7.500 4.102) 12.401 11.124 ( -10.602 -3.725 17.467) 20.770 12.567 ( -0.990 14.114 -3.900) 14.677 12.912 ( -5.205 -0.170 1.820) 5.517 13.213 ( 6.812 8.318 1.381) 10.839 13.694 ( 6.697 -20.461 -8.160) 23.024 14.820 ( -3.743 -0.909 2.622) 4.659 14.939 ( -1.489 -1.644 -8.295) 8.587 17.413 ( -19.668 5.905 3.775) 20.879 17.786 ( -0.659 -13.490 -18.308) 22.751 19.260 ( 17.166 1.321 -5.023) 17.935 19.586 ( -5.008 -1.441 -4.356) 6.792 20.821 ( 6.927 2.067 -2.993) 7.824 21.721 ( -0.677 -1.362 17.788) 17.853 23.917 ( 7.611 0.759 -6.481) 10.025 24.280 ( 4.500 1.133 0.632) 4.684 ======================= Grid point 418 (230/260) ======================= q-point: (-0.10 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( -3.692 3.633 16.835) 17.614 3.092 ( 2.384 9.922 2.585) 10.526 3.409 ( 3.765 -0.452 12.121) 12.701 3.936 ( 8.617 -0.802 18.168) 20.124 4.207 ( -2.056 6.437 -10.497) 12.484 4.301 ( 3.739 -1.855 -1.421) 4.409 4.871 ( 14.779 0.063 -9.405) 17.518 5.044 ( 12.678 -8.726 -8.119) 17.401 5.280 ( -10.415 6.541 11.043) 16.529 5.560 ( -15.323 -4.168 4.175) 16.419 6.428 ( -4.064 3.464 6.491) 8.405 6.616 ( -2.873 -1.950 -6.278) 7.174 7.024 ( -5.299 1.937 18.583) 19.421 7.757 ( 9.095 5.979 -16.889) 20.093 8.098 ( 3.405 5.550 11.175) 12.933 8.457 ( 1.810 -6.242 2.988) 7.153 8.744 ( 2.923 5.445 10.991) 12.610 9.177 ( 9.036 1.584 -5.988) 10.955 9.396 ( -10.092 0.694 8.497) 13.211 10.043 ( -13.573 -1.459 -14.141) 19.655 10.764 ( -1.269 6.574 8.316) 10.676 10.968 ( -7.871 -4.564 12.536) 15.490 12.574 ( 2.361 16.011 -2.239) 16.339 12.809 ( -5.504 5.752 -0.091) 7.962 13.342 ( 5.867 -0.013 0.958) 5.945 13.771 ( 3.122 -19.672 -11.897) 23.201 14.750 ( -3.595 -0.939 2.141) 4.288 14.894 ( -0.888 -1.429 -8.767) 8.927 17.052 ( -17.707 -3.307 14.747) 23.280 17.736 ( -0.514 -6.636 -27.584) 28.375 19.483 ( 1.405 1.602 -0.529) 2.196 19.536 ( 6.480 -1.768 -4.680) 8.186 21.050 ( 15.508 1.023 1.281) 15.594 21.612 ( -12.554 -0.858 9.414) 15.715 24.084 ( 9.212 1.483 -2.030) 9.549 24.331 ( 0.546 1.605 -0.800) 1.874 ======================= Grid point 459 (231/260) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -0.863 0.000 -6.804) 6.858 2.186 ( 0.863 0.000 6.804) 6.858 3.232 ( -7.494 0.000 -7.860) 10.860 3.232 ( 7.494 0.000 7.860) 10.860 4.332 ( 0.591 0.000 -2.463) 2.533 4.332 ( -0.591 0.000 2.463) 2.533 5.359 ( 0.778 0.000 -19.838) 19.854 5.359 ( -0.778 0.000 19.838) 19.854 5.573 ( -2.512 0.000 -9.853) 10.168 5.573 ( 2.512 0.000 9.853) 10.168 6.390 ( 1.639 0.000 -8.163) 8.326 6.390 ( -1.639 0.000 8.163) 8.326 6.721 ( 7.702 0.000 -13.926) 15.914 6.721 ( -7.702 0.000 13.926) 15.914 7.799 ( -5.424 0.000 -20.155) 20.872 7.799 ( 5.424 0.000 20.155) 20.872 8.522 ( 15.749 0.000 -9.132) 18.205 8.522 ( -15.749 0.000 9.132) 18.205 10.101 ( -17.195 0.000 -20.843) 27.020 10.101 ( 17.195 0.000 20.843) 27.020 10.445 ( -4.308 0.000 0.808) 4.383 10.445 ( 4.308 0.000 -0.808) 4.383 11.608 ( 6.223 0.000 -7.116) 9.453 11.608 ( -6.223 0.000 7.116) 9.453 14.297 ( -6.220 0.000 -11.627) 13.186 14.297 ( 6.220 0.000 11.627) 13.186 15.152 ( -8.383 0.000 2.040) 8.628 15.152 ( 8.383 0.000 -2.040) 8.628 18.224 ( -34.845 0.000 2.490) 34.934 18.224 ( 34.845 0.000 -2.490) 34.934 19.616 ( 0.407 0.000 -2.140) 2.178 19.616 ( -0.407 0.000 2.140) 2.178 21.589 ( -35.560 0.000 11.214) 37.286 21.589 ( 35.560 0.000 -11.214) 37.286 23.747 ( -5.962 0.000 -4.714) 7.600 23.747 ( 5.962 0.000 4.714) 7.600 ======================= Grid point 461 (232/260) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 7.816 0.000 -5.391) 9.495 2.311 ( 9.685 0.000 6.972) 11.933 3.070 ( -6.509 0.000 -13.399) 14.897 3.405 ( 9.009 0.000 1.671) 9.162 4.245 ( -7.490 0.000 -7.415) 10.539 4.251 ( -6.580 0.000 -0.557) 6.604 5.346 ( 2.045 0.000 -18.976) 19.086 5.389 ( -2.824 0.000 20.635) 20.827 5.555 ( 3.927 0.000 -10.518) 11.227 5.687 ( 6.601 0.000 10.256) 12.197 6.345 ( -4.374 0.000 6.889) 8.161 6.369 ( -1.582 0.000 -4.993) 5.237 6.684 ( 0.023 0.000 10.610) 10.610 6.921 ( 14.732 0.000 -10.358) 18.008 7.677 ( -2.623 0.000 -14.853) 15.083 7.949 ( 2.941 0.000 20.810) 21.017 8.316 ( -5.897 0.000 13.380) 14.621 8.845 ( 18.729 0.000 -11.150) 21.797 9.695 ( -17.548 0.000 -19.631) 26.331 10.329 ( 3.110 0.000 11.044) 11.474 10.442 ( 3.036 0.000 -2.951) 4.234 10.718 ( 21.740 0.000 4.356) 22.172 11.498 ( -6.374 0.000 4.425) 7.759 11.712 ( 6.831 0.000 -12.250) 14.026 14.148 ( -6.468 0.000 -10.555) 12.379 14.445 ( 5.645 0.000 12.281) 13.516 14.974 ( -9.716 0.000 0.385) 9.723 15.289 ( 6.289 0.000 -3.803) 7.349 17.616 ( -27.690 0.000 11.404) 29.947 18.895 ( 29.770 0.000 4.902) 30.171 19.563 ( -5.165 0.000 -2.704) 5.830 19.574 ( -2.679 0.000 3.917) 4.746 20.860 ( -38.801 0.000 5.848) 39.240 22.146 ( 23.841 0.000 -18.513) 30.185 23.633 ( -4.008 0.000 -4.004) 5.666 23.873 ( 5.625 0.000 3.336) 6.540 ======================= Grid point 462 (233/260) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( 12.076 0.000 -3.068) 12.460 2.556 ( 12.586 0.000 1.628) 12.691 2.934 ( -3.180 0.000 -11.234) 11.675 3.560 ( 4.677 0.000 -3.122) 5.624 4.080 ( -3.952 0.000 -11.301) 11.972 4.123 ( -5.379 0.000 -1.168) 5.505 5.310 ( -8.639 0.000 11.934) 14.733 5.334 ( 0.001 0.000 -12.084) 12.084 5.661 ( 7.335 0.000 -5.821) 9.364 5.851 ( 7.067 0.000 6.160) 9.375 6.268 ( -4.203 0.000 5.285) 6.753 6.336 ( -0.543 0.000 -1.571) 1.663 6.729 ( 1.585 0.000 9.219) 9.355 7.187 ( 11.665 0.000 -5.104) 12.733 7.646 ( 3.258 0.000 -9.407) 9.956 7.948 ( -4.646 0.000 10.026) 11.051 8.401 ( 7.117 0.000 27.121) 28.039 9.135 ( 9.641 0.000 -22.438) 24.421 9.394 ( -4.618 0.000 -10.885) 11.824 10.377 ( 0.401 0.000 4.734) 4.751 10.543 ( 8.195 0.000 -4.482) 9.340 11.178 ( 21.284 0.000 9.915) 23.480 11.387 ( -4.795 0.000 1.968) 5.183 11.823 ( 8.117 0.000 -18.364) 20.078 13.994 ( -6.971 0.000 -8.870) 11.281 14.509 ( -5.237 0.000 10.320) 11.573 14.839 ( -0.844 0.000 2.094) 2.258 15.376 ( 3.486 0.000 -5.416) 6.441 17.224 ( -15.041 0.000 15.728) 21.762 19.113 ( -9.317 0.000 -1.534) 9.442 19.410 ( -9.305 0.000 -4.036) 10.142 19.653 ( -1.564 0.000 4.549) 4.810 20.296 ( -7.897 0.000 16.300) 18.112 22.408 ( 7.804 0.000 -25.310) 26.486 23.601 ( 1.789 0.000 -0.985) 2.042 23.975 ( 4.138 0.000 1.172) 4.301 ======================= Grid point 463 (234/260) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 12.223 0.000 -0.899) 12.256 2.710 ( 4.865 0.000 -17.024) 17.705 2.978 ( 7.305 0.000 8.787) 11.427 3.481 ( -10.348 0.000 -5.503) 11.720 4.064 ( 0.538 0.000 -1.238) 1.350 4.152 ( 12.933 0.000 -12.564) 18.031 5.117 ( -12.598 0.000 3.452) 13.062 5.272 ( -5.405 0.000 -0.087) 5.405 5.781 ( 5.849 0.000 -4.751) 7.535 5.942 ( 0.920 0.000 -0.450) 1.024 6.248 ( 1.745 0.000 3.902) 4.275 6.345 ( 1.418 0.000 0.599) 1.539 6.783 ( 1.761 0.000 11.583) 11.716 7.274 ( -0.934 0.000 -6.591) 6.657 7.771 ( 8.543 0.000 -1.140) 8.619 7.891 ( -2.527 0.000 6.280) 6.769 8.619 ( 7.266 0.000 30.567) 31.418 9.047 ( -3.766 0.000 -26.049) 26.320 9.538 ( 12.952 0.000 -9.481) 16.051 10.356 ( -3.809 0.000 1.701) 4.172 10.738 ( 12.401 0.000 -5.467) 13.553 11.278 ( -5.494 0.000 16.407) 17.303 11.614 ( 18.387 0.000 1.088) 18.419 11.941 ( 8.643 0.000 -23.079) 24.645 13.846 ( -5.742 0.000 -6.525) 8.692 14.301 ( -14.770 0.000 6.510) 16.141 14.941 ( 7.173 0.000 6.678) 9.800 15.395 ( -0.149 0.000 -7.015) 7.017 17.112 ( 0.156 0.000 14.966) 14.967 18.756 ( -23.583 0.000 -5.482) 24.212 19.198 ( -10.568 0.000 -5.546) 11.935 19.302 ( -21.281 0.000 -0.176) 21.282 20.668 ( 25.373 0.000 29.801) 39.139 22.357 ( -5.474 0.000 -29.089) 29.600 23.691 ( 6.576 0.000 1.304) 6.704 24.033 ( 1.604 0.000 -0.909) 1.843 ======================= Grid point 464 (235/260) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( 7.662 0.000 -11.878) 14.135 2.896 ( 9.926 0.000 -1.051) 9.981 3.105 ( 1.578 0.000 7.272) 7.441 3.226 ( -13.251 0.000 -2.671) 13.518 4.168 ( 10.412 0.000 -0.538) 10.426 4.423 ( 14.590 0.000 -8.685) 16.979 4.854 ( -12.219 0.000 -7.374) 14.272 5.106 ( -12.916 0.000 11.870) 17.542 5.862 ( 3.377 0.000 -3.514) 4.873 5.926 ( -1.023 0.000 -2.677) 2.865 6.320 ( 3.841 0.000 0.352) 3.858 6.377 ( 0.878 0.000 2.262) 2.426 6.867 ( 4.232 0.000 12.889) 13.566 7.174 ( -6.405 0.000 -9.142) 11.163 7.880 ( 0.002 0.000 4.163) 4.163 7.886 ( 2.646 0.000 0.611) 2.716 8.804 ( 4.269 0.000 29.374) 29.683 8.965 ( 0.729 0.000 -24.413) 24.424 9.768 ( 13.055 0.000 -9.768) 16.304 10.227 ( -9.552 0.000 1.664) 9.696 10.968 ( 11.813 0.000 -8.786) 14.722 11.218 ( -5.028 0.000 17.460) 18.169 11.907 ( 10.201 0.000 7.309) 12.549 12.037 ( 5.938 0.000 -22.791) 23.552 13.766 ( -0.437 0.000 -4.606) 4.627 14.028 ( -13.578 0.000 5.819) 14.772 15.096 ( 6.557 0.000 8.086) 10.411 15.340 ( -3.433 0.000 -8.298) 8.980 17.293 ( 14.637 0.000 11.867) 18.843 18.233 ( -26.906 0.000 -7.798) 28.013 18.989 ( -10.673 0.000 3.793) 11.327 18.998 ( -7.671 0.000 -6.454) 10.025 21.226 ( 23.270 0.000 31.873) 39.464 22.098 ( -13.217 0.000 -30.802) 33.518 23.833 ( 6.938 0.000 2.416) 7.347 24.029 ( -1.680 0.000 -2.358) 2.896 ======================= Grid point 465 (236/260) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -9.757 0.000 0.537) 9.772 2.955 ( 9.757 0.000 -0.537) 9.772 3.072 ( -3.956 0.000 0.074) 3.956 3.072 ( 3.956 0.000 -0.074) 3.956 4.426 ( -13.677 0.000 2.548) 13.912 4.426 ( 13.677 0.000 -2.548) 13.912 4.849 ( 15.225 0.000 -20.162) 25.265 4.849 ( -15.225 0.000 20.162) 25.265 5.902 ( -1.343 0.000 0.269) 1.370 5.902 ( 1.343 0.000 -0.269) 1.370 6.375 ( 1.785 0.000 -2.446) 3.029 6.375 ( -1.785 0.000 2.446) 3.029 7.010 ( -7.171 0.000 -11.404) 13.471 7.010 ( 7.171 0.000 11.404) 13.471 7.897 ( -0.579 0.000 -1.841) 1.930 7.897 ( 0.579 0.000 1.841) 1.930 8.917 ( -0.634 0.000 -26.245) 26.253 8.917 ( 0.634 0.000 26.245) 26.253 10.008 ( 12.957 0.000 -5.418) 14.045 10.008 ( -12.957 0.000 5.418) 14.045 11.135 ( 7.767 0.000 -14.283) 16.258 11.135 ( -7.767 0.000 14.283) 16.258 12.044 ( -1.155 0.000 -15.870) 15.912 12.044 ( 1.155 0.000 15.870) 15.912 13.826 ( 7.687 0.000 -4.759) 9.040 13.826 ( -7.687 0.000 4.759) 9.040 15.232 ( -5.342 0.000 -8.693) 10.203 15.232 ( 5.342 0.000 8.693) 10.203 17.706 ( -23.934 0.000 -9.247) 25.658 17.706 ( 23.934 0.000 9.247) 25.658 18.900 ( -0.109 0.000 -5.984) 5.985 18.900 ( 0.109 0.000 5.984) 5.985 21.712 ( -18.667 0.000 -31.837) 36.906 21.712 ( 18.667 0.000 31.837) 36.906 23.958 ( -4.869 0.000 -2.857) 5.645 23.958 ( 4.869 0.000 2.857) 5.645 ======================= Grid point 471 (237/260) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( -2.528 10.184 -6.454) 12.319 2.296 ( 2.528 10.184 6.454) 12.319 3.320 ( -4.296 7.997 -9.887) 13.422 3.320 ( 4.296 7.997 9.887) 13.422 4.327 ( 0.658 -0.527 -4.844) 4.916 4.327 ( -0.658 -0.527 4.844) 4.916 5.311 ( 1.254 -3.503 -22.955) 23.255 5.311 ( -1.254 -3.503 22.955) 23.255 5.528 ( 1.076 -4.637 -11.647) 12.583 5.528 ( -1.076 -4.637 11.647) 12.583 6.428 ( 0.347 2.857 -7.635) 8.159 6.428 ( -0.347 2.857 7.635) 8.159 6.803 ( 6.840 7.800 -14.557) 17.876 6.803 ( -6.840 7.800 14.557) 17.876 7.903 ( -5.543 9.478 -18.953) 21.903 7.903 ( 5.543 9.478 18.953) 21.903 8.560 ( 14.563 3.679 -7.651) 16.858 8.560 ( -14.563 3.679 7.651) 16.858 9.973 ( -13.620 -8.944 -16.469) 23.168 9.973 ( 13.620 -8.944 16.469) 23.168 10.612 ( -8.249 12.071 -8.327) 16.826 10.612 ( 8.249 12.071 8.327) 16.826 11.656 ( 2.849 5.262 -8.184) 10.138 11.656 ( -2.849 5.262 8.184) 10.138 14.262 ( -6.149 -3.645 -12.301) 14.227 14.262 ( 6.149 -3.645 12.301) 14.227 15.099 ( -3.535 -4.949 -0.679) 6.119 15.099 ( 3.535 -4.949 0.679) 6.119 18.091 ( -22.113 -12.330 -3.897) 25.617 18.091 ( 22.113 -12.330 3.897) 25.617 19.602 ( 0.049 -1.249 -2.407) 2.712 19.602 ( -0.049 -1.249 2.407) 2.712 21.542 ( -28.342 -3.828 7.257) 29.506 21.542 ( 28.342 -3.828 -7.257) 29.506 23.839 ( -5.857 7.944 -3.032) 10.325 23.839 ( 5.857 7.944 3.032) 10.325 ======================= Grid point 473 (238/260) ======================= q-point: ( 0.10 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 4.313 6.335 -2.769) 8.149 2.462 ( 11.042 12.019 3.903) 16.781 3.175 ( -6.358 9.696 -11.924) 16.632 3.456 ( 6.748 4.526 1.118) 8.202 4.232 ( -7.559 -1.281 -5.651) 9.524 4.255 ( -6.332 0.375 -1.717) 6.571 5.256 ( -3.245 -6.647 -0.664) 7.427 5.377 ( 2.357 -1.005 2.204) 3.380 5.561 ( 5.817 -4.859 0.595) 7.603 5.598 ( 4.625 -3.681 -0.525) 5.935 6.341 ( -4.337 1.822 0.953) 4.800 6.473 ( 0.330 6.089 1.177) 6.210 6.758 ( -1.299 7.038 11.677) 13.696 6.972 ( 13.145 5.045 -11.642) 18.270 7.768 ( -3.776 8.411 -12.745) 15.730 8.061 ( 3.538 10.127 16.928) 20.040 8.368 ( -4.783 4.851 11.923) 13.732 8.868 ( 17.533 2.296 -8.982) 19.833 9.622 ( -16.358 -6.079 -15.918) 23.620 10.221 ( 8.185 -8.338 12.584) 17.172 10.522 ( 0.570 8.099 -10.850) 13.551 10.907 ( 19.016 13.482 5.783) 24.017 11.515 ( -7.531 2.548 2.892) 8.460 11.793 ( 7.963 8.108 -9.135) 14.581 14.103 ( -7.049 -4.484 -10.352) 13.302 14.407 ( 4.756 -4.100 12.431) 13.927 14.934 ( -8.319 -3.492 0.328) 9.029 15.236 ( 6.321 -5.101 -3.589) 8.880 17.536 ( -24.990 -7.239 11.148) 28.305 18.727 ( 29.962 -16.497 4.659) 34.519 19.470 ( -10.454 -4.176 -0.051) 11.257 19.613 ( -0.935 0.356 0.493) 1.115 20.876 ( -34.309 1.691 4.775) 34.681 22.081 ( 23.540 -5.790 -15.949) 29.018 23.718 ( -5.282 7.271 -2.457) 9.317 23.950 ( 4.729 6.796 1.780) 8.469 ======================= Grid point 474 (239/260) ======================= q-point: ( 0.20 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 9.967 2.176 -1.868) 10.371 2.700 ( 11.097 10.898 -0.359) 15.558 3.037 ( -3.706 9.589 -10.164) 14.456 3.562 ( 2.469 0.106 -3.490) 4.276 4.073 ( -3.993 -0.869 -10.204) 10.992 4.127 ( -5.357 0.376 -1.031) 5.468 5.157 ( -7.607 -9.984 6.458) 14.116 5.391 ( -1.536 1.864 -3.557) 4.299 5.687 ( 4.863 -12.259 4.573) 13.959 5.721 ( 8.696 3.784 -6.117) 11.285 6.280 ( -1.685 2.784 1.408) 3.546 6.468 ( -0.525 8.595 2.225) 8.893 6.784 ( 0.929 5.172 9.713) 11.043 7.217 ( 11.985 2.798 -5.978) 13.682 7.705 ( 0.273 5.811 -7.339) 9.365 8.056 ( -4.153 9.683 6.480) 12.369 8.472 ( 7.812 6.363 23.313) 25.397 9.104 ( 2.440 -3.343 -19.915) 20.340 9.374 ( 1.421 -0.604 -6.592) 6.770 10.370 ( 4.173 -2.831 8.010) 9.465 10.568 ( 7.125 4.949 -11.328) 14.268 11.325 ( 19.719 12.595 8.335) 24.838 11.385 ( -4.872 0.184 1.181) 5.016 11.926 ( 8.481 10.149 -15.384) 20.288 13.939 ( -7.403 -5.381 -8.603) 12.560 14.439 ( -6.309 -6.841 10.260) 13.852 14.841 ( 0.648 0.198 2.276) 2.375 15.324 ( 3.521 -5.011 -5.137) 7.993 17.191 ( -12.999 -2.878 15.480) 20.417 19.094 ( 0.432 -6.667 0.107) 6.682 19.197 ( -14.999 -13.728 -2.745) 20.517 19.639 ( 0.969 -1.349 5.146) 5.408 20.370 ( -11.684 6.267 11.134) 17.314 22.358 ( 8.876 -4.690 -23.283) 25.355 23.649 ( -0.754 4.153 0.586) 4.262 24.027 ( 2.870 4.665 0.026) 5.477 ======================= Grid point 475 (240/260) ======================= q-point: ( 0.30 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 10.742 -0.641 -3.699) 11.379 2.812 ( 3.274 7.404 -11.798) 14.309 3.065 ( 5.722 7.665 5.502) 11.034 3.467 ( -10.017 -1.376 -5.854) 11.684 4.067 ( 0.482 -0.018 0.348) 0.595 4.124 ( 10.657 -2.695 -12.675) 16.778 4.987 ( -11.111 -10.814 5.299) 16.385 5.283 ( -9.502 -1.465 3.406) 10.200 5.784 ( 4.601 -8.033 -1.290) 9.347 5.852 ( 5.609 4.167 -6.663) 9.655 6.300 ( 3.415 4.669 1.654) 6.017 6.477 ( 0.795 9.337 1.829) 9.547 6.831 ( 1.502 4.356 11.533) 12.419 7.325 ( -0.227 4.436 -6.054) 7.508 7.772 ( 6.564 1.352 0.704) 6.739 7.998 ( -2.522 8.989 3.010) 9.810 8.677 ( 6.340 5.015 23.842) 25.175 8.951 ( -5.341 -8.164 -20.709) 22.892 9.582 ( 13.992 4.284 -6.270) 15.920 10.395 ( -2.600 2.356 0.229) 3.516 10.753 ( 12.955 2.385 -7.233) 15.028 11.295 ( -4.440 1.860 13.312) 14.156 11.723 ( 17.348 9.527 2.252) 19.920 12.049 ( 8.046 10.632 -20.858) 24.755 13.786 ( -5.858 -5.814 -6.276) 10.369 14.238 ( -14.010 -6.025 6.959) 16.764 14.941 ( 6.481 -0.083 6.091) 8.894 15.346 ( 0.031 -4.746 -6.588) 8.120 17.111 ( 1.384 0.081 15.061) 15.124 18.743 ( -23.795 -1.807 -5.180) 24.419 19.017 ( -8.678 -10.925 -2.767) 14.224 19.443 ( -16.721 7.364 -1.568) 18.338 20.610 ( 22.711 -4.570 26.971) 35.554 22.325 ( -5.293 -3.153 -28.419) 29.079 23.699 ( 4.899 0.548 3.217) 5.887 24.059 ( 0.429 2.342 -1.632) 2.887 ======================= Grid point 476 (241/260) ======================= q-point: ( 0.40 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 7.536 0.392 -9.349) 12.015 2.915 ( 8.187 2.502 -0.955) 8.614 3.145 ( -0.485 3.545 3.367) 4.913 3.226 ( -11.709 -0.079 -2.752) 12.029 4.161 ( 9.062 -0.903 0.543) 9.123 4.358 ( 13.554 -6.094 -9.675) 17.733 4.762 ( -10.819 -8.781 -2.909) 14.234 5.049 ( -15.456 -6.297 11.286) 20.148 5.860 ( 3.554 -2.343 -2.450) 4.911 5.911 ( 1.852 4.370 -4.308) 6.409 6.395 ( 5.161 6.361 -0.907) 8.242 6.493 ( -0.012 8.937 2.099) 9.180 6.909 ( 4.004 3.868 12.941) 14.087 7.226 ( -6.919 4.623 -8.617) 11.979 7.888 ( 3.812 1.787 3.345) 5.378 7.968 ( -1.313 6.602 1.127) 6.825 8.806 ( 2.314 -0.559 14.985) 15.173 8.875 ( 0.841 -6.905 -12.549) 14.348 9.833 ( 13.146 6.021 -5.642) 15.521 10.280 ( -8.658 4.231 -1.049) 9.694 10.996 ( 12.725 2.965 -8.848) 15.780 11.255 ( -4.047 3.294 16.695) 17.492 11.998 ( 9.430 8.110 6.688) 14.122 12.131 ( 4.896 9.318 -21.611) 24.038 13.708 ( -0.195 -5.557 -4.520) 7.166 13.976 ( -13.356 -4.938 6.095) 15.490 15.081 ( 5.901 -1.482 7.454) 9.622 15.298 ( -2.959 -4.001 -7.695) 9.164 17.309 ( 15.097 1.563 11.986) 19.340 18.236 ( -25.917 0.341 -6.918) 26.827 18.885 ( -2.950 -4.641 -1.011) 5.592 19.129 ( -13.809 7.069 -2.023) 15.645 21.150 ( 23.713 -6.824 30.739) 39.418 22.059 ( -14.143 -3.857 -30.597) 33.927 23.826 ( 6.487 -0.858 3.885) 7.610 24.034 ( -2.436 0.472 -2.932) 3.841 ======================= Grid point 477 (242/260) ======================= q-point: ( 0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.949 ( -7.904 -0.463 -0.074) 7.918 2.949 ( 7.904 -0.463 0.074) 7.918 3.100 ( -2.432 2.473 -3.843) 5.177 3.100 ( 2.432 2.473 3.843) 5.177 4.383 ( -2.785 -4.284 -4.808) 7.016 4.383 ( 2.785 -4.284 4.808) 7.016 4.766 ( 13.112 -8.076 -18.938) 24.409 4.766 ( -13.112 -8.076 18.938) 24.409 5.908 ( -1.069 2.105 -0.930) 2.538 5.908 ( 1.069 2.105 0.930) 2.538 6.472 ( 1.848 7.915 -4.014) 9.065 6.472 ( -1.848 7.915 4.014) 9.065 7.053 ( -7.468 3.909 -11.264) 14.068 7.053 ( 7.468 3.909 11.264) 14.068 7.942 ( -1.178 4.100 -1.488) 4.518 7.942 ( 1.178 4.100 1.488) 4.518 8.861 ( 1.562 -4.651 -17.849) 18.511 8.861 ( -1.562 -4.651 17.849) 18.511 10.073 ( -1.100 5.732 -10.129) 11.690 10.073 ( 1.100 5.732 10.129) 11.690 11.178 ( 7.283 3.863 -15.870) 17.884 11.178 ( -7.283 3.863 15.870) 17.884 12.126 ( -1.321 7.828 -15.161) 17.113 12.126 ( 1.321 7.828 15.161) 17.113 13.773 ( 7.739 -4.943 -4.926) 10.421 13.773 ( -7.739 -4.943 4.926) 10.421 15.203 ( -4.683 -2.802 -8.075) 9.746 15.203 ( 4.683 -2.802 8.075) 9.746 17.723 ( -23.641 1.649 -8.941) 25.329 17.723 ( 23.641 1.649 8.941) 25.329 18.920 ( -2.922 1.950 -5.006) 6.115 18.920 ( 2.922 1.950 5.006) 6.115 21.651 ( -19.760 -5.667 -31.422) 37.549 21.651 ( 19.760 -5.667 31.422) 37.549 23.951 ( -5.101 -0.652 -3.708) 6.340 23.951 ( 5.101 -0.652 3.708) 6.340 ======================= Grid point 483 (243/260) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( -3.457 15.224 -5.719) 16.626 2.567 ( 3.457 15.224 5.719) 16.626 3.520 ( -1.440 10.363 -12.658) 16.422 3.520 ( 1.440 10.363 12.658) 16.422 4.315 ( 1.359 -0.382 -8.454) 8.571 4.315 ( -1.359 -0.382 8.454) 8.571 5.249 ( 4.532 -2.753 -20.417) 21.094 5.249 ( -4.532 -2.753 20.417) 21.094 5.399 ( 6.679 -6.619 -10.181) 13.859 5.399 ( -6.679 -6.619 10.181) 13.859 6.473 ( -1.161 1.159 -5.966) 6.188 6.473 ( 1.161 1.159 5.966) 6.188 7.017 ( 5.469 12.141 -16.367) 21.100 7.017 ( -5.469 12.141 16.367) 21.100 8.139 ( -4.606 11.832 -15.946) 20.383 8.139 ( 4.606 11.832 15.946) 20.383 8.673 ( -3.502 7.559 -1.875) 8.539 8.673 ( 3.502 7.559 1.875) 8.539 9.797 ( -12.870 -7.834 -11.732) 19.096 9.797 ( 12.870 -7.834 11.732) 19.096 10.833 ( -10.198 8.064 -10.318) 16.598 10.833 ( 10.198 8.064 10.318) 16.598 11.856 ( -1.402 14.743 -6.764) 16.280 11.856 ( 1.402 14.743 6.764) 16.280 14.134 ( -5.770 -9.306 -13.501) 17.383 14.134 ( 5.770 -9.306 13.501) 17.383 14.968 ( -1.874 -7.221 -2.341) 7.819 14.968 ( 1.874 -7.221 2.341) 7.819 17.767 ( -6.047 -17.777 -13.605) 23.188 17.767 ( 6.047 -17.777 13.605) 23.188 19.572 ( 0.616 -1.419 -3.208) 3.562 19.572 ( -0.616 -1.419 3.208) 3.562 21.463 ( -26.019 -3.361 4.974) 26.702 21.463 ( 26.019 -3.361 -4.974) 26.702 24.022 ( -5.670 8.850 -1.434) 10.608 24.022 ( 5.670 8.850 1.434) 10.608 ======================= Grid point 485 (244/260) ======================= q-point: ( 0.10 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 0.007 13.193 -1.384) 13.266 2.747 ( 10.601 14.800 1.778) 18.292 3.422 ( -4.750 12.429 -12.680) 18.380 3.572 ( 1.149 7.072 4.019) 8.215 4.197 ( -8.145 -1.818 -3.132) 8.914 4.265 ( -6.021 0.581 -3.197) 6.842 5.105 ( -9.315 -8.318 9.108) 15.457 5.330 ( -1.451 -13.120 11.233) 17.332 5.380 ( 7.877 1.720 -12.896) 15.209 5.595 ( 12.194 0.352 -5.049) 13.202 6.384 ( -3.328 1.708 -0.126) 3.743 6.571 ( 3.807 2.970 2.099) 5.265 6.952 ( -4.272 11.169 14.167) 18.539 7.120 ( 8.616 8.708 -13.628) 18.325 7.988 ( -5.907 11.879 -9.065) 16.067 8.310 ( 5.650 12.144 8.719) 15.982 8.494 ( -3.918 7.156 6.039) 10.150 8.948 ( 14.048 5.949 -2.768) 15.505 9.492 ( -13.959 -5.722 -9.526) 17.842 10.054 ( 10.671 -7.601 10.877) 17.028 10.702 ( -0.500 8.013 -15.204) 17.193 11.132 ( 17.689 6.503 1.595) 18.914 11.673 ( -8.475 14.578 4.013) 17.334 12.049 ( 10.141 16.573 -4.557) 19.957 13.958 ( -8.292 -9.858 -10.066) 16.348 14.255 ( 1.923 -11.058 12.498) 16.798 14.857 ( -3.928 -3.475 0.322) 5.255 15.091 ( 6.017 -8.555 -2.802) 10.827 17.355 ( -18.011 -9.392 10.816) 23.013 18.271 ( 24.641 -25.684 2.893) 35.710 19.421 ( -11.206 -0.875 0.580) 11.255 19.599 ( -0.631 -1.444 -0.534) 1.664 20.929 ( -26.246 3.281 3.119) 26.633 21.942 ( 21.932 -6.951 -11.092) 25.541 23.882 ( -7.769 7.797 -1.023) 11.054 24.110 ( 2.952 7.867 0.370) 8.411 ======================= Grid point 486 (245/260) ======================= q-point: ( 0.20 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.551 ( 5.038 9.018 -1.107) 10.389 2.944 ( 7.993 12.119 -2.269) 14.694 3.292 ( -4.444 13.932 -10.607) 18.066 3.568 ( -2.725 1.262 -2.107) 3.669 4.039 ( -4.901 -2.270 -7.258) 9.047 4.133 ( -5.612 -0.066 -0.640) 5.648 4.924 ( -10.978 -12.703 8.657) 18.889 5.290 ( -6.820 -15.260 10.218) 19.590 5.540 ( 11.250 3.479 -11.916) 16.753 5.818 ( 10.855 4.666 -3.151) 12.228 6.352 ( 0.405 3.547 -0.524) 3.608 6.626 ( 1.542 6.131 3.204) 7.087 6.923 ( -1.673 7.928 12.380) 14.796 7.292 ( 10.784 4.156 -9.231) 14.792 7.869 ( -4.153 9.370 -5.254) 11.518 8.299 ( -4.214 12.826 0.762) 13.522 8.615 ( 9.061 6.120 11.260) 15.695 9.010 ( -9.590 -4.710 -10.197) 14.769 9.419 ( 11.513 5.501 0.373) 12.765 10.272 ( 9.004 -5.637 8.240) 13.444 10.719 ( 5.411 7.786 -15.388) 18.075 11.393 ( 3.493 1.272 -8.768) 9.524 11.654 ( 10.254 18.643 12.101) 24.478 12.225 ( 9.355 18.170 -9.689) 22.617 13.771 ( -8.384 -10.946 -8.017) 15.950 14.234 ( -6.876 -12.875 10.265) 17.845 14.846 ( 2.521 0.163 2.238) 3.375 15.179 ( 3.608 -8.707 -4.180) 10.310 17.129 ( -7.839 -2.431 15.351) 17.408 18.634 ( 8.951 -27.454 1.218) 28.902 19.154 ( -15.338 0.964 -0.816) 15.390 19.602 ( 1.402 -2.136 4.155) 4.878 20.520 ( -14.052 7.837 5.933) 17.149 22.232 ( 10.201 -7.039 -18.726) 22.456 23.741 ( -5.722 4.201 1.917) 7.353 24.140 ( 0.288 5.700 -0.910) 5.780 ======================= Grid point 487 (246/260) ======================= q-point: ( 0.30 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( 7.056 3.782 -2.713) 8.453 2.998 ( 0.272 10.220 -8.947) 13.586 3.257 ( 1.257 10.498 -1.241) 10.645 3.429 ( -9.910 -2.105 -6.394) 11.980 4.021 ( 3.883 -4.785 -5.079) 7.985 4.080 ( 1.537 -0.963 -2.225) 2.871 4.722 ( -11.374 -14.377 7.653) 19.865 5.106 ( -13.579 -15.557 8.415) 22.299 5.737 ( 10.558 4.772 -7.246) 13.666 5.984 ( 6.450 7.312 -3.702) 10.430 6.406 ( 5.275 4.998 -0.822) 7.313 6.660 ( 1.266 7.833 2.509) 8.322 6.941 ( 0.466 5.830 12.575) 13.869 7.425 ( 2.305 4.763 -6.682) 8.523 7.837 ( 2.615 4.329 -0.272) 5.065 8.212 ( -4.322 10.659 -2.103) 11.692 8.778 ( -6.222 -6.449 -4.403) 9.985 8.789 ( 3.130 4.544 4.469) 7.101 9.713 ( 15.372 8.374 1.642) 17.581 10.404 ( 2.196 -1.462 0.874) 2.779 10.849 ( 11.025 5.987 -8.105) 14.936 11.367 ( -1.542 5.583 1.434) 5.967 11.965 ( 14.918 13.688 4.465) 20.733 12.358 ( 6.699 18.358 -15.047) 24.664 13.610 ( -5.838 -11.256 -5.578) 13.853 14.063 ( -11.790 -10.761 7.703) 17.724 14.935 ( 4.862 -0.604 4.616) 6.732 15.210 ( 0.637 -8.127 -5.286) 9.716 17.127 ( 4.125 1.846 15.587) 16.229 18.612 ( -10.340 -12.087 -3.217) 16.228 18.861 ( -11.163 -2.891 -2.060) 11.714 19.555 ( -9.925 3.251 0.535) 10.458 20.537 ( 13.188 -1.538 20.003) 24.008 22.230 ( -5.071 -5.931 -26.492) 27.618 23.703 ( 1.249 -0.257 5.836) 5.974 24.119 ( -2.118 3.144 -2.317) 4.443 ======================= Grid point 488 (247/260) ======================= q-point: ( 0.40 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 6.753 0.244 -4.559) 8.151 3.015 ( 2.935 7.093 -2.818) 8.177 3.196 ( -9.735 -0.687 -3.475) 10.359 3.256 ( -2.896 4.762 -2.309) 6.033 4.114 ( 6.015 -4.543 2.167) 7.844 4.201 ( 10.279 -7.779 -9.585) 16.064 4.527 ( -9.092 -13.018 4.677) 16.553 4.825 ( -16.373 -14.986 8.245) 23.677 5.907 ( 7.767 6.864 -2.892) 10.761 6.050 ( 1.191 8.574 -3.044) 9.176 6.531 ( 6.929 6.014 -2.728) 9.572 6.676 ( -0.541 7.995 2.104) 8.285 7.008 ( 3.726 5.353 13.275) 14.790 7.341 ( -7.473 6.116 -8.112) 12.612 7.940 ( 5.503 2.524 3.900) 7.202 8.123 ( -3.898 7.180 -4.188) 9.181 8.696 ( 1.329 -5.698 -4.707) 7.509 8.839 ( -1.502 0.835 4.347) 4.675 9.993 ( 12.598 9.044 2.276) 15.674 10.365 ( -5.030 3.607 -3.571) 7.146 11.084 ( 12.626 4.918 -2.676) 13.811 11.351 ( -1.819 6.326 4.944) 8.232 12.209 ( 8.658 11.968 6.297) 16.058 12.403 ( 1.513 16.063 -17.321) 23.671 13.546 ( 1.051 -9.875 -4.158) 10.766 13.836 ( -12.364 -8.384 6.517) 16.298 15.037 ( 4.206 -2.677 5.736) 7.600 15.185 ( -1.662 -6.764 -6.012) 9.201 17.358 ( 15.689 3.197 12.178) 20.116 18.245 ( -23.073 0.399 -4.468) 23.505 18.802 ( 4.269 -3.435 -1.661) 5.726 19.275 ( -16.034 6.940 -2.136) 17.602 20.980 ( 22.950 -8.792 28.129) 37.353 21.944 ( -16.201 -7.037 -30.106) 34.905 23.796 ( 5.839 -1.955 6.605) 9.030 24.047 ( -4.385 0.741 -3.865) 5.891 ======================= Grid point 489 (248/260) ======================= q-point: ( 0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( -8.310 -0.494 -1.170) 8.406 2.940 ( 8.310 -0.494 1.170) 8.406 3.167 ( -3.773 4.105 -4.594) 7.224 3.167 ( 3.773 4.105 4.594) 7.224 4.253 ( -2.455 -8.177 -5.514) 10.164 4.253 ( 2.455 -8.177 5.514) 10.164 4.540 ( 4.778 -12.887 -12.028) 18.264 4.540 ( -4.778 -12.887 12.028) 18.264 6.019 ( -2.440 8.374 -2.033) 8.956 6.019 ( 2.440 8.374 2.033) 8.956 6.637 ( 2.902 7.093 -4.170) 8.725 6.637 ( -2.902 7.093 4.170) 8.725 7.155 ( -8.063 5.680 -10.889) 14.691 7.155 ( 8.063 5.680 10.889) 14.691 8.039 ( -2.516 4.415 -7.090) 8.723 8.039 ( 2.515 4.415 7.090) 8.723 8.769 ( 1.434 -3.252 -6.825) 7.695 8.769 ( -1.434 -3.252 6.825) 7.695 10.214 ( -1.789 7.401 -16.220) 17.919 10.214 ( 1.789 7.401 16.220) 17.919 11.279 ( 2.685 5.711 -18.687) 19.724 11.279 ( -2.685 5.711 18.687) 19.724 12.346 ( -3.336 12.779 -13.380) 18.800 12.346 ( 3.336 12.779 13.380) 18.800 13.636 ( 8.486 -8.054 -5.167) 12.790 13.636 ( -8.486 -8.054 5.167) 12.790 15.123 ( -2.924 -4.804 -6.495) 8.591 15.123 ( 2.924 -4.804 6.495) 8.591 17.768 ( -22.660 2.552 -7.901) 24.133 17.768 ( 22.660 2.552 7.901) 24.133 18.978 ( -10.297 3.526 -2.862) 11.254 18.978 ( 10.297 3.526 2.862) 11.254 21.495 ( -21.742 -9.063 -30.484) 38.525 21.495 ( 21.742 -9.063 30.484) 38.525 23.932 ( -6.071 -1.155 -5.488) 8.265 23.932 ( 6.071 -1.155 5.488) 8.265 ======================= Grid point 495 (249/260) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.875 ( 0.628 13.693 -6.265) 15.071 2.875 ( -0.628 13.693 6.265) 15.071 3.703 ( -3.884 6.840 -13.709) 15.805 3.703 ( 3.884 6.840 13.709) 15.805 4.322 ( 2.773 1.129 -10.619) 11.033 4.322 ( -2.773 1.129 10.619) 11.033 5.142 ( -5.608 -7.463 -2.656) 9.706 5.142 ( 5.608 -7.463 2.656) 9.706 5.336 ( -6.546 0.522 -7.967) 10.324 5.336 ( 6.545 0.522 7.967) 10.324 6.477 ( -0.697 -0.492 -4.902) 4.975 6.477 ( 0.697 -0.492 4.902) 4.975 7.259 ( 3.858 10.635 -19.532) 22.571 7.259 ( -3.858 10.635 19.532) 22.571 8.316 ( -0.816 4.613 -13.703) 14.482 8.316 ( 0.816 4.613 13.703) 14.482 8.882 ( -3.379 12.458 -8.172) 15.278 8.882 ( 3.379 12.458 8.172) 15.278 9.654 ( -12.775 -6.289 -7.135) 15.926 9.654 ( 12.775 -6.289 7.135) 15.926 10.933 ( -9.108 2.369 -5.234) 10.769 10.933 ( 9.108 2.369 5.234) 10.769 12.242 ( -8.118 21.635 -1.413) 23.152 12.242 ( 8.118 21.635 1.413) 23.152 13.871 ( -4.953 -16.059 -12.864) 21.164 13.871 ( 4.953 -16.059 12.864) 21.164 14.832 ( 0.263 -5.412 -3.668) 6.543 14.832 ( -0.263 -5.412 3.668) 6.543 17.424 ( 2.452 -14.375 -19.744) 24.545 17.424 ( -2.452 -14.375 19.744) 24.545 19.548 ( 1.696 -0.949 -3.949) 4.401 19.548 ( -1.696 -0.949 3.949) 4.401 21.413 ( -21.688 -1.616 3.097) 21.967 21.413 ( 21.688 -1.616 -3.097) 21.967 24.174 ( -5.364 5.677 -1.706) 7.994 24.174 ( 5.364 5.677 1.706) 7.994 ======================= Grid point 497 (250/260) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( -2.590 13.693 2.600) 14.176 3.031 ( 8.859 12.037 -3.110) 15.266 3.586 ( -4.211 4.077 -14.971) 16.078 3.781 ( 0.368 11.291 10.538) 15.448 4.179 ( -9.796 0.824 -0.372) 9.838 4.277 ( -6.720 0.448 -6.089) 9.079 4.907 ( -14.314 -10.607 6.125) 18.839 5.069 ( -7.861 -11.635 12.416) 18.744 5.445 ( 13.100 3.824 -16.589) 21.481 5.613 ( 15.781 1.448 -0.684) 15.862 6.410 ( -1.727 1.150 1.810) 2.753 6.592 ( 5.965 -0.754 0.812) 6.067 7.183 ( -6.856 10.529 16.715) 20.911 7.292 ( 3.398 7.286 -14.195) 16.314 8.201 ( -6.087 7.791 -7.126) 12.188 8.457 ( 8.895 2.005 1.545) 9.248 8.691 ( -6.851 11.917 0.368) 13.751 9.100 ( 4.360 6.526 -0.384) 7.858 9.422 ( -4.364 0.358 -2.650) 5.119 9.912 ( 11.810 -6.490 7.759) 15.550 10.824 ( -0.507 3.900 -9.868) 10.623 11.191 ( 15.684 0.768 -5.387) 16.601 12.085 ( -5.811 23.567 2.713) 24.424 12.439 ( 10.153 20.252 -0.442) 22.658 13.698 ( -8.891 -15.226 -9.618) 20.085 13.957 ( 0.034 -17.433 11.198) 20.720 14.800 ( 0.214 -2.182 1.134) 2.468 14.915 ( 4.802 -7.689 -1.919) 9.266 17.195 ( -9.381 -5.350 12.139) 16.248 17.762 ( 18.357 -22.375 -0.298) 28.943 19.420 ( -9.762 0.508 1.808) 9.941 19.564 ( -0.785 -1.764 -1.612) 2.515 20.998 ( -19.873 3.162 2.020) 20.224 21.817 ( 19.290 -4.947 -7.094) 21.140 24.014 ( -9.895 4.881 -1.159) 11.094 24.246 ( 1.480 5.107 0.504) 5.341 ======================= Grid point 498 (251/260) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.775 ( 0.287 11.886 1.898) 12.040 3.166 ( 5.161 8.640 -8.331) 13.065 3.480 ( -3.302 2.981 -12.540) 13.305 3.723 ( -8.838 14.894 3.498) 17.668 3.997 ( -6.285 -1.431 -5.227) 8.299 4.117 ( -6.824 -1.589 1.469) 7.159 4.646 ( -13.448 -13.777 7.007) 20.487 4.939 ( -9.375 -17.428 10.129) 22.231 5.672 ( 13.437 7.415 -13.872) 20.688 5.902 ( 13.542 3.385 -0.794) 13.981 6.418 ( 1.906 2.979 2.142) 4.135 6.699 ( 4.578 0.822 0.804) 4.721 7.088 ( -5.787 7.658 16.728) 19.286 7.373 ( 8.216 3.402 -13.335) 16.028 8.045 ( -7.729 6.889 -4.953) 11.477 8.533 ( -4.961 8.683 -3.587) 10.624 8.697 ( 8.712 2.958 0.480) 9.213 8.943 ( -12.243 -2.116 -2.166) 12.612 9.597 ( 15.090 11.149 4.836) 19.375 10.156 ( 11.302 -5.701 6.031) 14.022 10.842 ( 4.016 3.934 -8.076) 9.841 11.442 ( 10.398 3.335 -15.699) 19.123 12.079 ( 5.016 22.137 7.143) 23.796 12.626 ( 9.037 19.711 -3.745) 22.005 13.497 ( -9.092 -15.268 -7.322) 19.220 13.926 ( -5.307 -16.816 9.263) 19.919 14.841 ( 3.065 -0.825 2.444) 4.006 14.995 ( 3.633 -8.273 -2.980) 9.514 17.116 ( -2.082 1.591 16.996) 17.197 18.094 ( 14.655 -23.879 -0.314) 28.019 19.178 ( -15.220 1.154 0.706) 15.280 19.558 ( 1.163 -1.945 2.640) 3.479 20.671 ( -13.367 6.486 3.671) 15.304 22.093 ( 10.166 -5.991 -14.295) 18.536 23.809 ( -9.952 2.346 1.734) 10.370 24.240 ( -1.858 3.784 -0.752) 4.283 ======================= Grid point 499 (252/260) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 1.076 7.682 -1.240) 7.856 3.189 ( 0.808 6.814 -11.758) 13.614 3.371 ( -7.725 -1.215 -6.297) 10.040 3.510 ( -9.261 12.382 -5.177) 16.306 3.928 ( -0.213 -3.423 -3.851) 5.156 4.053 ( -0.643 -1.830 5.492) 5.825 4.425 ( -10.701 -13.677 8.251) 19.227 4.734 ( -13.101 -19.185 7.162) 24.311 5.898 ( 12.124 9.190 -9.099) 17.727 6.124 ( 8.848 5.761 -1.036) 10.609 6.493 ( 5.416 3.479 0.852) 6.494 6.772 ( 2.637 2.634 0.109) 3.729 7.056 ( -1.103 5.280 15.006) 15.946 7.507 ( 5.755 2.959 -10.169) 12.053 7.910 ( -3.515 2.137 -3.328) 5.292 8.382 ( -8.260 5.366 -5.218) 11.147 8.723 ( -6.893 1.644 9.395) 11.767 8.863 ( 4.615 2.061 -10.357) 11.525 9.913 ( 14.783 10.658 6.722) 19.425 10.354 ( 7.067 -3.153 1.259) 7.840 10.950 ( 8.463 3.365 0.769) 9.140 11.525 ( 3.080 9.190 -15.061) 17.910 12.271 ( 10.725 15.540 4.410) 19.389 12.754 ( 4.610 19.468 -8.546) 21.755 13.336 ( -4.835 -14.953 -4.302) 16.294 13.809 ( -8.245 -13.819 7.069) 17.576 14.913 ( 3.253 -1.600 3.555) 5.077 15.038 ( 1.515 -7.716 -3.733) 8.705 17.193 ( 5.955 4.389 17.038) 18.575 18.325 ( 8.937 -14.059 -1.828) 16.759 18.843 ( -17.204 0.097 -1.449) 17.265 19.581 ( -2.752 -0.223 3.024) 4.095 20.556 ( 2.027 2.847 13.190) 13.645 22.101 ( -5.523 -6.047 -24.089) 25.443 23.690 ( -2.116 -0.866 7.100) 7.459 24.175 ( -4.379 2.154 -2.449) 5.460 ======================= Grid point 500 (253/260) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 2.934 2.286 -2.907) 4.721 3.137 ( -12.162 -2.515 -5.988) 13.787 3.199 ( 2.664 7.678 -4.361) 9.223 3.376 ( -5.068 6.663 -3.935) 9.250 3.961 ( 4.417 -8.245 -4.161) 10.238 4.089 ( 2.127 -4.422 2.258) 5.401 4.272 ( -6.404 -10.827 9.444) 15.730 4.487 ( -12.531 -16.560 3.380) 21.041 6.093 ( 8.969 10.024 -4.210) 14.094 6.232 ( 2.356 8.376 -0.598) 8.721 6.621 ( 7.067 2.702 -1.647) 7.744 6.792 ( -0.956 2.878 0.736) 3.120 7.118 ( 4.115 5.163 13.167) 14.730 7.462 ( -7.207 5.322 -8.283) 12.202 7.950 ( 6.914 -2.089 -3.418) 7.991 8.218 ( -7.129 2.343 -2.595) 7.940 8.676 ( -0.318 3.200 12.847) 13.244 8.860 ( -1.981 1.161 -13.838) 14.027 10.181 ( 10.598 8.778 7.013) 15.446 10.420 ( 0.103 1.577 -3.656) 3.983 11.173 ( 11.857 3.546 9.797) 15.785 11.514 ( -1.068 9.068 -13.624) 16.401 12.461 ( 7.464 11.756 5.259) 14.885 12.738 ( -3.532 15.475 -11.422) 19.555 13.327 ( 4.681 -10.470 -3.099) 11.880 13.645 ( -9.709 -10.021 5.704) 15.074 14.976 ( 2.238 -3.159 4.074) 5.620 15.041 ( -0.110 -6.541 -4.137) 7.740 17.432 ( 15.012 3.739 12.093) 19.637 18.251 ( -18.761 0.177 -1.117) 18.795 18.744 ( 11.210 -2.244 -2.755) 11.760 19.398 ( -14.948 4.737 -1.418) 15.745 20.825 ( 18.551 -5.801 25.042) 31.700 21.790 ( -18.379 -7.410 -29.541) 35.572 23.753 ( 5.583 -2.015 8.847) 10.654 24.060 ( -6.420 0.437 -4.653) 7.941 ======================= Grid point 501 (254/260) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( -5.808 -1.260 -3.737) 7.021 2.922 ( 5.808 -1.260 3.737) 7.021 3.272 ( -2.323 6.083 -3.781) 7.530 3.272 ( 2.323 6.083 3.781) 7.530 4.060 ( 0.288 -10.312 -2.587) 10.636 4.060 ( -0.288 -10.312 2.587) 10.636 4.290 ( -5.773 -10.172 -4.945) 12.698 4.290 ( 5.773 -10.172 4.945) 12.698 6.216 ( -0.458 9.858 -2.167) 10.104 6.216 ( 0.458 9.858 2.167) 10.104 6.737 ( 1.714 2.496 -3.347) 4.513 6.737 ( -1.714 2.496 3.347) 4.513 7.272 ( -8.477 5.420 -10.008) 14.191 7.272 ( 8.477 5.420 10.008) 14.191 8.085 ( 0.894 -0.146 -12.807) 12.839 8.085 ( -0.894 -0.146 12.807) 12.839 8.755 ( -2.805 1.623 -18.560) 18.841 8.755 ( 2.805 1.623 18.560) 18.841 10.354 ( -0.761 5.838 -17.233) 18.211 10.354 ( 0.761 5.838 17.233) 18.211 11.401 ( -4.354 5.869 -19.956) 21.252 11.401 ( 4.354 5.869 19.956) 21.252 12.608 ( -6.223 11.725 -9.549) 16.352 12.608 ( 6.223 11.725 9.549) 16.352 13.466 ( 9.202 -7.834 -4.582) 12.924 13.466 ( -9.202 -7.834 4.582) 12.924 15.019 ( -0.948 -4.946 -4.734) 6.912 15.019 ( 0.948 -4.946 4.734) 6.912 17.819 ( -21.308 2.247 -6.120) 22.283 17.819 ( 21.308 2.247 6.120) 22.283 19.056 ( -17.424 3.848 -1.338) 17.894 19.056 ( 17.424 3.848 1.338) 17.894 21.307 ( -22.517 -8.550 -29.657) 38.206 21.307 ( 22.517 -8.550 29.658) 38.206 23.907 ( -7.435 -1.149 -7.205) 10.417 23.907 ( 7.435 -1.149 7.205) 10.417 ======================= Grid point 507 (255/260) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.083 ( 5.953 5.663 -9.091) 12.253 3.083 ( -5.953 5.663 9.091) 12.253 3.792 ( -6.491 2.052 -13.160) 14.817 3.792 ( 6.491 2.052 13.160) 14.817 4.350 ( 2.624 1.114 -6.890) 7.456 4.350 ( -2.624 1.114 6.890) 7.456 5.012 ( -2.102 -3.935 -3.804) 5.863 5.012 ( 2.102 -3.935 3.804) 5.863 5.363 ( -1.656 1.118 -4.487) 4.911 5.363 ( 1.656 1.118 4.487) 4.911 6.464 ( 2.332 -0.496 -4.796) 5.356 6.464 ( -2.332 -0.496 4.796) 5.356 7.421 ( 2.159 4.398 -22.134) 22.670 7.421 ( -2.159 4.398 22.134) 22.670 8.353 ( -0.581 0.159 -8.930) 8.950 8.353 ( 0.581 0.159 8.930) 8.950 9.120 ( 5.250 8.438 -15.263) 18.213 9.120 ( -5.250 8.438 15.263) 18.213 9.536 ( -9.876 -4.570 -7.607) 13.277 9.536 ( 9.876 -4.570 7.607) 13.277 10.957 ( -7.141 0.391 -0.434) 7.165 10.957 ( 7.141 0.391 0.434) 7.165 12.661 ( -5.777 15.779 -1.910) 16.912 12.661 ( 5.777 15.779 1.910) 16.912 13.531 ( -3.040 -13.868 -8.646) 16.623 13.531 ( 3.040 -13.868 8.646) 16.623 14.757 ( 1.776 -1.861 -4.388) 5.086 14.757 ( -1.776 -1.861 4.388) 5.086 17.216 ( 6.118 -5.353 -22.324) 23.758 17.216 ( -6.118 -5.353 22.324) 23.758 19.535 ( 2.241 -0.322 -4.280) 4.842 19.535 ( -2.241 -0.322 4.280) 4.842 21.393 ( -18.802 -0.421 2.166) 18.931 21.393 ( 18.802 -0.421 -2.166) 18.931 24.251 ( -5.682 1.848 -1.719) 6.217 24.251 ( 5.682 1.848 1.719) 6.217 ======================= Grid point 509 (256/260) ======================= q-point: ( 0.10 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -3.291 6.187 8.569) 11.070 3.207 ( 7.252 4.553 -10.430) 13.494 3.641 ( -5.494 1.517 -12.542) 13.776 3.934 ( 4.393 3.206 10.954) 12.229 4.235 ( -9.547 2.619 5.227) 11.195 4.290 ( -7.126 1.372 -8.624) 11.271 4.722 ( -17.431 -5.632 3.725) 18.693 4.875 ( -14.704 -6.265 7.872) 17.816 5.506 ( 15.766 1.624 -10.639) 19.089 5.645 ( 16.927 1.229 -4.217) 17.488 6.438 ( -0.295 1.364 6.495) 6.643 6.557 ( 6.137 -1.900 -2.374) 6.849 7.351 ( -8.572 5.081 19.280) 21.702 7.393 ( 0.055 2.232 -14.204) 14.378 8.294 ( -4.270 1.799 -8.743) 9.895 8.460 ( 9.017 -0.521 0.250) 9.036 8.929 ( -9.038 10.123 2.181) 13.745 9.110 ( -10.418 -4.667 -6.615) 13.194 9.537 ( 12.446 7.933 -3.775) 15.235 9.780 ( 11.495 -6.132 10.613) 16.804 10.871 ( -0.810 0.945 -3.318) 3.544 11.199 ( 16.714 0.222 -9.643) 19.298 12.559 ( -3.932 20.132 -0.502) 20.518 12.787 ( 6.414 8.832 2.011) 11.098 13.411 ( -6.505 -7.494 -6.133) 11.665 13.581 ( -0.273 -17.531 7.071) 18.906 14.759 ( 1.040 -1.686 4.379) 4.806 14.811 ( 4.116 -2.124 -3.625) 5.881 17.156 ( -2.657 1.255 20.332) 20.543 17.403 ( 13.829 -11.425 -9.330) 20.219 19.432 ( -8.959 0.487 3.169) 9.515 19.534 ( -0.883 -0.904 -2.749) 3.025 21.046 ( -16.451 1.303 1.475) 16.569 21.747 ( 17.285 -1.756 -4.957) 18.068 24.080 ( -11.041 1.576 -1.495) 11.253 24.315 ( 0.720 1.656 0.816) 1.982 ======================= Grid point 510 (257/260) ======================= q-point: ( 0.20 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( -1.623 6.485 7.582) 10.108 3.277 ( 2.505 2.317 -17.119) 17.455 3.518 ( -5.209 1.284 -10.781) 12.042 3.981 ( -2.643 1.703 0.721) 3.226 4.052 ( -10.997 11.979 0.466) 16.268 4.072 ( -9.172 -2.098 5.129) 10.716 4.415 ( -14.103 -6.840 5.589) 16.641 4.608 ( -14.068 -13.111 7.264) 20.557 5.793 ( 15.838 3.512 -12.799) 20.664 5.951 ( 14.790 1.257 -3.354) 15.217 6.474 ( 2.002 2.148 8.553) 9.043 6.678 ( 6.433 -1.777 -3.016) 7.324 7.209 ( -8.624 3.419 19.732) 21.804 7.421 ( 6.302 1.220 -15.741) 16.999 8.134 ( -9.679 1.931 -5.353) 11.228 8.621 ( 0.514 1.050 -0.082) 1.172 8.789 ( -0.373 5.077 -9.263) 10.570 8.896 ( -8.268 -2.733 1.846) 8.901 9.829 ( 15.928 10.119 -0.217) 18.872 10.031 ( 11.815 -6.648 8.888) 16.210 10.887 ( 2.763 0.794 -0.816) 2.988 11.507 ( 16.334 2.209 -19.747) 25.722 12.519 ( 0.060 18.933 1.326) 18.979 12.917 ( 6.390 0.581 1.438) 6.576 13.265 ( -6.715 2.007 -4.530) 8.345 13.561 ( -2.985 -18.258 5.413) 19.276 14.807 ( 2.460 -1.943 4.715) 5.662 14.885 ( 3.887 -2.102 -3.646) 5.728 17.188 ( 0.394 4.151 23.427) 23.795 17.707 ( 18.911 -12.116 -6.825) 23.474 19.196 ( -15.624 0.521 1.802) 15.737 19.529 ( 1.193 -0.815 1.595) 2.152 20.768 ( -12.197 2.568 2.842) 12.784 22.004 ( 9.525 -2.350 -11.683) 15.255 23.839 ( -12.275 0.683 1.423) 12.376 24.292 ( -2.931 1.228 -0.557) 3.226 ======================= Grid point 511 (258/260) ======================= q-point: ( 0.30 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( -2.921 6.506 3.414) 7.907 3.226 ( -4.101 -1.863 -19.410) 19.926 3.372 ( -5.099 0.765 -8.558) 9.991 3.753 ( -12.742 7.695 -9.706) 17.770 3.920 ( -5.490 4.352 6.140) 9.316 4.012 ( -2.282 -2.204 10.537) 11.004 4.218 ( -7.844 -4.610 8.001) 12.116 4.364 ( -11.518 -15.339 3.907) 19.576 6.058 ( 13.766 5.124 -10.640) 18.137 6.199 ( 10.974 1.441 -2.671) 11.385 6.550 ( 3.739 1.880 7.595) 8.671 6.777 ( 3.959 -1.039 -3.140) 5.159 7.144 ( -1.978 2.639 15.871) 16.210 7.542 ( 7.916 0.600 -13.515) 15.674 7.928 ( -8.828 0.189 -3.734) 9.587 8.450 ( -11.435 1.652 1.940) 11.716 8.780 ( -4.681 2.156 11.467) 12.572 8.883 ( 5.820 0.253 -20.632) 21.439 10.122 ( 12.511 9.030 6.582) 16.775 10.270 ( 10.552 -5.401 1.912) 12.007 10.990 ( 7.741 0.819 7.133) 10.558 11.691 ( 6.949 5.267 -23.793) 25.340 12.563 ( 3.544 11.436 1.756) 12.100 13.030 ( 2.999 -11.078 -0.430) 11.485 13.148 ( -2.369 17.137 -3.033) 17.564 13.501 ( -3.867 -16.194 3.263) 16.967 14.866 ( 2.249 -2.316 4.534) 5.566 14.937 ( 2.169 -1.873 -3.648) 4.639 17.283 ( 4.812 3.281 19.538) 20.387 18.095 ( 20.739 -6.863 -2.990) 22.049 18.848 ( -18.823 0.176 -0.630) 18.834 19.569 ( 0.206 -0.517 3.887) 3.926 20.615 ( -3.231 1.941 9.972) 10.661 22.006 ( -6.348 -2.631 -22.516) 23.541 23.675 ( -3.994 -0.458 7.627) 8.622 24.204 ( -5.556 0.696 -2.555) 6.154 ======================= Grid point 512 (259/260) ======================= q-point: ( 0.40 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( -2.581 4.469 -0.774) 5.219 3.040 ( -8.933 -5.302 -9.417) 14.021 3.337 ( 2.382 3.840 -8.636) 9.746 3.528 ( -8.543 6.811 -2.193) 11.143 3.845 ( -1.772 -1.676 -1.180) 2.710 3.965 ( -6.270 -7.824 10.513) 14.528 4.136 ( -1.769 -1.613 6.402) 6.834 4.210 ( -4.634 -8.848 -0.033) 9.988 6.270 ( 9.381 6.008 -5.924) 12.617 6.355 ( 5.033 2.765 -1.452) 5.923 6.651 ( 4.888 0.537 4.245) 6.496 6.804 ( -0.676 -0.678 -1.714) 1.963 7.203 ( 4.444 2.555 12.030) 13.077 7.543 ( -6.531 2.237 -8.614) 11.039 7.889 ( 7.314 -2.382 -8.129) 11.191 8.246 ( -10.394 0.602 6.240) 12.138 8.750 ( -1.553 2.472 17.191) 17.437 8.880 ( -0.277 0.584 -24.650) 24.658 10.334 ( 7.029 5.620 10.271) 13.656 10.422 ( 4.941 -1.484 -5.241) 7.354 11.224 ( 12.536 1.328 15.186) 19.736 11.674 ( -2.729 5.015 -22.513) 23.226 12.652 ( 5.072 5.868 2.969) 8.305 12.948 ( -7.360 1.965 -4.111) 8.656 13.226 ( 6.765 4.690 -1.298) 8.333 13.430 ( -4.003 -10.842 1.888) 11.711 14.912 ( 1.410 -2.471 3.997) 4.906 14.953 ( 0.365 -1.847 -3.528) 3.998 17.493 ( 13.377 1.767 11.750) 17.892 18.252 ( -14.744 -0.001 1.580) 14.828 18.712 ( 15.703 -0.809 -3.679) 16.149 19.462 ( -12.375 1.480 -0.292) 12.467 20.751 ( 13.254 -1.563 22.738) 26.366 21.671 ( -19.853 -3.356 -29.311) 35.560 23.722 ( 5.562 -0.840 10.147) 11.602 24.065 ( -7.588 0.104 -5.226) 9.214 ======================= Grid point 513 (260/260) ======================= q-point: ( 0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 3.67e-09 3.67e-09 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.897 ( -1.721 -0.875 -5.187) 5.535 2.897 ( 1.721 -0.875 5.187) 5.535 3.399 ( 3.903 5.038 -4.826) 7.994 3.399 ( -3.903 5.038 4.826) 7.994 3.864 ( 3.778 -7.070 -7.172) 10.757 3.864 ( -3.778 -7.070 7.172) 10.757 4.152 ( -1.357 -3.294 -3.548) 5.028 4.152 ( 1.357 -3.294 3.548) 5.028 6.381 ( 2.204 5.022 -1.356) 5.649 6.381 ( -2.204 5.022 1.356) 5.649 6.750 ( -2.685 -0.515 -3.014) 4.069 6.750 ( 2.685 -0.515 3.014) 4.069 7.358 ( -8.462 2.441 -8.752) 12.416 7.358 ( 8.462 2.441 8.752) 12.416 8.061 ( 8.002 -1.215 -10.534) 13.284 8.061 ( -8.002 -1.215 10.534) 13.284 8.798 ( -1.219 1.587 -23.647) 23.731 8.798 ( 1.219 1.587 23.647) 23.731 10.439 ( 0.506 2.215 -16.359) 16.516 10.439 ( -0.506 2.215 16.359) 16.516 11.497 ( -9.646 2.773 -20.236) 22.589 11.497 ( 9.646 2.773 20.236) 22.589 12.785 ( -7.512 4.723 -4.498) 9.948 12.785 ( 7.512 4.723 4.498) 9.948 13.344 ( -0.132 -3.359 -2.111) 3.969 13.344 ( 0.132 -3.359 2.111) 3.969 14.940 ( -0.648 -2.219 -3.596) 4.275 14.940 ( 0.648 -2.219 3.596) 4.275 17.853 ( -20.558 0.882 -4.429) 21.048 17.853 ( 20.558 0.882 4.429) 21.048 19.118 ( -21.018 1.785 -0.692) 21.105 19.118 ( 21.018 1.785 0.692) 21.105 21.176 ( -21.917 -3.595 -29.327) 36.788 21.176 ( 21.917 -3.595 29.327) 36.788 23.890 ( -8.395 -0.484 -8.228) 11.765 23.890 ( 8.395 -0.484 8.228) 11.765 =================== 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 3/32400 10.0 5007.913 7021.192 5768.996 0.000 1132.702 0.000 3/32400 20.0 1225.425 929.183 1174.575 0.000 216.701 0.000 3/32400 30.0 397.568 266.408 383.445 0.000 60.797 0.000 3/32400 40.0 178.105 116.240 176.995 0.000 26.043 0.000 3/32400 50.0 100.134 64.979 101.649 0.000 14.228 0.000 3/32400 60.0 65.238 42.410 67.196 0.000 8.913 0.000 3/32400 70.0 46.857 30.595 48.776 0.000 6.118 0.000 3/32400 80.0 35.986 23.615 37.769 0.000 4.492 0.000 3/32400 90.0 28.989 19.115 30.629 0.000 3.473 0.000 3/32400 100.0 24.189 16.018 25.699 0.000 2.795 0.000 3/32400 110.0 20.730 13.779 22.125 0.000 2.323 0.000 3/32400 120.0 18.139 12.093 19.430 0.000 1.979 0.000 3/32400 130.0 16.136 10.783 17.333 0.000 1.721 0.000 3/32400 140.0 14.547 9.738 15.658 0.000 1.521 0.000 3/32400 150.0 13.259 8.885 14.290 0.000 1.363 0.000 3/32400 160.0 12.195 8.176 13.153 0.000 1.235 0.000 3/32400 170.0 11.302 7.578 12.193 0.000 1.130 0.000 3/32400 180.0 10.542 7.066 11.371 0.000 1.042 0.000 3/32400 190.0 9.888 6.622 10.660 0.000 0.968 0.000 3/32400 200.0 9.319 6.234 10.038 0.000 0.905 0.000 3/32400 210.0 8.818 5.892 9.489 0.000 0.850 0.000 3/32400 220.0 8.374 5.587 9.001 0.000 0.802 0.000 3/32400 230.0 7.978 5.314 8.563 0.000 0.760 0.000 3/32400 240.0 7.621 5.068 8.169 0.000 0.723 0.000 3/32400 250.0 7.298 4.844 7.812 0.000 0.689 0.000 3/32400 260.0 7.004 4.641 7.486 0.000 0.660 0.000 3/32400 270.0 6.735 4.455 7.188 0.000 0.633 0.000 3/32400 280.0 6.488 4.283 6.914 0.000 0.608 0.000 3/32400 290.0 6.260 4.125 6.662 0.000 0.586 0.000 3/32400 300.0 6.049 3.979 6.428 0.000 0.565 0.000 3/32400 310.0 5.852 3.843 6.210 0.000 0.546 0.000 3/32400 320.0 5.669 3.717 6.008 0.000 0.528 0.000 3/32400 330.0 5.498 3.599 5.819 0.000 0.512 0.000 3/32400 340.0 5.337 3.488 5.642 0.000 0.497 0.000 3/32400 350.0 5.186 3.384 5.475 0.000 0.483 0.000 3/32400 360.0 5.044 3.287 5.319 0.000 0.469 0.000 3/32400 370.0 4.909 3.195 5.172 0.000 0.457 0.000 3/32400 380.0 4.782 3.108 5.032 0.000 0.445 0.000 3/32400 390.0 4.662 3.026 4.901 0.000 0.434 0.000 3/32400 400.0 4.548 2.948 4.776 0.000 0.423 0.000 3/32400 410.0 4.439 2.874 4.657 0.000 0.413 0.000 3/32400 420.0 4.335 2.804 4.545 0.000 0.404 0.000 3/32400 430.0 4.237 2.737 4.438 0.000 0.395 0.000 3/32400 440.0 4.143 2.674 4.336 0.000 0.386 0.000 3/32400 450.0 4.053 2.613 4.238 0.000 0.378 0.000 3/32400 460.0 3.967 2.555 4.145 0.000 0.370 0.000 3/32400 470.0 3.884 2.500 4.056 0.000 0.362 0.000 3/32400 480.0 3.805 2.447 3.971 0.000 0.355 0.000 3/32400 490.0 3.729 2.396 3.889 0.000 0.348 0.000 3/32400 500.0 3.657 2.347 3.811 0.000 0.341 0.000 3/32400 510.0 3.587 2.301 3.736 0.000 0.335 0.000 3/32400 520.0 3.519 2.256 3.664 0.000 0.329 0.000 3/32400 530.0 3.454 2.213 3.594 0.000 0.323 0.000 3/32400 540.0 3.392 2.171 3.528 0.000 0.317 0.000 3/32400 550.0 3.332 2.131 3.463 0.000 0.312 0.000 3/32400 560.0 3.274 2.093 3.401 0.000 0.306 0.000 3/32400 570.0 3.217 2.056 3.341 0.000 0.301 0.000 3/32400 580.0 3.163 2.020 3.283 0.000 0.296 0.000 3/32400 590.0 3.111 1.985 3.228 0.000 0.291 0.000 3/32400 600.0 3.060 1.952 3.174 0.000 0.287 0.000 3/32400 610.0 3.011 1.920 3.122 0.000 0.282 0.000 3/32400 620.0 2.963 1.889 3.071 0.000 0.278 0.000 3/32400 630.0 2.917 1.858 3.022 0.000 0.274 0.000 3/32400 640.0 2.873 1.829 2.975 0.000 0.270 0.000 3/32400 650.0 2.829 1.801 2.929 0.000 0.266 0.000 3/32400 660.0 2.787 1.773 2.885 0.000 0.262 0.000 3/32400 670.0 2.746 1.747 2.842 0.000 0.258 0.000 3/32400 680.0 2.707 1.721 2.800 0.000 0.254 0.000 3/32400 690.0 2.668 1.696 2.760 0.000 0.251 0.000 3/32400 700.0 2.631 1.671 2.720 0.000 0.247 0.000 3/32400 710.0 2.595 1.648 2.682 0.000 0.244 0.000 3/32400 720.0 2.559 1.625 2.645 0.000 0.241 0.000 3/32400 730.0 2.525 1.602 2.608 0.000 0.237 0.000 3/32400 740.0 2.491 1.581 2.573 0.000 0.234 0.000 3/32400 750.0 2.459 1.559 2.539 0.000 0.231 0.000 3/32400 760.0 2.427 1.539 2.505 0.000 0.228 0.000 3/32400 770.0 2.396 1.519 2.473 0.000 0.226 0.000 3/32400 780.0 2.366 1.499 2.441 0.000 0.223 0.000 3/32400 790.0 2.336 1.480 2.410 0.000 0.220 0.000 3/32400 800.0 2.307 1.462 2.380 0.000 0.217 0.000 3/32400 810.0 2.279 1.443 2.351 0.000 0.215 0.000 3/32400 820.0 2.252 1.426 2.322 0.000 0.212 0.000 3/32400 830.0 2.225 1.409 2.294 0.000 0.210 0.000 3/32400 840.0 2.199 1.392 2.267 0.000 0.207 0.000 3/32400 850.0 2.174 1.375 2.240 0.000 0.205 0.000 3/32400 860.0 2.149 1.359 2.214 0.000 0.203 0.000 3/32400 870.0 2.124 1.344 2.189 0.000 0.200 0.000 3/32400 880.0 2.100 1.328 2.164 0.000 0.198 0.000 3/32400 890.0 2.077 1.313 2.140 0.000 0.196 0.000 3/32400 900.0 2.054 1.299 2.116 0.000 0.194 0.000 3/32400 910.0 2.032 1.284 2.093 0.000 0.192 0.000 3/32400 920.0 2.010 1.270 2.070 0.000 0.190 0.000 3/32400 930.0 1.989 1.257 2.048 0.000 0.188 0.000 3/32400 940.0 1.968 1.243 2.026 0.000 0.186 0.000 3/32400 950.0 1.948 1.230 2.005 0.000 0.184 0.000 3/32400 960.0 1.928 1.217 1.984 0.000 0.182 0.000 3/32400 970.0 1.908 1.205 1.963 0.000 0.180 0.000 3/32400 980.0 1.889 1.192 1.943 0.000 0.178 0.000 3/32400 990.0 1.870 1.180 1.924 0.000 0.177 0.000 3/32400 1000.0 1.851 1.169 1.905 0.000 0.175 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m10910.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:47:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|