----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:33:04]------------------------- 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 5.072321420367758 0.000000000000000 0.000000000000000 b 0.000000000000000 5.372808920000001 0.000000000000000 c -0.601731674586987 0.000000000000000 5.218101386325031 Atomic positions (fractional): *1 O 0.73571543772799 0.44016315484746 0.00967990769886 15.999 2 O 0.26428456227201 0.44016315484746 0.49032009230114 15.999 3 O 0.26428456227201 0.55983684515254 0.99032009230114 15.999 4 O 0.73571543772799 0.55983684515254 0.50967990769886 15.999 *5 O 0.24839262845072 0.92332192705777 0.59591067885645 15.999 6 O 0.75160737154928 0.92332192705777 0.90408932114355 15.999 7 O 0.75160737154928 0.07667807294223 0.40408932114355 15.999 8 O 0.24839262845072 0.07667807294223 0.09591067885646 15.999 *9 Er 0.00000000000000 0.23480447664991 0.75000000000000 167.259 10 Er 0.00000000000000 0.76519552335009 0.25000000000000 167.259 *11 Ta 0.50000000000000 0.30250432278342 0.25000000000000 180.948 12 Ta 0.50000000000000 0.69749567721658 0.75000000000000 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.072321420367758 0.000000000000000 0.000000000000000 b 0.000000000000000 5.372808920000001 0.000000000000000 c -0.601731674586987 0.000000000000000 5.218101386325031 Atomic positions (fractional): *1 O 0.73571543772799 0.44016315484746 0.00967990769886 15.999 > 1 2 O 0.26428456227201 0.44016315484746 0.49032009230114 15.999 > 2 3 O 0.26428456227201 0.55983684515254 0.99032009230114 15.999 > 3 4 O 0.73571543772799 0.55983684515254 0.50967990769886 15.999 > 4 *5 O 0.24839262845072 0.92332192705777 0.59591067885645 15.999 > 5 6 O 0.75160737154928 0.92332192705777 0.90408932114355 15.999 > 6 7 O 0.75160737154928 0.07667807294223 0.40408932114355 15.999 > 7 8 O 0.24839262845072 0.07667807294223 0.09591067885646 15.999 > 8 *9 Er 0.00000000000000 0.23480447664991 0.75000000000000 167.259 > 9 10 Er 0.00000000000000 0.76519552335009 0.25000000000000 167.259 > 10 *11 Ta 0.50000000000000 0.30250432278342 0.25000000000000 180.948 > 11 12 Ta 0.50000000000000 0.69749567721658 0.75000000000000 180.948 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.216964261103275 0.000000000000000 0.000000000000000 b 0.000000000000000 10.745617840000001 0.000000000000000 c -1.203463349173974 0.000000000000000 10.436202772650063 Atomic positions (fractional): *1 O 0.24523847924266 0.22008157742373 0.00483995384943 15.999 > 1 2 O 0.57857181257600 0.22008157742373 0.00483995384943 15.999 > 1 3 O 0.91190514590933 0.22008157742373 0.00483995384943 15.999 > 1 4 O 0.24523847924266 0.72008157742373 0.00483995384943 15.999 > 1 5 O 0.57857181257600 0.72008157742373 0.00483995384943 15.999 > 1 6 O 0.91190514590933 0.72008157742373 0.00483995384943 15.999 > 1 7 O 0.24523847924266 0.22008157742373 0.50483995384943 15.999 > 1 8 O 0.57857181257600 0.22008157742373 0.50483995384943 15.999 > 1 9 O 0.91190514590933 0.22008157742373 0.50483995384943 15.999 > 1 10 O 0.24523847924266 0.72008157742373 0.50483995384943 15.999 > 1 11 O 0.57857181257600 0.72008157742373 0.50483995384943 15.999 > 1 12 O 0.91190514590933 0.72008157742373 0.50483995384943 15.999 > 1 13 O 0.08809485409067 0.22008157742373 0.24516004615057 15.999 > 2 14 O 0.42142818742400 0.22008157742373 0.24516004615057 15.999 > 2 15 O 0.75476152075734 0.22008157742373 0.24516004615057 15.999 > 2 16 O 0.08809485409067 0.72008157742373 0.24516004615057 15.999 > 2 17 O 0.42142818742400 0.72008157742373 0.24516004615057 15.999 > 2 18 O 0.75476152075734 0.72008157742373 0.24516004615057 15.999 > 2 19 O 0.08809485409067 0.22008157742373 0.74516004615057 15.999 > 2 20 O 0.42142818742400 0.22008157742373 0.74516004615057 15.999 > 2 21 O 0.75476152075734 0.22008157742373 0.74516004615057 15.999 > 2 22 O 0.08809485409067 0.72008157742373 0.74516004615057 15.999 > 2 23 O 0.42142818742400 0.72008157742373 0.74516004615057 15.999 > 2 24 O 0.75476152075734 0.72008157742373 0.74516004615057 15.999 > 2 25 O 0.08809485409067 0.27991842257627 0.49516004615057 15.999 > 3 26 O 0.42142818742400 0.27991842257627 0.49516004615057 15.999 > 3 27 O 0.75476152075734 0.27991842257627 0.49516004615057 15.999 > 3 28 O 0.08809485409067 0.77991842257627 0.49516004615057 15.999 > 3 29 O 0.42142818742400 0.77991842257627 0.49516004615057 15.999 > 3 30 O 0.75476152075734 0.77991842257627 0.49516004615057 15.999 > 3 31 O 0.08809485409067 0.27991842257627 0.99516004615057 15.999 > 3 32 O 0.42142818742400 0.27991842257627 0.99516004615057 15.999 > 3 33 O 0.75476152075734 0.27991842257627 0.99516004615057 15.999 > 3 34 O 0.08809485409067 0.77991842257627 0.99516004615057 15.999 > 3 35 O 0.42142818742400 0.77991842257627 0.99516004615057 15.999 > 3 36 O 0.75476152075734 0.77991842257627 0.99516004615057 15.999 > 3 37 O 0.24523847924266 0.27991842257627 0.25483995384943 15.999 > 4 38 O 0.57857181257600 0.27991842257627 0.25483995384943 15.999 > 4 39 O 0.91190514590933 0.27991842257627 0.25483995384943 15.999 > 4 40 O 0.24523847924266 0.77991842257627 0.25483995384943 15.999 > 4 41 O 0.57857181257600 0.77991842257627 0.25483995384943 15.999 > 4 42 O 0.91190514590933 0.77991842257627 0.25483995384943 15.999 > 4 43 O 0.24523847924266 0.27991842257627 0.75483995384943 15.999 > 4 44 O 0.57857181257600 0.27991842257627 0.75483995384943 15.999 > 4 45 O 0.91190514590933 0.27991842257627 0.75483995384943 15.999 > 4 46 O 0.24523847924266 0.77991842257627 0.75483995384943 15.999 > 4 47 O 0.57857181257600 0.77991842257627 0.75483995384943 15.999 > 4 48 O 0.91190514590933 0.77991842257627 0.75483995384943 15.999 > 4 *49 O 0.08279754281691 0.46166096352889 0.29795533942823 15.999 > 5 50 O 0.41613087615024 0.46166096352889 0.29795533942823 15.999 > 5 51 O 0.74946420948357 0.46166096352889 0.29795533942823 15.999 > 5 52 O 0.08279754281691 0.96166096352889 0.29795533942823 15.999 > 5 53 O 0.41613087615024 0.96166096352889 0.29795533942823 15.999 > 5 54 O 0.74946420948357 0.96166096352889 0.29795533942823 15.999 > 5 55 O 0.08279754281691 0.46166096352889 0.79795533942823 15.999 > 5 56 O 0.41613087615024 0.46166096352889 0.79795533942823 15.999 > 5 57 O 0.74946420948357 0.46166096352889 0.79795533942823 15.999 > 5 58 O 0.08279754281691 0.96166096352889 0.79795533942823 15.999 > 5 59 O 0.41613087615024 0.96166096352889 0.79795533942823 15.999 > 5 60 O 0.74946420948357 0.96166096352889 0.79795533942823 15.999 > 5 61 O 0.25053579051643 0.46166096352889 0.45204466057177 15.999 > 6 62 O 0.58386912384976 0.46166096352889 0.45204466057177 15.999 > 6 63 O 0.91720245718309 0.46166096352889 0.45204466057177 15.999 > 6 64 O 0.25053579051643 0.96166096352889 0.45204466057177 15.999 > 6 65 O 0.58386912384976 0.96166096352889 0.45204466057177 15.999 > 6 66 O 0.91720245718309 0.96166096352889 0.45204466057177 15.999 > 6 67 O 0.25053579051643 0.46166096352889 0.95204466057177 15.999 > 6 68 O 0.58386912384976 0.46166096352889 0.95204466057177 15.999 > 6 69 O 0.91720245718309 0.46166096352889 0.95204466057177 15.999 > 6 70 O 0.25053579051643 0.96166096352889 0.95204466057177 15.999 > 6 71 O 0.58386912384976 0.96166096352889 0.95204466057177 15.999 > 6 72 O 0.91720245718309 0.96166096352889 0.95204466057177 15.999 > 6 73 O 0.25053579051643 0.03833903647111 0.20204466057177 15.999 > 7 74 O 0.58386912384976 0.03833903647111 0.20204466057177 15.999 > 7 75 O 0.91720245718309 0.03833903647111 0.20204466057177 15.999 > 7 76 O 0.25053579051643 0.53833903647111 0.20204466057177 15.999 > 7 77 O 0.58386912384976 0.53833903647111 0.20204466057177 15.999 > 7 78 O 0.91720245718309 0.53833903647111 0.20204466057177 15.999 > 7 79 O 0.25053579051643 0.03833903647111 0.70204466057177 15.999 > 7 80 O 0.58386912384976 0.03833903647111 0.70204466057177 15.999 > 7 81 O 0.91720245718309 0.03833903647111 0.70204466057177 15.999 > 7 82 O 0.25053579051643 0.53833903647111 0.70204466057177 15.999 > 7 83 O 0.58386912384976 0.53833903647111 0.70204466057177 15.999 > 7 84 O 0.91720245718309 0.53833903647111 0.70204466057177 15.999 > 7 85 O 0.08279754281691 0.03833903647111 0.04795533942823 15.999 > 8 86 O 0.41613087615024 0.03833903647111 0.04795533942823 15.999 > 8 87 O 0.74946420948357 0.03833903647111 0.04795533942823 15.999 > 8 88 O 0.08279754281691 0.53833903647111 0.04795533942823 15.999 > 8 89 O 0.41613087615024 0.53833903647111 0.04795533942823 15.999 > 8 90 O 0.74946420948357 0.53833903647111 0.04795533942823 15.999 > 8 91 O 0.08279754281691 0.03833903647111 0.54795533942823 15.999 > 8 92 O 0.41613087615024 0.03833903647111 0.54795533942823 15.999 > 8 93 O 0.74946420948357 0.03833903647111 0.54795533942823 15.999 > 8 94 O 0.08279754281691 0.53833903647111 0.54795533942823 15.999 > 8 95 O 0.41613087615024 0.53833903647111 0.54795533942823 15.999 > 8 96 O 0.74946420948357 0.53833903647111 0.54795533942823 15.999 > 8 *97 Er 0.00000000000000 0.11740223832495 0.37500000000000 167.259 > 9 98 Er 0.33333333333333 0.11740223832495 0.37500000000000 167.259 > 9 99 Er 0.66666666666667 0.11740223832495 0.37500000000000 167.259 > 9 100 Er 0.00000000000000 0.61740223832495 0.37500000000000 167.259 > 9 101 Er 0.33333333333333 0.61740223832495 0.37500000000000 167.259 > 9 102 Er 0.66666666666667 0.61740223832495 0.37500000000000 167.259 > 9 103 Er 0.00000000000000 0.11740223832495 0.87500000000000 167.259 > 9 104 Er 0.33333333333333 0.11740223832495 0.87500000000000 167.259 > 9 105 Er 0.66666666666667 0.11740223832495 0.87500000000000 167.259 > 9 106 Er 0.00000000000000 0.61740223832495 0.87500000000000 167.259 > 9 107 Er 0.33333333333333 0.61740223832495 0.87500000000000 167.259 > 9 108 Er 0.66666666666667 0.61740223832495 0.87500000000000 167.259 > 9 109 Er 0.00000000000000 0.38259776167505 0.12500000000000 167.259 > 10 110 Er 0.33333333333333 0.38259776167505 0.12500000000000 167.259 > 10 111 Er 0.66666666666667 0.38259776167505 0.12500000000000 167.259 > 10 112 Er 0.00000000000000 0.88259776167505 0.12500000000000 167.259 > 10 113 Er 0.33333333333333 0.88259776167505 0.12500000000000 167.259 > 10 114 Er 0.66666666666667 0.88259776167505 0.12500000000000 167.259 > 10 115 Er 0.00000000000000 0.38259776167505 0.62500000000000 167.259 > 10 116 Er 0.33333333333333 0.38259776167505 0.62500000000000 167.259 > 10 117 Er 0.66666666666667 0.38259776167505 0.62500000000000 167.259 > 10 118 Er 0.00000000000000 0.88259776167505 0.62500000000000 167.259 > 10 119 Er 0.33333333333333 0.88259776167505 0.62500000000000 167.259 > 10 120 Er 0.66666666666667 0.88259776167505 0.62500000000000 167.259 > 10 *121 Ta 0.16666666666667 0.15125216139171 0.12500000000000 180.948 > 11 122 Ta 0.50000000000000 0.15125216139171 0.12500000000000 180.948 > 11 123 Ta 0.83333333333333 0.15125216139171 0.12500000000000 180.948 > 11 124 Ta 0.16666666666667 0.65125216139171 0.12500000000000 180.948 > 11 125 Ta 0.50000000000000 0.65125216139171 0.12500000000000 180.948 > 11 126 Ta 0.83333333333333 0.65125216139171 0.12500000000000 180.948 > 11 127 Ta 0.16666666666667 0.15125216139171 0.62500000000000 180.948 > 11 128 Ta 0.50000000000000 0.15125216139171 0.62500000000000 180.948 > 11 129 Ta 0.83333333333333 0.15125216139171 0.62500000000000 180.948 > 11 130 Ta 0.16666666666667 0.65125216139171 0.62500000000000 180.948 > 11 131 Ta 0.50000000000000 0.65125216139171 0.62500000000000 180.948 > 11 132 Ta 0.83333333333333 0.65125216139171 0.62500000000000 180.948 > 11 133 Ta 0.16666666666667 0.34874783860829 0.37500000000000 180.948 > 12 134 Ta 0.50000000000000 0.34874783860829 0.37500000000000 180.948 > 12 135 Ta 0.83333333333333 0.34874783860829 0.37500000000000 180.948 > 12 136 Ta 0.16666666666667 0.84874783860829 0.37500000000000 180.948 > 12 137 Ta 0.50000000000000 0.84874783860829 0.37500000000000 180.948 > 12 138 Ta 0.83333333333333 0.84874783860829 0.37500000000000 180.948 > 12 139 Ta 0.16666666666667 0.34874783860829 0.87500000000000 180.948 > 12 140 Ta 0.50000000000000 0.34874783860829 0.87500000000000 180.948 > 12 141 Ta 0.83333333333333 0.34874783860829 0.87500000000000 180.948 > 12 142 Ta 0.16666666666667 0.84874783860829 0.87500000000000 180.948 > 12 143 Ta 0.50000000000000 0.84874783860829 0.87500000000000 180.948 > 12 144 Ta 0.83333333333333 0.84874783860829 0.87500000000000 180.948 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8789690 0.0000000 0.1915343 0.0000000 4.6792448 0.0000000 0.1915337 0.0000000 4.6775490 -------------------------- Born effective charges -------------------------- 1 O -2.5218309 -0.1154806 0.5331829 -0.0241750 -2.1331212 0.5230135 0.5573462 0.4990519 -2.5593946 2 O -2.5218309 0.1154806 0.5331829 0.0241750 -2.1331212 -0.5230135 0.5573462 -0.4990519 -2.5593946 3 O -2.5218309 -0.1154806 0.5331829 -0.0241750 -2.1331212 0.5230135 0.5573462 0.4990519 -2.5593946 4 O -2.5218309 0.1154806 0.5331829 0.0241750 -2.1331212 -0.5230135 0.5573462 -0.4990519 -2.5593946 5 O -2.5703699 1.0404605 -0.8066413 1.1305570 -2.6109044 0.3004176 -0.8877748 0.2812421 -2.1620788 6 O -2.5703699 -1.0404605 -0.8066413 -1.1305570 -2.6109044 -0.3004176 -0.8877748 -0.2812421 -2.1620788 7 O -2.5703699 1.0404605 -0.8066413 1.1305570 -2.6109044 0.3004176 -0.8877748 0.2812421 -2.1620788 8 O -2.5703699 -1.0404605 -0.8066413 -1.1305570 -2.6109044 -0.3004176 -0.8877748 -0.2812421 -2.1620788 9 Er 4.6957887 0.0000000 0.1541295 0.0000000 3.8680713 0.0000000 0.1857043 0.0000000 4.0535569 10 Er 4.6957887 0.0000000 0.1541295 0.0000000 3.8680713 0.0000000 0.1857043 0.0000000 4.0535569 11 Ta 5.4886130 0.0000000 0.3927873 0.0000000 5.6199798 0.0000000 0.4751530 0.0000000 5.3893898 12 Ta 5.4886130 0.0000000 0.3927873 0.0000000 5.6199798 0.0000000 0.4751530 0.0000000 5.3893898 ---------------------------------------------------------------------------- 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): 0.005 Solver_block: 100 / 400 - Time: 0.905 Solver_block: 200 / 400 - Time: 0.916 Solver_block: 300 / 400 - Time: 0.924 Solver_block: 400 / 400 - Time: 0.914 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.747 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:33:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:33:30]------------------------- 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 5.072321420367758 0.000000000000000 0.000000000000000 b 0.000000000000000 5.372808920000001 0.000000000000000 c -0.601731674586987 0.000000000000000 5.218101386325031 Atomic positions (fractional): 1 O 0.73571543772799 0.44016315484746 0.00967990769886 15.999 2 O 0.26428456227201 0.44016315484746 0.49032009230114 15.999 3 O 0.26428456227201 0.55983684515254 0.99032009230114 15.999 4 O 0.73571543772799 0.55983684515254 0.50967990769886 15.999 5 O 0.24839262845072 0.92332192705777 0.59591067885645 15.999 6 O 0.75160737154928 0.92332192705777 0.90408932114355 15.999 7 O 0.75160737154928 0.07667807294223 0.40408932114355 15.999 8 O 0.24839262845072 0.07667807294223 0.09591067885646 15.999 9 Er 0.00000000000000 0.23480447664991 0.75000000000000 167.259 10 Er 0.00000000000000 0.76519552335009 0.25000000000000 167.259 11 Ta 0.50000000000000 0.30250432278342 0.25000000000000 180.948 12 Ta 0.50000000000000 0.69749567721658 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.216964261103275 0.000000000000000 0.000000000000000 b 0.000000000000000 10.745617840000001 0.000000000000000 c -1.203463349173974 0.000000000000000 10.436202772650063 Atomic positions (fractional): 1 O 0.24523847924266 0.22008157742373 0.00483995384943 15.999 > 1 2 O 0.57857181257600 0.22008157742373 0.00483995384943 15.999 > 1 3 O 0.91190514590933 0.22008157742373 0.00483995384943 15.999 > 1 4 O 0.24523847924266 0.72008157742373 0.00483995384943 15.999 > 1 5 O 0.57857181257600 0.72008157742373 0.00483995384943 15.999 > 1 6 O 0.91190514590933 0.72008157742373 0.00483995384943 15.999 > 1 7 O 0.24523847924266 0.22008157742373 0.50483995384943 15.999 > 1 8 O 0.57857181257600 0.22008157742373 0.50483995384943 15.999 > 1 9 O 0.91190514590933 0.22008157742373 0.50483995384943 15.999 > 1 10 O 0.24523847924266 0.72008157742373 0.50483995384943 15.999 > 1 11 O 0.57857181257600 0.72008157742373 0.50483995384943 15.999 > 1 12 O 0.91190514590933 0.72008157742373 0.50483995384943 15.999 > 1 13 O 0.08809485409067 0.22008157742373 0.24516004615057 15.999 > 13 14 O 0.42142818742400 0.22008157742373 0.24516004615057 15.999 > 13 15 O 0.75476152075734 0.22008157742373 0.24516004615057 15.999 > 13 16 O 0.08809485409067 0.72008157742373 0.24516004615057 15.999 > 13 17 O 0.42142818742400 0.72008157742373 0.24516004615057 15.999 > 13 18 O 0.75476152075734 0.72008157742373 0.24516004615057 15.999 > 13 19 O 0.08809485409067 0.22008157742373 0.74516004615057 15.999 > 13 20 O 0.42142818742400 0.22008157742373 0.74516004615057 15.999 > 13 21 O 0.75476152075734 0.22008157742373 0.74516004615057 15.999 > 13 22 O 0.08809485409067 0.72008157742373 0.74516004615057 15.999 > 13 23 O 0.42142818742400 0.72008157742373 0.74516004615057 15.999 > 13 24 O 0.75476152075734 0.72008157742373 0.74516004615057 15.999 > 13 25 O 0.08809485409067 0.27991842257627 0.49516004615057 15.999 > 25 26 O 0.42142818742400 0.27991842257627 0.49516004615057 15.999 > 25 27 O 0.75476152075734 0.27991842257627 0.49516004615057 15.999 > 25 28 O 0.08809485409067 0.77991842257627 0.49516004615057 15.999 > 25 29 O 0.42142818742400 0.77991842257627 0.49516004615057 15.999 > 25 30 O 0.75476152075734 0.77991842257627 0.49516004615057 15.999 > 25 31 O 0.08809485409067 0.27991842257627 0.99516004615057 15.999 > 25 32 O 0.42142818742400 0.27991842257627 0.99516004615057 15.999 > 25 33 O 0.75476152075734 0.27991842257627 0.99516004615057 15.999 > 25 34 O 0.08809485409067 0.77991842257627 0.99516004615057 15.999 > 25 35 O 0.42142818742400 0.77991842257627 0.99516004615057 15.999 > 25 36 O 0.75476152075734 0.77991842257627 0.99516004615057 15.999 > 25 37 O 0.24523847924266 0.27991842257627 0.25483995384943 15.999 > 37 38 O 0.57857181257600 0.27991842257627 0.25483995384943 15.999 > 37 39 O 0.91190514590933 0.27991842257627 0.25483995384943 15.999 > 37 40 O 0.24523847924266 0.77991842257627 0.25483995384943 15.999 > 37 41 O 0.57857181257600 0.77991842257627 0.25483995384943 15.999 > 37 42 O 0.91190514590933 0.77991842257627 0.25483995384943 15.999 > 37 43 O 0.24523847924266 0.27991842257627 0.75483995384943 15.999 > 37 44 O 0.57857181257600 0.27991842257627 0.75483995384943 15.999 > 37 45 O 0.91190514590933 0.27991842257627 0.75483995384943 15.999 > 37 46 O 0.24523847924266 0.77991842257627 0.75483995384943 15.999 > 37 47 O 0.57857181257600 0.77991842257627 0.75483995384943 15.999 > 37 48 O 0.91190514590933 0.77991842257627 0.75483995384943 15.999 > 37 49 O 0.08279754281691 0.46166096352889 0.29795533942823 15.999 > 49 50 O 0.41613087615024 0.46166096352889 0.29795533942823 15.999 > 49 51 O 0.74946420948357 0.46166096352889 0.29795533942823 15.999 > 49 52 O 0.08279754281691 0.96166096352889 0.29795533942823 15.999 > 49 53 O 0.41613087615024 0.96166096352889 0.29795533942823 15.999 > 49 54 O 0.74946420948357 0.96166096352889 0.29795533942823 15.999 > 49 55 O 0.08279754281691 0.46166096352889 0.79795533942823 15.999 > 49 56 O 0.41613087615024 0.46166096352889 0.79795533942823 15.999 > 49 57 O 0.74946420948357 0.46166096352889 0.79795533942823 15.999 > 49 58 O 0.08279754281691 0.96166096352889 0.79795533942823 15.999 > 49 59 O 0.41613087615024 0.96166096352889 0.79795533942823 15.999 > 49 60 O 0.74946420948357 0.96166096352889 0.79795533942823 15.999 > 49 61 O 0.25053579051643 0.46166096352889 0.45204466057177 15.999 > 61 62 O 0.58386912384976 0.46166096352889 0.45204466057177 15.999 > 61 63 O 0.91720245718309 0.46166096352889 0.45204466057177 15.999 > 61 64 O 0.25053579051643 0.96166096352889 0.45204466057177 15.999 > 61 65 O 0.58386912384976 0.96166096352889 0.45204466057177 15.999 > 61 66 O 0.91720245718309 0.96166096352889 0.45204466057177 15.999 > 61 67 O 0.25053579051643 0.46166096352889 0.95204466057177 15.999 > 61 68 O 0.58386912384976 0.46166096352889 0.95204466057177 15.999 > 61 69 O 0.91720245718309 0.46166096352889 0.95204466057177 15.999 > 61 70 O 0.25053579051643 0.96166096352889 0.95204466057177 15.999 > 61 71 O 0.58386912384976 0.96166096352889 0.95204466057177 15.999 > 61 72 O 0.91720245718309 0.96166096352889 0.95204466057177 15.999 > 61 73 O 0.25053579051643 0.03833903647111 0.20204466057177 15.999 > 73 74 O 0.58386912384976 0.03833903647111 0.20204466057177 15.999 > 73 75 O 0.91720245718309 0.03833903647111 0.20204466057177 15.999 > 73 76 O 0.25053579051643 0.53833903647111 0.20204466057177 15.999 > 73 77 O 0.58386912384976 0.53833903647111 0.20204466057177 15.999 > 73 78 O 0.91720245718309 0.53833903647111 0.20204466057177 15.999 > 73 79 O 0.25053579051643 0.03833903647111 0.70204466057177 15.999 > 73 80 O 0.58386912384976 0.03833903647111 0.70204466057177 15.999 > 73 81 O 0.91720245718309 0.03833903647111 0.70204466057177 15.999 > 73 82 O 0.25053579051643 0.53833903647111 0.70204466057177 15.999 > 73 83 O 0.58386912384976 0.53833903647111 0.70204466057177 15.999 > 73 84 O 0.91720245718309 0.53833903647111 0.70204466057177 15.999 > 73 85 O 0.08279754281691 0.03833903647111 0.04795533942823 15.999 > 85 86 O 0.41613087615024 0.03833903647111 0.04795533942823 15.999 > 85 87 O 0.74946420948357 0.03833903647111 0.04795533942823 15.999 > 85 88 O 0.08279754281691 0.53833903647111 0.04795533942823 15.999 > 85 89 O 0.41613087615024 0.53833903647111 0.04795533942823 15.999 > 85 90 O 0.74946420948357 0.53833903647111 0.04795533942823 15.999 > 85 91 O 0.08279754281691 0.03833903647111 0.54795533942823 15.999 > 85 92 O 0.41613087615024 0.03833903647111 0.54795533942823 15.999 > 85 93 O 0.74946420948357 0.03833903647111 0.54795533942823 15.999 > 85 94 O 0.08279754281691 0.53833903647111 0.54795533942823 15.999 > 85 95 O 0.41613087615024 0.53833903647111 0.54795533942823 15.999 > 85 96 O 0.74946420948357 0.53833903647111 0.54795533942823 15.999 > 85 97 Er 0.00000000000000 0.11740223832495 0.37500000000000 167.259 > 97 98 Er 0.33333333333333 0.11740223832495 0.37500000000000 167.259 > 97 99 Er 0.66666666666667 0.11740223832495 0.37500000000000 167.259 > 97 100 Er 0.00000000000000 0.61740223832495 0.37500000000000 167.259 > 97 101 Er 0.33333333333333 0.61740223832495 0.37500000000000 167.259 > 97 102 Er 0.66666666666667 0.61740223832495 0.37500000000000 167.259 > 97 103 Er 0.00000000000000 0.11740223832495 0.87500000000000 167.259 > 97 104 Er 0.33333333333333 0.11740223832495 0.87500000000000 167.259 > 97 105 Er 0.66666666666667 0.11740223832495 0.87500000000000 167.259 > 97 106 Er 0.00000000000000 0.61740223832495 0.87500000000000 167.259 > 97 107 Er 0.33333333333333 0.61740223832495 0.87500000000000 167.259 > 97 108 Er 0.66666666666667 0.61740223832495 0.87500000000000 167.259 > 97 109 Er 0.00000000000000 0.38259776167505 0.12500000000000 167.259 > 109 110 Er 0.33333333333333 0.38259776167505 0.12500000000000 167.259 > 109 111 Er 0.66666666666667 0.38259776167505 0.12500000000000 167.259 > 109 112 Er 0.00000000000000 0.88259776167505 0.12500000000000 167.259 > 109 113 Er 0.33333333333333 0.88259776167505 0.12500000000000 167.259 > 109 114 Er 0.66666666666667 0.88259776167505 0.12500000000000 167.259 > 109 115 Er 0.00000000000000 0.38259776167505 0.62500000000000 167.259 > 109 116 Er 0.33333333333333 0.38259776167505 0.62500000000000 167.259 > 109 117 Er 0.66666666666667 0.38259776167505 0.62500000000000 167.259 > 109 118 Er 0.00000000000000 0.88259776167505 0.62500000000000 167.259 > 109 119 Er 0.33333333333333 0.88259776167505 0.62500000000000 167.259 > 109 120 Er 0.66666666666667 0.88259776167505 0.62500000000000 167.259 > 109 121 Ta 0.16666666666667 0.15125216139171 0.12500000000000 180.948 > 121 122 Ta 0.50000000000000 0.15125216139171 0.12500000000000 180.948 > 121 123 Ta 0.83333333333333 0.15125216139171 0.12500000000000 180.948 > 121 124 Ta 0.16666666666667 0.65125216139171 0.12500000000000 180.948 > 121 125 Ta 0.50000000000000 0.65125216139171 0.12500000000000 180.948 > 121 126 Ta 0.83333333333333 0.65125216139171 0.12500000000000 180.948 > 121 127 Ta 0.16666666666667 0.15125216139171 0.62500000000000 180.948 > 121 128 Ta 0.50000000000000 0.15125216139171 0.62500000000000 180.948 > 121 129 Ta 0.83333333333333 0.15125216139171 0.62500000000000 180.948 > 121 130 Ta 0.16666666666667 0.65125216139171 0.62500000000000 180.948 > 121 131 Ta 0.50000000000000 0.65125216139171 0.62500000000000 180.948 > 121 132 Ta 0.83333333333333 0.65125216139171 0.62500000000000 180.948 > 121 133 Ta 0.16666666666667 0.34874783860829 0.37500000000000 180.948 > 133 134 Ta 0.50000000000000 0.34874783860829 0.37500000000000 180.948 > 133 135 Ta 0.83333333333333 0.34874783860829 0.37500000000000 180.948 > 133 136 Ta 0.16666666666667 0.84874783860829 0.37500000000000 180.948 > 133 137 Ta 0.50000000000000 0.84874783860829 0.37500000000000 180.948 > 133 138 Ta 0.83333333333333 0.84874783860829 0.37500000000000 180.948 > 133 139 Ta 0.16666666666667 0.34874783860829 0.87500000000000 180.948 > 133 140 Ta 0.50000000000000 0.34874783860829 0.87500000000000 180.948 > 133 141 Ta 0.83333333333333 0.34874783860829 0.87500000000000 180.948 > 133 142 Ta 0.16666666666667 0.84874783860829 0.87500000000000 180.948 > 133 143 Ta 0.50000000000000 0.84874783860829 0.87500000000000 180.948 > 133 144 Ta 0.83333333333333 0.84874783860829 0.87500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8789690 0.0000000 0.1915343 0.0000000 4.6792448 0.0000000 0.1915337 0.0000000 4.6775490 -------------------------- Born effective charges -------------------------- 1 O -2.5218309 -0.1154806 0.5331829 -0.0241750 -2.1331212 0.5230135 0.5573462 0.4990519 -2.5593946 2 O -2.5218309 0.1154806 0.5331829 0.0241750 -2.1331212 -0.5230135 0.5573462 -0.4990519 -2.5593946 3 O -2.5218309 -0.1154806 0.5331829 -0.0241750 -2.1331212 0.5230135 0.5573462 0.4990519 -2.5593946 4 O -2.5218309 0.1154806 0.5331829 0.0241750 -2.1331212 -0.5230135 0.5573462 -0.4990519 -2.5593946 5 O -2.5703699 1.0404605 -0.8066413 1.1305570 -2.6109044 0.3004176 -0.8877748 0.2812421 -2.1620788 6 O -2.5703699 -1.0404605 -0.8066413 -1.1305570 -2.6109044 -0.3004176 -0.8877748 -0.2812421 -2.1620788 7 O -2.5703699 1.0404605 -0.8066413 1.1305570 -2.6109044 0.3004176 -0.8877748 0.2812421 -2.1620788 8 O -2.5703699 -1.0404605 -0.8066413 -1.1305570 -2.6109044 -0.3004176 -0.8877748 -0.2812421 -2.1620788 9 Er 4.6957887 0.0000000 0.1541295 0.0000000 3.8680713 0.0000000 0.1857043 0.0000000 4.0535569 10 Er 4.6957887 0.0000000 0.1541295 0.0000000 3.8680713 0.0000000 0.1857043 0.0000000 4.0535569 11 Ta 5.4886130 0.0000000 0.3927873 0.0000000 5.6199798 0.0000000 0.4751530 0.0000000 5.3893898 12 Ta 5.4886130 0.0000000 0.3927873 0.0000000 5.6199798 0.0000000 0.4751530 0.0000000 5.3893898 ---------------------------------------------------------------------------- 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] [-0.0011 0.0000 0.0099] [ 0.0011 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] [-0.0011 0.0000 0.0099] [ 0.0011 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] [-0.0011 0.0000 0.0099] [ 0.0011 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] [-0.0011 0.0000 0.0099] [ 0.0011 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000011 (yyy) 0.00000011 (yyy) 0.00000011 (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 19:33:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:33:55]------------------------- 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 5.072321420367758 0.000000000000000 0.000000000000000 b 0.000000000000000 5.372808920000001 0.000000000000000 c -0.601731674586987 0.000000000000000 5.218101386325031 Atomic positions (fractional): 1 O 0.73571543772799 0.44016315484746 0.00967990769886 15.999 2 O 0.26428456227201 0.44016315484746 0.49032009230114 15.999 3 O 0.26428456227201 0.55983684515254 0.99032009230114 15.999 4 O 0.73571543772799 0.55983684515254 0.50967990769886 15.999 5 O 0.24839262845072 0.92332192705777 0.59591067885645 15.999 6 O 0.75160737154928 0.92332192705777 0.90408932114355 15.999 7 O 0.75160737154928 0.07667807294223 0.40408932114355 15.999 8 O 0.24839262845072 0.07667807294223 0.09591067885646 15.999 9 Er 0.00000000000000 0.23480447664991 0.75000000000000 167.259 10 Er 0.00000000000000 0.76519552335009 0.25000000000000 167.259 11 Ta 0.50000000000000 0.30250432278342 0.25000000000000 180.948 12 Ta 0.50000000000000 0.69749567721658 0.75000000000000 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.216964261103275 0.000000000000000 0.000000000000000 b 0.000000000000000 10.745617840000001 0.000000000000000 c -1.203463349173974 0.000000000000000 10.436202772650063 Atomic positions (fractional): 1 O 0.24523847924266 0.22008157742373 0.00483995384943 15.999 > 1 2 O 0.57857181257600 0.22008157742373 0.00483995384943 15.999 > 1 3 O 0.91190514590933 0.22008157742373 0.00483995384943 15.999 > 1 4 O 0.24523847924266 0.72008157742373 0.00483995384943 15.999 > 1 5 O 0.57857181257600 0.72008157742373 0.00483995384943 15.999 > 1 6 O 0.91190514590933 0.72008157742373 0.00483995384943 15.999 > 1 7 O 0.24523847924266 0.22008157742373 0.50483995384943 15.999 > 1 8 O 0.57857181257600 0.22008157742373 0.50483995384943 15.999 > 1 9 O 0.91190514590933 0.22008157742373 0.50483995384943 15.999 > 1 10 O 0.24523847924266 0.72008157742373 0.50483995384943 15.999 > 1 11 O 0.57857181257600 0.72008157742373 0.50483995384943 15.999 > 1 12 O 0.91190514590933 0.72008157742373 0.50483995384943 15.999 > 1 13 O 0.08809485409067 0.22008157742373 0.24516004615057 15.999 > 13 14 O 0.42142818742400 0.22008157742373 0.24516004615057 15.999 > 13 15 O 0.75476152075734 0.22008157742373 0.24516004615057 15.999 > 13 16 O 0.08809485409067 0.72008157742373 0.24516004615057 15.999 > 13 17 O 0.42142818742400 0.72008157742373 0.24516004615057 15.999 > 13 18 O 0.75476152075734 0.72008157742373 0.24516004615057 15.999 > 13 19 O 0.08809485409067 0.22008157742373 0.74516004615057 15.999 > 13 20 O 0.42142818742400 0.22008157742373 0.74516004615057 15.999 > 13 21 O 0.75476152075734 0.22008157742373 0.74516004615057 15.999 > 13 22 O 0.08809485409067 0.72008157742373 0.74516004615057 15.999 > 13 23 O 0.42142818742400 0.72008157742373 0.74516004615057 15.999 > 13 24 O 0.75476152075734 0.72008157742373 0.74516004615057 15.999 > 13 25 O 0.08809485409067 0.27991842257627 0.49516004615057 15.999 > 25 26 O 0.42142818742400 0.27991842257627 0.49516004615057 15.999 > 25 27 O 0.75476152075734 0.27991842257627 0.49516004615057 15.999 > 25 28 O 0.08809485409067 0.77991842257627 0.49516004615057 15.999 > 25 29 O 0.42142818742400 0.77991842257627 0.49516004615057 15.999 > 25 30 O 0.75476152075734 0.77991842257627 0.49516004615057 15.999 > 25 31 O 0.08809485409067 0.27991842257627 0.99516004615057 15.999 > 25 32 O 0.42142818742400 0.27991842257627 0.99516004615057 15.999 > 25 33 O 0.75476152075734 0.27991842257627 0.99516004615057 15.999 > 25 34 O 0.08809485409067 0.77991842257627 0.99516004615057 15.999 > 25 35 O 0.42142818742400 0.77991842257627 0.99516004615057 15.999 > 25 36 O 0.75476152075734 0.77991842257627 0.99516004615057 15.999 > 25 37 O 0.24523847924266 0.27991842257627 0.25483995384943 15.999 > 37 38 O 0.57857181257600 0.27991842257627 0.25483995384943 15.999 > 37 39 O 0.91190514590933 0.27991842257627 0.25483995384943 15.999 > 37 40 O 0.24523847924266 0.77991842257627 0.25483995384943 15.999 > 37 41 O 0.57857181257600 0.77991842257627 0.25483995384943 15.999 > 37 42 O 0.91190514590933 0.77991842257627 0.25483995384943 15.999 > 37 43 O 0.24523847924266 0.27991842257627 0.75483995384943 15.999 > 37 44 O 0.57857181257600 0.27991842257627 0.75483995384943 15.999 > 37 45 O 0.91190514590933 0.27991842257627 0.75483995384943 15.999 > 37 46 O 0.24523847924266 0.77991842257627 0.75483995384943 15.999 > 37 47 O 0.57857181257600 0.77991842257627 0.75483995384943 15.999 > 37 48 O 0.91190514590933 0.77991842257627 0.75483995384943 15.999 > 37 49 O 0.08279754281691 0.46166096352889 0.29795533942823 15.999 > 49 50 O 0.41613087615024 0.46166096352889 0.29795533942823 15.999 > 49 51 O 0.74946420948357 0.46166096352889 0.29795533942823 15.999 > 49 52 O 0.08279754281691 0.96166096352889 0.29795533942823 15.999 > 49 53 O 0.41613087615024 0.96166096352889 0.29795533942823 15.999 > 49 54 O 0.74946420948357 0.96166096352889 0.29795533942823 15.999 > 49 55 O 0.08279754281691 0.46166096352889 0.79795533942823 15.999 > 49 56 O 0.41613087615024 0.46166096352889 0.79795533942823 15.999 > 49 57 O 0.74946420948357 0.46166096352889 0.79795533942823 15.999 > 49 58 O 0.08279754281691 0.96166096352889 0.79795533942823 15.999 > 49 59 O 0.41613087615024 0.96166096352889 0.79795533942823 15.999 > 49 60 O 0.74946420948357 0.96166096352889 0.79795533942823 15.999 > 49 61 O 0.25053579051643 0.46166096352889 0.45204466057177 15.999 > 61 62 O 0.58386912384976 0.46166096352889 0.45204466057177 15.999 > 61 63 O 0.91720245718309 0.46166096352889 0.45204466057177 15.999 > 61 64 O 0.25053579051643 0.96166096352889 0.45204466057177 15.999 > 61 65 O 0.58386912384976 0.96166096352889 0.45204466057177 15.999 > 61 66 O 0.91720245718309 0.96166096352889 0.45204466057177 15.999 > 61 67 O 0.25053579051643 0.46166096352889 0.95204466057177 15.999 > 61 68 O 0.58386912384976 0.46166096352889 0.95204466057177 15.999 > 61 69 O 0.91720245718309 0.46166096352889 0.95204466057177 15.999 > 61 70 O 0.25053579051643 0.96166096352889 0.95204466057177 15.999 > 61 71 O 0.58386912384976 0.96166096352889 0.95204466057177 15.999 > 61 72 O 0.91720245718309 0.96166096352889 0.95204466057177 15.999 > 61 73 O 0.25053579051643 0.03833903647111 0.20204466057177 15.999 > 73 74 O 0.58386912384976 0.03833903647111 0.20204466057177 15.999 > 73 75 O 0.91720245718309 0.03833903647111 0.20204466057177 15.999 > 73 76 O 0.25053579051643 0.53833903647111 0.20204466057177 15.999 > 73 77 O 0.58386912384976 0.53833903647111 0.20204466057177 15.999 > 73 78 O 0.91720245718309 0.53833903647111 0.20204466057177 15.999 > 73 79 O 0.25053579051643 0.03833903647111 0.70204466057177 15.999 > 73 80 O 0.58386912384976 0.03833903647111 0.70204466057177 15.999 > 73 81 O 0.91720245718309 0.03833903647111 0.70204466057177 15.999 > 73 82 O 0.25053579051643 0.53833903647111 0.70204466057177 15.999 > 73 83 O 0.58386912384976 0.53833903647111 0.70204466057177 15.999 > 73 84 O 0.91720245718309 0.53833903647111 0.70204466057177 15.999 > 73 85 O 0.08279754281691 0.03833903647111 0.04795533942823 15.999 > 85 86 O 0.41613087615024 0.03833903647111 0.04795533942823 15.999 > 85 87 O 0.74946420948357 0.03833903647111 0.04795533942823 15.999 > 85 88 O 0.08279754281691 0.53833903647111 0.04795533942823 15.999 > 85 89 O 0.41613087615024 0.53833903647111 0.04795533942823 15.999 > 85 90 O 0.74946420948357 0.53833903647111 0.04795533942823 15.999 > 85 91 O 0.08279754281691 0.03833903647111 0.54795533942823 15.999 > 85 92 O 0.41613087615024 0.03833903647111 0.54795533942823 15.999 > 85 93 O 0.74946420948357 0.03833903647111 0.54795533942823 15.999 > 85 94 O 0.08279754281691 0.53833903647111 0.54795533942823 15.999 > 85 95 O 0.41613087615024 0.53833903647111 0.54795533942823 15.999 > 85 96 O 0.74946420948357 0.53833903647111 0.54795533942823 15.999 > 85 97 Er 0.00000000000000 0.11740223832495 0.37500000000000 167.259 > 97 98 Er 0.33333333333333 0.11740223832495 0.37500000000000 167.259 > 97 99 Er 0.66666666666667 0.11740223832495 0.37500000000000 167.259 > 97 100 Er 0.00000000000000 0.61740223832495 0.37500000000000 167.259 > 97 101 Er 0.33333333333333 0.61740223832495 0.37500000000000 167.259 > 97 102 Er 0.66666666666667 0.61740223832495 0.37500000000000 167.259 > 97 103 Er 0.00000000000000 0.11740223832495 0.87500000000000 167.259 > 97 104 Er 0.33333333333333 0.11740223832495 0.87500000000000 167.259 > 97 105 Er 0.66666666666667 0.11740223832495 0.87500000000000 167.259 > 97 106 Er 0.00000000000000 0.61740223832495 0.87500000000000 167.259 > 97 107 Er 0.33333333333333 0.61740223832495 0.87500000000000 167.259 > 97 108 Er 0.66666666666667 0.61740223832495 0.87500000000000 167.259 > 97 109 Er 0.00000000000000 0.38259776167505 0.12500000000000 167.259 > 109 110 Er 0.33333333333333 0.38259776167505 0.12500000000000 167.259 > 109 111 Er 0.66666666666667 0.38259776167505 0.12500000000000 167.259 > 109 112 Er 0.00000000000000 0.88259776167505 0.12500000000000 167.259 > 109 113 Er 0.33333333333333 0.88259776167505 0.12500000000000 167.259 > 109 114 Er 0.66666666666667 0.88259776167505 0.12500000000000 167.259 > 109 115 Er 0.00000000000000 0.38259776167505 0.62500000000000 167.259 > 109 116 Er 0.33333333333333 0.38259776167505 0.62500000000000 167.259 > 109 117 Er 0.66666666666667 0.38259776167505 0.62500000000000 167.259 > 109 118 Er 0.00000000000000 0.88259776167505 0.62500000000000 167.259 > 109 119 Er 0.33333333333333 0.88259776167505 0.62500000000000 167.259 > 109 120 Er 0.66666666666667 0.88259776167505 0.62500000000000 167.259 > 109 121 Ta 0.16666666666667 0.15125216139171 0.12500000000000 180.948 > 121 122 Ta 0.50000000000000 0.15125216139171 0.12500000000000 180.948 > 121 123 Ta 0.83333333333333 0.15125216139171 0.12500000000000 180.948 > 121 124 Ta 0.16666666666667 0.65125216139171 0.12500000000000 180.948 > 121 125 Ta 0.50000000000000 0.65125216139171 0.12500000000000 180.948 > 121 126 Ta 0.83333333333333 0.65125216139171 0.12500000000000 180.948 > 121 127 Ta 0.16666666666667 0.15125216139171 0.62500000000000 180.948 > 121 128 Ta 0.50000000000000 0.15125216139171 0.62500000000000 180.948 > 121 129 Ta 0.83333333333333 0.15125216139171 0.62500000000000 180.948 > 121 130 Ta 0.16666666666667 0.65125216139171 0.62500000000000 180.948 > 121 131 Ta 0.50000000000000 0.65125216139171 0.62500000000000 180.948 > 121 132 Ta 0.83333333333333 0.65125216139171 0.62500000000000 180.948 > 121 133 Ta 0.16666666666667 0.34874783860829 0.37500000000000 180.948 > 133 134 Ta 0.50000000000000 0.34874783860829 0.37500000000000 180.948 > 133 135 Ta 0.83333333333333 0.34874783860829 0.37500000000000 180.948 > 133 136 Ta 0.16666666666667 0.84874783860829 0.37500000000000 180.948 > 133 137 Ta 0.50000000000000 0.84874783860829 0.37500000000000 180.948 > 133 138 Ta 0.83333333333333 0.84874783860829 0.37500000000000 180.948 > 133 139 Ta 0.16666666666667 0.34874783860829 0.87500000000000 180.948 > 133 140 Ta 0.50000000000000 0.34874783860829 0.87500000000000 180.948 > 133 141 Ta 0.83333333333333 0.34874783860829 0.87500000000000 180.948 > 133 142 Ta 0.16666666666667 0.84874783860829 0.87500000000000 180.948 > 133 143 Ta 0.50000000000000 0.84874783860829 0.87500000000000 180.948 > 133 144 Ta 0.83333333333333 0.84874783860829 0.87500000000000 180.948 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8789690 0.0000000 0.1915343 0.0000000 4.6792448 0.0000000 0.1915337 0.0000000 4.6775490 -------------------------- Born effective charges -------------------------- 1 O -2.5218309 -0.1154806 0.5331829 -0.0241750 -2.1331212 0.5230135 0.5573462 0.4990519 -2.5593946 2 O -2.5218309 0.1154806 0.5331829 0.0241750 -2.1331212 -0.5230135 0.5573462 -0.4990519 -2.5593946 3 O -2.5218309 -0.1154806 0.5331829 -0.0241750 -2.1331212 0.5230135 0.5573462 0.4990519 -2.5593946 4 O -2.5218309 0.1154806 0.5331829 0.0241750 -2.1331212 -0.5230135 0.5573462 -0.4990519 -2.5593946 5 O -2.5703699 1.0404605 -0.8066413 1.1305570 -2.6109044 0.3004176 -0.8877748 0.2812421 -2.1620788 6 O -2.5703699 -1.0404605 -0.8066413 -1.1305570 -2.6109044 -0.3004176 -0.8877748 -0.2812421 -2.1620788 7 O -2.5703699 1.0404605 -0.8066413 1.1305570 -2.6109044 0.3004176 -0.8877748 0.2812421 -2.1620788 8 O -2.5703699 -1.0404605 -0.8066413 -1.1305570 -2.6109044 -0.3004176 -0.8877748 -0.2812421 -2.1620788 9 Er 4.6957887 0.0000000 0.1541295 0.0000000 3.8680713 0.0000000 0.1857043 0.0000000 4.0535569 10 Er 4.6957887 0.0000000 0.1541295 0.0000000 3.8680713 0.0000000 0.1857043 0.0000000 4.0535569 11 Ta 5.4886130 0.0000000 0.3927873 0.0000000 5.6199798 0.0000000 0.4751530 0.0000000 5.3893898 12 Ta 5.4886130 0.0000000 0.3927873 0.0000000 5.6199798 0.0000000 0.4751530 0.0000000 5.3893898 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000011 (yyy) 0.00000011 (yyy) 0.00000011 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 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: 0.80, 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 7.23e-05 7.23e-05 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 3.253 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.175 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.695 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 7.764 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 8.340 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 9.264 ( 0.000 0.000 0.000) 0.000 9.460 ( 0.000 0.000 0.000) 0.000 10.537 ( 0.000 0.000 0.000) 0.000 11.426 ( 0.000 0.000 0.000) 0.000 12.239 ( 0.000 0.000 0.000) 0.000 12.278 ( 0.000 0.000 0.000) 0.000 12.800 ( 0.000 0.000 0.000) 0.000 14.930 ( 0.000 0.000 0.000) 0.000 15.018 ( 0.000 0.000 0.000) 0.000 16.184 ( 0.000 0.000 0.000) 0.000 16.221 ( 0.000 0.000 0.000) 0.000 18.506 ( 0.000 0.000 0.000) 0.000 19.785 ( 0.000 0.000 0.000) 0.000 19.788 ( 0.000 0.000 0.000) 0.000 19.931 ( 0.000 0.000 0.000) 0.000 21.022 ( 0.000 0.000 0.000) 0.000 23.628 ( 0.000 0.000 0.000) 0.000 24.199 ( 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 7.23e-05 7.23e-05 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| 0.551 ( 25.848 0.000 13.223) 29.034 0.557 ( 27.924 0.000 0.903) 27.939 1.164 ( 56.527 0.000 14.868) 58.450 3.297 ( 3.257 0.000 7.403) 8.088 3.321 ( -0.341 0.000 -1.343) 1.386 3.704 ( 2.227 0.000 2.719) 3.514 4.030 ( -7.255 0.000 1.141) 7.344 4.199 ( 0.580 0.000 1.256) 1.383 4.372 ( 2.642 0.000 -9.656) 10.011 4.747 ( 2.731 0.000 6.828) 7.354 5.323 ( -0.901 0.000 2.755) 2.899 5.337 ( 0.336 0.000 2.794) 2.814 6.634 ( -0.472 0.000 -2.452) 2.497 7.184 ( 2.457 0.000 -53.286) 53.343 7.788 ( 1.789 0.000 0.032) 1.790 7.808 ( -2.525 0.000 -4.464) 5.128 8.274 ( -8.189 0.000 -3.151) 8.775 8.331 ( -0.609 0.000 -2.622) 2.692 9.490 ( 3.173 0.000 4.694) 5.665 10.601 ( 6.119 0.000 -3.357) 6.979 11.037 ( -19.850 0.000 180.609) 181.696 11.432 ( 0.854 0.000 -0.898) 1.239 12.181 ( -6.228 0.000 9.101) 11.028 12.455 ( 12.087 0.000 -42.988) 44.655 12.883 ( 8.173 0.000 1.094) 8.246 14.908 ( -2.193 0.000 -0.392) 2.228 15.028 ( 0.893 0.000 0.415) 0.985 16.168 ( -5.244 0.000 -0.561) 5.274 17.200 ( 18.154 0.000 -100.355) 101.984 18.534 ( 2.000 0.000 7.280) 7.549 19.719 ( -6.906 0.000 0.613) 6.933 19.877 ( -5.437 0.000 0.309) 5.446 20.887 ( -11.871 0.000 -7.525) 14.055 23.718 ( 8.258 0.000 1.989) 8.494 24.002 ( -10.842 0.000 33.492) 35.203 24.290 ( 4.306 0.000 15.141) 15.742 ======================= 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 7.23e-05 7.23e-05 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| 1.071 ( 23.817 0.000 12.006) 26.672 1.100 ( 26.869 0.000 0.861) 26.882 2.277 ( 52.279 0.000 14.181) 54.168 3.283 ( -3.341 0.000 -3.823) 5.077 3.396 ( 4.130 0.000 11.383) 12.109 3.712 ( -6.819 0.000 6.008) 9.088 3.900 ( -1.716 0.000 -1.137) 2.058 4.235 ( 3.367 0.000 -1.048) 3.527 4.404 ( 3.479 0.000 -13.173) 13.625 4.830 ( 4.368 0.000 -1.038) 4.490 5.311 ( -1.110 0.000 6.197) 6.296 5.361 ( 1.355 0.000 3.469) 3.724 6.616 ( -0.496 0.000 -4.039) 4.069 7.076 ( -4.536 0.000 -23.253) 23.692 7.715 ( -5.927 0.000 -3.867) 7.077 7.803 ( -0.988 0.000 0.933) 1.359 8.051 ( -12.865 0.000 -3.406) 13.308 8.308 ( -0.892 0.000 -4.090) 4.186 9.631 ( 10.275 0.000 3.493) 10.852 10.724 ( 6.420 0.000 -4.486) 7.832 11.063 ( -7.587 0.000 79.095) 79.458 11.462 ( 2.466 0.000 -1.179) 2.733 12.102 ( -4.628 0.000 15.798) 16.462 12.596 ( 10.255 0.000 -26.822) 28.715 13.120 ( 15.116 0.000 2.494) 15.320 14.845 ( -3.963 0.000 -0.604) 4.008 15.046 ( 0.389 0.000 0.652) 0.759 16.017 ( -9.583 0.000 -0.931) 9.628 17.383 ( 17.005 0.000 -46.708) 49.707 18.620 ( 4.480 0.000 13.058) 13.805 19.510 ( -14.414 0.000 1.418) 14.483 19.726 ( -9.814 0.000 0.970) 9.862 20.577 ( -15.650 0.000 -13.585) 20.724 23.858 ( -9.021 0.000 13.848) 16.527 23.926 ( 11.429 0.000 2.732) 11.751 24.408 ( 4.670 0.000 8.965) 10.108 ======================= 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 7.23e-05 7.23e-05 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| 1.541 ( 21.222 0.000 10.532) 23.692 1.615 ( 25.032 0.000 0.729) 25.043 3.070 ( 0.384 0.000 0.734) 0.828 3.356 ( 35.978 0.000 5.813) 36.445 3.447 ( -14.150 0.000 2.326) 14.340 3.509 ( 0.776 0.000 9.018) 9.051 3.938 ( 1.663 0.000 4.897) 5.172 4.333 ( 6.740 0.000 -1.980) 7.025 4.470 ( 6.590 0.000 -12.805) 14.401 4.884 ( 1.141 0.000 -5.217) 5.341 5.310 ( -1.103 0.000 9.927) 9.988 5.402 ( 1.839 0.000 2.422) 3.041 6.600 ( -0.192 0.000 -3.872) 3.877 6.907 ( -7.795 0.000 -14.786) 16.715 7.563 ( -8.251 0.000 -2.857) 8.732 7.749 ( -4.316 0.000 0.365) 4.332 7.787 ( -12.394 0.000 -0.859) 12.423 8.281 ( -0.780 0.000 -3.804) 3.883 9.885 ( 13.931 0.000 0.044) 13.931 10.816 ( 3.896 0.000 -3.560) 5.278 11.096 ( -2.941 0.000 40.654) 40.761 11.520 ( 3.377 0.000 -0.984) 3.517 12.064 ( -2.882 0.000 14.035) 14.328 12.737 ( 8.973 0.000 -16.940) 19.170 13.479 ( 20.273 0.000 3.830) 20.632 14.755 ( -4.700 0.000 -0.596) 4.738 15.011 ( -5.336 0.000 -0.249) 5.341 15.816 ( -9.354 0.000 -0.563) 9.371 17.638 ( 16.657 0.000 -26.646) 31.424 18.766 ( 6.646 0.000 15.849) 17.186 19.178 ( -18.507 0.000 1.396) 18.560 19.510 ( -11.891 0.000 1.955) 12.050 20.254 ( -12.955 0.000 -16.251) 20.783 23.718 ( -7.311 0.000 6.903) 10.055 24.150 ( 10.022 0.000 2.387) 10.302 24.510 ( 3.880 0.000 5.661) 6.863 ======================= 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 7.23e-05 7.23e-05 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| 1.947 ( 17.157 0.000 8.408) 19.106 2.080 ( 21.389 0.000 0.523) 21.395 2.873 ( -12.054 0.000 -5.648) 13.312 3.101 ( -17.956 0.000 -0.382) 17.960 3.579 ( 2.226 0.000 6.324) 6.704 3.950 ( -0.946 0.000 3.143) 3.282 4.135 ( 33.144 0.000 10.452) 34.753 4.472 ( 7.321 0.000 -3.131) 7.963 4.588 ( 6.545 0.000 -6.981) 9.569 4.843 ( -3.722 0.000 -8.739) 9.499 5.289 ( -4.104 0.000 10.984) 11.725 5.436 ( 1.085 0.000 1.073) 1.526 6.592 ( -0.038 0.000 -0.895) 0.895 6.727 ( -6.584 0.000 -11.251) 13.036 7.404 ( -6.565 0.000 -1.121) 6.660 7.578 ( -7.569 0.000 -1.186) 7.661 7.669 ( -3.772 0.000 1.514) 4.064 8.262 ( -0.428 0.000 -2.179) 2.221 10.125 ( 9.352 0.000 -1.418) 9.459 10.869 ( 2.200 0.000 -1.567) 2.701 11.127 ( -0.762 0.000 17.893) 17.909 11.577 ( 2.280 0.000 -0.564) 2.349 12.046 ( -1.547 0.000 7.670) 7.824 12.860 ( 5.882 0.000 -7.942) 9.883 13.920 ( 23.084 0.000 4.411) 23.502 14.670 ( -3.456 0.000 -0.380) 3.476 14.793 ( -16.510 0.000 -2.433) 16.688 15.689 ( -3.398 0.000 0.262) 3.408 17.886 ( 11.990 0.000 -13.469) 18.032 18.848 ( -12.967 0.000 1.619) 13.068 18.935 ( 5.922 0.000 11.873) 13.268 19.294 ( -9.516 0.000 2.263) 9.781 20.007 ( -8.273 0.000 -12.886) 15.313 23.612 ( -4.231 0.000 2.883) 5.120 24.313 ( 5.736 0.000 1.366) 5.897 24.581 ( 2.216 0.000 2.864) 3.622 ======================= 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 7.23e-05 7.23e-05 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| 2.170 ( -0.000 0.000 -0.000) 0.000 2.360 ( 0.000 0.000 -0.000) 0.000 2.700 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 -0.000) 0.000 3.940 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 -0.000) 0.000 4.652 ( 0.000 0.000 -0.000) 0.000 4.690 ( 0.000 0.000 -0.000) 0.000 5.233 ( 0.000 0.000 -0.000) 0.000 5.448 ( 0.000 0.000 -0.000) 0.000 6.593 ( 0.000 0.000 0.000) 0.000 6.638 ( 0.000 0.000 -0.000) 0.000 7.333 ( 0.000 0.000 -0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 7.630 ( 0.000 0.000 -0.000) 0.000 8.255 ( 0.000 0.000 -0.000) 0.000 10.219 ( 0.000 0.000 0.000) 0.000 10.891 ( 0.000 0.000 -0.000) 0.000 11.141 ( 0.000 0.000 -0.000) 0.000 11.599 ( 0.000 0.000 0.000) 0.000 12.039 ( 0.000 0.000 -0.000) 0.000 12.913 ( 0.000 0.000 0.000) 0.000 14.380 ( 0.000 0.000 0.000) 0.000 14.395 ( -0.000 0.000 -0.000) 0.000 14.633 ( 0.000 0.000 0.000) 0.000 15.661 ( 0.000 0.000 -0.000) 0.000 17.999 ( 0.000 0.000 0.000) 0.000 18.712 ( 0.000 0.000 0.000) 0.000 19.021 ( 0.000 0.000 -0.000) 0.000 19.192 ( 0.000 0.000 -0.000) 0.000 19.902 ( 0.000 0.000 0.000) 0.000 23.573 ( 0.000 0.000 -0.000) 0.000 24.372 ( 0.000 0.000 -0.000) 0.000 24.607 ( 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 7.23e-05 7.23e-05 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| 0.514 ( 0.000 24.800 0.000) 24.800 0.587 ( 0.000 27.917 0.000) 27.917 0.962 ( 0.000 45.774 0.000) 45.774 3.215 ( 0.000 -3.799 0.000) 3.799 3.373 ( 0.000 4.572 0.000) 4.572 3.654 ( 0.000 -3.162 0.000) 3.162 4.159 ( 0.000 -0.198 0.000) 0.198 4.226 ( 0.000 -1.112 0.000) 1.112 4.397 ( 0.000 3.829 0.000) 3.829 4.586 ( 0.000 2.716 0.000) 2.716 5.359 ( 0.000 2.278 0.000) 2.278 5.470 ( 0.000 9.183 0.000) 9.183 5.724 ( 0.000 4.913 0.000) 4.913 6.747 ( 0.000 9.754 0.000) 9.754 7.858 ( 0.000 3.249 0.000) 3.249 8.286 ( 0.000 -4.488 0.000) 4.488 8.412 ( 0.000 4.733 0.000) 4.733 8.716 ( 0.000 -2.810 0.000) 2.810 9.313 ( 0.000 4.993 0.000) 4.993 9.567 ( 0.000 4.772 0.000) 4.772 10.520 ( 0.000 -1.773 0.000) 1.773 12.043 ( 0.000 -16.076 0.000) 16.076 12.303 ( 0.000 2.717 0.000) 2.717 12.920 ( 0.000 8.757 0.000) 8.757 14.015 ( 0.000 -4.200 0.000) 4.200 14.990 ( 0.000 -2.665 0.000) 2.665 15.010 ( 0.000 6.691 0.000) 6.691 16.163 ( 0.000 -1.892 0.000) 1.892 16.248 ( 0.000 -11.855 0.000) 11.855 19.721 ( 0.000 -2.983 0.000) 2.983 19.855 ( 0.000 3.240 0.000) 3.240 19.982 ( 0.000 4.705 0.000) 4.705 21.016 ( 0.000 -0.566 0.000) 0.566 21.286 ( 0.000 -5.143 0.000) 5.143 24.223 ( 0.000 2.250 0.000) 2.250 24.612 ( 0.000 -0.367 0.000) 0.367 ======================= 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 7.23e-05 7.23e-05 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| 0.708 ( 15.639 18.349 8.528) 25.573 0.848 ( 21.470 18.402 6.825) 29.089 1.480 ( 41.911 27.071 7.107) 50.397 3.259 ( 3.033 -3.593 6.887) 8.339 3.368 ( -0.397 4.104 -1.186) 4.290 3.689 ( 3.284 -2.804 0.479) 4.345 4.024 ( -9.671 0.031 2.653) 10.029 4.238 ( 3.185 2.586 -5.127) 6.567 4.429 ( 0.568 5.399 -2.235) 5.871 4.696 ( 5.357 -2.723 3.619) 7.015 5.341 ( -1.626 2.202 0.488) 2.780 5.518 ( 1.096 13.846 4.560) 14.618 6.345 ( 36.068 -31.504 -10.954) 49.126 6.737 ( -0.741 9.401 -2.395) 9.730 7.829 ( -3.122 3.979 0.743) 5.112 8.150 ( -12.880 2.176 -5.290) 14.093 8.304 ( -9.468 5.682 1.577) 11.154 8.496 ( -0.904 10.873 -20.130) 22.896 9.540 ( 1.544 4.365 4.650) 6.562 9.984 ( 29.295 -25.833 54.629) 67.155 10.600 ( 7.723 -0.730 -2.923) 8.289 12.072 ( 1.294 -11.800 13.400) 17.902 12.248 ( -6.923 3.774 -1.237) 7.982 12.974 ( -0.871 11.619 12.937) 17.411 13.115 ( -40.298 40.858 3.093) 57.471 14.904 ( -4.187 -0.519 -3.708) 5.617 15.042 ( 1.972 2.029 3.298) 4.345 16.101 ( -6.615 -7.119 0.199) 9.720 16.750 ( 32.479 -24.185 -48.946) 63.526 18.988 ( -24.291 22.566 -16.302) 36.946 19.713 ( -8.149 0.291 0.745) 8.188 19.943 ( -4.564 5.731 -0.232) 7.330 20.878 ( -11.933 -0.838 -7.035) 13.878 22.565 ( 53.033 -50.648 33.496) 80.620 24.174 ( -4.826 3.148 0.304) 5.770 24.535 ( -4.647 6.742 7.569) 11.151 ======================= 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 7.23e-05 7.23e-05 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| 1.116 ( 22.143 8.834 7.450) 24.977 1.311 ( 23.319 14.017 4.009) 27.501 2.396 ( 45.698 11.114 11.443) 48.402 3.296 ( -2.403 0.460 -1.049) 2.662 3.385 ( 2.861 -0.463 8.979) 9.436 3.750 ( -3.344 2.710 4.279) 6.069 3.843 ( -3.717 -4.726 -1.271) 6.145 4.304 ( 4.670 5.216 -3.309) 7.743 4.429 ( 1.108 3.162 -7.787) 8.477 4.805 ( 5.255 -1.753 -1.093) 5.646 5.305 ( -2.001 1.952 1.771) 3.309 5.555 ( 1.468 13.912 6.266) 15.328 6.708 ( -1.361 8.199 -2.673) 8.731 6.751 ( 10.605 -22.123 -15.808) 29.186 7.729 ( -7.548 5.388 3.603) 9.949 7.918 ( -8.493 3.481 -3.346) 9.770 8.115 ( -9.906 6.538 -2.228) 12.076 8.459 ( -1.130 10.515 -9.855) 14.456 9.642 ( 8.760 0.906 3.449) 9.459 10.523 ( 15.168 -20.247 37.880) 45.551 10.774 ( 9.308 -0.319 0.748) 9.343 11.986 ( -16.869 16.782 5.201) 24.357 12.144 ( 1.261 -0.527 23.373) 23.413 12.649 ( -3.534 14.757 -13.993) 20.641 13.190 ( 12.761 5.444 0.389) 13.880 14.809 ( -4.826 -2.966 -3.091) 6.453 15.082 ( 0.955 3.032 2.735) 4.194 15.923 ( -10.692 -9.121 -1.214) 14.106 17.196 ( 24.461 -13.981 -34.990) 44.923 18.763 ( -2.213 9.983 3.507) 10.810 19.483 ( -15.262 -1.277 2.194) 15.472 19.804 ( -9.622 6.426 0.605) 11.586 20.565 ( -15.909 -1.071 -13.203) 20.702 23.299 ( 20.563 -34.051 19.555) 44.324 24.080 ( -2.926 4.227 -0.551) 5.170 24.511 ( -0.177 5.206 6.026) 7.965 ======================= 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 7.23e-05 7.23e-05 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| 1.576 ( 22.208 5.484 7.763) 24.156 1.769 ( 22.404 11.407 1.222) 25.170 3.080 ( 1.166 0.878 0.836) 1.682 3.333 ( 14.617 -2.536 5.648) 15.874 3.466 ( 7.145 1.532 5.880) 9.379 3.558 ( -4.076 4.697 5.816) 8.515 3.901 ( 2.704 -2.521 2.987) 4.753 4.410 ( 7.004 5.230 -6.440) 10.858 4.467 ( 4.935 0.887 -4.931) 7.032 4.878 ( 2.199 -0.583 -4.785) 5.298 5.279 ( -1.230 1.265 3.787) 4.178 5.596 ( 0.845 13.005 5.912) 14.311 6.667 ( -1.972 5.461 -3.954) 7.025 6.793 ( -1.193 -9.436 -13.149) 16.228 7.572 ( -8.619 4.998 4.029) 10.748 7.772 ( -6.535 1.228 -0.389) 6.661 7.923 ( -8.193 11.891 -3.990) 14.982 8.399 ( -2.791 8.261 -5.022) 10.062 9.885 ( 14.234 -0.220 0.009) 14.236 10.789 ( 6.921 -4.814 11.048) 13.897 10.952 ( 6.540 -4.043 16.336) 18.055 11.724 ( -9.737 12.127 -0.316) 15.556 12.209 ( -0.199 10.673 21.620) 24.112 12.666 ( 6.396 -3.891 -17.597) 19.123 13.497 ( 17.730 1.318 3.087) 18.045 14.699 ( -5.654 -4.841 -2.242) 7.774 15.059 ( -4.927 4.090 1.111) 6.499 15.711 ( -9.248 -9.870 -0.776) 13.548 17.588 ( 22.135 -4.175 -24.333) 33.159 18.812 ( 3.951 3.686 12.353) 13.482 19.149 ( -17.801 -1.813 1.935) 17.997 19.574 ( -13.550 5.508 2.233) 14.796 20.237 ( -13.344 -1.679 -15.970) 20.879 23.551 ( 2.732 -15.558 11.628) 19.614 24.115 ( 6.950 -2.088 -0.940) 7.317 24.525 ( -0.041 0.982 4.266) 4.378 ======================= 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 7.23e-05 7.23e-05 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| 2.007 ( 18.957 5.934 8.218) 21.496 2.191 ( 19.848 8.935 -1.548) 21.821 2.895 ( -12.014 2.172 -4.219) 12.917 3.114 ( -17.418 -0.013 0.022) 17.418 3.577 ( 2.488 0.625 6.752) 7.222 3.884 ( -0.088 -5.788 1.565) 5.996 4.118 ( 27.770 -0.587 10.370) 29.649 4.534 ( 6.659 3.471 -11.611) 13.828 4.586 ( 5.963 0.827 3.419) 6.923 4.855 ( -3.128 0.856 -7.789) 8.437 5.272 ( -0.593 1.750 5.507) 5.809 5.598 ( -1.941 10.882 3.657) 11.643 6.617 ( -1.847 1.486 -4.014) 4.662 6.709 ( -3.592 -0.493 -7.215) 8.075 7.429 ( -5.928 6.265 1.867) 8.824 7.663 ( -4.233 0.274 1.454) 4.484 7.789 ( -4.431 17.083 -3.166) 17.931 8.342 ( -1.894 5.452 -2.233) 6.188 10.146 ( 10.924 1.598 -1.374) 11.125 10.877 ( 1.641 0.639 0.159) 1.768 11.093 ( 3.562 -2.091 16.504) 17.013 11.591 ( -3.782 3.158 -3.716) 6.171 12.235 ( -0.621 15.026 10.876) 18.559 12.765 ( 5.652 -8.557 -8.809) 13.519 13.889 ( 20.594 -3.167 3.976) 21.212 14.568 ( -8.125 -7.762 -1.608) 11.351 14.877 ( -11.698 6.173 -1.338) 13.294 15.596 ( -2.570 -8.479 0.334) 8.866 17.932 ( 15.973 3.974 -15.016) 22.281 18.857 ( -10.302 0.024 0.523) 10.315 18.920 ( 1.990 -0.249 14.249) 14.389 19.321 ( -10.719 2.313 1.914) 11.132 19.982 ( -8.721 -2.427 -12.662) 15.565 23.555 ( -2.015 -5.216 4.527) 7.195 24.287 ( 8.830 -4.948 0.012) 10.122 24.514 ( -2.175 -3.704 2.578) 5.010 ======================= 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 7.23e-05 7.23e-05 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| 2.265 ( 0.000 8.981 -0.000) 8.981 2.445 ( 0.000 6.169 0.000) 6.169 2.730 ( 0.000 3.409 0.000) 3.409 2.858 ( -0.000 -0.722 0.000) 0.722 3.615 ( 0.000 1.262 -0.000) 1.262 3.866 ( 0.000 -6.420 0.000) 6.420 4.528 ( 0.000 -6.513 0.000) 6.513 4.540 ( -0.000 0.211 -0.000) 0.211 4.664 ( 0.000 0.605 -0.000) 0.605 4.765 ( 0.000 5.077 -0.000) 5.077 5.276 ( 0.000 4.281 0.000) 4.281 5.567 ( 0.000 8.764 -0.000) 8.764 6.592 ( 0.000 0.291 0.000) 0.291 6.659 ( 0.000 2.326 -0.000) 2.326 7.369 ( 0.000 7.360 0.000) 7.360 7.622 ( 0.000 -0.045 -0.000) 0.045 7.740 ( 0.000 19.357 0.000) 19.357 8.320 ( 0.000 4.293 -0.000) 4.293 10.260 ( -0.000 3.565 0.000) 3.565 10.888 ( 0.000 -0.299 -0.000) 0.299 11.150 ( 0.000 0.984 0.000) 0.984 11.549 ( 0.000 -1.190 0.000) 1.190 12.241 ( 0.000 15.759 0.000) 15.759 12.815 ( 0.000 -9.080 0.000) 9.080 14.268 ( 0.000 -10.302 0.000) 10.302 14.329 ( -0.000 -4.783 -0.000) 4.783 14.738 ( 0.000 8.143 -0.000) 8.143 15.577 ( 0.000 -7.662 -0.000) 7.662 18.084 ( 0.000 7.767 0.000) 7.767 18.772 ( 0.000 5.639 0.000) 5.639 18.924 ( 0.000 -7.359 -0.000) 7.359 19.227 ( 0.000 1.450 -0.000) 1.450 19.872 ( 0.000 -2.950 -0.000) 2.950 23.536 ( 0.000 -2.967 -0.000) 2.967 24.413 ( 0.000 3.376 -0.000) 3.376 24.461 ( -0.000 -13.589 0.000) 13.589 ======================= 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 7.23e-05 7.23e-05 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| 1.021 ( 0.000 24.107 0.000) 24.107 1.145 ( 0.000 25.874 0.000) 25.874 1.871 ( 0.000 41.467 0.000) 41.467 3.096 ( 0.000 -7.632 0.000) 7.632 3.495 ( 0.000 6.780 0.000) 6.780 3.502 ( 0.000 -11.531 0.000) 11.531 4.193 ( 0.000 -2.015 0.000) 2.015 4.219 ( 0.000 6.152 0.000) 6.152 4.496 ( 0.000 5.407 0.000) 5.407 4.673 ( 0.000 4.839 0.000) 4.839 5.388 ( 0.000 -0.250 0.000) 0.250 5.539 ( 0.000 -1.075 0.000) 1.075 5.974 ( 0.000 15.768 0.000) 15.768 7.006 ( 0.000 13.918 0.000) 13.918 7.965 ( 0.000 7.102 0.000) 7.102 8.197 ( 0.000 -3.432 0.000) 3.432 8.551 ( 0.000 8.635 0.000) 8.635 8.635 ( 0.000 -4.751 0.000) 4.751 9.485 ( 0.000 11.919 0.000) 11.919 9.678 ( 0.000 5.322 0.000) 5.322 10.454 ( 0.000 -4.932 0.000) 4.932 11.651 ( 0.000 -21.029 0.000) 21.029 12.407 ( 0.000 7.739 0.000) 7.739 13.093 ( 0.000 7.392 0.000) 7.392 13.929 ( 0.000 -3.600 0.000) 3.600 14.915 ( 0.000 -4.322 0.000) 4.322 15.142 ( 0.000 4.043 0.000) 4.043 15.928 ( 0.000 -17.137 0.000) 17.137 16.111 ( 0.000 -2.947 0.000) 2.947 19.665 ( 0.000 -2.345 0.000) 2.345 19.918 ( 0.000 2.773 0.000) 2.773 20.115 ( 0.000 7.820 0.000) 7.820 21.000 ( 0.000 -0.903 0.000) 0.903 21.141 ( 0.000 -8.536 0.000) 8.536 24.285 ( 0.000 3.576 0.000) 3.576 24.599 ( 0.000 -0.988 0.000) 0.988 ======================= 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 7.23e-05 7.23e-05 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| 1.157 ( 9.590 22.991 5.971) 25.617 1.262 ( 12.818 21.049 4.936) 25.134 2.126 ( 23.638 32.580 1.321) 40.274 3.146 ( 3.696 -7.211 6.780) 10.565 3.483 ( -1.055 6.549 -1.671) 6.841 3.542 ( 4.376 -10.985 -2.114) 12.011 4.037 ( -10.477 0.478 3.567) 11.078 4.318 ( 6.247 5.702 -5.457) 10.065 4.558 ( 1.848 6.219 1.473) 6.653 4.684 ( 2.563 1.325 0.002) 2.885 5.377 ( -0.548 0.654 -0.254) 0.891 5.727 ( 10.237 0.247 3.446) 10.804 6.068 ( 12.358 4.059 -2.805) 13.307 6.981 ( -2.415 12.876 -0.505) 13.110 7.954 ( -1.034 7.452 -1.714) 7.717 8.131 ( -6.757 -0.518 2.539) 7.237 8.457 ( -8.528 7.553 5.874) 12.817 8.627 ( 2.648 3.825 -16.735) 17.369 9.631 ( -3.257 3.122 4.071) 6.077 9.778 ( 21.316 2.045 25.352) 33.185 10.568 ( 10.539 -2.744 -4.287) 11.704 11.721 ( 6.712 -20.117 2.532) 21.358 12.360 ( -4.597 8.194 -1.692) 9.546 13.143 ( 4.651 6.852 2.231) 8.577 13.613 ( -27.208 10.848 9.996) 30.950 14.867 ( -4.496 -2.995 -5.044) 7.391 15.113 ( -0.610 2.954 5.051) 5.883 15.851 ( -7.200 -15.812 -1.367) 17.428 16.410 ( 26.890 -9.569 -21.119) 35.505 19.258 ( -24.928 5.416 -12.987) 28.625 19.754 ( -9.202 3.517 -3.577) 10.480 20.094 ( -4.091 8.468 0.244) 9.408 20.856 ( -12.245 -1.168 -6.169) 13.761 21.832 ( 43.825 -24.711 25.905) 56.589 24.246 ( -3.619 3.974 -0.232) 5.380 24.586 ( -1.312 -0.068 2.198) 2.561 ======================= 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 7.23e-05 7.23e-05 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| 1.406 ( 15.224 17.862 3.727) 23.764 1.618 ( 19.743 15.119 5.605) 25.490 2.690 ( 29.554 15.512 4.989) 33.748 3.234 ( 2.294 -6.130 7.903) 10.262 3.447 ( -1.880 5.633 0.747) 5.985 3.669 ( 8.233 -8.215 -1.348) 11.709 3.831 ( -9.881 1.489 1.328) 10.081 4.425 ( 5.371 7.045 -6.808) 11.173 4.532 ( -2.682 5.449 2.501) 6.569 4.781 ( 6.057 -0.328 -3.149) 6.834 5.368 ( -0.346 3.421 0.277) 3.449 5.824 ( 0.901 8.862 5.428) 10.431 6.376 ( 15.390 -11.735 -8.508) 21.141 6.914 ( -4.131 10.572 -0.069) 11.350 7.909 ( -3.270 7.406 -2.689) 8.531 7.970 ( -9.733 6.478 6.845) 13.548 8.320 ( -5.577 12.410 0.611) 13.619 8.617 ( -1.479 4.850 -11.719) 12.769 9.650 ( 5.722 -0.559 2.610) 6.314 10.277 ( 20.782 -3.606 28.970) 35.835 10.786 ( 11.373 0.254 -4.705) 12.311 11.915 ( 11.628 -17.502 5.063) 21.614 12.212 ( -9.884 10.692 -3.071) 14.881 13.111 ( -20.882 20.966 10.800) 31.500 13.296 ( 8.506 4.016 -1.401) 9.510 14.737 ( -7.030 -3.950 -5.593) 9.814 15.145 ( 1.607 1.583 5.265) 5.728 15.659 ( -11.146 -14.585 -2.526) 18.529 16.940 ( 30.760 -9.508 -22.734) 39.413 18.912 ( -8.490 3.332 -3.395) 9.731 19.504 ( -15.825 3.743 0.790) 16.281 19.959 ( -9.809 8.093 1.200) 12.773 20.534 ( -16.860 -1.919 -12.341) 20.982 22.633 ( 30.557 -28.723 21.176) 46.981 24.161 ( -4.283 4.001 -1.510) 6.053 24.564 ( -1.486 0.291 2.747) 3.137 ======================= 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 7.23e-05 7.23e-05 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| 1.761 ( 19.380 11.526 2.918) 22.737 2.022 ( 19.768 12.387 2.891) 23.507 3.099 ( 2.755 0.586 1.132) 3.035 3.239 ( -3.174 -5.999 4.343) 8.058 3.502 ( 8.416 0.053 5.734) 10.184 3.654 ( -1.212 3.589 4.427) 5.827 3.889 ( 9.939 2.727 1.707) 10.447 4.442 ( 1.044 0.742 -8.420) 8.517 4.578 ( 5.178 6.607 3.692) 9.170 4.866 ( 2.949 -0.344 -6.680) 7.310 5.367 ( 0.210 6.382 0.744) 6.428 5.827 ( -1.855 7.196 5.049) 8.985 6.570 ( 6.831 -8.308 -12.579) 16.550 6.829 ( -4.223 7.900 1.916) 9.161 7.799 ( -7.621 3.501 3.315) 9.018 7.825 ( -5.567 16.644 3.732) 17.942 8.243 ( -2.121 17.902 -2.417) 18.189 8.517 ( -5.680 2.751 -6.785) 9.267 9.865 ( 14.650 -1.980 -0.535) 14.793 10.685 ( 14.073 -2.721 22.046) 26.296 10.963 ( 7.024 2.304 -0.831) 7.438 11.972 ( -11.805 12.555 -6.810) 18.530 12.181 ( 12.255 -12.459 9.917) 20.093 12.819 ( -10.294 16.278 0.900) 19.281 13.512 ( 12.537 -0.166 2.273) 12.743 14.570 ( -8.847 -7.750 -3.673) 12.322 15.159 ( -2.676 4.762 3.296) 6.379 15.443 ( -8.291 -14.279 -2.271) 16.667 17.500 ( 30.615 -3.739 -20.713) 37.152 18.857 ( 1.272 -0.759 5.606) 5.799 19.161 ( -18.079 4.226 2.418) 18.723 19.710 ( -15.772 7.178 3.785) 17.737 20.184 ( -14.636 -3.441 -15.125) 21.326 23.142 ( 17.409 -21.972 15.358) 31.964 24.089 ( -2.020 -0.420 -3.472) 4.039 24.538 ( -1.793 0.133 2.458) 3.046 ======================= 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 7.23e-05 7.23e-05 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| 2.161 ( 19.961 7.570 3.370) 21.612 2.393 ( 16.985 10.201 -0.544) 19.820 2.947 ( -13.095 1.306 1.120) 13.208 3.071 ( -12.274 -2.387 -1.283) 12.569 3.593 ( 3.320 -2.141 5.779) 7.000 3.765 ( 0.500 -2.986 0.461) 3.063 4.147 ( 15.723 3.368 9.569) 18.712 4.512 ( 6.120 -2.600 -7.516) 10.035 4.683 ( 4.059 5.488 3.260) 7.564 4.856 ( -1.803 -0.892 -8.374) 8.612 5.386 ( 1.658 8.391 1.282) 8.649 5.767 ( -5.030 3.996 3.130) 7.146 6.620 ( 2.212 0.279 -10.922) 11.148 6.766 ( -2.895 5.129 3.121) 6.665 7.685 ( -4.475 3.929 4.352) 7.376 7.738 ( -3.504 21.366 1.062) 21.678 8.218 ( -0.186 22.545 -1.974) 22.632 8.397 ( -4.535 -0.726 -3.356) 5.688 10.165 ( 14.237 -0.493 -1.433) 14.318 10.885 ( 2.269 -0.343 3.877) 4.505 11.093 ( 5.977 2.690 11.659) 13.375 11.745 ( -8.639 11.910 -7.555) 16.539 12.421 ( 8.835 -7.947 11.601) 16.607 12.674 ( -4.656 9.766 -6.249) 12.494 13.785 ( 14.099 -6.760 2.473) 15.831 14.371 ( -10.755 -11.247 -1.467) 15.631 15.031 ( -8.049 8.698 -1.095) 11.902 15.371 ( -0.363 -12.359 0.478) 12.374 18.022 ( 25.433 4.177 -17.802) 31.324 18.849 ( -10.074 0.090 2.702) 10.430 18.942 ( 0.855 1.732 12.653) 12.800 19.386 ( -16.034 4.073 2.384) 16.715 19.907 ( -9.920 -4.901 -11.811) 16.184 23.405 ( 6.970 -9.445 8.646) 14.579 24.073 ( 0.923 -12.749 -3.325) 13.207 24.506 ( -1.766 1.558 1.579) 2.836 ======================= 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 7.23e-05 7.23e-05 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| 2.520 ( 0.000 0.548 0.000) 0.548 2.525 ( 0.000 15.528 0.000) 15.528 2.783 ( 0.000 -6.586 0.000) 6.586 2.856 ( -0.000 7.915 -0.000) 7.915 3.689 ( -0.000 5.584 -0.000) 5.584 3.695 ( 0.000 -9.799 0.000) 9.799 4.383 ( 0.000 -7.095 0.000) 7.095 4.541 ( 0.000 1.936 -0.000) 1.936 4.737 ( 0.000 4.571 -0.000) 4.571 4.811 ( 0.000 -1.433 -0.000) 1.433 5.419 ( 0.000 9.199 0.000) 9.199 5.697 ( 0.000 2.596 -0.000) 2.596 6.632 ( 0.000 4.160 0.000) 4.160 6.735 ( 0.000 4.390 0.000) 4.390 7.646 ( 0.000 2.255 -0.000) 2.255 7.703 ( 0.000 25.166 0.000) 25.166 8.216 ( 0.000 25.080 0.000) 25.080 8.345 ( 0.000 -3.186 -0.000) 3.186 10.328 ( -0.000 1.689 0.000) 1.689 10.881 ( 0.000 -0.359 -0.000) 0.359 11.188 ( 0.000 2.845 0.000) 2.845 11.639 ( -0.000 10.429 0.000) 10.429 12.564 ( 0.000 -14.265 0.000) 14.265 12.583 ( 0.000 15.760 -0.000) 15.760 14.003 ( 0.000 -14.980 -0.000) 14.980 14.192 ( -0.000 -8.131 0.000) 8.131 14.938 ( 0.000 10.904 -0.000) 10.904 15.373 ( 0.000 -11.310 -0.000) 11.310 18.297 ( 0.000 12.235 0.000) 12.235 18.767 ( -0.000 -7.037 0.000) 7.037 18.930 ( 0.000 8.957 -0.000) 8.957 19.218 ( 0.000 -2.403 -0.000) 2.403 19.782 ( 0.000 -5.605 -0.000) 5.605 23.479 ( 0.000 -2.079 -0.000) 2.079 24.085 ( 0.000 -21.407 0.000) 21.407 24.487 ( 0.000 3.348 0.000) 3.348 ======================= 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 7.23e-05 7.23e-05 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| 1.500 ( 0.000 21.751 0.000) 21.751 1.644 ( 0.000 21.772 0.000) 21.772 2.635 ( 0.000 31.029 0.000) 31.029 2.907 ( 0.000 -10.202 0.000) 10.202 3.209 ( 0.000 -15.895 0.000) 15.895 3.645 ( 0.000 7.830 0.000) 7.830 4.141 ( 0.000 -3.100 0.000) 3.100 4.383 ( 0.000 8.668 0.000) 8.668 4.601 ( 0.000 4.262 0.000) 4.262 4.757 ( 0.000 2.961 0.000) 2.961 5.333 ( 0.000 -4.948 0.000) 4.948 5.494 ( 0.000 -2.608 0.000) 2.608 6.249 ( 0.000 9.773 0.000) 9.773 7.278 ( 0.000 11.992 0.000) 11.992 8.124 ( 0.000 6.941 0.000) 6.941 8.131 ( 0.000 -4.283 0.000) 4.283 8.555 ( 0.000 -1.855 0.000) 1.855 8.785 ( 0.000 14.513 0.000) 14.513 9.770 ( 0.000 3.322 0.000) 3.322 9.793 ( 0.000 16.563 0.000) 16.563 10.310 ( 0.000 -8.425 0.000) 8.425 11.198 ( 0.000 -22.186 0.000) 22.186 12.629 ( 0.000 13.253 0.000) 13.253 13.216 ( 0.000 4.446 0.000) 4.446 13.877 ( 0.000 -1.386 0.000) 1.386 14.824 ( 0.000 -4.078 0.000) 4.078 15.056 ( 0.000 -13.932 0.000) 13.932 15.679 ( 0.000 -4.362 0.000) 4.362 16.051 ( 0.000 -2.639 0.000) 2.639 19.625 ( 0.000 -1.485 0.000) 1.485 19.967 ( 0.000 1.897 0.000) 1.897 20.293 ( 0.000 9.154 0.000) 9.154 20.948 ( 0.000 -9.784 0.000) 9.784 20.982 ( 0.000 -0.832 0.000) 0.832 24.363 ( 0.000 3.845 0.000) 3.845 24.570 ( 0.000 -1.826 0.000) 1.826 ======================= 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 7.23e-05 7.23e-05 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| 1.616 ( 10.120 20.686 4.260) 23.419 1.693 ( 4.960 19.944 1.780) 20.628 2.730 ( 9.031 22.697 0.736) 24.439 2.975 ( 5.305 -8.173 5.637) 11.257 3.258 ( 5.398 -14.455 -3.178) 15.754 3.648 ( 0.722 8.552 -0.986) 8.639 4.027 ( -9.498 -0.930 1.787) 9.709 4.462 ( 6.456 7.230 -2.375) 9.980 4.665 ( 5.505 3.616 -2.027) 6.891 4.721 ( -3.699 1.771 2.233) 4.669 5.357 ( 2.808 -2.356 -0.957) 3.788 5.626 ( 10.842 -6.137 2.562) 12.719 6.253 ( 0.883 8.375 -0.933) 8.473 7.232 ( -4.625 11.054 1.838) 12.123 8.056 ( -3.428 1.505 -6.894) 7.845 8.163 ( -0.119 1.146 7.339) 7.429 8.568 ( 0.311 4.969 7.661) 9.137 8.798 ( 1.410 13.667 -7.656) 15.729 9.663 ( -7.232 -0.094 2.946) 7.809 9.948 ( 13.240 11.665 12.541) 21.648 10.484 ( 14.737 -4.685 -5.523) 16.420 11.283 ( 8.326 -21.535 1.132) 23.116 12.592 ( -3.450 13.699 -1.985) 14.266 13.254 ( 3.619 3.664 0.184) 5.153 13.735 ( -13.892 3.306 7.098) 15.947 14.792 ( -4.017 -4.221 -3.899) 7.011 15.023 ( -2.043 -13.437 3.929) 14.148 15.612 ( -5.358 -4.013 -0.979) 6.766 16.284 ( 22.429 -3.732 -12.098) 25.756 19.299 ( -23.276 -0.015 -6.493) 24.165 19.832 ( -7.574 3.467 -8.931) 12.212 20.278 ( -4.707 8.912 1.703) 10.221 20.834 ( -12.709 -0.928 -5.881) 14.034 21.429 ( 34.013 -15.464 20.110) 42.431 24.334 ( -2.925 4.385 -0.192) 5.275 24.560 ( -0.962 -2.155 0.721) 2.468 ======================= 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 7.23e-05 7.23e-05 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| 1.801 ( 8.939 19.020 -0.234) 21.017 1.924 ( 15.843 14.206 6.917) 22.375 2.947 ( 10.843 6.491 2.122) 12.814 3.086 ( 3.629 -6.886 6.019) 9.839 3.383 ( 5.760 -9.401 -2.304) 11.263 3.691 ( 2.915 5.592 1.772) 6.551 3.857 ( -4.223 4.749 0.720) 6.395 4.587 ( 6.350 6.057 -1.956) 8.991 4.609 ( -7.163 2.866 3.082) 8.308 4.790 ( 6.601 1.188 -6.542) 9.369 5.428 ( 4.065 2.256 -0.264) 4.657 5.822 ( 6.008 -6.883 2.853) 9.571 6.311 ( 6.412 2.709 -3.760) 7.911 7.121 ( -6.752 9.195 2.794) 11.745 7.961 ( -5.041 1.951 -2.866) 6.118 8.165 ( -1.390 3.582 10.275) 10.970 8.590 ( 0.264 13.990 3.900) 14.526 8.768 ( -3.020 12.666 -9.029) 15.845 9.614 ( 3.267 -3.199 0.746) 4.633 10.304 ( 17.301 3.650 18.632) 25.686 10.774 ( 14.921 -0.492 -5.474) 15.901 11.520 ( 14.699 -19.444 2.479) 24.500 12.485 ( -6.764 15.309 -4.037) 17.216 13.330 ( 0.042 -0.797 -3.009) 3.113 13.450 ( -11.494 12.738 12.338) 21.133 14.624 ( -11.396 -8.299 -4.497) 14.797 15.033 ( 1.602 -12.037 4.422) 12.923 15.486 ( -6.729 -0.239 -2.218) 7.089 16.804 ( 32.413 -4.051 -16.931) 36.792 18.919 ( -12.473 -1.454 -3.004) 12.912 19.616 ( -13.097 6.063 -4.526) 15.126 20.121 ( -11.395 7.195 3.067) 13.821 20.490 ( -18.688 -2.153 -11.207) 21.897 22.134 ( 30.906 -19.215 19.230) 41.161 24.247 ( -5.772 4.215 -1.640) 7.333 24.541 ( -1.030 -2.125 1.385) 2.738 ======================= 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 7.23e-05 7.23e-05 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| 2.016 ( 12.876 12.378 -1.180) 17.900 2.265 ( 16.422 10.434 5.809) 20.305 3.054 ( -2.281 -5.335 3.321) 6.685 3.155 ( 1.973 -1.467 -2.177) 3.284 3.436 ( 0.500 -4.345 6.581) 7.902 3.671 ( 0.266 -2.729 0.940) 2.898 4.028 ( 14.589 9.607 3.712) 17.858 4.472 ( -6.383 1.430 3.870) 7.601 4.697 ( 5.211 4.926 -2.786) 7.693 4.869 ( 2.706 0.715 -10.624) 10.987 5.503 ( 3.410 6.061 0.034) 6.955 5.852 ( -2.709 -3.882 3.000) 5.605 6.479 ( 10.641 -0.868 -7.054) 12.796 6.993 ( -6.597 7.567 3.200) 10.536 7.850 ( -5.779 2.876 0.698) 6.492 8.162 ( -1.396 5.523 12.274) 13.531 8.566 ( -4.403 17.310 -3.502) 18.201 8.684 ( -1.247 16.041 -5.323) 16.947 9.792 ( 13.757 -5.613 -1.201) 14.907 10.648 ( 12.644 -3.122 13.679) 18.887 11.027 ( 11.070 5.011 0.598) 12.166 11.836 ( 15.616 -16.422 1.518) 22.713 12.312 ( -9.279 17.702 -4.390) 20.463 13.104 ( -13.270 8.086 4.040) 16.056 13.511 ( 6.367 1.912 3.274) 7.410 14.358 ( -13.862 -13.335 -2.063) 19.346 15.083 ( 2.232 -11.178 2.883) 11.758 15.346 ( -6.753 5.068 -2.519) 8.811 17.446 ( 35.783 -1.491 -18.490) 40.305 18.793 ( -1.121 -4.238 3.146) 5.396 19.309 ( -16.392 8.849 -2.022) 18.738 19.848 ( -17.305 5.427 5.905) 19.073 20.099 ( -17.138 -4.413 -12.694) 21.779 22.713 ( 24.044 -18.065 15.180) 33.688 24.094 ( -9.255 0.661 -3.918) 10.072 24.532 ( -0.197 -0.592 1.516) 1.639 ======================= 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 7.23e-05 7.23e-05 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| 2.286 ( 14.291 4.776 -2.117) 15.216 2.564 ( 11.100 3.142 5.851) 12.935 2.932 ( -8.073 1.990 -1.116) 8.389 3.102 ( -5.636 3.324 -1.541) 6.723 3.466 ( 1.323 -6.744 4.756) 8.357 3.749 ( 4.236 -2.161 1.281) 4.925 4.238 ( 2.906 4.984 8.166) 9.999 4.475 ( 7.850 -0.976 2.911) 8.429 4.766 ( 1.520 2.025 -2.595) 3.625 4.842 ( -2.009 0.508 -12.029) 12.206 5.564 ( 2.987 7.618 -0.035) 8.183 5.768 ( -5.654 -2.651 2.403) 6.691 6.661 ( 8.971 3.164 -7.535) 12.135 6.885 ( -5.051 6.275 3.707) 8.867 7.748 ( -4.409 3.287 1.758) 5.773 8.170 ( -0.361 -0.472 10.649) 10.666 8.435 ( -5.661 24.591 -7.072) 26.206 8.692 ( 1.481 19.994 -1.784) 20.128 10.089 ( 14.623 -8.104 -1.061) 16.752 10.838 ( 4.669 -4.391 2.126) 6.753 11.207 ( 5.749 8.095 9.302) 13.606 12.033 ( -0.356 7.359 -13.042) 14.979 12.192 ( 2.732 -1.718 8.992) 9.553 12.906 ( -7.260 7.572 2.172) 10.713 13.628 ( 4.390 -7.358 -0.043) 8.568 14.112 ( -9.755 -13.238 0.931) 16.471 15.125 ( 1.518 -10.469 0.595) 10.595 15.222 ( -4.854 9.046 -1.157) 10.332 18.092 ( 32.970 2.629 -18.412) 37.854 18.835 ( 0.710 -2.427 4.831) 5.453 19.019 ( -9.964 6.722 5.412) 13.182 19.478 ( -20.652 3.889 5.036) 21.610 19.787 ( -11.283 -6.093 -9.493) 15.955 23.164 ( 18.876 -12.886 11.369) 25.526 23.866 ( -12.425 -6.324 -6.073) 15.207 24.537 ( 0.240 1.128 0.924) 1.478 ======================= 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 7.23e-05 7.23e-05 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| 2.500 ( 0.000 -1.650 -0.000) 1.650 2.621 ( -0.000 -7.812 0.000) 7.812 2.876 ( 0.000 17.464 0.000) 17.464 3.000 ( 0.000 5.003 0.000) 5.003 3.491 ( 0.000 -8.746 -0.000) 8.746 3.786 ( 0.000 1.558 -0.000) 1.558 4.271 ( 0.000 -2.104 0.000) 2.104 4.631 ( -0.000 6.025 -0.000) 6.025 4.711 ( 0.000 -7.601 0.000) 7.601 4.817 ( 0.000 2.743 -0.000) 2.743 5.613 ( -0.000 8.476 0.000) 8.476 5.688 ( 0.000 -2.495 -0.000) 2.495 6.773 ( 0.000 9.118 -0.000) 9.118 6.813 ( -0.000 2.828 0.000) 2.828 7.703 ( 0.000 3.001 -0.000) 3.001 8.185 ( 0.000 -11.334 -0.000) 11.334 8.361 ( 0.000 36.108 0.000) 36.108 8.707 ( 0.000 20.940 0.000) 20.940 10.258 ( 0.000 -10.288 0.000) 10.288 10.872 ( 0.000 -0.500 -0.000) 0.500 11.279 ( 0.000 6.217 0.000) 6.217 11.965 ( -0.000 20.086 0.000) 20.086 12.275 ( 0.000 -12.552 -0.000) 12.552 12.835 ( 0.000 7.113 0.000) 7.113 13.669 ( 0.000 -16.205 -0.000) 16.205 14.014 ( 0.000 -8.304 0.000) 8.304 15.143 ( 0.000 -10.115 -0.000) 10.115 15.168 ( -0.000 10.538 0.000) 10.538 18.572 ( -0.000 13.937 0.000) 13.937 18.654 ( 0.000 -3.583 -0.000) 3.583 19.101 ( -0.000 6.198 -0.000) 6.198 19.135 ( 0.000 -5.102 0.000) 5.102 19.654 ( 0.000 -6.116 -0.000) 6.116 23.457 ( -0.000 -0.108 -0.000) 0.108 23.641 ( 0.000 -19.780 0.000) 19.780 24.541 ( 0.000 1.784 0.000) 1.784 ======================= 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 7.23e-05 7.23e-05 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| 1.886 ( 0.000 13.759 0.000) 13.759 1.992 ( 0.000 9.229 0.000) 9.229 2.725 ( 0.000 -4.830 0.000) 4.830 2.893 ( 0.000 -12.481 0.000) 12.481 3.086 ( 0.000 11.271 0.000) 11.271 3.821 ( 0.000 8.316 0.000) 8.316 4.057 ( 0.000 -4.894 0.000) 4.894 4.537 ( 0.000 5.143 0.000) 5.143 4.653 ( 0.000 0.551 0.000) 0.551 4.794 ( 0.000 0.774 0.000) 0.774 5.222 ( 0.000 -4.069 0.000) 4.069 5.449 ( 0.000 -1.342 0.000) 1.342 6.374 ( 0.000 2.721 0.000) 2.721 7.490 ( 0.000 7.301 0.000) 7.301 8.005 ( 0.000 -5.929 0.000) 5.929 8.218 ( 0.000 2.133 0.000) 2.133 8.559 ( 0.000 1.066 0.000) 1.066 9.104 ( 0.000 12.627 0.000) 12.627 9.814 ( 0.000 1.024 0.000) 1.024 9.960 ( 0.000 -4.792 0.000) 4.792 10.310 ( 0.000 14.184 0.000) 14.184 10.754 ( 0.000 -19.942 0.000) 19.942 12.888 ( 0.000 8.871 0.000) 8.871 13.277 ( 0.000 1.460 0.000) 1.460 13.867 ( 0.000 0.202 0.000) 0.202 14.728 ( 0.000 -11.997 0.000) 11.997 14.761 ( 0.000 -1.693 0.000) 1.693 15.669 ( 0.000 0.816 0.000) 0.816 16.011 ( 0.000 -1.054 0.000) 1.054 19.605 ( 0.000 -0.506 0.000) 0.506 19.994 ( 0.000 0.680 0.000) 0.680 20.478 ( 0.000 7.821 0.000) 7.821 20.754 ( 0.000 -8.063 0.000) 8.063 20.969 ( 0.000 -0.339 0.000) 0.339 24.437 ( 0.000 2.863 0.000) 2.863 24.526 ( 0.000 -2.125 0.000) 2.125 ======================= 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 7.23e-05 7.23e-05 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| 1.966 ( 6.882 11.146 4.120) 13.733 2.038 ( 4.804 11.137 -1.645) 12.240 2.779 ( 4.388 -4.786 6.210) 8.984 2.894 ( 0.470 -9.650 5.154) 10.950 3.172 ( 8.330 6.457 -9.511) 14.197 3.791 ( -3.539 3.645 -0.122) 5.082 4.034 ( -1.379 1.843 3.626) 4.295 4.574 ( 2.533 2.809 -1.565) 4.093 4.682 ( 2.295 -0.951 -2.335) 3.409 4.763 ( -0.806 1.657 0.429) 1.892 5.308 ( 7.306 -1.644 0.538) 7.508 5.524 ( 6.784 -2.980 1.596) 7.580 6.363 ( -0.793 2.423 -1.000) 2.738 7.422 ( -6.502 6.226 2.397) 9.316 8.023 ( 1.122 -3.520 3.653) 5.196 8.156 ( -3.898 -0.089 -5.438) 6.692 8.671 ( 7.122 3.227 11.832) 14.182 9.131 ( 2.322 14.900 -1.668) 15.172 9.601 ( -11.840 -5.671 1.651) 13.232 10.122 ( 9.627 2.060 -1.115) 9.907 10.498 ( 16.157 9.744 0.678) 18.880 10.857 ( 10.278 -18.797 1.353) 21.466 12.861 ( -2.395 9.374 -2.416) 9.972 13.290 ( 1.012 0.092 -1.345) 1.686 13.797 ( -7.064 2.596 6.250) 9.783 14.629 ( -9.030 -10.576 -1.502) 13.987 14.793 ( 2.286 -3.510 1.608) 4.487 15.608 ( -4.299 0.956 0.224) 4.410 16.236 ( 21.454 -1.126 -9.765) 23.598 19.291 ( -23.372 -0.352 -3.650) 23.658 19.883 ( -5.674 1.311 -11.287) 12.701 20.432 ( -6.776 4.809 3.245) 8.920 20.822 ( -13.202 -0.191 -7.168) 15.024 21.189 ( 31.337 -6.866 18.195) 36.881 24.423 ( -1.949 4.101 0.030) 4.540 24.502 ( -1.792 -3.348 0.064) 3.798 ======================= 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 7.23e-05 7.23e-05 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| 2.111 ( 6.045 8.463 3.556) 10.991 2.193 ( 10.901 10.391 -0.671) 15.075 2.900 ( 4.993 -4.550 7.393) 10.014 2.958 ( 5.008 -7.250 5.666) 10.476 3.316 ( 7.638 1.926 -10.274) 12.946 3.677 ( -7.292 -2.709 1.308) 7.888 4.072 ( 4.328 9.671 6.419) 12.388 4.558 ( -4.518 -3.600 5.595) 8.042 4.718 ( 3.483 3.020 -5.168) 6.925 4.827 ( 5.828 1.772 -8.248) 10.254 5.467 ( 7.950 1.509 0.853) 8.136 5.677 ( 6.733 -5.105 1.688) 8.617 6.364 ( 2.311 1.438 -2.020) 3.389 7.274 ( -8.465 4.682 3.028) 10.136 8.012 ( -3.908 3.130 0.470) 5.029 8.107 ( -0.618 -5.592 6.392) 8.515 8.818 ( 4.993 5.783 7.426) 10.654 9.141 ( -1.329 20.518 -2.719) 20.740 9.482 ( 0.726 -10.865 -0.231) 10.892 10.324 ( 10.633 -1.727 1.850) 10.930 10.855 ( 18.555 9.458 2.317) 20.955 11.148 ( 17.649 -15.960 3.320) 24.026 12.785 ( -4.369 10.900 -4.674) 12.640 13.269 ( -4.218 -3.881 -3.175) 6.553 13.678 ( -4.925 8.562 10.266) 14.246 14.375 ( -16.002 -12.055 -1.202) 20.070 14.853 ( 3.214 -3.787 1.540) 5.200 15.526 ( -4.023 1.780 -0.947) 4.500 16.754 ( 33.044 -1.063 -14.920) 36.272 18.888 ( -14.805 -1.013 -1.843) 14.954 19.716 ( -9.347 2.851 -8.656) 13.054 20.234 ( -14.097 3.078 4.194) 15.027 20.455 ( -20.462 -1.010 -9.360) 22.524 21.855 ( 30.345 -7.198 17.195) 35.613 24.324 ( -7.986 2.669 -1.947) 8.642 24.492 ( 0.655 -2.020 1.215) 2.447 ======================= 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 7.23e-05 7.23e-05 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| 2.243 ( 6.988 8.448 1.329) 11.044 2.400 ( 8.706 1.466 1.293) 8.922 2.987 ( 3.195 0.762 3.008) 4.454 3.082 ( 4.913 -5.749 1.170) 7.652 3.418 ( 3.500 2.950 0.199) 4.582 3.565 ( -2.358 -6.056 1.671) 6.710 4.215 ( 7.640 6.544 7.024) 12.269 4.471 ( -5.277 -1.344 9.584) 11.022 4.774 ( 3.025 2.060 -7.830) 8.644 4.891 ( 2.524 1.007 -13.520) 13.790 5.605 ( 5.553 3.717 0.683) 6.717 5.744 ( -0.583 -4.834 1.743) 5.172 6.484 ( 10.551 0.497 -3.222) 11.043 7.121 ( -7.313 3.972 2.573) 8.711 7.921 ( -4.976 3.899 1.895) 6.600 8.081 ( -4.624 -6.824 8.619) 11.926 8.903 ( 2.543 7.511 3.352) 8.609 9.123 ( 1.381 26.273 -3.482) 26.539 9.587 ( 8.562 -15.601 -0.749) 17.811 10.539 ( 10.738 -4.956 0.807) 11.854 11.198 ( 13.868 10.242 6.976) 18.598 11.525 ( 18.946 -12.849 3.175) 23.111 12.671 ( -5.925 14.164 -6.209) 16.561 13.099 ( -11.047 -5.880 -1.372) 12.589 13.662 ( -0.790 11.387 6.832) 13.303 14.034 ( -16.375 -15.941 0.552) 22.860 14.919 ( 2.964 -3.940 1.276) 5.093 15.443 ( -4.074 2.921 -1.423) 5.211 17.431 ( 38.216 -0.182 -17.644) 42.093 18.721 ( -2.593 -2.113 2.924) 4.442 19.476 ( -12.852 5.702 -7.879) 16.117 19.895 ( -20.229 -0.942 0.338) 20.254 20.041 ( -19.154 -0.495 -1.652) 19.231 22.444 ( 25.862 -7.064 13.900) 30.199 24.108 ( -13.117 0.492 -3.961) 13.711 24.520 ( 1.582 -0.415 1.227) 2.044 ======================= 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 7.23e-05 7.23e-05 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| 2.383 ( 6.567 4.874 -0.410) 8.188 2.507 ( 1.505 -5.509 3.064) 6.481 3.043 ( 1.699 4.293 -1.368) 4.815 3.148 ( 3.540 1.025 -4.615) 5.906 3.411 ( -3.520 2.077 8.457) 9.393 3.641 ( 6.482 -6.633 0.893) 9.317 4.338 ( 0.716 4.116 6.790) 7.973 4.447 ( 2.866 -2.025 9.930) 10.532 4.786 ( -0.219 0.615 -8.677) 8.702 4.868 ( -0.919 0.992 -12.715) 12.787 5.661 ( -1.140 1.044 0.658) 1.680 5.722 ( 0.467 -0.290 1.415) 1.518 6.715 ( 11.716 1.439 -3.452) 12.299 7.009 ( -4.496 4.364 1.664) 6.483 7.829 ( -4.818 5.042 2.735) 7.492 7.986 ( -5.153 -10.008 4.656) 12.182 8.939 ( 0.785 9.418 1.399) 9.554 9.166 ( 2.579 32.021 -1.751) 32.173 9.771 ( 8.839 -23.263 -0.714) 24.896 10.746 ( 9.901 -2.943 -1.499) 10.438 11.394 ( 3.834 7.925 8.794) 12.443 11.880 ( 15.746 -8.131 0.897) 17.744 12.526 ( -7.274 19.298 -4.352) 21.078 12.890 ( -8.543 -9.520 -0.786) 12.815 13.547 ( -10.681 -0.083 -0.178) 10.683 13.871 ( -0.839 -8.082 4.239) 9.165 14.969 ( 1.768 -4.067 0.718) 4.493 15.367 ( -3.018 3.998 -1.123) 5.134 18.134 ( 35.846 1.231 -17.996) 40.129 18.774 ( 5.952 -2.264 6.519) 9.113 19.192 ( -13.825 8.032 -5.160) 16.801 19.477 ( -22.521 -4.232 5.784) 23.634 19.709 ( -12.964 -0.715 -2.033) 13.142 22.947 ( 22.573 -6.270 10.852) 25.819 23.796 ( -17.160 -1.282 -6.096) 18.255 24.550 ( 1.134 0.276 0.694) 1.358 ======================= 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 7.23e-05 7.23e-05 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| 2.472 ( 0.000 -0.740 -0.000) 0.740 2.499 ( -0.000 -3.306 0.000) 3.306 3.050 ( 0.000 0.362 0.000) 0.362 3.197 ( 0.000 11.331 0.000) 11.331 3.374 ( 0.000 -2.415 0.000) 2.415 3.718 ( 0.000 -5.783 -0.000) 5.783 4.336 ( 0.000 7.356 0.000) 7.356 4.525 ( 0.000 -9.645 -0.000) 9.645 4.750 ( 0.000 4.338 0.000) 4.338 4.841 ( 0.000 -0.301 -0.000) 0.301 5.635 ( 0.000 -1.745 -0.000) 1.745 5.738 ( 0.000 3.185 0.000) 3.185 6.850 ( 0.000 0.878 -0.000) 0.878 6.958 ( 0.000 6.528 0.000) 6.528 7.772 ( 0.000 4.138 0.000) 4.138 7.938 ( 0.000 -10.589 -0.000) 10.589 8.948 ( 0.000 10.553 -0.000) 10.553 9.192 ( 0.000 33.225 0.000) 33.225 9.868 ( 0.000 -26.662 0.000) 26.662 10.863 ( 0.000 -0.260 0.000) 0.260 11.424 ( 0.000 5.847 0.000) 5.847 12.074 ( 0.000 -6.131 -0.000) 6.131 12.416 ( -0.000 22.145 0.000) 22.145 12.799 ( 0.000 -11.917 -0.000) 11.917 13.419 ( 0.000 -5.924 -0.000) 5.924 13.883 ( 0.000 -3.634 0.000) 3.634 14.988 ( 0.000 -4.164 0.000) 4.164 15.333 ( 0.000 4.510 0.000) 4.510 18.617 ( -0.000 -0.442 0.000) 0.442 18.845 ( 0.000 11.101 0.000) 11.101 19.040 ( -0.000 -3.083 -0.000) 3.083 19.124 ( 0.000 -3.956 -0.000) 3.956 19.572 ( 0.000 -1.352 0.000) 1.352 23.337 ( 0.000 -8.186 0.000) 8.186 23.463 ( 0.000 0.322 0.000) 0.322 24.563 ( 0.000 0.467 0.000) 0.467 ======================= 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 7.23e-05 7.23e-05 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| 0.480 ( -2.046 0.000 24.867) 24.951 0.578 ( 12.528 0.000 29.635) 32.174 1.120 ( 6.685 0.000 57.260) 57.649 3.299 ( -0.611 0.000 -2.385) 2.462 3.317 ( 6.373 0.000 5.864) 8.660 3.635 ( 3.413 0.000 -4.636) 5.757 3.965 ( -0.288 0.000 -8.253) 8.258 4.263 ( -1.961 0.000 -5.410) 5.755 4.518 ( -8.539 0.000 11.827) 14.588 4.861 ( 24.871 0.000 2.577) 25.005 5.389 ( 2.235 0.000 5.550) 5.983 5.406 ( 3.947 0.000 7.656) 8.613 5.754 ( -22.607 0.000 4.267) 23.006 6.734 ( -2.623 0.000 8.864) 9.244 7.680 ( 0.764 0.000 -8.307) 8.342 7.805 ( -0.695 0.000 -0.669) 0.965 8.370 ( -3.703 0.000 0.394) 3.724 8.497 ( -0.068 0.000 14.844) 14.844 9.404 ( 6.140 0.000 -5.483) 8.232 10.549 ( 79.251 0.000 0.136) 79.251 10.577 ( -3.608 0.000 3.735) 5.193 11.333 ( -0.116 0.000 -9.287) 9.287 12.192 ( 4.893 0.000 -8.321) 9.653 12.751 ( 1.652 0.000 -5.186) 5.443 13.938 ( 44.161 0.000 3.703) 44.316 14.958 ( -0.190 0.000 2.845) 2.851 15.020 ( 0.298 0.000 0.145) 0.332 16.112 ( 0.848 0.000 -10.934) 10.966 18.196 (-211.246 0.000 -0.137) 211.246 18.512 ( 7.130 0.000 0.478) 7.146 19.792 ( 0.420 0.000 0.661) 0.782 19.933 ( -0.612 0.000 0.129) 0.625 21.073 ( -8.177 0.000 5.121) 9.649 22.214 ( 150.173 0.000 -2.157) 150.189 23.639 ( 2.115 0.000 1.120) 2.394 24.182 ( -0.810 0.000 -1.684) 1.869 ======================= 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 7.23e-05 7.23e-05 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| 0.753 ( 19.985 0.000 16.833) 26.129 1.042 ( 20.438 0.000 26.892) 33.777 1.725 ( 38.740 0.000 40.929) 56.356 3.287 ( -0.762 0.000 -2.189) 2.318 3.470 ( 6.342 0.000 8.087) 10.277 3.727 ( 6.879 0.000 0.947) 6.944 3.914 ( -3.051 0.000 -9.562) 10.037 4.193 ( -2.330 0.000 -3.022) 3.816 4.363 ( -8.674 0.000 6.395) 10.777 4.856 ( -4.788 0.000 3.588) 5.983 5.438 ( 1.122 0.000 7.176) 7.263 5.446 ( 0.430 0.000 9.563) 9.573 6.287 ( 28.812 0.000 -26.493) 39.141 6.708 ( -1.372 0.000 6.068) 6.221 7.699 ( 2.668 0.000 -8.635) 9.038 7.765 ( -3.067 0.000 -1.262) 3.316 8.231 ( -9.448 0.000 -1.904) 9.638 8.496 ( -3.274 0.000 17.487) 17.791 9.536 ( 7.159 0.000 -0.260) 7.163 10.571 ( 2.504 0.000 0.503) 2.554 11.317 ( 1.086 0.000 -10.866) 10.920 11.587 ( 31.893 0.000 -27.072) 41.834 12.158 ( -5.966 0.000 -4.974) 7.768 12.856 ( 9.993 0.000 -3.891) 10.723 13.773 ( -61.451 0.000 61.880) 87.209 14.900 ( -3.106 0.000 0.227) 3.114 15.034 ( 0.972 0.000 -0.007) 0.972 16.056 ( -3.954 0.000 -10.515) 11.234 16.262 ( 6.109 0.000 1.756) 6.356 18.679 ( 8.717 0.000 7.659) 11.604 19.732 ( -6.630 0.000 0.746) 6.672 19.882 ( -4.992 0.000 0.149) 4.994 20.795 ( -19.208 0.000 -2.197) 19.334 23.763 ( 9.264 0.000 2.743) 9.661 23.936 ( 33.556 0.000 -30.763) 45.523 24.138 ( 0.232 0.000 -5.954) 5.959 ======================= 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 7.23e-05 7.23e-05 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 ( 23.768 0.000 11.581) 26.440 1.482 ( 18.520 0.000 25.324) 31.374 2.646 ( 44.470 0.000 24.308) 50.680 3.232 ( -5.020 0.000 -1.358) 5.200 3.570 ( 2.486 0.000 3.441) 4.246 3.743 ( -9.475 0.000 -3.926) 10.256 3.953 ( 9.491 0.000 9.742) 13.601 4.179 ( 2.093 0.000 -4.729) 5.171 4.232 ( -3.605 0.000 -3.545) 5.056 4.824 ( -0.041 0.000 0.042) 0.059 5.466 ( 0.203 0.000 7.038) 7.041 5.485 ( 1.091 0.000 10.829) 10.884 6.524 ( 4.231 0.000 -12.623) 13.313 6.714 ( 0.667 0.000 -3.380) 3.445 7.684 ( -4.878 0.000 -0.040) 4.878 7.717 ( 0.320 0.000 -8.479) 8.485 8.018 ( -11.075 0.000 -1.134) 11.133 8.463 ( -3.954 0.000 18.886) 19.296 9.691 ( 8.782 0.000 2.290) 9.075 10.658 ( 5.737 0.000 -2.141) 6.123 11.335 ( 3.356 0.000 -11.910) 12.374 11.828 ( -7.673 0.000 5.250) 9.297 12.078 ( 7.506 0.000 -20.759) 22.074 13.004 ( -28.037 0.000 60.681) 66.845 13.117 ( 16.867 0.000 -2.822) 17.101 14.840 ( -3.484 0.000 -0.201) 3.490 15.042 ( -0.730 0.000 -1.678) 1.830 15.919 ( -7.267 0.000 -8.415) 11.119 16.685 ( 28.208 0.000 -23.615) 36.789 18.884 ( 9.266 0.000 14.303) 17.042 19.532 ( -13.840 0.000 0.657) 13.855 19.743 ( -8.938 0.000 0.743) 8.969 20.365 ( -21.435 0.000 -8.567) 23.083 23.942 ( -8.471 0.000 -0.868) 8.516 23.980 ( 11.232 0.000 2.846) 11.587 24.347 ( 10.957 0.000 -14.639) 18.286 ======================= 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 7.23e-05 7.23e-05 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| 1.719 ( 23.244 0.000 9.492) 25.107 1.888 ( 16.986 0.000 22.126) 27.894 3.070 ( -10.691 0.000 0.435) 10.700 3.468 ( -15.590 0.000 0.383) 15.594 3.533 ( 39.772 0.000 12.039) 41.555 3.612 ( -0.119 0.000 -0.057) 0.132 4.018 ( -3.969 0.000 0.498) 4.000 4.252 ( 6.238 0.000 -6.035) 8.680 4.340 ( 13.130 0.000 3.369) 13.556 4.815 ( -1.337 0.000 -2.334) 2.690 5.481 ( -0.171 0.000 5.504) 5.506 5.530 ( 0.319 0.000 11.868) 11.872 6.520 ( -1.339 0.000 -8.822) 8.923 6.692 ( -1.247 0.000 -1.035) 1.621 7.579 ( -5.996 0.000 3.585) 6.986 7.655 ( -4.669 0.000 -6.362) 7.891 7.816 ( -8.733 0.000 0.309) 8.739 8.436 ( -3.066 0.000 19.260) 19.502 9.896 ( 11.264 0.000 0.860) 11.297 10.768 ( 5.600 0.000 -1.440) 5.782 11.390 ( 4.756 0.000 -12.329) 13.215 11.582 ( -14.884 0.000 9.605) 17.714 12.157 ( 1.022 0.000 -11.342) 11.387 12.841 ( -2.092 0.000 32.708) 32.775 13.493 ( 21.429 0.000 -2.558) 21.581 14.764 ( -4.178 0.000 1.222) 4.353 14.955 ( -8.353 0.000 -6.278) 10.449 15.766 ( -5.836 0.000 -3.771) 6.948 17.176 ( 26.327 0.000 -20.262) 33.222 19.081 ( 4.994 0.000 16.494) 17.233 19.207 ( -17.353 0.000 2.223) 17.495 19.547 ( -10.831 0.000 1.699) 10.963 19.982 ( -13.302 0.000 -12.323) 18.133 23.766 ( -8.573 0.000 -0.725) 8.604 24.192 ( 9.126 0.000 1.950) 9.332 24.472 ( 5.199 0.000 -9.485) 10.816 ======================= 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 7.23e-05 7.23e-05 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| 2.176 ( 20.372 0.000 8.891) 22.227 2.232 ( 11.704 0.000 18.905) 22.235 2.837 ( -11.217 0.000 1.550) 11.323 3.132 ( -17.950 0.000 3.546) 18.297 3.584 ( -2.319 0.000 -6.008) 6.440 3.930 ( -3.355 0.000 -4.721) 5.792 4.209 ( 22.885 0.000 -2.538) 23.025 4.395 ( 11.759 0.000 -3.898) 12.389 4.606 ( 10.897 0.000 8.686) 13.935 4.749 ( -4.375 0.000 -1.182) 4.532 5.483 ( -0.673 0.000 3.616) 3.678 5.506 ( -6.717 0.000 10.785) 12.706 6.457 ( -1.222 0.000 -9.042) 9.124 6.719 ( 3.461 0.000 7.756) 8.494 7.478 ( -5.016 0.000 7.946) 9.397 7.541 ( -4.715 0.000 -2.443) 5.310 7.680 ( -5.166 0.000 -0.510) 5.191 8.433 ( -1.690 0.000 19.537) 19.610 10.106 ( 9.067 0.000 -0.769) 9.099 10.866 ( 4.126 0.000 1.069) 4.263 11.315 ( -13.623 0.000 1.378) 13.692 11.452 ( 4.051 0.000 -12.130) 12.789 12.091 ( -4.746 0.000 -3.572) 5.940 12.954 ( 5.331 0.000 17.719) 18.503 13.932 ( 23.297 0.000 -3.504) 23.559 14.671 ( -17.840 0.000 -10.085) 20.493 14.693 ( -3.041 0.000 2.677) 4.051 15.686 ( -2.174 0.000 -0.258) 2.189 17.619 ( 22.018 0.000 -13.558) 25.858 18.858 ( -13.830 0.000 0.131) 13.831 19.140 ( -5.955 0.000 7.023) 9.208 19.344 ( -9.565 0.000 2.597) 9.911 19.858 ( 3.318 0.000 -1.076) 3.488 23.617 ( -5.935 0.000 -2.096) 6.294 24.332 ( 4.495 0.000 0.569) 4.530 24.519 ( 1.763 0.000 -9.055) 9.225 ======================= 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 7.23e-05 7.23e-05 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| 2.274 ( -12.446 0.000 9.805) 15.844 2.458 ( -1.803 0.000 9.919) 10.082 2.804 ( 8.309 0.000 9.438) 12.575 2.887 ( 0.234 0.000 3.117) 3.125 3.496 ( -4.331 0.000 -11.145) 11.957 3.878 ( -0.906 0.000 -5.098) 5.178 4.287 ( -8.179 0.000 -16.086) 18.046 4.564 ( -1.848 0.000 -6.225) 6.493 4.773 ( 3.361 0.000 10.833) 11.342 4.830 ( 13.680 0.000 5.858) 14.881 5.317 ( -12.531 0.000 8.641) 15.221 5.472 ( -1.151 0.000 2.373) 2.638 6.482 ( 5.088 0.000 -4.006) 6.476 6.845 ( 6.119 0.000 13.935) 15.219 7.442 ( -0.178 0.000 10.636) 10.637 7.491 ( 0.512 0.000 -1.241) 1.342 7.617 ( -0.773 0.000 -0.933) 1.212 8.456 ( -0.581 0.000 20.334) 20.342 10.220 ( 1.905 0.000 -0.161) 1.911 10.922 ( 0.891 0.000 2.908) 3.041 11.037 ( -13.922 0.000 -10.078) 17.187 11.486 ( 2.005 0.000 -11.358) 11.533 11.984 ( -4.781 0.000 -4.266) 6.407 13.076 ( 2.741 0.000 14.968) 15.217 14.218 ( -17.756 0.000 -13.823) 22.502 14.403 ( 17.962 0.000 -1.899) 18.062 14.669 ( 0.069 0.000 3.735) 3.736 15.659 ( -0.706 0.000 -0.251) 0.750 17.955 ( 13.303 0.000 -4.195) 13.949 18.700 ( -1.637 0.000 -1.720) 2.374 18.948 ( -11.008 0.000 -6.189) 12.629 19.216 ( -2.886 0.000 2.115) 3.579 20.041 ( 11.404 0.000 13.449) 17.633 23.527 ( -2.476 0.000 -4.970) 5.553 24.364 ( -1.278 0.000 -0.918) 1.574 24.502 ( -1.165 0.000 -10.225) 10.292 ======================= 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 7.23e-05 7.23e-05 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| 1.948 ( -20.249 0.000 7.359) 21.545 2.163 ( -22.715 0.000 8.906) 24.399 3.036 ( 9.885 0.000 10.356) 14.316 3.134 ( 16.161 0.000 2.469) 16.349 3.380 ( -4.260 0.000 -13.016) 13.695 3.863 ( 0.458 0.000 -4.766) 4.788 3.872 ( -28.417 0.000 -14.872) 32.073 4.460 ( -7.211 0.000 -5.166) 8.871 4.794 ( -3.237 0.000 12.624) 13.032 5.032 ( 3.811 0.000 5.948) 7.064 5.167 ( -2.390 0.000 3.734) 4.433 5.445 ( -2.178 0.000 1.945) 2.920 6.601 ( 6.282 0.000 0.929) 6.351 6.998 ( 5.792 0.000 16.004) 17.020 7.532 ( 6.384 0.000 11.242) 12.928 7.549 ( 5.151 0.000 -4.735) 6.997 7.659 ( 5.676 0.000 1.217) 5.805 8.499 ( -0.019 0.000 21.448) 21.448 10.156 ( -8.839 0.000 1.350) 8.941 10.708 ( -15.993 0.000 -22.942) 27.966 10.922 ( -1.225 0.000 3.559) 3.763 11.478 ( -0.289 0.000 -10.237) 10.241 11.892 ( -2.938 0.000 -7.278) 7.849 13.126 ( -1.065 0.000 17.082) 17.115 13.768 ( -21.473 0.000 -11.492) 24.354 14.712 ( 3.089 0.000 4.037) 5.083 14.772 ( 16.243 0.000 -4.176) 16.772 15.667 ( 2.460 0.000 -2.048) 3.201 18.106 ( 2.016 0.000 9.013) 9.235 18.650 ( -7.400 0.000 -14.452) 16.236 18.867 ( 9.234 0.000 0.402) 9.242 19.268 ( 7.772 0.000 -0.291) 7.777 20.318 ( 12.384 0.000 19.081) 22.747 23.487 ( -0.280 0.000 -11.078) 11.082 24.280 ( -6.739 0.000 -2.156) 7.075 24.431 ( -3.429 0.000 -11.295) 11.804 ======================= 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 7.23e-05 7.23e-05 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| 1.543 ( -22.393 0.000 8.801) 24.060 1.701 ( -25.687 0.000 9.398) 27.352 2.997 ( -31.146 0.000 -4.974) 31.541 3.270 ( -2.910 0.000 -11.546) 11.907 3.354 ( -5.491 0.000 4.589) 7.156 3.423 ( 11.172 0.000 -3.816) 11.806 3.878 ( 2.006 0.000 -0.980) 2.233 4.300 ( -6.408 0.000 -6.036) 8.803 4.738 ( -4.770 0.000 14.375) 15.146 5.021 ( -5.149 0.000 8.297) 9.765 5.203 ( 3.539 0.000 0.545) 3.580 5.394 ( -3.194 0.000 1.578) 3.563 6.703 ( 2.986 0.000 5.905) 6.616 7.160 ( 7.603 0.000 12.950) 15.017 7.636 ( 4.907 0.000 -8.400) 9.729 7.705 ( 7.645 0.000 10.015) 12.599 7.852 ( 12.571 0.000 3.003) 12.925 8.547 ( -0.402 0.000 21.823) 21.827 9.896 ( -16.539 0.000 0.878) 16.562 10.288 ( -20.282 0.000 -36.296) 41.579 10.893 ( -2.917 0.000 3.879) 4.853 11.435 ( -1.538 0.000 -9.078) 9.208 11.848 ( 0.722 0.000 -9.640) 9.667 13.128 ( -2.735 0.000 21.452) 21.625 13.350 ( -18.099 0.000 -9.642) 20.507 14.795 ( 4.098 0.000 3.737) 5.546 14.982 ( 5.918 0.000 -3.029) 6.648 15.769 ( 8.574 0.000 -5.441) 10.155 18.140 ( -0.154 0.000 24.321) 24.322 18.472 ( -5.543 0.000 -14.943) 15.938 19.157 ( 17.453 0.000 -0.581) 17.462 19.478 ( 12.375 0.000 -1.155) 12.429 20.607 ( 12.249 0.000 20.482) 23.865 23.433 ( -2.363 0.000 -24.512) 24.626 24.100 ( -10.470 0.000 -2.821) 10.843 24.325 ( -4.420 0.000 -10.307) 11.215 ======================= 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 7.23e-05 7.23e-05 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| 1.118 ( -22.723 0.000 12.331) 25.853 1.206 ( -26.502 0.000 11.358) 28.834 2.144 ( -47.159 0.000 2.957) 47.252 3.209 ( -0.715 0.000 -7.360) 7.395 3.364 ( -0.580 0.000 4.132) 4.172 3.556 ( 4.506 0.000 -9.973) 10.944 3.933 ( 2.675 0.000 2.254) 3.497 4.209 ( -1.582 0.000 -4.338) 4.618 4.687 ( -3.977 0.000 15.575) 16.074 4.887 ( -9.602 0.000 5.533) 11.082 5.279 ( 3.434 0.000 3.176) 4.677 5.342 ( -1.910 0.000 1.450) 2.398 6.748 ( 0.021 0.000 8.682) 8.682 7.340 ( 6.945 0.000 5.440) 8.822 7.694 ( 2.702 0.000 -9.273) 9.659 7.844 ( 3.879 0.000 3.787) 5.421 8.126 ( 13.385 0.000 3.242) 13.772 8.563 ( -3.466 0.000 16.732) 17.087 9.572 ( -14.437 0.000 -2.506) 14.653 9.736 ( -25.755 0.000 -38.524) 46.340 10.811 ( -6.239 0.000 4.015) 7.419 11.389 ( -1.024 0.000 -8.050) 8.115 11.890 ( 6.062 0.000 -10.096) 11.776 13.022 ( -12.940 0.000 -7.773) 15.095 13.136 ( -1.294 0.000 27.401) 27.432 14.878 ( 3.308 0.000 3.225) 4.620 15.028 ( 0.367 0.000 -1.160) 1.217 15.942 ( 9.394 0.000 -8.621) 12.750 18.314 ( 13.286 0.000 45.620) 47.515 18.383 ( -0.305 0.000 -11.795) 11.798 19.485 ( 14.860 0.000 -1.014) 14.895 19.710 ( 10.613 0.000 -0.437) 10.622 20.884 ( 10.898 0.000 18.367) 21.357 23.190 ( -17.369 0.000 -53.591) 56.335 23.875 ( -11.023 0.000 -2.624) 11.331 24.229 ( -3.027 0.000 -5.513) 6.289 ======================= 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 7.23e-05 7.23e-05 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| 0.719 ( -20.908 0.000 15.963) 26.305 0.733 ( -23.484 0.000 16.771) 28.857 1.307 ( -36.021 0.000 31.839) 48.076 3.219 ( 2.811 0.000 -0.727) 2.904 3.335 ( -2.155 0.000 -0.142) 2.160 3.595 ( 2.501 0.000 -8.776) 9.125 3.970 ( 0.982 0.000 -2.276) 2.479 4.206 ( 2.090 0.000 -0.307) 2.112 4.631 ( -5.839 0.000 14.819) 15.928 4.695 ( -9.491 0.000 4.243) 10.396 5.340 ( 1.198 0.000 2.956) 3.189 5.347 ( 2.380 0.000 5.068) 5.599 6.747 ( -2.545 0.000 7.459) 7.881 7.129 ( -46.511 0.000 -45.385) 64.985 7.698 ( 0.064 0.000 -8.754) 8.754 7.821 ( -2.787 0.000 -5.968) 6.587 8.343 ( 6.459 0.000 3.165) 7.192 8.464 ( -4.009 0.000 9.741) 10.534 9.376 ( -3.298 0.000 -6.667) 7.438 9.424 ( 11.534 0.000 26.773) 29.152 10.681 ( -7.230 0.000 4.386) 8.456 11.358 ( -0.377 0.000 -8.028) 8.037 12.037 ( 10.472 0.000 -9.490) 14.132 12.813 ( -6.399 0.000 -6.368) 9.028 13.272 ( 11.741 0.000 34.118) 36.082 14.935 ( 1.684 0.000 2.856) 3.316 15.022 ( -0.408 0.000 -0.180) 0.446 16.072 ( 5.652 0.000 -10.353) 11.795 18.404 ( 4.255 0.000 -6.316) 7.615 19.110 ( 62.209 0.000 68.680) 92.666 19.710 ( 7.836 0.000 -0.189) 7.839 19.882 ( 7.119 0.000 2.324) 7.489 21.083 ( 4.440 0.000 12.757) 13.507 22.181 ( -81.541 0.000 -97.538) 127.133 23.687 ( -6.662 0.000 -1.229) 6.774 24.190 ( -0.389 0.000 -1.454) 1.505 ======================= 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 7.23e-05 7.23e-05 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| 0.825 ( 5.156 20.252 21.000) 29.627 0.871 ( 5.502 23.117 19.155) 30.522 1.366 ( 1.638 24.840 41.520) 48.411 3.278 ( 5.657 -3.518 5.175) 8.436 3.349 ( -0.660 4.156 -1.806) 4.579 3.641 ( 1.140 -0.877 -1.924) 2.402 3.979 ( 1.515 -0.168 -11.548) 11.648 4.194 ( -2.644 -0.259 -0.534) 2.710 4.612 ( -5.721 5.645 9.281) 12.277 4.704 ( 9.944 -6.986 10.379) 15.981 5.389 ( 0.149 1.125 3.606) 3.780 5.545 ( 3.395 8.377 6.965) 11.411 5.767 ( -7.882 4.085 4.234) 9.836 6.833 ( -2.850 9.419 8.370) 12.919 7.833 ( -0.483 3.347 -1.025) 3.534 8.018 ( -1.807 14.284 -25.374) 29.174 8.457 ( 0.198 -3.243 14.275) 14.640 8.501 ( -8.619 10.638 -1.382) 13.761 9.476 ( 6.891 6.129 -4.199) 10.133 9.981 ( 34.754 -20.646 26.337) 48.246 10.561 ( -3.814 -2.387 3.826) 5.906 11.791 ( 8.019 4.903 -18.234) 20.514 12.279 ( 2.656 8.013 -8.290) 11.831 12.763 ( 3.848 5.420 -9.744) 11.796 13.890 ( 25.165 -3.341 -1.819) 25.451 14.933 ( -2.936 -2.308 -2.185) 4.327 15.072 ( 3.575 4.382 3.377) 6.587 16.039 ( 0.522 -7.058 -10.894) 12.991 16.941 ( -61.463 -42.870 40.675) 85.264 19.293 ( -47.731 17.932 -30.366) 59.345 19.755 ( 2.831 -3.000 0.067) 4.126 20.010 ( -2.289 6.225 -0.555) 6.656 21.070 ( -6.819 -0.179 5.696) 8.887 21.676 ( 69.579 -21.064 20.827) 75.622 24.192 ( 2.986 5.483 -5.769) 8.501 24.284 ( 6.202 18.978 -16.931) 26.178 ======================= 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 7.23e-05 7.23e-05 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| 0.979 ( 10.826 18.281 15.084) 26.057 1.195 ( 16.284 13.007 24.086) 31.851 1.881 ( 35.493 15.095 33.454) 51.057 3.306 ( -1.094 1.831 -2.737) 3.470 3.457 ( 7.269 -1.700 9.774) 12.299 3.681 ( 3.936 -4.817 -1.081) 6.314 3.935 ( -4.226 1.884 -9.474) 10.544 4.163 ( 0.686 0.621 -0.985) 1.352 4.490 ( -7.482 8.822 5.387) 12.760 4.791 ( -0.271 -4.914 4.797) 6.872 5.391 ( -0.786 0.167 4.785) 4.852 5.654 ( 2.325 12.980 8.661) 15.777 6.092 ( 26.380 -11.887 -11.048) 30.972 6.793 ( -2.933 9.305 7.329) 12.203 7.795 ( -2.412 3.474 -3.538) 5.514 7.934 ( -2.354 14.245 -13.429) 19.718 8.308 ( -10.067 7.238 -0.616) 12.415 8.487 ( -0.936 -0.547 15.216) 15.254 9.592 ( 5.031 4.729 0.446) 6.919 10.547 ( 5.621 -3.590 2.514) 7.127 10.651 ( 21.816 -27.229 10.615) 36.470 11.948 ( 11.726 -0.020 -17.798) 21.313 12.216 ( -6.817 6.515 -5.352) 10.843 12.872 ( 8.736 5.294 -7.033) 12.402 13.778 ( -38.348 0.441 31.072) 49.359 14.845 ( -4.441 -3.928 -2.358) 6.380 15.107 ( 0.249 5.438 3.051) 6.240 15.992 ( -4.716 -7.964 -12.394) 15.469 16.249 ( 4.299 -1.336 3.260) 5.558 18.814 ( -3.402 9.573 -3.719) 10.819 19.722 ( -5.992 -0.836 0.214) 6.054 19.940 ( -5.277 5.188 -0.380) 7.410 20.801 ( -19.041 0.554 -1.080) 19.080 22.919 ( 43.207 -41.553 6.499) 60.297 24.151 ( -4.522 2.848 -2.351) 5.839 24.407 ( 7.156 12.812 -14.922) 20.929 ======================= 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 7.23e-05 7.23e-05 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| 1.318 ( 19.365 8.619 11.352) 24.045 1.582 ( 17.306 9.056 21.897) 29.342 2.721 ( 40.446 6.623 22.064) 46.547 3.253 ( -3.950 2.610 -2.017) 5.146 3.569 ( 1.622 -1.153 5.882) 6.210 3.759 ( -7.210 1.007 -4.580) 8.601 3.842 ( 7.298 -7.877 3.606) 11.328 4.182 ( -0.245 2.920 -4.222) 5.139 4.398 ( -0.234 10.907 1.154) 10.970 4.806 ( 1.072 -1.721 0.714) 2.150 5.383 ( -1.026 -0.913 6.114) 6.266 5.708 ( 1.251 12.938 8.579) 15.574 6.424 ( 10.127 -10.594 -14.569) 20.665 6.758 ( -1.954 8.065 6.262) 10.396 7.732 ( -3.336 4.139 -2.464) 5.860 7.841 ( -5.198 10.090 -5.290) 12.522 8.104 ( -10.072 8.321 -0.296) 13.068 8.499 ( -1.526 2.840 14.987) 15.329 9.702 ( 6.813 0.667 2.414) 7.258 10.667 ( 7.164 0.496 -2.662) 7.658 11.016 ( 13.262 -17.678 6.172) 22.945 11.978 ( -13.459 3.418 -4.447) 14.581 12.172 ( 11.950 4.117 -17.077) 21.246 12.957 ( -11.312 4.224 24.292) 27.128 13.264 ( -2.941 8.506 17.103) 19.326 14.760 ( -4.087 -6.010 -2.269) 7.614 15.117 ( -0.684 5.576 0.240) 5.623 15.825 ( -8.278 -9.271 -8.145) 14.860 16.639 ( 27.888 -3.763 -19.774) 34.394 18.881 ( 6.882 -0.485 7.849) 10.450 19.518 ( -14.636 -0.716 1.317) 14.712 19.808 ( -7.839 5.442 -0.388) 9.551 20.375 ( -21.742 0.978 -6.585) 22.738 23.516 ( 19.066 -28.621 4.729) 34.714 24.041 ( -4.481 2.752 -3.552) 6.346 24.484 ( 3.545 6.418 -7.613) 10.570 ======================= 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 7.23e-05 7.23e-05 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| 1.755 ( 21.945 3.470 8.884) 23.928 1.964 ( 16.395 7.169 18.170) 25.502 3.089 ( -8.964 1.757 0.907) 9.180 3.463 ( -9.753 -1.785 3.529) 10.524 3.550 ( 25.257 1.525 6.608) 26.152 3.655 ( 5.486 3.509 2.833) 7.102 3.966 ( -0.420 -3.907 3.785) 5.456 4.178 ( 5.808 -1.243 -11.629) 13.058 4.508 ( 8.989 10.302 4.691) 14.455 4.813 ( -0.848 -0.656 -2.066) 2.327 5.385 ( -0.295 -1.890 6.887) 7.148 5.737 ( -0.541 11.685 7.720) 14.016 6.476 ( -0.058 -5.317 -12.045) 13.166 6.747 ( -0.495 6.880 5.947) 9.108 7.639 ( -6.488 6.021 2.796) 9.282 7.722 ( -5.013 6.015 -3.919) 8.756 7.929 ( -7.494 11.274 2.136) 13.705 8.490 ( -2.737 3.994 15.612) 16.346 9.888 ( 11.380 -1.060 0.186) 11.430 10.794 ( 5.848 1.912 -2.233) 6.545 11.237 ( 8.383 -8.134 3.703) 12.253 11.669 ( -15.436 4.845 -4.132) 16.698 12.317 ( 4.026 9.609 -15.856) 18.972 12.789 ( -5.258 -1.495 33.745) 34.185 13.514 ( 18.346 1.477 -1.340) 18.454 14.664 ( -5.349 -7.533 -1.859) 9.424 15.035 ( -7.970 5.746 -4.117) 10.653 15.668 ( -5.363 -9.187 -2.739) 10.985 17.152 ( 28.055 -1.973 -19.513) 34.231 19.057 ( 7.151 -3.114 12.437) 14.680 19.183 ( -18.348 -0.826 1.408) 18.421 19.626 ( -11.317 6.579 3.386) 13.521 19.978 ( -14.679 -0.313 -11.100) 18.406 23.686 ( -2.280 -9.520 3.421) 10.369 24.066 ( 8.787 -7.568 -4.795) 12.549 24.515 ( 0.886 2.280 -4.789) 5.378 ======================= 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 7.23e-05 7.23e-05 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| 2.205 ( 21.286 1.833 7.510) 22.646 2.285 ( 10.827 5.615 14.150) 18.681 2.880 ( -10.710 4.191 2.244) 11.718 3.161 ( -17.053 1.213 4.553) 17.692 3.603 ( -2.543 2.225 -4.406) 5.552 3.860 ( -2.741 -6.586 -3.736) 8.052 4.247 ( 24.593 2.620 2.089) 24.821 4.298 ( 6.852 -5.166 -9.706) 12.955 4.707 ( 7.405 5.828 3.660) 10.109 4.763 ( -2.039 1.679 2.882) 3.910 5.390 ( -1.389 -1.324 6.343) 6.627 5.697 ( -5.350 9.833 5.896) 12.652 6.441 ( 0.723 -1.021 -8.277) 8.371 6.774 ( 1.666 5.042 9.132) 10.564 7.509 ( -6.646 6.504 5.851) 10.987 7.632 ( -3.494 4.341 -3.239) 6.445 7.832 ( -2.976 16.025 5.112) 17.082 8.475 ( -2.185 2.829 16.693) 17.071 10.113 ( 10.432 0.363 -2.079) 10.644 10.879 ( 2.932 0.958 0.294) 3.098 11.313 ( -9.283 -0.196 4.600) 10.362 11.430 ( 0.870 0.734 -11.482) 11.539 12.263 ( -4.709 13.395 -7.654) 16.130 12.877 ( 4.826 -6.467 19.488) 21.093 13.903 ( 20.941 -2.955 -2.620) 21.310 14.509 ( -11.358 -9.372 -5.652) 15.772 14.828 ( -9.024 6.847 -2.683) 11.642 15.604 ( -1.663 -7.578 0.586) 7.781 17.636 ( 24.409 1.569 -14.817) 28.598 18.866 ( -12.372 0.693 0.303) 12.395 19.139 ( -3.434 -0.414 6.144) 7.051 19.373 ( -13.570 3.079 4.095) 14.505 19.832 ( 2.402 -2.471 -1.566) 3.785 23.590 ( -5.583 -2.482 -0.636) 6.143 24.246 ( 8.705 -9.913 -4.973) 14.099 24.492 ( -2.308 -0.603 -3.989) 4.648 ======================= 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 7.23e-05 7.23e-05 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| 2.307 ( -11.840 4.448 5.595) 13.830 2.568 ( 4.210 7.388 10.312) 13.366 2.763 ( 0.402 -1.483 2.843) 3.232 2.951 ( 2.314 3.359 9.181) 10.046 3.503 ( -5.115 1.421 -10.693) 11.938 3.825 ( 0.024 -4.963 -4.401) 6.634 4.264 ( -8.706 -2.499 -13.531) 16.282 4.508 ( 0.852 -3.626 -9.658) 10.352 4.812 ( 9.238 0.462 11.381) 14.666 4.861 ( 3.394 4.920 7.084) 9.269 5.322 ( -6.896 2.719 4.967) 8.923 5.603 ( -3.272 8.766 3.530) 10.000 6.499 ( 6.066 1.974 -3.280) 7.173 6.854 ( 3.668 1.081 13.835) 14.354 7.434 ( -1.919 5.086 6.286) 8.310 7.578 ( -0.769 4.099 -3.318) 5.329 7.835 ( 1.635 19.384 7.663) 20.908 8.487 ( -0.455 1.874 17.502) 17.608 10.242 ( 2.006 1.820 -2.059) 3.402 10.908 ( -0.950 -0.950 1.269) 1.848 11.041 ( -13.039 0.497 -10.025) 16.455 11.502 ( 4.454 3.222 -4.615) 7.178 12.141 ( -5.581 12.547 -7.937) 15.861 12.993 ( 2.204 -7.410 15.428) 17.257 14.165 ( -18.737 -5.304 -11.684) 22.709 14.302 ( 18.033 -8.230 -1.580) 19.885 14.754 ( 1.449 6.894 1.771) 7.264 15.582 ( -0.860 -7.123 0.318) 7.182 18.019 ( 15.935 5.868 -5.928) 17.986 18.726 ( -2.046 1.512 -4.222) 4.929 18.937 ( -13.496 0.381 -0.162) 13.502 19.219 ( -2.155 -0.128 0.314) 2.182 20.005 ( 11.462 -3.476 13.012) 17.685 23.490 ( -3.896 -3.137 -5.112) 7.152 24.361 ( 3.570 -10.480 -8.339) 13.861 24.407 ( -4.677 1.106 -1.940) 5.182 ======================= 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 7.23e-05 7.23e-05 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| 1.982 ( -19.964 4.863 5.371) 21.238 2.283 ( -22.209 8.655 7.299) 24.929 3.010 ( 12.309 -2.052 5.815) 13.767 3.168 ( 12.189 1.012 5.769) 13.523 3.385 ( -3.040 1.847 -11.754) 12.281 3.789 ( -9.797 -4.883 -8.779) 14.032 3.911 ( -15.296 2.161 -8.877) 17.816 4.456 ( -3.469 -0.878 -7.395) 8.216 4.809 ( -6.929 1.460 12.413) 14.290 5.004 ( 3.625 -1.146 7.093) 8.048 5.230 ( -1.541 6.091 2.881) 6.912 5.578 ( -1.152 9.878 1.577) 10.069 6.632 ( 6.818 3.021 1.053) 7.531 6.971 ( 4.393 -2.887 16.010) 16.851 7.456 ( 2.274 1.001 4.273) 4.943 7.605 ( 4.683 4.773 -3.573) 7.582 7.925 ( 5.333 18.586 9.174) 21.402 8.537 ( 1.387 2.512 17.679) 17.910 10.159 ( -9.930 0.161 -0.356) 9.937 10.667 ( -16.745 -2.407 -20.187) 26.338 10.950 ( -0.254 2.321 2.049) 3.106 11.573 ( 4.106 8.683 -4.950) 10.805 12.012 ( -5.151 10.220 -10.769) 15.715 13.029 ( -1.951 -8.481 15.788) 18.027 13.754 ( -18.887 -1.603 -9.928) 21.397 14.592 ( 10.584 -8.318 0.701) 13.480 14.872 ( 9.096 6.254 -1.228) 11.107 15.583 ( 1.804 -7.760 -1.250) 8.064 18.174 ( -2.740 5.987 9.507) 11.564 18.640 ( -4.060 -0.573 -14.592) 15.158 18.854 ( 7.298 -1.060 0.379) 7.384 19.295 ( 9.656 2.364 -0.559) 9.957 20.288 ( 12.933 -2.905 18.855) 23.048 23.395 ( -4.507 -8.304 -12.889) 15.981 24.255 ( -7.514 -4.827 -3.441) 9.571 24.406 ( 0.871 0.217 -7.204) 7.260 ======================= 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 7.23e-05 7.23e-05 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| 1.583 ( -21.604 6.032 8.243) 23.897 1.831 ( -24.870 9.144 6.045) 27.178 3.035 ( -23.886 3.230 -2.124) 24.196 3.237 ( -2.227 -2.906 -8.646) 9.390 3.359 ( -5.529 1.122 -0.907) 5.714 3.490 ( 9.552 5.465 -1.358) 11.088 3.850 ( 0.197 -2.250 -2.092) 3.079 4.351 ( -4.713 4.006 -6.965) 9.315 4.710 ( -5.016 -2.107 13.757) 14.794 5.002 ( -4.867 -0.545 8.033) 9.408 5.255 ( 2.406 4.740 1.665) 5.570 5.544 ( -2.404 11.809 0.808) 12.078 6.746 ( 3.711 3.750 4.732) 7.087 7.072 ( 1.030 -10.057 14.360) 17.561 7.533 ( 5.334 0.475 0.700) 5.401 7.735 ( 8.505 3.690 -3.547) 9.926 8.076 ( 7.477 13.735 9.832) 18.472 8.619 ( 2.893 5.173 16.370) 17.410 9.886 ( -16.331 -0.968 -0.249) 16.361 10.242 ( -20.770 -2.398 -28.724) 35.527 10.927 ( -3.224 2.932 2.584) 5.066 11.654 ( 5.657 17.738 -7.470) 20.061 11.901 ( -2.810 4.905 -12.108) 13.363 12.994 ( -5.164 -9.431 14.253) 17.854 13.414 ( -12.999 3.495 -3.940) 14.025 14.757 ( 6.626 -3.758 3.792) 8.509 15.012 ( 4.152 2.795 -3.404) 6.053 15.677 ( 8.464 -8.572 -4.374) 12.816 18.003 ( -13.893 -9.301 15.946) 23.104 18.615 ( 4.030 9.723 -6.605) 12.426 19.114 ( 16.875 -2.933 -1.613) 17.204 19.542 ( 14.004 5.199 -0.848) 14.962 20.588 ( 12.758 -1.827 20.514) 24.227 23.201 ( -12.470 -19.254 -25.415) 34.236 24.115 ( -5.320 0.773 -0.815) 5.437 24.382 ( -1.189 4.164 -8.927) 9.922 ======================= 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 7.23e-05 7.23e-05 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| 1.191 ( -19.935 9.094 13.793) 25.891 1.338 ( -25.999 9.884 4.911) 28.244 2.324 ( -39.712 15.904 5.495) 43.130 3.179 ( -0.919 -2.947 -6.966) 7.619 3.386 ( 1.289 2.353 2.921) 3.966 3.621 ( 3.775 5.559 -8.613) 10.924 3.867 ( 1.877 -6.117 1.536) 6.580 4.270 ( -1.784 5.326 -5.126) 7.604 4.673 ( -2.754 -1.026 14.734) 15.024 4.872 ( -9.308 -0.513 6.275) 11.237 5.310 ( 2.562 2.904 2.002) 4.359 5.504 ( -1.336 13.148 1.498) 13.301 6.784 ( -2.395 -0.571 4.891) 5.476 7.010 ( -11.112 -19.084 9.539) 24.056 7.675 ( 8.167 4.651 0.356) 9.406 7.900 ( 9.358 3.391 -7.056) 12.201 8.245 ( 6.716 5.758 10.159) 13.470 8.715 ( 2.958 9.303 10.691) 14.477 9.577 ( -12.865 0.510 -3.693) 13.394 9.735 ( -22.664 1.373 -25.130) 33.868 10.827 ( -7.309 1.333 3.328) 8.141 11.717 ( 2.018 20.519 -15.476) 25.780 11.918 ( 8.646 5.621 -8.453) 13.334 12.886 ( -7.196 -6.212 3.207) 10.033 13.263 ( -2.694 6.569 11.638) 13.632 14.883 ( 5.143 -0.244 4.609) 6.911 15.028 ( -0.920 0.437 -2.710) 2.895 15.858 ( 10.037 -8.052 -7.894) 15.097 17.781 ( -12.268 -25.902 20.561) 35.273 18.806 ( 16.934 15.950 9.449) 25.109 19.439 ( 15.292 -2.035 -2.404) 15.613 19.799 ( 11.328 6.643 0.569) 13.145 20.872 ( 10.981 -1.090 18.452) 21.499 22.716 ( -31.335 -31.508 -40.300) 59.990 24.058 ( -0.026 7.564 -2.991) 8.134 24.330 ( -1.777 8.286 -9.185) 12.497 ======================= 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 7.23e-05 7.23e-05 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| 0.882 ( -18.491 15.928 9.775) 26.290 0.907 ( -11.429 14.636 21.736) 28.588 1.632 ( -30.903 26.731 22.828) 46.804 3.184 ( 2.553 -3.371 -0.548) 4.264 3.384 ( -1.547 4.529 0.126) 4.787 3.636 ( 0.586 2.633 -6.199) 6.760 3.926 ( 4.353 -4.686 -4.541) 7.844 4.238 ( -1.323 3.952 -2.813) 5.028 4.629 ( -5.531 0.243 13.888) 14.951 4.710 ( -6.540 1.437 5.939) 8.950 5.359 ( 1.827 2.025 2.226) 3.521 5.510 ( 1.083 12.725 3.759) 13.313 6.396 ( -38.974 -27.537 -3.523) 47.851 6.868 ( -3.227 7.239 9.562) 12.420 7.803 ( 3.890 4.125 0.552) 5.697 8.049 ( 6.532 7.546 -20.641) 22.927 8.375 ( 4.279 -1.344 11.503) 12.347 8.695 ( -7.618 13.023 -7.374) 16.793 9.397 ( -1.491 2.911 0.459) 3.302 9.481 ( 4.453 4.802 10.139) 12.070 10.677 ( -8.088 -0.669 4.513) 9.286 11.720 ( 3.440 10.775 -17.729) 21.030 12.135 ( 12.975 13.523 -11.262) 21.865 12.772 ( -2.963 0.704 -5.913) 6.651 13.390 ( 14.157 8.330 18.222) 24.533 14.976 ( 1.461 3.597 1.417) 4.133 14.996 ( 0.446 -2.373 0.890) 2.574 16.001 ( 5.962 -7.072 -10.191) 13.763 17.579 ( -17.041 -46.236 28.678) 57.015 19.398 ( 36.845 7.619 19.530) 42.392 19.681 ( 9.795 0.830 -3.638) 10.481 19.984 ( 7.484 6.920 5.382) 11.527 21.059 ( 2.302 -2.031 10.607) 11.043 21.705 ( -57.352 -23.224 -45.017) 76.519 24.095 ( 5.235 13.176 -9.687) 17.171 24.282 ( -0.819 11.108 -8.419) 13.962 ======================= 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 7.23e-05 7.23e-05 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| 1.269 ( 4.789 20.165 17.588) 27.183 1.312 ( 2.714 22.274 17.792) 28.637 2.031 ( -1.694 34.820 17.791) 39.139 3.162 ( 5.711 -7.549 6.010) 11.213 3.463 ( -1.980 5.243 -2.568) 6.165 3.533 ( -2.257 -8.304 2.879) 9.074 4.012 ( 5.550 3.737 -10.372) 12.342 4.256 ( -4.224 4.789 -1.379) 6.533 4.620 ( 1.015 -0.235 9.066) 9.126 4.739 ( -1.437 5.082 6.678) 8.514 5.388 ( -0.808 -1.997 0.943) 2.352 5.612 ( 1.408 -0.491 6.614) 6.780 5.989 ( -0.679 14.034 1.391) 14.119 7.087 ( -1.268 13.805 8.018) 16.015 7.934 ( -2.144 6.307 -0.483) 6.679 8.231 ( 2.840 9.051 -18.255) 20.573 8.383 ( 1.055 -3.764 13.398) 13.956 8.703 ( -8.625 8.248 1.965) 12.095 9.624 ( 7.586 7.528 -2.478) 10.971 9.794 ( 16.385 0.398 20.784) 26.469 10.479 ( -5.300 -5.770 2.253) 8.152 11.603 ( 2.943 -17.000 -4.893) 17.933 12.420 ( -1.355 7.303 0.068) 7.428 12.962 ( 4.153 10.290 -13.419) 17.413 13.833 ( 11.141 -1.922 -5.677) 12.651 14.868 ( -3.461 -3.742 -3.714) 6.307 15.157 ( 4.475 2.051 1.490) 5.143 15.815 ( -0.322 -13.875 -10.393) 17.339 16.386 ( -24.771 -15.673 22.774) 37.120 19.490 ( -28.863 4.921 -27.554) 40.206 19.689 ( 6.079 -3.079 -1.263) 6.930 20.150 ( -1.390 6.915 -1.955) 7.320 21.065 ( -4.107 -0.348 7.246) 8.337 21.375 ( 32.274 -10.820 16.822) 37.969 24.268 ( 0.374 3.804 -1.798) 4.224 24.503 ( 2.950 4.328 -8.184) 9.717 ======================= 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 7.23e-05 7.23e-05 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| 1.398 ( 4.220 21.005 13.740) 25.452 1.505 ( 12.007 16.038 20.002) 28.310 2.309 ( 23.273 24.096 18.124) 38.088 3.299 ( 4.611 -5.428 6.343) 9.537 3.460 ( 3.429 4.779 0.814) 5.938 3.518 ( 0.633 -10.405 0.176) 10.426 3.979 ( -6.758 1.950 -7.246) 10.099 4.252 ( 3.949 7.108 -1.640) 8.295 4.644 ( -2.608 3.398 5.437) 6.922 4.730 ( 0.579 1.694 4.423) 4.772 5.392 ( 0.384 -1.010 1.995) 2.269 5.814 ( 12.472 -2.859 4.762) 13.653 6.027 ( 5.146 9.121 -1.080) 10.528 7.058 ( -3.308 14.868 8.378) 17.383 7.879 ( -2.418 4.371 -3.606) 6.161 8.221 ( -1.978 15.277 -6.595) 16.757 8.418 ( -0.277 -1.034 5.831) 5.928 8.552 ( -5.871 9.896 6.007) 12.980 9.686 ( -0.431 3.269 1.529) 3.635 10.284 ( 24.793 -6.366 22.237) 33.907 10.488 ( 6.203 -5.092 -3.352) 8.698 11.715 ( 8.978 -17.805 -3.217) 20.198 12.345 ( -5.967 7.329 -1.048) 9.509 13.049 ( 7.282 8.723 -10.402) 15.405 13.790 ( -15.874 0.796 6.552) 17.191 14.765 ( -5.908 -3.616 -5.100) 8.602 15.207 ( 0.625 2.507 3.882) 4.664 15.728 ( -6.019 -15.456 -10.725) 19.752 16.205 ( 6.889 -2.650 1.588) 7.550 18.976 ( -13.742 5.545 -14.548) 20.766 19.704 ( -4.226 -0.836 -1.725) 4.641 20.074 ( -5.603 7.316 -2.610) 9.578 20.817 ( -18.528 0.952 1.807) 18.640 22.228 ( 40.377 -26.083 14.405) 50.181 24.226 ( -4.116 4.206 -1.825) 6.162 24.540 ( 2.079 2.140 -5.997) 6.698 ======================= 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 7.23e-05 7.23e-05 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| 1.569 ( 10.902 14.866 10.723) 21.326 1.823 ( 15.416 13.458 15.817) 25.864 2.871 ( 25.745 6.760 12.854) 29.559 3.335 ( 0.278 1.959 3.002) 3.595 3.512 ( 0.288 -3.307 3.815) 5.057 3.665 ( 12.662 -4.688 2.055) 13.657 3.793 ( -9.114 0.690 -3.738) 9.875 4.304 ( -0.094 8.162 -4.850) 9.495 4.604 ( 0.118 7.675 3.725) 8.531 4.765 ( 1.612 -1.645 1.236) 2.614 5.402 ( 0.154 1.862 3.305) 3.796 5.939 ( 0.750 6.492 5.521) 8.555 6.214 ( 11.137 -6.267 -7.280) 14.707 7.002 ( -4.188 13.544 9.031) 16.808 7.825 ( -2.550 4.465 -3.350) 6.137 8.123 ( -6.776 17.735 2.202) 19.112 8.343 ( -5.659 13.214 0.877) 14.401 8.548 ( 0.318 2.019 9.798) 10.009 9.693 ( 2.809 -2.007 1.751) 3.871 10.653 ( 10.033 -2.372 -6.649) 12.268 10.784 ( 20.131 -4.462 19.302) 28.244 11.892 ( 6.536 -13.040 -6.730) 16.064 12.210 ( -4.641 5.709 0.772) 7.398 13.152 ( -0.039 9.205 -4.747) 10.357 13.442 ( -12.259 9.106 14.546) 21.090 14.633 ( -6.145 -5.809 -5.121) 9.886 15.231 ( 0.308 4.252 2.852) 5.129 15.547 ( -9.093 -16.111 -8.276) 20.267 16.562 ( 26.897 -3.145 -14.222) 30.588 18.856 ( 1.510 -1.937 -2.345) 3.396 19.518 ( -14.000 0.760 0.468) 14.028 19.934 ( -7.495 6.094 -4.028) 10.466 20.408 ( -21.900 2.297 -0.817) 22.036 22.921 ( 27.138 -27.201 9.115) 39.489 24.112 ( -6.278 4.026 -3.556) 8.262 24.554 ( 0.358 0.784 -3.395) 3.503 ======================= 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 7.23e-05 7.23e-05 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| 1.868 ( 16.809 7.561 7.100) 19.751 2.164 ( 15.496 11.549 11.934) 22.714 3.122 ( -2.332 0.711 1.226) 2.728 3.356 ( -7.582 -8.544 6.874) 13.332 3.568 ( 6.402 -0.264 1.253) 6.529 3.696 ( 3.767 -1.378 -1.096) 4.158 3.958 ( 15.417 5.523 6.789) 17.728 4.237 ( -1.806 6.448 -10.950) 12.835 4.686 ( 5.550 4.898 3.129) 8.036 4.782 ( 0.086 -1.301 0.606) 1.438 5.418 ( 0.656 4.506 4.456) 6.371 5.929 ( -2.892 5.175 4.726) 7.582 6.359 ( 5.917 -3.687 -8.481) 10.979 6.942 ( -3.862 10.387 9.724) 14.743 7.754 ( -4.044 4.663 -1.559) 6.366 7.987 ( -7.427 20.248 4.256) 21.983 8.265 ( -2.262 19.729 3.570) 20.176 8.538 ( -3.679 -0.205 11.969) 12.524 9.842 ( 11.944 -3.426 -1.723) 12.545 10.810 ( 6.797 -1.017 -5.737) 8.952 11.153 ( 13.117 -0.024 16.364) 20.972 11.776 ( -12.192 5.095 -12.256) 18.022 12.312 ( 10.353 -6.836 0.791) 12.431 12.952 ( -13.166 14.058 13.489) 23.515 13.532 ( 11.962 0.145 0.139) 11.964 14.491 ( -7.535 -9.007 -4.821) 12.695 15.159 ( -8.386 5.863 -4.505) 11.180 15.412 ( -2.208 -14.424 0.354) 14.596 17.111 ( 31.267 -1.641 -18.032) 36.132 18.951 ( 5.990 -6.340 3.742) 9.491 19.202 ( -16.180 2.368 1.585) 16.429 19.767 ( -9.243 5.432 0.361) 10.727 19.985 ( -19.486 2.016 -3.880) 19.971 23.353 ( 14.910 -20.441 7.097) 26.278 23.986 ( -4.428 -0.842 -7.488) 8.740 24.541 ( -1.011 0.319 -1.905) 2.180 ======================= 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 7.23e-05 7.23e-05 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| 2.237 ( 18.640 1.653 4.131) 19.164 2.460 ( 10.856 10.791 7.404) 17.004 2.998 ( -8.020 6.385 3.325) 10.777 3.113 ( -15.234 -6.301 5.581) 17.405 3.642 ( 3.102 -3.699 -0.776) 4.890 3.713 ( -5.105 -2.372 -5.284) 7.721 4.196 ( 5.518 -2.100 -10.448) 12.001 4.368 ( 14.874 7.177 1.442) 16.577 4.703 ( -1.276 -3.949 -5.700) 7.051 4.868 ( 5.640 4.821 11.784) 13.926 5.446 ( 0.810 6.290 4.568) 7.816 5.840 ( -6.829 3.060 3.926) 8.451 6.452 ( 6.046 2.891 -5.782) 8.851 6.901 ( -2.512 6.533 10.620) 12.719 7.667 ( -4.217 5.309 -0.305) 6.787 7.859 ( -6.188 21.109 3.974) 22.353 8.268 ( 1.029 24.109 6.342) 24.951 8.488 ( -3.580 -2.309 14.170) 14.796 10.105 ( 13.631 -1.480 -4.569) 14.452 10.885 ( 1.841 -0.860 -2.217) 3.007 11.320 ( -4.814 0.923 7.197) 8.708 11.550 ( -1.040 10.823 -9.127) 14.196 12.449 ( 1.917 -0.887 -7.230) 7.532 12.816 ( -3.492 5.574 18.276) 19.424 13.797 ( 14.229 -7.612 -1.088) 16.174 14.297 ( -11.160 -10.863 -6.741) 16.970 14.975 ( -6.653 7.348 -3.986) 10.684 15.403 ( -0.377 -10.769 2.495) 11.061 17.679 ( 29.573 2.444 -16.823) 34.111 18.886 ( -10.645 1.288 1.139) 10.783 19.105 ( 2.628 -3.035 2.023) 4.496 19.483 ( -21.010 7.487 8.350) 23.816 19.760 ( -0.140 -4.357 -2.445) 4.998 23.518 ( 0.123 -4.972 3.440) 6.047 23.949 ( 3.361 -16.199 -9.660) 19.158 24.508 ( -1.849 1.388 -1.275) 2.640 ======================= 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 7.23e-05 7.23e-05 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| 2.452 ( -8.568 7.413 0.219) 11.331 2.642 ( 15.774 1.499 3.572) 16.243 2.793 ( -16.876 1.841 3.555) 17.345 2.989 ( 5.440 1.689 11.082) 12.461 3.556 ( -7.026 1.000 -9.853) 12.143 3.704 ( 3.015 -4.047 -2.938) 5.839 4.183 ( -5.384 -4.917 -11.759) 13.836 4.457 ( -1.960 -1.220 -12.626) 12.835 4.826 ( 10.533 1.206 10.122) 14.658 4.958 ( -0.496 3.536 10.713) 11.292 5.448 ( -2.098 8.808 3.089) 9.567 5.733 ( -2.885 2.928 3.380) 5.322 6.581 ( 7.595 6.182 -1.576) 9.918 6.892 ( -1.217 2.352 12.401) 12.681 7.600 ( -2.232 6.294 -0.264) 6.683 7.774 ( -2.803 18.558 2.126) 18.889 8.315 ( 1.519 25.343 9.417) 27.079 8.483 ( 0.034 -2.583 14.538) 14.765 10.272 ( 2.243 0.274 -5.654) 6.089 10.895 ( -1.152 -0.338 0.743) 1.412 11.069 ( -12.565 2.440 -10.799) 16.747 11.661 ( 7.596 12.226 2.685) 14.641 12.371 ( -5.997 5.671 -9.686) 12.726 12.843 ( 0.063 -3.612 15.434) 15.852 13.981 ( -9.687 -12.784 -3.731) 16.468 14.115 ( 9.423 -9.016 -6.266) 14.469 14.925 ( 2.094 9.220 -0.994) 9.507 15.392 ( -1.177 -10.351 1.608) 10.541 18.175 ( 23.095 8.494 -10.119) 26.607 18.720 ( -7.366 -1.360 -4.254) 8.614 19.023 ( -16.766 7.450 5.877) 19.265 19.196 ( 0.618 -2.153 -1.085) 2.489 19.900 ( 11.247 -6.571 11.882) 17.631 23.418 ( -8.450 -3.569 -6.785) 11.409 24.029 ( 4.834 -18.651 -5.052) 19.919 24.470 ( -1.397 3.048 -1.808) 3.809 ======================= 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 7.23e-05 7.23e-05 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 ( -18.216 10.989 3.408) 21.545 2.430 ( -20.291 4.612 2.076) 20.911 2.958 ( 13.410 -2.582 1.503) 13.739 3.149 ( 5.480 -1.480 5.482) 7.891 3.444 ( -0.943 0.694 -8.196) 8.279 3.691 ( -6.093 -3.027 -6.415) 9.351 3.979 ( -9.073 4.465 -7.242) 12.438 4.400 ( -0.499 -4.551 -10.620) 11.565 4.863 ( -9.359 3.778 12.153) 15.798 5.012 ( 3.808 1.712 8.699) 9.649 5.402 ( -2.158 9.752 2.790) 10.370 5.744 ( 1.907 4.735 1.140) 5.230 6.729 ( 7.074 6.416 1.944) 9.746 6.891 ( -2.707 -3.932 13.812) 14.614 7.593 ( 2.174 8.119 -1.081) 8.475 7.764 ( 1.562 12.826 -0.232) 12.923 8.361 ( 0.551 22.146 12.120) 25.252 8.558 ( 4.292 -0.033 12.694) 13.400 10.149 ( -12.090 -1.587 -3.260) 12.622 10.657 ( -17.046 1.644 -16.114) 23.514 11.009 ( 1.924 3.317 0.668) 3.892 11.822 ( 8.428 15.135 1.577) 17.395 12.204 ( -8.236 4.519 -10.622) 14.180 12.859 ( -1.179 -4.652 11.344) 12.318 13.693 ( -13.651 -4.302 -7.234) 16.037 14.375 ( 13.748 -12.817 -0.587) 18.804 15.016 ( 5.871 7.354 -2.082) 9.638 15.379 ( 0.466 -10.704 0.816) 10.745 18.305 ( -19.333 5.005 9.952) 22.313 18.673 ( 11.937 5.512 -12.661) 18.253 18.820 ( 0.677 -2.511 -1.465) 2.985 19.357 ( 13.512 3.463 -0.647) 13.964 20.196 ( 14.455 -5.971 18.210) 24.004 23.168 ( -14.452 -13.045 -16.427) 25.473 24.092 ( 2.333 -8.655 -0.642) 8.986 24.450 ( 0.112 2.709 -3.978) 4.814 ======================= 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 7.23e-05 7.23e-05 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 ( -18.391 14.111 7.039) 24.226 2.008 ( -22.399 7.850 0.321) 23.737 3.076 ( -5.160 -1.510 -1.879) 5.695 3.183 ( -4.739 -0.503 -1.632) 5.037 3.389 ( -3.025 -0.350 -4.874) 5.747 3.593 ( 5.566 3.646 -0.373) 6.664 3.844 ( -5.733 3.614 -3.316) 7.545 4.398 ( 1.875 -0.968 -7.768) 8.049 4.705 ( -7.470 2.962 11.204) 13.788 5.021 ( -4.788 2.181 9.261) 10.651 5.383 ( -0.592 7.069 2.011) 7.374 5.772 ( 0.542 8.095 -0.055) 8.113 6.779 ( -8.459 -7.719 6.997) 13.420 6.889 ( 4.239 2.210 9.255) 10.416 7.691 ( 7.770 10.490 -0.919) 13.086 7.829 ( 5.150 6.544 -2.566) 8.714 8.389 ( -0.646 16.101 12.550) 20.425 8.696 ( 6.612 2.652 10.128) 12.383 9.856 ( -15.467 -2.051 -1.783) 15.704 10.251 ( -19.622 3.639 -18.831) 27.438 10.995 ( -4.272 3.228 1.529) 5.569 11.941 ( -3.509 1.469 -8.842) 9.625 12.073 ( 4.633 15.480 -2.071) 16.291 12.867 ( 0.563 0.236 4.385) 4.428 13.452 ( -8.917 0.105 -3.228) 9.484 14.631 ( 11.688 -8.887 2.470) 14.889 15.080 ( 0.636 2.484 -4.263) 4.975 15.456 ( 7.578 -10.687 -1.274) 13.162 17.835 ( -27.019 -6.311 12.679) 30.506 18.759 ( 5.447 1.878 -4.082) 7.061 19.114 ( 20.210 5.262 -2.487) 21.032 19.657 ( 15.783 5.334 -1.232) 16.706 20.531 ( 14.594 -3.716 20.658) 25.565 22.757 ( -23.113 -21.738 -24.626) 40.164 24.128 ( 1.600 0.695 0.853) 1.942 24.452 ( 1.092 2.209 -5.990) 6.477 ======================= 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 7.23e-05 7.23e-05 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| 1.486 ( -15.056 18.416 11.012) 26.212 1.577 ( -20.163 12.979 1.165) 24.008 2.705 ( -25.765 18.257 6.817) 32.305 3.090 ( -1.741 -5.421 -5.907) 8.204 3.461 ( 4.690 4.104 1.218) 6.350 3.702 ( -4.245 -7.692 2.282) 9.077 3.745 ( 5.209 4.855 -6.679) 9.763 4.394 ( -1.000 5.706 -6.592) 8.776 4.662 ( -0.066 0.434 11.698) 11.706 4.887 ( -9.875 1.951 7.662) 12.650 5.381 ( 0.057 3.463 1.324) 3.708 5.769 ( -0.839 9.460 0.245) 9.500 6.508 ( -19.452 -13.722 5.186) 24.363 6.997 ( 3.850 6.922 7.736) 11.072 7.854 ( 6.841 11.221 0.737) 13.163 7.963 ( 9.944 2.380 -4.648) 11.232 8.386 ( -2.320 8.454 9.011) 12.572 8.834 ( 4.134 3.224 7.686) 9.303 9.591 ( -9.257 0.713 -3.609) 9.961 9.832 ( -17.663 8.086 -11.765) 22.710 10.854 ( -9.946 0.850 2.442) 10.277 11.762 ( -8.071 -8.685 -9.794) 15.378 12.258 ( 9.685 16.397 -0.535) 19.052 12.904 ( 3.352 9.149 -9.412) 13.547 13.360 ( 0.645 2.645 4.927) 5.629 14.836 ( 8.032 -4.508 4.349) 10.186 15.048 ( -1.762 0.078 -4.349) 4.693 15.631 ( 9.752 -12.108 -5.303) 16.427 17.341 ( -26.326 -15.996 17.383) 35.371 18.971 ( 16.918 0.529 2.139) 17.061 19.487 ( 17.417 7.199 -1.287) 18.890 19.936 ( 11.977 5.979 -0.013) 13.386 20.845 ( 11.782 -1.441 19.063) 22.456 22.127 ( -34.432 -24.141 -30.077) 51.701 24.169 ( 2.671 4.466 -0.745) 5.257 24.462 ( 1.321 3.582 -6.859) 7.850 ======================= 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 7.23e-05 7.23e-05 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| 1.263 ( -8.856 19.233 11.986) 24.331 1.312 ( -7.041 23.093 12.173) 27.038 2.247 ( -21.035 30.064 13.828) 39.212 3.080 ( 1.696 -6.591 0.036) 6.806 3.503 ( -0.749 5.899 0.460) 5.964 3.595 ( -4.898 -7.585 3.298) 9.612 3.882 ( 8.765 2.324 -10.222) 13.664 4.342 ( -3.072 5.410 -3.575) 7.176 4.665 ( -5.870 3.378 10.973) 12.895 4.741 ( -2.289 1.296 5.983) 6.535 5.391 ( 0.460 0.308 1.072) 1.207 5.715 ( -6.512 2.232 2.523) 7.332 6.120 ( -15.996 0.893 2.577) 16.227 7.067 ( 1.418 10.595 7.824) 13.247 7.939 ( 1.858 8.942 1.238) 9.217 8.164 ( 9.410 4.158 -9.446) 13.967 8.350 ( -1.836 -0.493 5.754) 6.060 8.843 ( -4.875 3.959 3.649) 7.263 9.506 ( 1.275 6.607 -4.274) 7.971 9.614 ( -1.058 8.720 6.624) 11.002 10.646 ( -10.981 -2.567 3.656) 11.855 11.623 ( -3.499 -13.773 -7.410) 16.026 12.396 ( 3.929 9.837 0.295) 10.597 12.934 ( 2.773 11.782 -16.624) 20.564 13.533 ( 15.039 4.921 1.878) 15.935 14.923 ( -0.788 -4.178 -0.250) 4.259 15.055 ( 4.315 1.927 0.046) 4.726 15.779 ( 6.109 -13.392 -8.551) 17.023 16.868 ( -26.956 -22.966 23.351) 42.418 19.397 ( 22.067 -3.906 0.786) 22.424 19.769 ( 9.057 5.660 -4.312) 11.518 20.117 ( 5.917 5.765 2.276) 8.569 21.014 ( -0.862 -2.050 7.138) 7.477 21.373 ( -26.494 -11.063 -14.783) 32.293 24.229 ( 3.419 4.505 -2.314) 6.111 24.475 ( 1.774 5.100 -7.647) 9.362 ======================= 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 7.23e-05 7.23e-05 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| 1.663 ( 3.727 18.148 14.058) 23.256 1.776 ( -0.448 21.222 13.316) 25.058 2.672 ( -0.537 24.091 4.909) 24.592 2.980 ( 4.310 -9.067 6.937) 12.203 3.267 ( -3.207 -13.305 5.415) 14.719 3.636 ( -1.395 8.800 -0.155) 8.911 4.075 ( 3.314 1.382 -5.005) 6.160 4.382 ( -2.223 7.187 -1.658) 7.703 4.655 ( -2.215 2.846 4.860) 6.052 4.820 ( 1.056 2.421 5.973) 6.531 5.308 ( -0.491 -5.289 -1.271) 5.462 5.569 ( 1.348 -3.426 6.672) 7.621 6.234 ( -0.401 8.749 -1.644) 8.911 7.362 ( 1.101 12.393 8.538) 15.090 8.069 ( -5.774 5.589 0.370) 8.044 8.255 ( 1.244 -6.381 0.303) 6.508 8.469 ( 10.081 10.693 1.762) 14.801 8.877 ( -5.509 10.276 5.759) 13.005 9.742 ( 5.564 3.560 -2.513) 7.067 9.954 ( 9.613 13.099 14.820) 21.991 10.319 ( -7.850 -9.174 0.600) 12.089 11.201 ( 1.182 -20.572 0.106) 20.607 12.627 ( -1.940 12.461 -0.269) 12.614 13.131 ( 2.045 5.878 -8.975) 10.922 13.814 ( 6.837 0.114 -5.267) 8.632 14.786 ( -2.938 -4.105 -3.696) 6.256 15.038 ( 3.573 -14.765 -1.634) 15.279 15.601 ( 0.255 -3.767 -7.685) 8.563 16.177 ( -13.538 -6.255 11.916) 19.090 19.558 ( -22.328 2.113 -28.744) 36.459 19.635 ( 7.279 -2.038 -1.542) 7.715 20.286 ( 0.788 5.927 -5.362) 8.031 21.052 ( 3.037 -1.198 10.620) 11.110 21.191 ( 12.301 -6.803 15.638) 21.027 24.349 ( 0.494 3.854 -1.458) 4.150 24.538 ( 0.839 -0.174 -2.948) 3.070 ======================= 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 7.23e-05 7.23e-05 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| 1.819 ( 1.526 19.108 12.412) 22.836 1.840 ( 10.153 15.901 14.968) 24.082 2.772 ( 9.006 18.479 4.263) 20.994 3.124 ( 7.727 -10.086 8.333) 15.194 3.252 ( 0.552 -13.840 2.814) 14.134 3.644 ( 2.905 10.612 1.669) 11.128 4.017 ( -7.251 2.618 -2.232) 8.026 4.410 ( 4.701 7.080 -3.019) 9.018 4.661 ( 1.118 0.764 1.210) 1.816 4.806 ( -3.532 2.200 5.622) 6.994 5.347 ( 4.090 -2.580 0.390) 4.852 5.704 ( 9.494 -6.098 5.066) 12.369 6.226 ( 0.054 7.639 -1.902) 7.872 7.353 ( -4.131 12.844 10.606) 17.161 7.969 ( -3.121 4.225 -2.550) 5.838 8.330 ( 3.941 -6.641 6.292) 9.961 8.605 ( 2.885 20.947 1.589) 21.205 8.790 ( -4.162 11.963 5.667) 13.877 9.709 ( -6.968 -0.930 1.792) 7.254 10.284 ( 15.950 -2.220 17.041) 23.446 10.371 ( 14.555 0.468 -3.006) 14.870 11.312 ( 9.672 -19.815 1.749) 22.119 12.553 ( -5.192 12.453 -2.224) 13.674 13.181 ( 4.536 3.833 -7.356) 9.454 13.815 ( -6.173 1.801 0.774) 6.477 14.690 ( -6.256 -4.251 -6.563) 10.013 15.075 ( 0.897 -15.635 1.231) 15.709 15.533 ( -4.960 -1.150 -7.295) 8.896 16.150 ( 9.877 -2.474 -0.543) 10.197 19.052 ( -18.038 2.218 -18.036) 25.604 19.690 ( -2.171 -0.423 -4.529) 5.040 20.223 ( -5.765 6.572 -6.720) 11.027 20.841 ( -17.556 1.301 5.460) 18.432 21.795 ( 32.850 -16.342 16.253) 40.129 24.318 ( -3.561 4.594 -1.339) 5.965 24.541 ( 0.220 -1.524 -2.480) 2.919 ======================= 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 7.23e-05 7.23e-05 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| 1.901 ( 4.893 16.532 9.483) 19.677 2.109 ( 13.431 13.277 11.849) 22.295 2.983 ( 9.698 4.181 2.021) 10.753 3.219 ( -1.306 -9.870 7.369) 12.386 3.343 ( 8.459 -11.416 -1.983) 14.346 3.756 ( 1.402 1.045 4.551) 4.875 3.883 ( 1.597 15.348 2.803) 15.683 4.480 ( 1.287 7.903 -6.270) 10.170 4.678 ( 0.657 0.356 -2.895) 2.990 4.749 ( -1.887 -1.282 6.047) 6.463 5.442 ( 4.823 2.124 1.813) 5.573 5.886 ( 5.956 -7.587 3.388) 10.223 6.248 ( 3.560 5.328 -2.597) 6.915 7.262 ( -7.230 10.814 11.459) 17.336 7.917 ( -2.451 4.519 -1.213) 5.282 8.409 ( 1.686 -3.396 11.867) 12.458 8.594 ( -3.363 23.760 -3.262) 24.218 8.745 ( -2.339 15.524 8.711) 17.954 9.619 ( 0.154 -5.009 -0.208) 5.016 10.542 ( 11.397 -9.095 -4.010) 15.123 10.804 ( 21.529 5.760 17.561) 28.374 11.562 ( 13.914 -16.524 1.041) 21.627 12.420 ( -7.196 13.368 -2.662) 15.413 13.246 ( 2.015 0.120 -5.725) 6.071 13.632 ( -10.303 8.939 6.470) 15.097 14.511 ( -9.909 -7.236 -7.147) 14.200 15.097 ( 0.884 -15.567 1.688) 15.683 15.406 ( -5.773 3.100 -5.730) 8.705 16.513 ( 26.710 -1.665 -11.646) 29.186 18.809 ( -4.028 -2.297 -8.013) 9.258 19.544 ( -11.340 1.512 -2.888) 11.799 20.037 ( -10.632 3.539 -9.108) 14.440 20.473 ( -19.978 3.931 6.392) 21.341 22.431 ( 27.613 -19.525 11.386) 35.684 24.200 ( -7.902 4.220 -3.280) 9.540 24.538 ( -0.019 -1.828 -1.460) 2.340 ======================= 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 7.23e-05 7.23e-05 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| 2.064 ( 9.741 11.181 5.838) 15.936 2.406 ( 14.056 10.616 8.593) 19.599 3.108 ( 2.414 -1.712 -0.728) 3.048 3.146 ( -7.623 -10.287 4.852) 13.693 3.500 ( 6.237 -7.063 -1.224) 9.502 3.657 ( -3.469 -0.280 -1.012) 3.624 4.164 ( 16.576 12.264 9.330) 22.632 4.399 ( -5.426 8.111 -8.781) 13.128 4.668 ( -1.628 -3.377 -9.287) 10.015 4.793 ( 4.249 -0.557 9.553) 10.470 5.534 ( 3.765 5.879 3.000) 7.599 5.921 ( -2.601 -4.630 3.696) 6.470 6.372 ( 9.118 3.773 -3.660) 10.525 7.138 ( -7.532 8.234 11.433) 15.977 7.852 ( -4.079 4.791 0.443) 6.308 8.411 ( -5.982 -6.063 3.110) 9.068 8.515 ( -1.918 27.759 8.352) 29.052 8.734 ( -0.541 19.827 9.017) 21.788 9.746 ( 12.381 -6.246 -3.373) 14.271 10.722 ( 7.693 -8.200 -5.065) 12.332 11.209 ( 14.243 5.154 17.029) 22.791 11.778 ( 6.119 -6.311 -7.720) 11.700 12.311 ( -1.711 9.661 3.432) 10.394 13.163 ( -9.117 2.936 2.401) 9.875 13.553 ( 1.078 4.005 1.273) 4.339 14.285 ( -10.984 -11.438 -5.763) 16.873 15.101 ( -0.753 -11.711 -1.877) 11.885 15.299 ( -3.812 5.173 -1.415) 6.579 17.092 ( 33.957 -0.302 -16.775) 37.875 18.819 ( 4.841 -5.929 -0.596) 7.678 19.267 ( -14.756 3.597 -2.309) 15.363 19.800 ( -10.321 -1.444 -7.563) 12.876 20.091 ( -20.936 7.051 8.133) 23.541 22.935 ( 21.624 -18.270 7.980) 29.412 23.993 ( -11.909 0.963 -6.601) 13.650 24.536 ( 0.022 -0.612 -0.963) 1.141 ======================= 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 7.23e-05 7.23e-05 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| 2.293 ( 11.752 4.156 2.816) 12.779 2.687 ( 12.233 8.249 5.761) 15.839 2.944 ( -13.065 -6.870 2.950) 15.053 3.095 ( -3.088 1.799 1.156) 3.756 3.518 ( -1.878 -3.810 0.055) 4.248 3.692 ( 3.837 -3.403 -6.036) 7.920 4.213 ( -5.494 3.513 -11.681) 13.378 4.542 ( 6.183 7.673 -2.003) 10.056 4.589 ( 4.819 -5.095 -1.559) 7.184 4.916 ( 4.797 -0.055 12.407) 13.302 5.601 ( 2.276 7.393 3.515) 8.497 5.836 ( -6.115 -2.378 4.315) 7.853 6.561 ( 10.282 6.717 -2.775) 12.591 7.030 ( -5.862 6.018 11.143) 13.956 7.766 ( -4.474 4.573 1.122) 6.495 8.244 ( -8.619 -1.881 -3.920) 9.654 8.529 ( -0.589 23.747 16.078) 28.684 8.768 ( 1.475 21.395 9.093) 23.294 10.028 ( 14.930 -7.097 -4.910) 17.244 10.825 ( 4.025 -5.117 -2.541) 6.989 11.355 ( -4.229 2.781 2.105) 5.482 11.818 ( 4.916 11.889 -5.170) 13.865 12.360 ( 2.029 -0.918 6.652) 7.015 12.993 ( -7.823 5.996 7.179) 12.194 13.602 ( 3.222 -9.682 -2.146) 10.427 14.072 ( -8.819 -10.502 -5.484) 14.769 15.071 ( -0.685 -1.987 -4.603) 5.060 15.249 ( -1.835 0.203 2.467) 3.082 17.733 ( 34.243 2.735 -17.487) 38.547 18.912 ( -2.494 0.197 2.984) 3.894 19.035 ( -1.917 -2.205 -3.880) 4.857 19.635 ( -11.770 0.796 9.622) 15.223 19.680 ( -15.188 2.380 -0.553) 15.384 23.333 ( 17.135 -12.860 6.433) 22.369 23.705 ( -14.891 -5.767 -10.779) 19.267 24.532 ( -0.197 0.847 -1.307) 1.570 ======================= 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 7.23e-05 7.23e-05 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| 2.497 ( 6.237 -1.159 0.802) 6.394 2.670 ( -14.328 -4.313 3.037) 15.268 2.878 ( 4.548 11.838 0.682) 12.700 3.051 ( 0.870 2.798 4.915) 5.722 3.455 ( -4.275 -6.360 -4.321) 8.798 3.716 ( 0.326 -0.282 -6.018) 6.033 4.102 ( -2.565 -1.114 -12.472) 12.782 4.425 ( -5.176 -2.886 -15.376) 16.478 4.869 ( 11.037 3.134 12.788) 17.181 5.004 ( 0.349 1.053 12.551) 12.600 5.637 ( 0.021 8.112 2.513) 8.492 5.739 ( -3.145 -1.301 4.815) 5.897 6.745 ( 8.316 8.656 0.046) 12.004 6.950 ( -5.322 3.837 11.126) 12.916 7.696 ( -2.248 3.719 0.378) 4.362 8.089 ( -5.568 -0.509 -5.806) 8.060 8.569 ( 1.201 21.219 15.679) 26.410 8.811 ( 0.253 20.880 10.056) 23.177 10.202 ( 1.529 -8.571 -5.400) 10.245 10.889 ( 1.376 -0.264 1.499) 2.052 11.141 ( -10.599 4.357 -12.837) 17.207 11.977 ( 9.308 15.932 2.992) 18.693 12.328 ( -6.433 -4.009 3.001) 8.153 12.903 ( -3.128 5.379 6.622) 9.087 13.662 ( 1.734 -16.927 -0.622) 17.027 13.938 ( -1.373 -7.840 -7.626) 11.023 15.072 ( 1.489 0.229 -4.009) 4.282 15.229 ( -0.572 -0.529 3.036) 3.134 18.337 ( 30.169 6.307 -14.067) 33.880 18.723 ( -11.901 2.181 -2.051) 12.272 19.126 ( -9.289 -2.057 3.344) 10.084 19.203 ( -7.087 6.759 4.479) 10.770 19.744 ( 9.873 -7.983 10.191) 16.281 23.325 ( -18.311 -6.496 -12.277) 22.983 23.681 ( 14.429 -12.401 2.814) 19.233 24.519 ( -0.741 1.650 -2.249) 2.886 ======================= 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 7.23e-05 7.23e-05 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| 2.362 ( -14.764 6.225 5.129) 16.824 2.483 ( -10.526 1.927 -2.626) 11.018 2.948 ( 4.709 2.806 -0.434) 5.499 3.147 ( 5.402 1.806 2.401) 6.181 3.353 ( -4.269 -7.348 -6.178) 10.506 3.666 ( -3.439 -2.213 -5.023) 6.478 4.083 ( 1.794 4.969 -7.274) 8.990 4.297 ( -3.549 -4.296 -12.575) 13.754 4.948 ( -6.605 3.847 12.127) 14.335 5.061 ( 3.591 2.767 10.750) 11.666 5.596 ( -3.610 8.239 2.715) 9.396 5.767 ( 3.498 -1.638 2.886) 4.821 6.824 ( -7.643 -1.766 7.047) 10.545 6.902 ( 4.425 9.341 7.238) 12.618 7.702 ( 3.232 3.383 -1.684) 4.973 8.007 ( -1.285 2.154 -6.556) 7.019 8.645 ( 2.655 16.710 13.559) 21.682 8.821 ( -1.222 18.859 10.501) 21.620 10.065 ( -12.374 -7.614 -3.420) 14.927 10.709 ( -15.025 2.296 -10.822) 18.659 11.088 ( 1.983 4.567 -2.269) 5.472 12.054 ( -8.463 -5.209 -4.758) 11.018 12.257 ( 5.431 15.479 9.311) 18.862 12.898 ( 2.115 5.502 1.153) 6.006 13.588 ( -7.145 -5.252 -4.543) 9.964 14.064 ( 13.558 -16.733 -3.097) 21.758 15.074 ( -1.134 -5.525 -3.376) 6.573 15.265 ( 3.922 3.746 1.987) 5.776 18.364 ( -27.736 1.805 7.582) 28.811 18.741 ( -5.237 -5.026 -3.978) 8.277 18.886 ( 20.899 13.822 -6.990) 26.014 19.426 ( 15.379 2.650 -0.646) 15.619 20.044 ( 16.314 -8.464 17.184) 25.161 22.889 ( -22.355 -12.903 -17.502) 31.186 23.949 ( 11.706 -4.790 2.980) 12.994 24.495 ( -0.962 1.432 -3.507) 3.909 ======================= 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 7.23e-05 7.23e-05 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| 2.094 ( -13.144 10.849 5.499) 17.908 2.192 ( -16.608 12.292 -1.326) 20.704 2.984 ( -1.281 -5.489 -4.365) 7.129 3.200 ( -7.296 -2.714 2.001) 8.037 3.308 ( 7.187 -2.477 -5.096) 9.152 3.642 ( 2.268 -0.094 -0.369) 2.300 3.987 ( -9.813 8.547 -2.219) 13.201 4.332 ( 8.159 -3.878 -8.713) 12.551 4.815 ( -7.889 6.256 7.723) 12.689 5.075 ( -4.747 2.733 10.610) 11.940 5.523 ( -4.307 5.957 1.586) 7.520 5.835 ( 1.805 -1.601 1.843) 3.036 6.618 ( -13.414 -5.182 6.937) 15.966 7.026 ( 5.868 8.326 6.625) 12.151 7.810 ( 7.859 2.664 -2.302) 8.612 8.003 ( 1.997 4.055 -5.415) 7.053 8.684 ( -2.944 13.748 10.040) 17.277 8.850 ( 2.851 13.482 9.508) 16.742 9.788 ( -13.298 -5.195 -1.670) 14.374 10.370 ( -16.029 6.756 -11.895) 21.072 11.049 ( -6.388 2.099 1.128) 6.818 11.777 ( -15.535 -13.617 -3.708) 20.989 12.437 ( 7.911 18.765 7.374) 21.659 13.006 ( 9.333 9.862 -6.003) 14.846 13.430 ( -6.742 -1.359 -4.842) 8.411 14.370 ( 16.560 -16.467 -0.587) 23.361 15.020 ( -3.169 -7.548 -3.233) 8.801 15.371 ( 5.921 2.586 -0.160) 6.463 17.748 ( -34.515 -2.285 12.246) 36.694 18.708 ( 4.997 -4.657 -5.478) 8.756 19.321 ( 20.850 12.709 -1.883) 24.491 19.744 ( 16.309 2.558 -2.663) 16.722 20.434 ( 18.143 -5.507 20.823) 28.162 22.358 ( -27.110 -15.803 -21.462) 38.017 24.147 ( 7.678 1.110 1.862) 7.978 24.474 ( 0.112 0.110 -4.498) 4.501 ======================= 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 7.23e-05 7.23e-05 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| 1.853 ( -13.151 13.117 0.188) 18.575 1.909 ( -10.302 21.348 9.269) 25.451 2.906 ( -5.758 -3.760 -1.720) 7.089 3.023 ( -8.165 0.597 0.456) 8.199 3.429 ( 1.578 -4.167 2.200) 4.970 3.692 ( -0.097 4.059 1.815) 4.447 3.833 ( -0.411 5.525 -2.172) 5.951 4.464 ( 4.971 0.322 -7.544) 9.040 4.714 ( -2.721 4.667 6.840) 8.717 4.941 ( -10.239 2.897 8.840) 13.834 5.437 ( -4.434 1.728 0.253) 4.766 5.809 ( -5.779 -4.646 2.167) 7.725 6.379 ( -10.285 -0.139 3.145) 10.756 7.159 ( 5.946 8.585 6.570) 12.338 7.988 ( 9.887 0.953 0.519) 9.947 8.050 ( 3.838 3.857 -3.649) 6.551 8.579 ( -8.814 10.262 4.036) 14.117 8.940 ( 2.778 8.796 7.775) 12.064 9.590 ( -5.171 -1.546 -1.793) 5.687 10.053 ( -13.045 12.504 -5.530) 18.897 10.853 ( -13.265 -0.813 2.394) 13.504 11.476 ( -13.442 -17.176 -2.462) 21.949 12.571 ( 4.229 15.392 4.859) 16.685 13.170 ( 4.957 13.865 -15.929) 21.692 13.372 ( 5.548 -1.170 1.312) 5.820 14.674 ( 13.389 -12.660 0.517) 18.434 14.948 ( -3.018 -8.555 -4.026) 9.925 15.483 ( 5.564 -1.009 -2.605) 6.226 17.110 ( -32.482 -7.033 14.208) 36.144 18.916 ( 16.870 -3.992 -3.355) 17.658 19.678 ( 15.244 9.814 0.157) 18.131 20.028 ( 12.789 2.707 -3.573) 13.552 20.816 ( 14.409 -1.348 20.349) 24.970 21.725 ( -31.258 -14.776 -22.103) 41.036 24.261 ( 3.963 4.436 -0.360) 5.960 24.486 ( 1.947 -0.838 -4.071) 4.590 ======================= 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 7.23e-05 7.23e-05 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| 1.658 ( -6.091 18.199 7.556) 20.625 1.794 ( -4.456 22.661 11.418) 25.763 2.756 ( -8.036 13.433 4.423) 16.266 2.936 ( -1.038 -4.639 1.833) 5.095 3.357 ( -6.761 -9.921 6.226) 13.524 3.670 ( -1.642 7.589 1.584) 7.924 3.948 ( 9.041 2.827 -5.604) 11.006 4.457 ( -3.127 5.492 -3.735) 7.341 4.752 ( 0.683 3.300 7.216) 7.964 4.757 ( -6.235 1.272 5.229) 8.236 5.357 ( -3.491 -3.341 -1.037) 4.942 5.642 ( -9.197 -5.500 4.787) 11.737 6.261 ( -2.696 7.503 -0.236) 7.976 7.282 ( 4.732 10.241 6.919) 13.234 8.094 ( 2.147 1.400 1.601) 3.022 8.226 ( 11.229 3.320 5.017) 12.739 8.379 ( -9.592 4.226 -6.450) 12.307 8.955 ( -3.062 8.388 7.015) 11.355 9.600 ( 6.248 1.887 -3.537) 7.424 9.877 ( -3.788 15.944 5.331) 17.233 10.568 ( -15.332 -4.609 3.106) 16.309 11.264 ( -7.177 -19.540 -1.270) 20.855 12.631 ( 1.186 13.364 2.110) 13.581 13.144 ( -0.783 7.675 -11.643) 13.967 13.606 ( 13.939 2.862 -4.647) 14.969 14.834 ( -0.116 -4.122 0.337) 4.137 14.938 ( 5.792 -14.727 -4.552) 16.467 15.570 ( 3.932 -4.039 -5.290) 7.730 16.557 ( -26.424 -8.983 15.224) 31.792 19.311 ( 21.670 -3.766 -5.044) 22.566 19.876 ( 1.821 4.366 -6.384) 7.945 20.218 ( 7.140 3.891 -4.361) 9.227 20.979 ( -6.286 -1.268 4.270) 7.704 21.196 ( -8.908 -6.458 2.879) 11.374 24.320 ( 2.548 4.265 -1.896) 5.318 24.518 ( 1.851 -0.087 -3.148) 3.653 ======================= 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 7.23e-05 7.23e-05 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| 1.986 ( 3.237 11.064 8.911) 14.570 2.131 ( -3.056 10.704 13.728) 17.674 2.782 ( 5.475 -3.152 4.140) 7.553 2.884 ( 3.331 -9.094 2.939) 10.121 3.149 ( -8.544 4.309 4.559) 10.600 3.819 ( -0.147 7.177 0.286) 7.184 4.069 ( 3.120 -1.446 1.919) 3.938 4.517 ( -1.973 4.527 -2.757) 5.656 4.708 ( -2.861 1.710 4.845) 5.881 4.837 ( 0.661 -0.383 4.094) 4.164 5.204 ( 1.175 -3.471 -1.424) 3.931 5.497 ( 0.754 -2.453 5.166) 5.768 6.348 ( -0.589 2.525 -2.689) 3.735 7.585 ( 1.690 7.960 9.763) 12.710 8.055 ( 3.212 -5.910 5.222) 8.516 8.196 ( -10.204 1.317 -2.800) 10.663 8.626 ( 16.087 3.733 6.860) 17.882 9.135 ( -2.294 11.217 2.974) 11.829 9.782 ( 8.255 0.347 -2.223) 8.556 10.037 ( -11.872 -7.078 5.629) 14.924 10.355 ( 3.611 15.717 5.310) 16.978 10.785 ( 0.703 -18.751 3.188) 19.033 12.871 ( -2.142 8.351 -1.643) 8.777 13.209 ( 0.345 1.777 -6.861) 7.095 13.835 ( 5.598 1.488 -3.075) 6.558 14.641 ( -0.911 -10.294 -7.593) 12.824 14.779 ( 1.669 -3.930 0.601) 4.312 15.593 ( 1.444 0.668 -7.291) 7.462 16.095 ( -10.660 -1.886 8.084) 13.510 19.583 ( -10.513 0.369 -31.994) 33.679 19.609 ( -1.686 -0.430 0.329) 1.771 20.380 ( 2.786 2.660 -9.895) 10.619 21.011 ( 15.679 -1.991 18.971) 24.692 21.110 ( -6.189 -1.352 11.705) 13.310 24.419 ( 1.064 2.436 -1.787) 3.203 24.517 ( -0.367 -1.308 -0.793) 1.573 ======================= 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 7.23e-05 7.23e-05 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| 2.120 ( 7.206 9.141 10.341) 15.570 2.146 ( 1.468 10.450 12.258) 16.175 2.934 ( 7.996 -6.105 5.577) 11.502 2.971 ( 4.364 -7.118 3.353) 8.997 3.043 ( -2.225 3.368 0.119) 4.039 3.797 ( -2.394 2.833 1.364) 3.952 4.136 ( 3.179 7.340 6.833) 10.521 4.508 ( 2.222 1.837 -4.807) 5.605 4.675 ( -1.464 -0.041 1.225) 1.909 4.798 ( -4.384 -1.591 1.809) 5.003 5.318 ( 8.578 -0.141 0.854) 8.622 5.589 ( 6.612 -3.896 5.067) 9.196 6.327 ( -0.683 2.302 -2.586) 3.529 7.564 ( -6.205 6.513 12.112) 15.087 8.045 ( -2.774 2.985 -1.987) 4.534 8.178 ( 5.230 -6.471 7.286) 11.060 8.904 ( 8.086 5.609 12.138) 15.626 9.118 ( 0.408 17.753 0.299) 17.761 9.634 ( -14.185 -6.630 1.406) 15.721 10.102 ( 11.413 -7.538 -1.651) 13.777 10.587 ( 16.340 14.532 9.197) 23.723 10.923 ( 12.145 -17.571 5.297) 22.007 12.800 ( -4.277 8.744 -3.688) 10.409 13.212 ( 0.981 -0.258 -6.280) 6.361 13.872 ( -1.360 3.125 1.030) 3.560 14.536 ( -8.014 -9.240 -7.964) 14.596 14.820 ( 2.371 -5.022 0.934) 5.632 15.555 ( -3.292 1.200 -6.197) 7.119 16.112 ( 11.459 -0.999 -1.753) 11.635 19.079 ( -19.967 0.573 -18.588) 27.286 19.685 ( -0.802 -0.104 -6.614) 6.663 20.325 ( -6.349 2.809 -10.790) 12.830 20.867 ( -16.418 0.956 8.236) 18.392 21.554 ( 28.590 -6.385 17.584) 34.166 24.410 ( -2.920 4.212 -1.157) 5.254 24.490 ( -0.923 -3.257 -1.286) 3.621 ======================= 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 7.23e-05 7.23e-05 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| 2.213 ( 3.369 12.189 8.807) 15.410 2.313 ( 8.994 4.095 10.056) 14.099 3.031 ( 1.578 -2.547 1.359) 3.290 3.040 ( 1.275 -3.051 5.453) 6.377 3.134 ( 10.157 -6.299 -5.657) 13.223 3.736 ( -4.178 -1.105 5.125) 6.704 4.244 ( 5.969 15.492 10.043) 19.403 4.578 ( 5.497 -1.888 -4.959) 7.640 4.641 ( -2.346 -2.818 -3.401) 5.001 4.705 ( -4.355 -0.375 -1.911) 4.771 5.495 ( 8.384 2.494 2.052) 8.985 5.739 ( 6.210 -5.194 4.487) 9.256 6.329 ( 2.248 2.094 -1.395) 3.374 7.429 ( -9.501 4.690 12.506) 16.391 8.002 ( -2.183 3.123 -0.315) 3.823 8.287 ( 1.994 -5.242 10.602) 11.994 9.000 ( 0.841 7.904 9.882) 12.682 9.115 ( -1.364 22.701 0.973) 22.763 9.468 ( -1.203 -10.870 -1.649) 11.060 10.321 ( 10.802 -8.925 -1.976) 14.151 10.987 ( 20.250 11.232 11.602) 25.900 11.248 ( 17.864 -13.795 6.189) 23.403 12.693 ( -5.378 10.134 -4.505) 12.325 13.190 ( -2.694 -3.912 -4.855) 6.792 13.816 ( -3.928 8.192 3.666) 9.797 14.296 ( -13.996 -11.245 -6.910) 19.238 14.877 ( 3.044 -4.546 0.807) 5.530 15.469 ( -3.729 1.892 -5.070) 6.572 16.491 ( 27.261 -0.517 -10.949) 29.383 18.773 ( -7.498 -0.995 -9.971) 12.515 19.570 ( -8.844 0.770 -5.956) 10.690 20.080 ( -14.939 0.857 -11.305) 18.754 20.548 ( -17.383 2.433 9.977) 20.189 22.143 ( 26.739 -7.533 12.270) 30.369 24.273 ( -9.996 2.314 -3.447) 10.824 24.497 ( 1.237 -1.577 -0.439) 2.052 ======================= 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 7.23e-05 7.23e-05 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| 2.312 ( 4.755 11.931 6.320) 14.314 2.507 ( 7.905 -3.285 8.429) 12.013 3.022 ( -2.319 0.190 0.995) 2.530 3.069 ( 1.168 -1.957 -1.430) 2.691 3.333 ( 11.018 -6.840 -7.403) 14.933 3.666 ( -4.293 0.458 7.312) 8.492 4.389 ( 3.946 7.374 6.310) 10.477 4.545 ( -4.731 5.575 -5.044) 8.883 4.615 ( 0.212 -0.683 -12.369) 12.390 4.722 ( 6.092 -5.706 7.033) 10.915 5.642 ( 5.684 4.098 2.857) 7.568 5.811 ( -0.328 -4.613 4.776) 6.648 6.444 ( 9.789 2.196 -0.761) 10.061 7.270 ( -8.984 3.900 12.279) 15.707 7.944 ( -3.845 3.507 1.220) 5.346 8.245 ( -8.267 -6.594 7.362) 12.884 9.043 ( 2.014 10.765 8.845) 14.078 9.118 ( 1.255 24.850 4.153) 25.226 9.547 ( 8.832 -14.329 -3.188) 17.132 10.518 ( 9.899 -8.069 -2.106) 12.944 11.354 ( 12.161 7.792 7.798) 16.414 11.606 ( 16.690 -8.284 5.111) 19.321 12.589 ( -3.716 12.704 -1.390) 13.309 13.073 ( -7.953 -7.899 -1.219) 11.275 13.729 ( -7.358 11.820 -0.079) 13.923 14.009 ( -11.149 -14.521 -3.263) 18.596 14.936 ( 2.598 -3.824 0.370) 4.637 15.388 ( -3.344 2.552 -4.223) 5.961 17.093 ( 35.692 0.174 -16.082) 39.148 18.727 ( 3.659 -2.503 -2.408) 5.045 19.332 ( -13.164 2.096 -6.620) 14.883 19.758 ( -13.762 -1.641 -6.650) 15.373 20.212 ( -19.873 3.524 10.953) 22.963 22.657 ( 23.228 -7.414 8.315) 25.761 24.011 ( -15.268 0.580 -6.162) 16.475 24.523 ( 1.387 -0.397 -0.639) 1.578 ======================= 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 7.23e-05 7.23e-05 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| 2.418 ( 4.369 7.791 3.989) 9.782 2.617 ( 0.166 -9.741 7.767) 12.459 3.007 ( 2.358 6.898 -2.336) 7.655 3.080 ( 0.818 -1.762 -1.881) 2.704 3.485 ( 3.553 -1.123 -6.724) 7.688 3.606 ( -1.814 -2.745 2.928) 4.404 4.311 ( -7.158 5.374 -11.606) 14.656 4.440 ( -4.723 -6.526 -13.491) 15.713 4.732 ( 9.898 7.640 8.137) 14.918 4.872 ( 6.251 -3.994 12.098) 14.191 5.718 ( 0.511 3.746 4.368) 5.777 5.780 ( -2.200 -2.493 4.606) 5.681 6.675 ( 12.276 3.200 -0.547) 12.698 7.144 ( -6.366 4.061 11.925) 14.115 7.860 ( -4.883 4.596 1.195) 6.811 8.055 ( -10.347 -9.471 2.253) 14.207 9.082 ( -0.875 9.500 12.233) 15.513 9.171 ( 2.854 29.261 0.823) 29.412 9.757 ( 10.736 -19.524 0.181) 22.282 10.714 ( 10.483 -3.776 -1.359) 11.225 11.426 ( -4.828 2.957 -6.937) 8.954 11.923 ( 13.553 0.000 5.575) 14.655 12.549 ( -2.054 16.349 5.763) 17.456 12.921 ( -5.914 -12.699 4.212) 14.628 13.501 ( -11.828 0.008 -4.519) 12.661 13.890 ( -2.843 -5.897 -2.527) 7.017 14.976 ( 1.269 -3.398 -0.115) 3.629 15.327 ( -1.697 3.181 -2.888) 4.619 17.781 ( 36.922 1.438 -17.248) 40.777 18.873 ( 9.962 -2.139 3.333) 10.721 19.048 ( -13.158 1.704 -8.474) 15.744 19.559 ( -5.298 -2.907 2.781) 6.652 19.798 ( -24.362 3.735 9.519) 26.421 23.102 ( 20.078 -6.845 5.079) 21.812 23.654 ( -18.600 -0.644 -8.368) 20.406 24.542 ( 0.660 0.204 -1.420) 1.579 ======================= 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 7.23e-05 7.23e-05 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| 2.485 ( 1.001 0.410 1.154) 1.582 2.562 ( -5.367 -4.145 6.018) 9.066 3.068 ( 1.221 -0.359 1.649) 2.083 3.130 ( 6.105 8.377 -5.348) 11.664 3.408 ( -8.048 3.200 -0.101) 8.662 3.599 ( -1.043 -9.320 -8.184) 12.447 4.166 ( -2.954 5.620 -15.137) 16.415 4.329 ( -2.888 -5.650 -13.145) 14.596 4.945 ( 7.780 3.661 13.416) 15.935 5.001 ( 3.514 -1.442 13.101) 13.641 5.696 ( -1.648 -0.953 5.859) 6.161 5.768 ( -1.302 2.916 2.952) 4.349 6.862 ( 4.591 2.131 1.542) 5.291 7.075 ( -3.228 6.327 11.577) 13.583 7.764 ( -3.854 3.318 -0.214) 5.090 7.909 ( -3.709 -9.958 -2.723) 10.970 9.076 ( -2.392 11.253 11.863) 16.525 9.212 ( 0.966 25.631 0.510) 25.654 9.887 ( 0.756 -20.431 3.033) 20.668 10.884 ( 2.916 -0.146 1.989) 3.533 11.231 ( -7.099 3.270 -17.374) 19.051 12.088 ( -1.332 -1.961 2.437) 3.400 12.522 ( 1.256 19.106 8.335) 20.883 12.893 ( -0.079 -9.344 9.035) 12.998 13.371 ( 1.838 -7.830 -4.573) 9.252 13.816 ( -3.948 -3.351 -6.877) 8.609 14.982 ( -0.550 -3.605 -0.549) 3.688 15.318 ( 1.369 3.663 -1.529) 4.199 18.422 ( 29.156 2.048 -13.553) 32.217 18.779 ( -10.805 1.736 -7.865) 13.477 19.109 ( 8.366 1.109 5.903) 10.299 19.294 ( -21.715 0.960 10.745) 24.247 19.610 ( 7.126 -3.639 6.470) 10.290 23.171 ( -19.814 -5.546 -13.336) 24.519 23.550 ( 16.265 -1.924 5.363) 17.234 24.540 ( -0.525 0.436 -2.419) 2.513 ======================= 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 7.23e-05 7.23e-05 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 ( -7.992 -0.501 0.254) 8.011 2.531 ( -1.287 1.477 4.975) 5.347 3.035 ( -4.891 3.090 -3.345) 6.683 3.220 ( -9.644 -4.147 -3.659) 11.118 3.257 ( 6.732 8.516 -1.157) 10.917 3.541 ( -1.154 -8.825 -6.003) 10.735 4.154 ( 4.771 1.515 -13.365) 14.272 4.253 ( -3.289 -0.262 -7.874) 8.537 5.005 ( -3.653 1.461 12.602) 13.202 5.110 ( 3.083 1.497 11.328) 11.835 5.712 ( -1.250 1.204 5.130) 5.416 5.728 ( -0.592 0.191 2.613) 2.686 6.798 ( -10.778 -0.641 5.032) 11.912 7.093 ( 2.181 6.900 10.371) 12.646 7.759 ( 3.617 2.633 -3.525) 5.695 7.887 ( 2.055 -8.064 -5.648) 10.057 9.040 ( -4.102 9.660 10.581) 14.903 9.214 ( -0.832 23.272 1.484) 23.334 9.799 ( -9.261 -17.399 3.367) 19.995 10.729 ( -13.058 0.035 -4.792) 13.909 11.192 ( 0.990 4.242 -8.698) 9.728 11.879 ( -16.886 -6.360 0.922) 18.067 12.667 ( 7.956 19.333 8.924) 22.731 12.937 ( 4.656 -4.705 3.300) 7.396 13.513 ( 7.748 -1.028 -3.457) 8.547 13.742 ( 2.383 -11.640 -8.523) 14.622 14.952 ( -2.271 -3.700 -0.951) 4.444 15.367 ( 3.584 3.330 -1.097) 5.014 18.408 ( -29.431 2.167 9.260) 30.929 18.636 ( -5.269 -4.055 -7.309) 9.881 19.176 ( 21.276 12.014 -7.450) 25.544 19.431 ( 14.736 -2.833 2.671) 15.242 19.884 ( 17.250 -5.357 15.575) 23.850 22.687 ( -24.651 -5.501 -16.304) 30.062 23.890 ( 15.641 -1.216 4.023) 16.196 24.512 ( -1.572 0.333 -3.463) 3.817 ======================= 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 7.23e-05 7.23e-05 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| 2.229 ( -8.363 3.410 0.079) 9.032 2.469 ( -6.612 10.478 6.534) 14.007 2.901 ( -5.845 -1.025 -5.635) 8.183 3.013 ( -9.738 -10.236 -4.861) 14.941 3.397 ( 7.141 7.343 0.124) 10.244 3.564 ( 3.532 -6.739 0.664) 7.637 4.141 ( -6.717 5.270 -2.617) 8.929 4.267 ( 8.683 -2.384 -10.737) 14.013 4.918 ( -6.515 2.941 7.121) 10.090 5.122 ( -4.602 1.416 10.559) 11.605 5.611 ( -6.986 2.309 0.960) 7.420 5.769 ( -0.190 -2.844 4.795) 5.578 6.558 ( -12.246 -1.177 4.243) 13.013 7.188 ( 4.978 5.632 9.521) 12.130 7.856 ( 6.540 2.374 -3.869) 7.961 7.945 ( 4.548 -5.922 -5.994) 9.576 8.949 ( -7.587 7.258 7.460) 12.880 9.197 ( -0.983 19.291 2.682) 19.501 9.605 ( -9.272 -12.827 2.124) 15.969 10.477 ( -10.858 2.678 -4.658) 12.114 11.106 ( -8.811 3.364 -2.533) 9.766 11.507 ( -19.928 -9.720 0.994) 22.195 12.796 ( 3.635 13.218 6.400) 15.129 13.122 ( 12.243 -0.737 0.887) 12.298 13.482 ( -4.248 7.642 -11.395) 14.363 13.995 ( 18.818 -16.597 -3.223) 25.298 14.894 ( -3.226 -3.383 -1.176) 4.820 15.441 ( 3.887 2.385 -1.714) 4.872 17.726 ( -38.344 -0.237 12.701) 40.393 18.625 ( 6.122 -2.484 -6.825) 9.499 19.580 ( 17.752 11.148 -1.676) 21.029 19.740 ( 16.586 -3.620 -4.430) 17.544 20.327 ( 22.276 -3.641 21.041) 30.858 22.132 ( -27.687 -5.678 -18.269) 33.654 24.168 ( 11.568 0.668 2.503) 11.854 24.469 ( -1.631 -0.336 -4.264) 4.578 ======================= 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 7.23e-05 7.23e-05 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| 2.074 ( -7.222 6.758 0.576) 9.907 2.328 ( -8.592 16.996 10.534) 21.764 2.787 ( -5.183 -4.467 -3.505) 7.688 2.863 ( -3.491 -12.564 -2.664) 13.309 3.471 ( -2.530 5.088 5.463) 7.882 3.673 ( 7.299 -3.687 0.690) 8.206 4.012 ( -4.447 7.731 -0.424) 8.929 4.423 ( 8.741 -2.906 -7.871) 12.116 4.810 ( -5.086 3.209 4.273) 7.377 4.991 ( -9.989 1.501 8.599) 13.266 5.454 ( -8.702 0.166 -0.664) 8.729 5.697 ( -7.748 -3.844 4.269) 9.645 6.400 ( -4.248 0.840 1.585) 4.611 7.326 ( 6.770 5.995 8.523) 12.426 7.962 ( 3.117 -3.182 -1.597) 4.732 8.054 ( 9.382 -0.419 -2.997) 9.858 8.761 ( -12.649 5.147 2.036) 13.807 9.194 ( -0.213 13.630 2.469) 13.853 9.497 ( -1.182 -7.643 1.380) 7.856 10.288 ( -7.580 7.771 -0.311) 10.860 10.852 ( -15.942 1.896 0.689) 16.069 11.136 ( -17.139 -13.150 1.652) 21.665 12.862 ( 2.088 10.095 3.234) 10.804 13.297 ( 0.075 -2.660 -1.802) 3.214 13.457 ( 9.506 9.664 -10.535) 17.168 14.344 ( 16.205 -14.107 -4.187) 21.889 14.826 ( -3.162 -2.710 -1.060) 4.298 15.507 ( 3.298 1.356 -3.006) 4.664 17.023 ( -34.842 -1.860 12.668) 37.121 18.850 ( 17.785 -1.861 -5.639) 18.750 19.851 ( 9.760 5.748 3.387) 11.822 20.045 ( 15.272 -0.733 -10.293) 18.432 20.792 ( 18.159 -0.749 21.344) 28.033 21.519 ( -29.654 -5.044 -16.627) 34.369 24.348 ( 5.793 3.624 0.317) 6.840 24.445 ( 0.899 -2.589 -3.515) 4.458 ======================= 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 7.23e-05 7.23e-05 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| 1.970 ( -3.142 10.013 4.233) 11.316 2.201 ( -6.844 14.186 13.614) 20.819 2.722 ( -0.247 -3.471 0.474) 3.512 2.839 ( 0.668 -11.003 0.732) 11.047 3.335 ( -10.617 4.304 6.673) 13.257 3.793 ( 3.438 3.180 0.294) 4.692 4.000 ( 2.764 2.235 0.278) 3.565 4.540 ( 2.941 1.841 -4.735) 5.870 4.756 ( -1.782 0.344 4.702) 5.040 4.827 ( -5.730 1.985 6.366) 8.792 5.285 ( -7.401 -2.550 -1.851) 8.044 5.548 ( -6.666 -2.869 4.636) 8.612 6.362 ( -0.630 2.311 -1.092) 2.633 7.479 ( 6.241 7.269 8.225) 12.627 7.998 ( 1.685 -6.041 1.659) 6.488 8.293 ( 13.541 1.771 5.016) 14.548 8.478 ( -14.176 3.272 -5.111) 15.421 9.177 ( -2.225 10.091 2.966) 10.751 9.580 ( 8.930 -3.121 -0.668) 9.483 10.182 ( -4.242 9.652 5.871) 12.067 10.515 ( -17.000 2.434 1.432) 17.233 10.871 ( -9.610 -16.479 2.444) 19.232 12.890 ( 0.235 8.863 0.722) 8.896 13.241 ( -2.011 1.772 -6.910) 7.411 13.674 ( 11.205 3.309 -5.389) 12.866 14.584 ( 8.720 -13.307 -6.027) 17.013 14.774 ( -1.580 -1.709 -0.325) 2.350 15.558 ( 2.888 0.633 -4.930) 5.749 16.445 ( -25.784 -2.423 11.596) 28.376 19.255 ( 22.675 -1.450 -7.508) 23.930 19.941 ( -3.525 1.673 -7.130) 8.127 20.274 ( 10.033 1.401 -10.601) 14.663 20.963 ( -15.127 -0.307 1.393) 15.194 21.103 ( 3.846 -2.412 14.960) 15.633 24.399 ( 1.386 2.958 -2.803) 4.305 24.494 ( 2.780 -1.724 -0.487) 3.307 ======================= 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 7.23e-05 7.23e-05 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| 0.949 ( -2.390 0.000 23.886) 24.005 1.126 ( 9.506 0.000 27.241) 28.852 2.159 ( 8.957 0.000 49.327) 50.134 3.247 ( -1.839 0.000 -1.815) 2.584 3.360 ( 5.637 0.000 -6.598) 8.678 3.567 ( 10.728 0.000 2.166) 10.945 3.902 ( -3.771 0.000 2.459) 4.502 4.135 ( 0.293 0.000 -7.414) 7.419 4.742 ( -11.058 0.000 11.305) 15.814 4.912 ( 4.673 0.000 2.180) 5.157 5.519 ( 3.494 0.000 7.294) 8.088 5.592 ( 5.631 0.000 10.556) 11.964 5.872 ( -15.282 0.000 7.864) 17.187 6.942 ( -3.800 0.000 12.114) 12.696 7.467 ( 1.666 0.000 -13.416) 13.519 7.858 ( -3.572 0.000 6.774) 7.658 8.355 ( -6.212 0.000 -2.450) 6.678 8.861 ( 2.791 0.000 22.394) 22.567 9.263 ( 9.251 0.000 -8.959) 12.878 10.552 ( 34.596 0.000 0.147) 34.597 10.653 ( -3.686 0.000 3.288) 4.939 11.099 ( -2.390 0.000 -14.057) 14.258 11.996 ( 7.034 0.000 -11.000) 13.056 12.602 ( 3.761 0.000 -10.248) 10.916 14.027 ( 15.379 0.000 5.275) 16.259 15.016 ( -0.099 0.000 -1.000) 1.005 15.033 ( -1.193 0.000 4.754) 4.901 15.833 ( 2.259 0.000 -17.005) 17.154 18.199 (-102.187 0.000 0.598) 102.189 18.518 ( 13.740 0.000 -0.044) 13.740 19.808 ( 0.746 0.000 0.990) 1.239 19.934 ( -0.967 0.000 -0.122) 0.974 21.208 ( -16.100 0.000 8.658) 18.280 22.153 ( 77.779 0.000 -4.194) 77.892 23.670 ( 4.190 0.000 2.091) 4.682 24.135 ( -2.051 0.000 -3.251) 3.844 ======================= 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 7.23e-05 7.23e-05 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| 1.123 ( 13.393 0.000 20.613) 24.582 1.493 ( 19.059 0.000 20.651) 28.102 2.587 ( 22.514 0.000 45.322) 50.606 3.238 ( 0.621 0.000 -2.467) 2.544 3.438 ( 4.108 0.000 -10.508) 11.283 3.721 ( 0.667 0.000 -3.539) 3.601 3.937 ( 9.358 0.000 13.315) 16.275 4.098 ( -1.965 0.000 -5.970) 6.285 4.524 ( -13.342 0.000 9.668) 16.477 4.887 ( -4.406 0.000 -0.070) 4.407 5.587 ( 1.418 0.000 7.639) 7.770 5.650 ( -0.285 0.000 10.439) 10.443 6.030 ( 18.299 0.000 -3.655) 18.660 6.887 ( -4.354 0.000 12.057) 12.819 7.490 ( 3.466 0.000 -12.476) 12.949 7.793 ( -3.940 0.000 4.723) 6.151 8.177 ( -9.881 0.000 -4.055) 10.681 8.936 ( -0.955 0.000 27.367) 27.383 9.478 ( 12.607 0.000 -5.529) 13.766 10.610 ( -1.111 0.000 2.871) 3.078 11.034 ( 0.022 0.000 -17.977) 17.977 11.191 ( 29.914 0.000 -15.530) 33.705 12.019 ( -2.652 0.000 -8.996) 9.379 12.735 ( 11.662 0.000 -8.735) 14.571 14.225 ( -2.160 0.000 4.910) 5.363 14.954 ( -8.407 0.000 4.335) 9.459 15.007 ( -0.603 0.000 -3.665) 3.715 15.808 ( -0.990 0.000 -13.772) 13.808 16.671 ( -44.126 0.000 27.418) 51.950 18.818 ( 15.708 0.000 6.567) 17.025 19.747 ( -7.122 0.000 0.821) 7.170 19.882 ( -4.711 0.000 -0.246) 4.718 20.794 ( -25.994 0.000 1.752) 26.053 23.376 ( 46.275 0.000 -24.509) 52.365 23.821 ( 9.691 0.000 3.247) 10.221 24.053 ( -5.392 0.000 -4.850) 7.252 ======================= 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 7.23e-05 7.23e-05 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| 1.506 ( 19.944 0.000 16.514) 25.893 1.902 ( 17.602 0.000 17.225) 24.628 3.188 ( 18.644 0.000 23.948) 30.350 3.234 ( 7.573 0.000 8.040) 11.046 3.463 ( 0.727 0.000 -12.119) 12.141 3.660 ( -4.121 0.000 -4.048) 5.777 4.062 ( 0.650 0.000 -6.775) 6.806 4.227 ( 11.795 0.000 11.663) 16.588 4.271 ( -11.379 0.000 11.343) 16.067 4.821 ( -2.197 0.000 -0.794) 2.336 5.609 ( -0.762 0.000 7.244) 7.284 5.685 ( 1.328 0.000 9.045) 9.142 6.290 ( 8.419 0.000 -7.929) 11.565 6.837 ( -3.143 0.000 12.308) 12.703 7.529 ( 2.583 0.000 -10.382) 10.699 7.734 ( -3.092 0.000 5.645) 6.437 7.973 ( -9.595 0.000 -3.736) 10.297 8.957 ( -3.350 0.000 31.105) 31.285 9.704 ( 10.902 0.000 -1.033) 10.951 10.634 ( 3.605 0.000 -1.399) 3.867 11.028 ( 3.520 0.000 -18.772) 19.099 11.645 ( 19.739 0.000 -17.203) 26.183 11.865 ( -10.301 0.000 -5.295) 11.583 13.008 ( 17.614 0.000 -8.668) 19.631 13.909 ( -27.223 0.000 31.814) 41.872 14.837 ( -2.937 0.000 0.355) 2.958 14.949 ( -4.701 0.000 -8.860) 10.030 15.748 ( -2.065 0.000 -7.875) 8.142 16.501 ( 12.548 0.000 3.142) 12.935 19.159 ( 16.172 0.000 13.819) 21.272 19.535 ( -14.257 0.000 -0.047) 14.257 19.751 ( -8.276 0.000 -0.038) 8.276 20.244 ( -27.967 0.000 -4.192) 28.280 23.885 ( -3.667 0.000 -4.747) 5.998 23.968 ( 16.026 0.000 -22.079) 27.282 24.034 ( 10.455 0.000 2.675) 10.792 ======================= 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 7.23e-05 7.23e-05 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| 1.952 ( 21.264 0.000 14.098) 25.513 2.266 ( 15.618 0.000 15.160) 21.766 3.097 ( -9.373 0.000 2.285) 9.648 3.401 ( -4.773 0.000 -9.747) 10.853 3.547 ( -6.820 0.000 -3.845) 7.829 3.824 ( 25.933 0.000 18.018) 31.578 4.011 ( -11.551 0.000 2.077) 11.736 4.107 ( 5.683 0.000 -8.810) 10.484 4.559 ( 14.104 0.000 15.535) 20.983 4.782 ( -1.710 0.000 -1.373) 2.193 5.595 ( -2.020 0.000 5.925) 6.260 5.725 ( 0.036 0.000 7.724) 7.725 6.348 ( 0.537 0.000 -5.799) 5.824 6.841 ( 0.998 0.000 14.079) 14.115 7.529 ( -0.660 0.000 -6.566) 6.599 7.698 ( -2.317 0.000 8.924) 9.220 7.792 ( -7.817 0.000 -2.463) 8.196 8.956 ( -3.899 0.000 33.284) 33.512 9.906 ( 9.751 0.000 -0.205) 9.753 10.741 ( 7.243 0.000 -3.514) 8.050 11.079 ( 5.604 0.000 -17.769) 18.632 11.571 ( -15.296 0.000 -8.992) 17.743 11.929 ( 9.657 0.000 -8.677) 12.983 13.372 ( 21.061 0.000 -10.283) 23.438 13.527 ( -17.042 0.000 32.958) 37.104 14.759 ( -12.004 0.000 -13.680) 18.199 14.796 ( -2.045 0.000 2.123) 2.948 15.705 ( -1.169 0.000 -2.272) 2.555 16.900 ( 25.269 0.000 -7.993) 26.503 19.200 ( -18.687 0.000 -0.043) 18.687 19.449 ( 1.196 0.000 17.842) 17.882 19.568 ( -9.886 0.000 0.363) 9.893 19.784 ( -8.459 0.000 -7.542) 11.333 23.710 ( -8.939 0.000 -5.165) 10.324 24.193 ( 9.165 0.000 -17.846) 20.062 24.223 ( 7.811 0.000 1.222) 7.906 ======================= 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 7.23e-05 7.23e-05 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| 2.394 ( 19.992 0.000 13.060) 23.880 2.569 ( 9.402 0.000 13.990) 16.856 2.893 ( -9.081 0.000 3.136) 9.607 3.212 ( -13.914 0.000 2.679) 14.169 3.382 ( -7.043 0.000 -12.371) 14.236 3.847 ( -5.024 0.000 -2.506) 5.615 4.129 ( 2.353 0.000 -4.372) 4.965 4.308 ( 13.203 0.000 -5.020) 14.125 4.777 ( 2.990 0.000 3.783) 4.822 4.838 ( 10.242 0.000 13.670) 17.081 5.562 ( -2.378 0.000 4.206) 4.832 5.679 ( -7.045 0.000 6.796) 9.788 6.358 ( 2.798 0.000 -0.480) 2.839 6.949 ( 6.383 0.000 15.823) 17.062 7.484 ( -2.365 0.000 -3.633) 4.335 7.663 ( -4.602 0.000 -0.652) 4.648 7.684 ( -1.553 0.000 13.167) 13.258 8.963 ( -3.108 0.000 34.086) 34.228 10.082 ( 8.065 0.000 -2.229) 8.367 10.876 ( 6.457 0.000 -3.347) 7.273 11.157 ( 5.779 0.000 -14.976) 16.052 11.214 ( -18.407 0.000 -10.235) 21.061 12.000 ( -0.707 0.000 -4.269) 4.327 13.389 ( -4.581 0.000 24.131) 24.562 13.763 ( 19.981 0.000 -14.951) 24.955 14.440 ( -15.564 0.000 -12.478) 19.949 14.767 ( -1.425 0.000 4.961) 5.161 15.681 ( -1.309 0.000 -0.524) 1.410 17.397 ( 26.176 0.000 -8.951) 27.664 18.851 ( -15.069 0.000 -1.165) 15.114 19.163 ( -19.012 0.000 -3.364) 19.307 19.380 ( -8.745 0.000 0.920) 8.793 20.004 ( 16.898 0.000 15.202) 22.730 23.530 ( -7.810 0.000 -7.547) 10.861 24.272 ( 3.195 0.000 -15.028) 15.364 24.333 ( 3.054 0.000 -0.504) 3.096 ======================= 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 7.23e-05 7.23e-05 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| 2.476 ( -16.576 0.000 9.263) 18.989 2.717 ( -0.923 0.000 16.353) 16.379 2.955 ( -2.093 0.000 3.288) 3.897 2.985 ( 12.247 0.000 7.485) 14.353 3.233 ( -4.876 0.000 -14.985) 15.758 3.784 ( -0.934 0.000 -4.028) 4.135 4.014 ( -12.196 0.000 -11.056) 16.462 4.405 ( -0.099 0.000 -9.514) 9.515 4.933 ( 8.839 0.000 6.108) 10.745 5.005 ( 3.329 0.000 12.347) 12.788 5.514 ( -9.734 0.000 10.066) 14.002 5.528 ( -1.809 0.000 3.128) 3.614 6.470 ( 7.691 0.000 3.240) 8.346 7.141 ( 8.416 0.000 16.450) 18.478 7.436 ( -1.196 0.000 -4.557) 4.712 7.621 ( 0.550 0.000 1.765) 1.849 7.705 ( 0.670 0.000 16.217) 16.231 8.990 ( -2.051 0.000 33.752) 33.814 10.192 ( 2.976 0.000 -3.500) 4.594 10.802 ( -20.748 0.000 -13.024) 24.497 10.954 ( 2.106 0.000 -4.104) 4.613 11.229 ( 4.091 0.000 -10.360) 11.139 11.913 ( -6.316 0.000 -2.845) 6.927 13.405 ( 0.277 0.000 17.800) 17.802 13.855 ( -11.783 0.000 -23.793) 26.551 14.338 ( 13.031 0.000 -4.456) 13.771 14.772 ( 0.706 0.000 6.927) 6.963 15.645 ( -1.941 0.000 -1.434) 2.413 17.863 ( 22.064 0.000 -4.723) 22.564 18.608 ( -10.417 0.000 -8.625) 13.524 18.859 ( -8.074 0.000 -1.594) 8.230 19.254 ( -3.516 0.000 1.358) 3.769 20.377 ( 16.214 0.000 20.804) 26.376 23.362 ( -7.304 0.000 -13.171) 15.060 24.267 ( -0.129 0.000 -12.337) 12.337 24.336 ( -2.511 0.000 -2.082) 3.262 ======================= 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 7.23e-05 7.23e-05 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| 2.126 ( -20.187 0.000 8.411) 21.869 2.400 ( -23.481 0.000 14.916) 27.819 3.123 ( -1.926 0.000 -11.562) 11.721 3.172 ( 10.660 0.000 -0.470) 10.670 3.224 ( 7.642 0.000 8.124) 11.154 3.637 ( -21.427 0.000 -8.527) 23.062 3.799 ( 3.436 0.000 -1.259) 3.659 4.296 ( -7.878 0.000 -10.036) 12.758 5.037 ( -2.161 0.000 12.339) 12.527 5.086 ( 5.369 0.000 4.359) 6.916 5.392 ( -5.233 0.000 13.259) 14.254 5.498 ( -2.251 0.000 3.089) 3.822 6.648 ( 8.672 0.000 4.712) 9.869 7.321 ( 5.628 0.000 16.655) 17.580 7.424 ( 1.412 0.000 -7.788) 7.915 7.698 ( 6.747 0.000 2.609) 7.234 7.787 ( 3.567 0.000 14.931) 15.351 9.025 ( -2.346 0.000 31.375) 31.463 10.149 ( -7.286 0.000 -3.174) 7.947 10.342 ( -22.503 0.000 -13.325) 26.152 10.954 ( -0.615 0.000 -4.095) 4.141 11.260 ( 1.107 0.000 -7.581) 7.661 11.773 ( -6.222 0.000 -5.168) 8.089 13.456 ( 0.810 0.000 16.450) 16.470 13.476 ( -18.022 0.000 -19.107) 26.265 14.653 ( 16.521 0.000 -7.662) 18.211 14.825 ( 2.740 0.000 7.770) 8.239 15.609 ( -0.611 0.000 -4.024) 4.071 18.228 ( 15.173 0.000 4.036) 15.700 18.363 ( -10.109 0.000 -15.354) 18.383 18.891 ( 9.355 0.000 2.218) 9.614 19.277 ( 5.934 0.000 0.843) 5.994 20.727 ( 14.101 0.000 23.382) 27.305 23.156 ( -10.231 0.000 -23.658) 25.775 24.226 ( -1.318 0.000 -8.362) 8.465 24.229 ( -7.466 0.000 -3.159) 8.107 ======================= 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 7.23e-05 7.23e-05 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| 1.733 ( -21.265 0.000 8.334) 22.840 1.951 ( -25.155 0.000 15.730) 29.669 2.995 ( -29.418 0.000 5.743) 29.974 3.082 ( 0.767 0.000 -7.500) 7.539 3.309 ( 4.236 0.000 -7.575) 8.679 3.465 ( 1.547 0.000 6.029) 6.224 3.905 ( 5.867 0.000 3.510) 6.837 4.117 ( -5.794 0.000 -11.582) 12.951 5.008 ( -3.081 0.000 13.720) 14.062 5.145 ( -1.891 0.000 5.483) 5.800 5.359 ( -0.574 0.000 12.569) 12.582 5.448 ( -3.378 0.000 3.423) 4.809 6.809 ( 6.025 0.000 5.916) 8.444 7.435 ( 1.907 0.000 13.397) 13.532 7.448 ( 2.870 0.000 -11.034) 11.401 7.871 ( 0.947 0.000 8.404) 8.457 7.891 ( 11.978 0.000 1.198) 12.037 9.001 ( -7.775 0.000 21.776) 23.123 9.893 ( -17.060 0.000 -2.302) 17.214 9.900 ( -18.071 0.000 -1.274) 18.116 10.917 ( -2.426 0.000 -4.021) 4.696 11.247 ( -0.460 0.000 -6.617) 6.633 11.674 ( -1.515 0.000 -8.240) 8.378 13.105 ( -15.163 0.000 -16.174) 22.171 13.513 ( 1.193 0.000 17.962) 18.002 14.899 ( 9.434 0.000 -5.534) 10.938 14.904 ( 3.203 0.000 7.731) 8.368 15.622 ( 3.740 0.000 -9.398) 10.115 18.188 ( -3.578 0.000 -14.852) 15.277 18.529 ( 15.304 0.000 15.666) 21.901 19.162 ( 16.114 0.000 1.267) 16.163 19.471 ( 12.372 0.000 0.416) 12.379 21.034 ( 11.412 0.000 23.923) 26.505 22.805 ( -19.724 0.000 -38.231) 43.019 24.040 ( -10.452 0.000 -3.454) 11.008 24.188 ( -0.999 0.000 -4.092) 4.212 ======================= 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 7.23e-05 7.23e-05 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| 1.347 ( -19.296 0.000 11.497) 22.462 1.496 ( -24.206 0.000 17.767) 30.027 2.426 ( -28.575 0.000 22.704) 36.497 3.125 ( 4.538 0.000 -1.572) 4.802 3.348 ( 2.858 0.000 -11.133) 11.495 3.440 ( -5.255 0.000 4.670) 7.030 3.991 ( 1.271 0.000 4.031) 4.227 4.062 ( 2.310 0.000 -10.395) 10.649 4.980 ( -3.673 0.000 14.561) 15.017 5.030 ( -9.953 0.000 8.185) 12.886 5.403 ( -1.301 0.000 4.263) 4.457 5.419 ( 2.936 0.000 10.286) 10.697 6.895 ( 0.475 0.000 5.991) 6.010 7.339 ( -18.162 0.000 -6.859) 19.414 7.474 ( 2.345 0.000 -13.272) 13.477 7.863 ( -1.305 0.000 8.606) 8.704 8.151 ( 13.455 0.000 -0.746) 13.475 8.815 ( -11.282 0.000 13.140) 17.319 9.523 ( -18.072 0.000 -3.383) 18.386 9.735 ( -0.376 0.000 22.515) 22.518 10.837 ( -4.647 0.000 -2.977) 5.519 11.218 ( -0.936 0.000 -6.928) 6.991 11.693 ( 5.563 0.000 -9.900) 11.356 12.815 ( -10.558 0.000 -14.067) 17.588 13.595 ( 3.109 0.000 19.742) 19.985 14.977 ( 2.237 0.000 7.099) 7.443 15.003 ( 2.513 0.000 -1.487) 2.920 15.705 ( 6.831 0.000 -15.417) 16.863 18.163 ( 4.066 0.000 -11.323) 12.031 18.995 ( 29.024 0.000 23.690) 37.465 19.478 ( 14.706 0.000 0.442) 14.712 19.727 ( 12.969 0.000 2.961) 13.303 21.272 ( 6.784 0.000 21.772) 22.804 22.129 ( -40.650 0.000 -51.013) 65.228 23.824 ( -9.980 0.000 -2.701) 10.339 24.169 ( -0.335 0.000 -1.712) 1.745 ======================= 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 7.23e-05 7.23e-05 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| 1.080 ( -9.950 0.000 22.480) 24.584 1.112 ( -18.003 0.000 21.400) 27.966 2.073 ( -12.171 0.000 40.685) 42.466 3.242 ( 6.748 0.000 0.886) 6.806 3.328 ( -5.749 0.000 0.752) 5.798 3.404 ( 5.980 0.000 -8.561) 10.443 3.974 ( -3.257 0.000 2.764) 4.272 4.111 ( 3.661 0.000 -8.332) 9.101 4.865 ( -5.925 0.000 9.999) 11.623 4.902 ( -7.690 0.000 13.049) 15.146 5.434 ( 2.947 0.000 6.138) 6.809 5.498 ( 2.646 0.000 9.802) 10.153 6.531 ( -41.741 0.000 -11.710) 43.353 6.987 ( -4.619 0.000 10.526) 11.495 7.476 ( 1.073 0.000 -13.935) 13.977 7.883 ( -0.657 0.000 10.710) 10.730 8.365 ( 6.546 0.000 -1.314) 6.677 8.756 ( 1.298 0.000 18.068) 18.115 9.244 ( -6.833 0.000 -7.273) 9.979 9.969 ( 18.897 0.000 22.728) 29.558 10.735 ( -4.943 0.000 0.095) 4.944 11.172 ( -1.983 0.000 -9.438) 9.644 11.834 ( 10.270 0.000 -10.633) 14.783 12.635 ( -4.313 0.000 -12.260) 12.997 13.748 ( 8.843 0.000 17.469) 19.580 15.020 ( -0.020 0.000 -0.148) 0.149 15.021 ( 0.784 0.000 6.081) 6.132 15.794 ( 5.576 0.000 -17.774) 18.628 18.287 ( 10.084 0.000 -6.106) 11.789 19.547 ( 2.383 0.000 -7.332) 7.709 19.714 ( 8.549 0.000 0.566) 8.568 20.028 ( 5.186 0.000 3.736) 6.391 21.130 ( -19.633 0.000 -16.931) 25.926 21.365 ( -2.765 0.000 16.265) 16.498 23.670 ( -4.418 0.000 -0.583) 4.456 24.160 ( -0.343 0.000 -1.750) 1.784 ======================= 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 7.23e-05 7.23e-05 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| 1.221 ( -1.589 21.152 18.922) 28.425 1.281 ( 8.245 13.949 24.454) 29.335 2.239 ( 6.423 8.428 43.959) 45.218 3.272 ( -2.201 2.632 -2.349) 4.158 3.392 ( 6.962 0.894 0.702) 7.054 3.572 ( 6.054 1.743 -2.969) 6.965 3.888 ( -1.385 -1.779 3.145) 3.870 4.126 ( -0.117 0.496 -5.743) 5.765 4.797 ( -8.360 4.463 9.870) 13.683 4.851 ( 2.119 -4.604 4.880) 7.035 5.492 ( 1.415 -1.322 6.474) 6.757 5.701 ( 4.735 6.738 8.255) 11.661 5.878 ( -9.905 2.098 7.274) 12.467 7.036 ( -3.432 9.159 12.231) 15.661 7.613 ( 1.338 11.002 -17.102) 20.379 7.901 ( -2.556 4.427 6.628) 8.370 8.478 ( -8.354 10.516 -1.796) 13.550 8.791 ( 2.978 -5.199 18.515) 19.460 9.368 ( 9.614 8.396 -5.453) 13.880 10.289 ( 22.852 -12.411 8.883) 27.480 10.639 ( -5.669 -3.676 3.528) 7.623 11.441 ( 5.791 16.332 -18.045) 25.018 12.034 ( 6.268 6.835 -13.984) 16.779 12.601 ( 3.649 0.644 -8.856) 9.600 13.949 ( 12.105 -6.561 5.828) 14.951 14.914 ( -3.190 -5.285 -0.005) 6.173 15.126 ( 1.617 4.370 2.030) 5.083 15.761 ( 1.857 -7.106 -17.057) 18.571 17.512 ( -47.439 -39.091 21.076) 64.982 18.853 ( -23.292 11.480 -16.741) 30.897 19.764 ( 1.266 -3.440 0.832) 3.759 19.986 ( -0.389 4.121 -1.705) 4.477 21.216 ( -14.816 0.782 9.003) 17.354 21.908 ( 57.321 -15.830 5.037) 59.680 23.986 ( 7.931 19.414 -7.673) 22.331 24.178 ( -2.238 4.608 -3.063) 5.969 ======================= 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 7.23e-05 7.23e-05 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| 1.302 ( 7.204 15.394 18.262) 24.947 1.616 ( 16.831 10.849 19.697) 28.088 2.628 ( 21.703 4.131 39.509) 45.266 3.244 ( -0.288 2.081 -2.420) 3.205 3.515 ( 4.944 5.032 -6.363) 9.500 3.653 ( 2.366 -6.327 -2.167) 7.094 3.883 ( -0.585 -1.871 6.089) 6.397 4.151 ( 4.756 2.808 1.141) 5.639 4.608 ( -12.104 7.129 6.519) 15.487 4.854 ( -2.208 -2.850 1.686) 3.980 5.512 ( -0.305 -2.848 7.230) 7.777 5.810 ( 1.745 9.766 6.541) 11.883 5.985 ( 15.225 -3.222 -0.237) 15.564 6.991 ( -3.901 10.199 13.016) 16.990 7.610 ( 1.803 9.144 -13.394) 16.317 7.863 ( -2.402 7.233 4.002) 8.608 8.277 ( -10.366 9.058 -2.638) 14.016 8.882 ( 1.058 -3.953 23.530) 23.884 9.563 ( 9.755 6.751 -2.642) 12.154 10.561 ( -1.582 -6.990 -1.344) 7.291 10.726 ( 18.212 -9.889 0.289) 20.726 11.571 ( 11.949 15.086 -20.593) 28.185 12.041 ( -2.957 4.207 -11.001) 12.143 12.734 ( 11.589 0.824 -8.149) 14.191 14.095 ( -2.896 -10.521 7.423) 13.198 14.821 ( -6.256 -7.202 -0.367) 9.547 15.130 ( -1.697 6.309 -1.365) 6.674 15.730 ( -1.130 -7.874 -13.661) 15.808 16.590 ( -32.381 -7.104 24.393) 41.158 18.791 ( 9.200 -2.363 0.406) 9.507 19.721 ( -5.762 -2.010 -0.291) 6.109 19.927 ( -5.485 3.677 -0.847) 6.658 20.823 ( -24.793 2.647 2.887) 25.101 22.910 ( 40.702 -28.076 -5.658) 49.769 24.089 ( -4.918 3.520 -4.057) 7.283 24.164 ( 9.585 17.049 -8.723) 21.416 ======================= 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 7.23e-05 7.23e-05 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| 1.573 ( 15.635 6.929 15.118) 22.826 1.982 ( 15.721 6.909 17.899) 24.805 3.166 ( 12.919 -4.706 9.421) 16.668 3.260 ( 11.752 7.005 14.715) 20.093 3.535 ( -1.072 4.562 -7.242) 8.626 3.654 ( -0.952 -1.960 -4.844) 5.311 3.916 ( 3.910 -6.299 1.783) 7.626 4.246 ( -5.723 -1.568 10.951) 12.455 4.439 ( 2.113 12.866 3.273) 13.443 4.817 ( -1.475 -0.532 0.081) 1.570 5.520 ( -0.513 -3.095 7.584) 8.207 5.846 ( 0.721 9.355 5.263) 10.758 6.231 ( 8.707 -4.966 -5.336) 11.355 6.951 ( -2.921 10.819 13.818) 17.791 7.616 ( 1.246 6.955 -9.090) 11.514 7.817 ( -3.488 8.650 3.685) 10.028 8.084 ( -8.143 10.432 -1.490) 13.318 8.937 ( -1.477 -1.587 27.885) 27.969 9.726 ( 7.483 1.249 0.088) 7.587 10.586 ( 5.187 -5.224 -6.923) 10.105 10.999 ( 10.651 0.959 -4.293) 11.523 11.772 ( 6.818 3.896 -17.750) 19.409 11.905 ( -3.157 7.749 -8.506) 11.932 12.998 ( 16.266 -0.230 -6.875) 17.661 13.838 ( -22.224 -5.679 26.771) 35.254 14.711 ( -4.297 -8.250 -3.240) 9.850 15.061 ( -4.521 6.738 -6.401) 10.335 15.668 ( -2.144 -7.930 -6.729) 10.619 16.486 ( 12.450 -1.331 3.212) 12.927 19.040 ( 13.124 -9.813 8.230) 18.338 19.528 ( -13.757 -0.588 -0.306) 13.773 19.789 ( -7.225 2.817 -1.322) 7.866 20.308 ( -26.354 5.751 -0.744) 26.985 23.508 ( 22.773 -24.718 -5.508) 34.058 23.943 ( -7.701 3.049 -6.413) 10.475 24.318 ( 7.013 10.991 -7.484) 15.033 ======================= 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 7.23e-05 7.23e-05 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| 1.955 ( 19.350 1.178 12.079) 22.841 2.313 ( 13.816 4.151 16.047) 21.578 3.109 ( -7.503 1.405 0.475) 7.648 3.410 ( -6.222 0.419 -7.520) 9.769 3.576 ( -2.318 1.310 -4.593) 5.309 3.837 ( 21.283 -1.222 13.468) 25.216 3.989 ( -6.265 -0.555 -3.490) 7.193 4.058 ( 1.517 -1.561 3.395) 4.033 4.633 ( 9.049 4.994 7.137) 12.560 4.806 ( 1.563 2.560 2.234) 3.740 5.525 ( -0.888 -2.607 7.195) 7.704 5.857 ( -1.217 8.091 4.261) 9.225 6.314 ( 2.124 -2.843 -4.115) 5.434 6.950 ( -0.226 9.718 14.761) 17.674 7.608 ( -0.707 6.183 -5.718) 8.451 7.734 ( -5.698 6.836 5.080) 10.247 7.968 ( -3.621 14.617 2.872) 15.331 8.952 ( -3.532 -0.595 30.012) 30.225 9.883 ( 8.888 -2.511 -0.987) 9.289 10.712 ( 8.432 -2.838 -7.871) 11.879 11.154 ( 6.615 8.244 -7.725) 13.092 11.569 ( -14.500 -0.396 -7.689) 16.417 12.040 ( 8.875 8.908 -11.800) 17.244 13.292 ( 9.578 -5.627 4.156) 11.860 13.556 ( -5.685 1.497 17.277) 18.250 14.591 ( -7.997 -9.975 -7.175) 14.661 14.924 ( -6.905 6.075 -5.448) 10.690 15.631 ( -0.829 -6.921 -1.082) 7.054 16.885 ( 25.632 -1.196 -7.691) 26.788 19.195 ( -17.206 -1.518 0.096) 17.273 19.251 ( 1.063 -10.588 6.090) 12.261 19.719 ( 2.876 3.944 5.816) 7.593 19.823 ( -21.353 7.053 -3.395) 22.742 23.707 ( -6.682 -2.291 -1.088) 7.147 23.901 ( 11.584 -14.823 -12.700) 22.698 24.401 ( 2.943 6.262 -5.525) 8.854 ======================= 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 7.23e-05 7.23e-05 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| 2.370 ( 19.541 -1.900 9.889) 21.983 2.567 ( 6.027 0.611 13.177) 14.503 2.944 ( -7.231 4.674 3.278) 9.213 3.238 ( -9.995 1.060 0.185) 10.053 3.442 ( -8.954 5.374 -9.531) 14.139 3.789 ( -5.916 -5.424 -1.878) 8.243 4.128 ( 4.298 -5.296 -7.755) 10.328 4.248 ( 9.414 0.475 -2.082) 9.654 4.746 ( 5.913 -1.010 4.849) 7.714 4.950 ( 8.132 7.488 11.668) 16.073 5.509 ( -2.461 -1.335 5.945) 6.572 5.794 ( -6.041 7.017 3.696) 9.970 6.363 ( 4.546 0.819 0.555) 4.653 7.016 ( 3.414 5.769 15.502) 16.889 7.560 ( -2.719 5.956 -4.330) 7.850 7.637 ( -5.007 5.430 7.107) 10.250 7.951 ( 0.431 18.812 8.134) 20.500 8.947 ( -3.549 -1.783 30.310) 30.569 10.059 ( 8.703 -2.238 -3.869) 9.784 10.855 ( 7.006 -1.790 -4.979) 8.780 11.137 ( -11.759 1.048 -12.847) 17.448 11.347 ( -0.563 9.808 -3.944) 10.586 12.101 ( -0.677 8.548 -7.213) 11.205 13.307 ( -3.634 -6.660 21.685) 22.974 13.771 ( 17.501 0.127 -11.366) 20.868 14.341 ( -13.989 -8.721 -10.558) 19.575 14.819 ( -2.874 4.144 1.991) 5.422 15.614 ( -1.217 -6.221 0.149) 6.341 17.398 ( 27.418 0.288 -9.324) 28.961 18.859 ( -14.706 0.730 -1.444) 14.795 19.136 ( -10.622 -2.549 -4.042) 11.647 19.440 ( -15.537 5.397 1.422) 16.509 19.969 ( 15.688 -3.082 15.072) 21.972 23.524 ( -9.196 -0.499 -7.034) 11.588 24.082 ( 8.065 -13.707 -10.974) 19.322 24.412 ( -0.608 3.350 -3.647) 4.989 ======================= 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 7.23e-05 7.23e-05 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| 2.465 ( -14.369 0.420 9.146) 17.038 2.769 ( 13.413 0.242 8.946) 16.124 2.830 ( -10.606 -2.154 5.114) 11.970 3.143 ( 4.971 6.492 7.746) 11.264 3.253 ( -6.023 3.099 -13.567) 15.164 3.718 ( -1.548 -5.623 -5.393) 7.943 4.042 ( -10.924 1.444 -8.866) 14.143 4.320 ( 1.847 -6.850 -9.848) 12.137 4.932 ( 8.372 1.322 6.438) 10.643 5.088 ( 2.679 5.834 12.344) 13.913 5.444 ( -5.530 0.145 6.769) 8.743 5.685 ( -4.414 7.756 4.267) 9.891 6.501 ( 8.414 3.124 3.861) 9.771 7.144 ( 5.361 0.331 15.546) 16.447 7.503 ( -1.428 5.517 -4.363) 7.177 7.584 ( -1.890 4.221 8.773) 9.918 8.009 ( 2.958 21.416 10.786) 24.161 8.956 ( -2.468 -3.417 29.238) 29.540 10.172 ( 2.870 -1.743 -5.441) 6.394 10.772 ( -19.420 -0.997 -12.726) 23.240 10.950 ( 3.363 -0.249 -2.222) 4.038 11.396 ( 3.740 13.946 -5.027) 15.289 12.004 ( -6.796 8.001 -5.419) 11.814 13.311 ( -1.240 -8.126 15.650) 17.677 13.845 ( -11.719 -1.420 -20.365) 23.539 14.261 ( 13.342 -7.233 -2.984) 15.467 14.814 ( 1.365 3.774 4.700) 6.180 15.580 ( -2.026 -6.078 -0.813) 6.458 17.897 ( 24.380 3.206 -5.912) 25.290 18.606 ( -11.251 -0.195 -8.626) 14.179 18.916 ( -8.395 5.349 -0.786) 9.985 19.245 ( -3.945 -0.889 1.511) 4.317 20.334 ( 16.431 -4.067 20.589) 26.654 23.315 ( -10.011 -4.286 -14.018) 17.750 24.166 ( 3.065 -8.947 -9.776) 13.602 24.366 ( -3.167 2.338 -2.755) 4.805 ======================= 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 7.23e-05 7.23e-05 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| 2.146 ( -18.805 2.918 8.996) 21.049 2.442 ( -23.355 2.518 9.155) 25.211 3.061 ( 6.460 -4.869 -2.674) 8.520 3.149 ( 2.369 0.051 -6.773) 7.176 3.339 ( 7.504 7.085 7.120) 12.538 3.612 ( -13.029 -2.685 -7.506) 15.275 3.805 ( -3.824 1.419 -2.268) 4.667 4.282 ( -3.471 -1.953 -9.926) 10.695 5.005 ( -2.418 -0.087 8.968) 9.288 5.154 ( 2.077 3.136 8.959) 9.717 5.364 ( -3.641 1.963 8.782) 9.707 5.641 ( -1.899 8.994 4.239) 10.123 6.688 ( 8.810 3.883 5.393) 11.035 7.266 ( 2.945 -4.640 12.472) 13.629 7.497 ( 1.848 5.301 -2.516) 6.152 7.612 ( 2.722 1.726 7.634) 8.286 8.109 ( 4.619 21.233 9.939) 23.895 8.975 ( -2.365 -4.604 25.629) 26.146 10.115 ( -7.912 -2.924 -4.658) 9.636 10.346 ( -20.473 1.289 -10.804) 23.185 10.980 ( 0.166 2.072 -1.369) 2.489 11.450 ( 2.986 16.765 -5.377) 17.857 11.841 ( -7.633 6.146 -6.868) 11.967 13.270 ( -7.551 -11.195 2.949) 13.822 13.556 ( -9.159 1.487 -5.105) 10.590 14.565 ( 15.495 -7.524 -4.098) 17.706 14.881 ( 4.068 4.402 3.506) 6.943 15.543 ( -0.820 -6.148 -3.045) 6.909 18.285 ( 5.596 4.573 1.634) 7.409 18.366 ( -0.454 1.299 -13.065) 13.138 18.876 ( 4.682 -1.584 1.945) 5.312 19.301 ( 8.815 2.272 0.976) 9.155 20.695 ( 14.845 -3.153 23.334) 27.835 23.040 ( -14.330 -10.383 -24.103) 29.902 24.166 ( -1.431 -3.965 -4.644) 6.272 24.287 ( -3.293 3.555 -5.151) 7.072 ======================= 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 7.23e-05 7.23e-05 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| 1.788 ( -19.299 5.623 9.279) 22.140 1.981 ( -24.979 2.438 11.093) 27.440 3.052 ( -4.102 -0.702 -3.135) 5.210 3.094 ( -18.847 5.950 2.434) 19.914 3.306 ( 3.454 0.327 -5.496) 6.499 3.524 ( 2.384 5.007 3.425) 6.518 3.844 ( 4.019 -4.470 2.262) 6.422 4.174 ( -3.590 4.040 -10.412) 11.731 4.965 ( -3.020 -3.256 12.727) 13.480 5.160 ( -4.268 0.956 7.749) 8.898 5.346 ( 0.013 2.674 7.277) 7.753 5.610 ( -2.233 10.687 5.028) 12.020 6.848 ( 5.296 3.374 6.372) 8.946 7.286 ( -3.778 -10.378 5.622) 12.393 7.565 ( 4.821 6.134 -2.430) 8.171 7.705 ( 4.603 -0.739 6.485) 7.987 8.234 ( 6.266 19.007 6.138) 20.933 8.951 ( -5.746 -4.136 16.068) 17.558 9.854 ( -15.944 -2.553 -2.707) 16.373 9.954 ( -16.940 4.331 0.279) 17.487 10.951 ( -2.812 2.496 -1.550) 4.067 11.484 ( 1.293 20.975 -7.958) 22.471 11.710 ( -2.460 3.267 -7.960) 8.949 13.028 ( -12.822 -6.565 -10.967) 18.105 13.501 ( 0.043 -1.449 12.549) 12.633 14.817 ( 10.310 -5.563 0.109) 11.716 14.964 ( 3.070 3.096 0.870) 4.446 15.554 ( 3.554 -6.304 -8.040) 10.817 18.083 ( -9.496 -7.338 -6.537) 13.665 18.636 ( 15.514 7.322 7.237) 18.619 19.092 ( 15.200 -4.836 -0.565) 15.961 19.547 ( 14.528 5.884 1.406) 15.737 21.016 ( 12.026 -1.703 23.953) 26.857 22.605 ( -24.000 -16.736 -35.011) 45.628 24.086 ( -5.398 2.657 -2.329) 6.452 24.235 ( -0.760 4.461 -5.723) 7.296 ======================= 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 7.23e-05 7.23e-05 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| 1.433 ( -18.515 7.944 9.803) 22.405 1.561 ( -19.173 6.574 18.841) 27.673 2.595 ( -25.975 14.499 19.538) 35.591 3.100 ( 4.261 -2.426 -1.342) 5.084 3.369 ( 3.990 2.633 -7.592) 8.971 3.509 ( -4.229 5.592 1.157) 7.106 3.906 ( 1.348 -6.211 2.216) 6.731 4.132 ( 1.000 4.837 -8.261) 9.625 4.948 ( -2.268 -2.885 13.234) 13.733 5.028 ( -10.251 0.313 8.972) 13.627 5.380 ( 1.618 1.451 5.286) 5.715 5.593 ( -0.338 11.301 6.442) 13.013 6.854 ( -10.978 -8.018 2.131) 13.760 7.135 ( -9.364 -6.155 5.197) 12.352 7.628 ( 3.169 7.529 -16.096) 18.051 7.825 ( 5.123 2.596 11.634) 12.974 8.384 ( 7.674 14.487 2.712) 16.616 8.821 ( -8.184 0.639 7.510) 11.126 9.527 ( -15.897 0.259 -2.900) 16.161 9.757 ( -3.404 2.945 18.184) 18.733 10.866 ( -5.344 1.265 -0.039) 5.492 11.448 ( -1.477 16.217 -11.968) 20.209 11.744 ( 6.947 8.328 -8.772) 13.949 12.779 ( -9.266 -2.880 -11.518) 15.060 13.568 ( 3.241 -2.581 16.368) 16.884 14.973 ( 4.571 -2.617 0.547) 5.296 14.996 ( 0.831 1.219 3.659) 3.945 15.638 ( 6.836 -6.372 -14.474) 17.229 17.941 ( -3.995 -17.533 -0.711) 17.996 19.059 ( 25.941 2.058 12.956) 29.070 19.388 ( 13.549 -3.511 -3.041) 14.323 19.843 ( 14.320 7.442 4.043) 16.637 21.254 ( 5.511 -1.587 20.358) 21.151 21.903 ( -38.012 -16.994 -39.687) 57.522 23.973 ( -4.486 9.758 -5.281) 11.968 24.219 ( -0.155 4.992 -2.966) 5.808 ======================= 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 7.23e-05 7.23e-05 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| 1.183 ( -7.668 12.767 20.070) 24.992 1.327 ( -10.040 14.489 21.517) 27.816 2.231 ( -14.756 14.696 34.186) 40.030 3.215 ( 6.825 -2.740 2.372) 7.727 3.385 ( -4.821 5.233 1.281) 7.230 3.464 ( 5.168 5.575 -9.528) 12.189 3.912 ( -1.090 -5.995 2.654) 6.646 4.137 ( 0.784 2.980 -7.216) 7.847 4.853 ( -7.135 -0.650 9.431) 11.844 4.911 ( -5.019 0.464 12.311) 13.303 5.433 ( 2.516 0.705 5.377) 5.978 5.628 ( 1.975 9.791 7.256) 12.345 6.341 ( -32.982 -12.344 -0.345) 35.218 7.067 ( -2.426 7.291 10.892) 13.330 7.629 ( 1.541 10.416 -19.639) 22.284 7.912 ( 0.343 3.999 10.498) 11.239 8.523 ( 4.720 10.402 0.521) 11.434 8.740 ( -2.503 0.083 13.260) 13.494 9.299 ( -3.679 4.831 -5.924) 8.484 9.891 ( 11.997 -3.803 20.446) 24.009 10.752 ( -6.274 -0.778 2.698) 6.874 11.412 ( 1.236 14.053 -14.467) 20.207 11.895 ( 9.763 9.781 -12.408) 18.573 12.625 ( -3.616 -0.433 -10.229) 10.859 13.712 ( 8.187 -3.211 14.580) 17.027 14.964 ( -1.998 -3.044 -0.048) 3.641 15.073 ( 3.010 2.291 4.510) 5.886 15.728 ( 5.432 -6.481 -17.562) 19.492 17.891 ( -4.393 -31.858 7.653) 33.058 19.488 ( -5.814 -10.224 -13.066) 17.580 19.615 ( 16.752 0.033 2.532) 16.942 20.055 ( -2.236 1.358 -1.725) 3.134 21.079 ( -3.665 -2.311 -5.044) 6.649 21.414 ( -4.059 2.137 12.023) 12.868 23.915 ( 0.770 16.350 -7.042) 17.818 24.208 ( -0.531 4.927 -2.135) 5.396 ======================= 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 7.23e-05 7.23e-05 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| 1.626 ( 0.744 17.870 19.753) 26.647 1.666 ( 5.838 20.348 17.347) 27.368 2.515 ( 0.659 17.047 27.931) 32.729 3.268 ( 5.988 -5.391 3.588) 8.820 3.435 ( -2.081 5.396 1.696) 6.027 3.609 ( -1.825 -0.696 3.543) 4.046 3.872 ( 5.335 2.694 -1.661) 6.203 4.181 ( -0.793 4.554 -5.984) 7.562 4.769 ( -1.779 -2.703 5.839) 6.675 4.892 ( -3.689 4.083 8.106) 9.797 5.439 ( -0.248 -4.451 4.182) 6.112 5.767 ( 0.447 0.153 9.067) 9.079 6.013 ( -1.655 9.251 1.033) 9.454 7.293 ( -0.912 14.469 12.980) 19.460 7.832 ( -0.988 9.305 -14.920) 17.612 8.058 ( 1.056 10.830 6.005) 12.429 8.677 ( -2.891 -1.479 12.134) 12.561 8.738 ( -2.399 9.684 4.384) 10.897 9.552 ( 9.715 8.425 -3.309) 13.278 10.156 ( 16.281 -0.300 15.079) 22.193 10.519 ( -7.340 -7.726 1.449) 10.755 11.474 ( 5.201 -9.480 -8.041) 13.475 12.326 ( 0.052 16.158 -11.597) 19.889 12.679 ( 5.648 7.921 -12.376) 15.742 13.809 ( 7.758 -5.893 2.975) 10.186 14.808 ( -4.927 -4.968 -2.223) 7.342 15.184 ( 4.075 -0.348 0.883) 4.185 15.547 ( 0.131 -12.166 -16.919) 20.840 16.839 ( -27.233 -25.043 22.857) 43.488 18.968 ( -18.902 1.476 -24.709) 31.145 19.692 ( 1.906 -3.167 0.755) 3.773 20.074 ( 0.654 3.943 -5.011) 6.410 21.238 ( -12.043 1.298 9.869) 15.625 21.635 ( 35.362 -10.502 9.371) 38.060 24.214 ( 2.643 5.459 -3.733) 7.122 24.356 ( 1.369 9.077 -6.156) 11.052 ======================= 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 7.23e-05 7.23e-05 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| 1.673 ( 1.601 19.076 15.084) 24.372 1.886 ( 10.809 14.121 18.543) 25.692 2.755 ( 15.416 7.479 23.184) 28.828 3.338 ( 1.814 3.621 1.856) 4.455 3.476 ( 3.870 -5.535 0.559) 6.777 3.610 ( 1.806 1.812 4.578) 5.245 3.876 ( -4.023 1.180 0.198) 4.197 4.224 ( 5.122 4.917 -0.710) 7.136 4.718 ( -5.457 -0.014 1.615) 5.691 4.836 ( -2.513 3.948 5.929) 7.553 5.457 ( 0.968 -3.220 4.715) 5.791 5.902 ( 9.465 -2.950 4.817) 11.022 6.023 ( 1.686 8.491 0.209) 8.659 7.282 ( -3.199 16.518 14.089) 21.945 7.782 ( -0.752 6.971 -8.240) 10.819 8.110 ( 2.127 15.973 0.870) 16.138 8.506 ( -9.242 11.432 1.385) 14.766 8.826 ( 2.738 -0.094 18.726) 18.926 9.695 ( 3.637 4.775 -0.038) 6.003 10.365 ( 2.285 -8.651 -6.051) 10.801 10.655 ( 20.564 -0.300 13.375) 24.533 11.604 ( 8.988 -9.104 -8.136) 15.162 12.245 ( -5.240 12.296 -10.575) 17.044 12.820 ( 11.001 7.765 -11.361) 17.618 13.888 ( -2.370 -7.894 4.935) 9.606 14.682 ( -7.047 -6.268 -3.588) 10.091 15.239 ( 0.963 3.567 -1.337) 3.929 15.480 ( -2.719 -15.425 -13.468) 20.657 16.421 ( -14.229 -8.247 18.089) 24.448 18.733 ( -0.654 -2.859 -10.620) 11.018 19.677 ( -4.029 -2.116 -1.254) 4.721 20.009 ( -6.206 3.860 -3.746) 8.212 20.893 ( -21.963 3.875 5.261) 22.915 22.393 ( 35.550 -21.439 3.524) 41.663 24.179 ( -5.072 5.027 -2.926) 7.717 24.407 ( 4.397 6.862 -6.796) 10.612 ======================= 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 7.23e-05 7.23e-05 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| 1.792 ( 7.666 13.699 12.791) 20.250 2.155 ( 12.034 9.332 17.019) 22.837 3.078 ( 9.547 -3.413 5.038) 11.322 3.438 ( 8.908 5.255 7.623) 12.848 3.517 ( 0.387 -7.737 -0.675) 7.776 3.626 ( -3.532 4.270 -6.756) 8.738 3.876 ( 7.237 1.874 12.310) 14.402 4.251 ( -5.603 2.949 0.092) 6.332 4.646 ( 0.320 4.135 0.240) 4.154 4.820 ( 0.200 2.658 3.983) 4.793 5.490 ( 1.135 -0.425 5.636) 5.765 6.008 ( 0.486 4.312 1.385) 4.555 6.133 ( 8.197 -2.142 -0.529) 8.489 7.238 ( -4.383 15.246 14.576) 21.543 7.762 ( -0.267 6.794 -4.359) 8.077 8.107 ( -2.892 18.622 0.800) 18.862 8.374 ( -4.046 16.343 2.470) 17.017 8.908 ( 0.371 -0.649 22.917) 22.929 9.713 ( 0.608 -3.146 0.223) 3.212 10.468 ( 9.757 -4.737 -11.062) 15.493 11.086 ( 18.194 5.783 11.994) 22.546 11.721 ( 1.414 -6.706 -10.487) 12.528 12.129 ( -0.945 10.707 -9.772) 14.527 13.038 ( 12.394 4.263 -6.773) 14.753 13.732 ( -13.460 -3.533 14.573) 20.150 14.534 ( -6.779 -8.629 -5.725) 12.377 15.184 ( -5.593 4.485 -8.853) 11.391 15.427 ( -0.062 -14.353 -2.214) 14.523 16.452 ( 13.331 -1.849 2.860) 13.760 18.820 ( 8.707 -10.393 -1.507) 13.642 19.513 ( -12.423 -0.845 -1.199) 12.509 19.843 ( -8.275 2.252 -4.339) 9.611 20.456 ( -22.587 7.941 4.509) 24.363 23.001 ( 25.783 -23.373 -0.221) 34.801 24.026 ( -9.122 4.640 -5.294) 11.522 24.465 ( 2.521 3.762 -5.009) 6.752 ======================= 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 7.23e-05 7.23e-05 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| 2.030 ( 13.406 6.341 9.966) 17.868 2.424 ( 11.278 6.503 13.750) 18.935 3.131 ( -2.213 -0.473 -0.761) 2.388 3.418 ( -9.305 -0.449 -1.971) 9.522 3.555 ( 0.859 -1.939 -4.148) 4.658 3.679 ( 7.943 -11.660 1.734) 14.215 4.034 ( -10.670 3.430 -6.589) 13.001 4.161 ( 14.152 10.776 10.992) 20.910 4.653 ( -0.750 -3.566 -2.095) 4.203 4.916 ( 7.811 6.829 9.078) 13.786 5.525 ( 0.901 2.386 6.215) 6.718 5.991 ( -2.746 3.723 1.579) 4.889 6.271 ( 6.442 0.133 -0.343) 6.452 7.184 ( -4.201 11.534 14.612) 19.084 7.734 ( -2.046 6.319 -1.860) 6.897 8.020 ( -5.759 18.880 2.450) 19.891 8.356 ( 0.935 21.861 6.151) 22.729 8.922 ( -4.266 -2.236 23.846) 24.328 9.799 ( 8.797 -5.169 -2.697) 10.554 10.651 ( 10.374 -2.570 -9.621) 14.380 11.399 ( 10.769 13.555 7.376) 18.818 11.547 ( -13.369 -1.710 -9.629) 16.564 12.209 ( 7.772 6.283 -9.711) 13.935 13.214 ( 2.422 -0.987 7.658) 8.092 13.572 ( -0.814 0.173 7.265) 7.313 14.366 ( -9.299 -11.550 -8.742) 17.213 15.025 ( -7.088 3.298 -7.261) 10.669 15.442 ( 0.726 -10.255 1.637) 10.410 16.863 ( 26.758 -0.705 -7.023) 27.673 18.990 ( 6.572 -11.673 0.261) 13.398 19.209 ( -16.642 0.271 -1.079) 16.679 19.724 ( -1.659 -1.090 -2.409) 3.122 20.039 ( -20.695 11.378 7.133) 24.670 23.422 ( 17.325 -20.151 -0.220) 26.575 23.808 ( -10.803 1.488 -10.141) 14.892 24.482 ( 0.320 2.066 -3.688) 4.239 ======================= 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 7.23e-05 7.23e-05 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| 2.343 ( 15.536 -0.062 7.059) 17.065 2.621 ( 4.228 4.844 8.363) 10.549 3.045 ( -5.830 2.902 1.074) 6.600 3.231 ( -8.193 -1.009 3.689) 9.042 3.546 ( -3.193 2.975 -8.904) 9.916 3.628 ( -8.330 -9.516 -1.328) 12.716 3.966 ( 5.407 -6.085 -11.280) 13.911 4.324 ( -1.951 3.422 -6.520) 7.618 4.736 ( 11.013 0.568 8.891) 14.166 5.099 ( 6.945 6.040 11.795) 14.961 5.547 ( -0.278 4.844 5.636) 7.437 5.904 ( -6.085 3.015 2.483) 7.230 6.416 ( 8.419 4.824 2.187) 9.947 7.151 ( -2.317 6.624 14.537) 16.143 7.678 ( -3.134 6.187 -0.154) 6.938 7.906 ( -6.134 17.591 3.758) 19.005 8.421 ( 3.366 25.107 9.293) 26.983 8.879 ( -4.623 -4.151 22.733) 23.567 10.002 ( 10.908 -2.809 -5.403) 12.492 10.816 ( 7.911 -1.860 -4.722) 9.399 11.185 ( -17.811 2.510 -12.922) 22.148 11.606 ( 6.985 14.984 7.384) 18.106 12.280 ( 0.456 7.082 -9.325) 11.719 13.183 ( -5.050 -3.630 17.936) 18.983 13.738 ( 13.516 -4.110 -5.550) 15.178 14.116 ( -13.280 -12.042 -10.936) 20.999 14.915 ( -2.559 4.788 -1.607) 5.661 15.445 ( -0.888 -9.269 1.400) 9.416 17.417 ( 30.369 1.660 -9.803) 31.955 18.879 ( -14.686 1.097 -2.537) 14.944 19.061 ( 1.058 -4.605 -4.001) 6.192 19.575 ( -19.329 6.464 -0.062) 20.381 19.899 ( 9.199 -2.666 16.089) 18.724 23.514 ( -12.553 -0.460 -7.041) 14.400 23.742 ( 11.752 -18.338 -8.197) 23.272 24.463 ( -1.385 1.769 -3.151) 3.870 ======================= 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 7.23e-05 7.23e-05 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| 2.520 ( -8.442 4.107 5.794) 11.032 2.683 ( 8.404 -3.354 1.983) 9.263 2.870 ( -11.053 1.002 3.251) 11.565 3.185 ( -0.113 -0.429 2.382) 2.423 3.369 ( -4.021 4.109 -3.487) 6.724 3.593 ( 0.796 -4.307 -7.674) 8.836 4.012 ( -1.790 -5.500 -6.074) 8.388 4.200 ( -3.484 -3.289 -13.104) 13.952 4.992 ( 9.921 4.209 8.693) 13.846 5.198 ( -0.540 4.272 12.710) 13.420 5.530 ( -2.636 7.506 5.124) 9.463 5.807 ( -3.187 3.745 3.703) 6.156 6.607 ( 9.855 7.241 4.605) 13.067 7.156 ( -0.808 1.021 14.208) 14.267 7.622 ( -2.179 5.920 0.191) 6.312 7.811 ( -4.105 14.977 4.724) 16.232 8.511 ( 3.121 25.056 10.155) 27.215 8.858 ( -2.579 -4.384 21.330) 21.928 10.133 ( 2.448 -1.809 -7.721) 8.299 10.793 ( -18.355 2.639 -10.676) 21.397 10.948 ( 5.663 0.101 -0.774) 5.717 11.739 ( 5.519 18.298 4.741) 19.692 12.188 ( -6.907 8.100 -9.047) 13.970 13.131 ( -4.469 -7.504 13.238) 15.860 13.782 ( -12.351 -4.815 -15.237) 20.197 14.051 ( 14.273 -12.755 -1.247) 19.183 14.916 ( 2.342 5.662 0.484) 6.147 15.416 ( -2.012 -8.922 0.514) 9.161 17.988 ( 29.223 5.372 -8.223) 30.829 18.604 ( -12.189 0.063 -8.006) 14.584 19.062 ( -6.800 7.981 -0.760) 10.513 19.223 ( -7.308 -0.897 2.745) 7.858 20.214 ( 16.333 -7.304 20.206) 26.989 23.193 ( -16.623 -7.435 -17.076) 24.964 23.939 ( 8.881 -11.687 -3.216) 15.027 24.417 ( -2.436 2.311 -3.720) 5.011 ======================= 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 7.23e-05 7.23e-05 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| 2.269 ( -15.624 8.849 6.731) 19.176 2.462 ( -20.892 -0.631 2.099) 21.007 2.964 ( 7.160 -4.235 -1.967) 8.548 3.142 ( 1.221 -0.996 -6.135) 6.334 3.421 ( 1.442 -2.570 5.684) 6.403 3.576 ( 0.191 2.404 -4.632) 5.222 3.875 ( -6.967 4.890 -3.070) 9.049 4.190 ( 2.980 -7.020 -11.021) 13.402 5.053 ( -6.931 4.374 8.821) 12.041 5.207 ( 1.146 2.754 10.656) 11.065 5.486 ( -2.837 8.330 5.748) 10.511 5.797 ( 0.481 5.426 3.475) 6.461 6.806 ( 8.423 7.374 6.480) 12.935 7.153 ( -3.515 -5.317 12.552) 14.078 7.610 ( 1.465 5.110 -1.451) 5.510 7.777 ( -0.379 11.854 5.922) 13.256 8.587 ( 2.432 23.302 9.441) 25.260 8.866 ( -1.588 -4.166 17.641) 18.196 10.045 ( -9.123 -3.593 -7.069) 12.087 10.417 ( -17.440 5.374 -6.231) 19.284 11.030 ( 1.841 2.590 0.079) 3.179 11.856 ( 5.054 18.862 2.944) 19.748 12.000 ( -8.572 9.755 -10.556) 16.735 13.043 ( -6.898 -9.350 4.896) 12.609 13.537 ( -8.238 -2.941 -6.701) 11.019 14.353 ( 15.875 -13.081 -1.885) 20.657 14.982 ( 3.442 4.635 -0.713) 5.817 15.383 ( -0.854 -8.212 -0.793) 8.294 18.326 ( -15.418 0.386 -8.305) 17.517 18.505 ( 22.203 10.849 -3.801) 25.003 18.821 ( -5.753 -3.757 1.358) 7.004 19.367 ( 13.370 3.906 1.639) 14.025 20.596 ( 16.856 -6.358 23.262) 29.422 22.774 ( -21.455 -14.191 -24.408) 35.460 24.073 ( 5.094 -4.513 -0.786) 6.851 24.358 ( -2.073 2.921 -5.561) 6.614 ======================= 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 7.23e-05 7.23e-05 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| 1.966 ( -16.871 10.789 5.618) 20.799 2.052 ( -19.741 5.176 8.237) 22.008 2.992 ( 0.446 -3.959 -5.221) 6.568 3.218 ( -5.641 4.161 3.369) 7.777 3.317 ( -0.247 -1.186 -2.116) 2.438 3.640 ( 2.852 5.023 2.137) 6.159 3.790 ( -1.736 1.359 0.396) 2.240 4.225 ( 2.581 -0.220 -9.773) 10.111 4.919 ( -6.509 -0.071 10.714) 12.536 5.201 ( -4.980 2.923 8.865) 10.579 5.447 ( -2.225 5.989 5.116) 8.184 5.813 ( 0.125 7.845 3.187) 8.469 6.893 ( -6.031 -2.974 6.428) 9.302 7.098 ( -0.734 -2.187 10.992) 11.231 7.670 ( 5.186 4.182 -8.399) 10.720 7.835 ( 4.639 10.490 9.907) 15.156 8.646 ( 0.716 20.145 10.827) 22.882 8.862 ( -1.677 -3.588 7.929) 8.863 9.794 ( -13.582 -3.100 -4.169) 14.542 10.087 ( -15.022 8.423 2.899) 17.465 11.005 ( -4.160 2.553 -1.172) 5.020 11.754 ( -9.844 1.394 -10.124) 14.190 12.022 ( 7.912 26.958 -2.037) 28.169 12.890 ( -7.913 -5.090 -4.563) 10.457 13.446 ( -1.048 -3.893 3.927) 5.628 14.651 ( 14.206 -11.040 -0.879) 18.013 15.018 ( 0.154 1.105 -1.579) 1.933 15.398 ( 3.142 -7.066 -4.495) 8.945 17.953 ( -19.941 -4.568 -0.249) 20.459 18.714 ( 8.012 -1.971 -0.598) 8.273 19.063 ( 21.218 4.249 -2.845) 21.826 19.670 ( 15.889 5.422 2.308) 16.947 20.964 ( 14.357 -3.365 24.247) 28.379 22.225 ( -28.051 -17.994 -29.749) 44.672 24.128 ( 0.690 1.773 -0.889) 2.100 24.328 ( 0.682 3.480 -6.387) 7.306 ======================= 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 7.23e-05 7.23e-05 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| 1.654 ( -13.493 12.803 8.464) 20.436 1.774 ( -12.048 13.756 16.393) 24.558 2.919 ( -17.998 13.712 13.187) 26.189 3.029 ( 2.675 -3.663 -0.308) 4.547 3.452 ( 8.462 4.039 -3.489) 10.004 3.628 ( -2.975 4.957 -3.840) 6.940 3.777 ( -1.614 -4.424 6.377) 7.927 4.240 ( 1.147 5.151 -9.171) 10.581 4.877 ( -0.575 -3.259 9.816) 10.359 5.057 ( -10.869 2.364 9.394) 14.559 5.426 ( -0.817 2.165 3.946) 4.574 5.817 ( -0.486 8.574 3.434) 9.249 6.593 ( -21.868 -12.199 4.374) 25.419 7.178 ( 3.591 6.636 11.084) 13.409 7.759 ( 6.246 5.929 -14.669) 17.010 7.984 ( 6.549 10.199 11.611) 16.784 8.621 ( -6.026 6.753 13.190) 15.997 8.870 ( 2.092 5.783 -1.170) 6.260 9.534 ( -10.940 0.554 -2.432) 11.220 9.880 ( -6.760 8.999 13.318) 17.437 10.876 ( -8.213 -0.152 -0.422) 8.225 11.558 ( -6.884 -2.906 -10.969) 13.272 12.177 ( 8.160 26.687 -6.563) 28.668 12.740 ( -5.223 0.480 -8.935) 10.361 13.494 ( 4.042 -4.383 8.763) 10.599 14.883 ( 7.924 -6.480 -0.074) 10.237 14.998 ( -0.301 -2.533 -0.398) 2.582 15.471 ( 5.477 -7.852 -10.689) 14.349 17.580 ( -18.332 -15.361 7.750) 25.142 18.973 ( 17.586 -8.429 -2.026) 19.606 19.442 ( 17.022 6.955 -3.354) 18.692 19.966 ( 12.372 3.935 2.249) 13.176 21.218 ( 2.289 -1.494 16.375) 16.601 21.578 ( -25.890 -13.067 -22.108) 36.466 24.124 ( 0.387 5.282 -4.245) 6.788 24.344 ( 1.579 5.440 -4.596) 7.295 ======================= 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 7.23e-05 7.23e-05 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| 1.539 ( -1.099 19.277 17.740) 26.221 1.643 ( -5.139 16.481 18.635) 25.403 2.614 ( -14.785 19.799 21.486) 32.745 3.128 ( 6.220 -5.494 4.045) 9.232 3.514 ( -4.604 5.246 1.580) 7.156 3.611 ( 3.689 7.724 -5.031) 9.929 3.767 ( 1.825 -5.619 3.132) 6.687 4.225 ( -0.855 5.136 -8.019) 9.561 4.850 ( -8.054 0.262 6.973) 10.656 4.914 ( -1.446 -0.049 10.960) 11.055 5.431 ( 0.233 -1.764 3.531) 3.954 5.803 ( -2.518 4.375 5.306) 7.324 6.177 ( -17.446 -1.538 3.997) 17.964 7.257 ( 1.639 10.437 11.783) 15.826 7.835 ( 4.710 9.573 -17.927) 20.862 8.066 ( -1.653 10.184 10.165) 14.484 8.582 ( 1.641 -3.118 12.965) 13.436 8.870 ( -4.290 9.973 1.501) 10.960 9.419 ( 1.830 6.281 -4.236) 7.794 9.899 ( 5.046 5.120 17.976) 19.360 10.697 ( -9.717 -4.146 1.225) 10.636 11.452 ( -1.091 -7.178 -9.711) 12.125 12.295 ( 5.460 22.522 -11.236) 25.754 12.657 ( -0.601 4.793 -10.639) 11.684 13.633 ( 7.809 -4.030 7.504) 11.556 14.893 ( -3.271 -3.785 -1.390) 5.192 15.084 ( 5.764 -3.034 1.604) 6.708 15.541 ( 4.092 -10.021 -15.583) 18.973 17.250 ( -19.183 -26.306 16.400) 36.455 19.259 ( 6.067 -10.448 -15.706) 19.815 19.661 ( 3.305 2.953 -3.876) 5.887 20.072 ( -1.321 0.354 -6.572) 6.713 21.058 ( 4.517 -0.020 2.637) 5.231 21.433 ( -2.396 0.014 13.371) 13.584 24.149 ( 3.500 6.791 -5.683) 9.522 24.356 ( 0.594 7.509 -4.108) 8.580 ======================= 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 7.23e-05 7.23e-05 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| 1.953 ( 3.226 13.644 15.487) 20.891 2.086 ( 1.515 20.002 17.183) 26.413 2.839 ( -2.104 10.987 10.917) 15.631 3.125 ( 4.655 -6.408 6.704) 10.377 3.389 ( -2.742 -9.806 6.909) 12.305 3.707 ( -1.366 10.108 9.846) 14.177 3.990 ( 4.141 7.366 -3.574) 9.175 4.300 ( -0.194 6.586 -6.580) 9.312 4.747 ( -4.400 0.486 3.602) 5.707 4.947 ( -0.039 0.875 6.310) 6.371 5.313 ( 0.479 -7.078 2.018) 7.375 5.732 ( -0.337 -3.377 10.101) 10.656 6.186 ( -0.845 6.731 -2.999) 7.418 7.592 ( 2.387 13.744 14.844) 20.370 7.994 ( -4.788 6.531 -11.220) 13.837 8.265 ( 3.317 4.815 8.592) 10.393 8.661 ( 8.041 3.649 11.673) 14.637 8.974 ( -5.276 11.559 4.546) 13.495 9.690 ( 8.623 4.610 -2.387) 10.065 10.262 ( 6.158 8.308 11.243) 15.276 10.328 ( -5.205 -9.068 4.257) 11.289 11.196 ( 3.170 -15.641 -0.641) 15.972 12.611 ( -4.261 12.453 -1.851) 13.292 12.891 ( 5.325 10.196 -14.657) 18.632 13.731 ( 6.773 -1.270 -2.433) 7.308 14.696 ( -5.451 -6.987 -5.509) 10.435 14.994 ( 5.310 -16.125 -3.171) 17.271 15.406 ( -0.516 -0.874 -11.849) 11.892 16.462 ( -17.742 -12.258 17.040) 27.485 18.964 ( -13.229 -1.175 -30.226) 33.015 19.642 ( 1.019 -1.666 0.816) 2.117 20.141 ( 2.036 2.530 -8.301) 8.914 21.267 ( -8.666 1.478 10.856) 13.969 21.463 ( 20.855 -6.404 11.341) 24.588 24.311 ( 2.135 4.081 -2.318) 5.156 24.474 ( 0.238 2.804 -3.384) 4.401 ======================= 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 7.23e-05 7.23e-05 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| 2.049 ( 2.299 16.264 11.898) 20.282 2.178 ( 4.592 14.198 17.974) 23.361 2.899 ( 5.416 5.717 7.581) 10.931 3.216 ( 3.616 -9.464 1.824) 10.294 3.379 ( -0.695 -8.950 8.913) 12.650 3.780 ( 6.537 10.982 13.800) 18.809 3.954 ( -5.638 8.884 -4.350) 11.386 4.342 ( 4.248 5.623 -3.767) 7.991 4.684 ( -3.098 -1.305 0.301) 3.375 4.913 ( -3.918 0.626 5.001) 6.384 5.379 ( 4.958 -3.528 2.896) 6.739 5.818 ( 6.214 -4.939 6.885) 10.508 6.182 ( 0.849 6.343 -2.335) 6.812 7.617 ( -3.871 14.871 15.756) 22.009 7.907 ( -1.108 5.145 -5.312) 7.478 8.388 ( 6.410 5.003 4.253) 9.177 8.732 ( -3.043 14.868 7.031) 16.726 8.947 ( 0.993 10.848 10.721) 15.284 9.731 ( -5.838 -1.309 0.629) 6.016 10.210 ( 5.533 -7.349 -7.703) 11.998 10.692 ( 22.733 4.167 18.532) 29.624 11.333 ( 9.957 -14.961 -0.055) 17.971 12.496 ( -6.397 12.434 -4.285) 14.625 12.992 ( 7.580 6.921 -11.333) 15.290 13.795 ( -0.327 -1.036 -1.355) 1.737 14.549 ( -7.998 -7.541 -8.058) 13.630 15.065 ( 2.499 -17.188 -2.514) 17.549 15.350 ( -2.198 1.942 -10.514) 10.915 16.273 ( -3.333 -5.765 12.510) 14.172 18.682 ( -6.575 -1.981 -19.183) 20.375 19.638 ( -2.991 -1.486 -1.578) 3.693 20.079 ( -6.504 2.782 -7.404) 10.240 20.973 ( -18.802 3.614 7.234) 20.467 22.027 ( 28.866 -13.933 7.974) 33.030 24.286 ( -4.761 5.056 -1.999) 7.227 24.479 ( 1.311 0.745 -3.615) 3.917 ======================= 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 7.23e-05 7.23e-05 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| 2.107 ( 2.220 15.853 11.008) 19.427 2.357 ( 9.143 9.927 13.767) 19.279 3.030 ( 5.223 -1.295 2.405) 5.895 3.290 ( 3.891 -11.014 -2.370) 11.920 3.377 ( -1.432 -9.795 7.925) 12.680 3.787 ( -8.283 6.003 -2.512) 10.533 4.035 ( 13.528 14.191 12.819) 23.425 4.353 ( -3.238 6.161 -5.953) 9.159 4.620 ( -3.433 -3.674 -2.916) 5.812 4.883 ( 1.448 0.013 7.117) 7.263 5.496 ( 5.657 1.205 3.608) 6.817 5.952 ( 4.676 -5.731 3.532) 8.196 6.219 ( 3.833 6.281 -0.040) 7.358 7.529 ( -7.783 12.203 15.100) 20.916 7.896 ( -0.260 5.997 -1.859) 6.284 8.474 ( -0.362 10.090 0.998) 10.146 8.696 ( 0.085 16.183 8.792) 18.417 8.985 ( -1.052 10.626 14.489) 17.999 9.604 ( -2.834 -6.806 -1.348) 7.495 10.386 ( 11.648 -4.252 -8.507) 15.037 11.191 ( 21.368 3.742 19.099) 28.903 11.530 ( 8.562 -10.212 -4.518) 14.071 12.365 ( -4.596 12.933 -4.149) 14.339 13.121 ( 6.978 1.942 -6.716) 9.877 13.714 ( -7.237 2.008 3.078) 8.117 14.351 ( -9.777 -9.629 -9.707) 16.808 15.072 ( -1.094 -13.646 -4.629) 14.452 15.298 ( -0.772 2.200 -4.568) 5.128 16.416 ( 15.722 -1.493 2.124) 15.935 18.636 ( 4.444 -7.052 -9.473) 12.618 19.496 ( -10.934 -0.694 -2.365) 11.208 19.881 ( -10.523 1.411 -6.454) 12.425 20.616 ( -18.753 7.034 7.383) 21.346 22.573 ( 24.806 -17.228 3.833) 30.444 24.122 ( -10.777 4.304 -4.830) 12.569 24.497 ( 0.961 -0.088 -2.488) 2.669 ======================= 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 7.23e-05 7.23e-05 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| 2.213 ( 6.317 10.985 9.083) 15.591 2.577 ( 9.967 7.774 8.929) 15.476 3.082 ( -0.450 -3.405 -1.295) 3.671 3.280 ( -5.278 -11.188 6.713) 14.075 3.425 ( 5.018 -12.031 -3.710) 13.553 3.632 ( -5.900 7.649 -2.790) 10.055 4.122 ( -8.217 4.469 -14.093) 16.914 4.414 ( 8.842 11.621 6.316) 15.909 4.532 ( -0.305 -6.170 0.348) 6.187 5.005 ( 7.306 0.831 11.489) 13.640 5.606 ( 4.392 4.891 4.152) 7.775 5.986 ( -1.752 -3.146 2.913) 4.631 6.350 ( 9.008 6.293 1.712) 11.120 7.400 ( -8.243 9.312 14.925) 19.427 7.868 ( -2.448 6.241 0.417) 6.717 8.375 ( -8.273 9.360 -0.190) 12.493 8.764 ( 2.331 14.534 11.349) 18.587 8.973 ( -2.040 13.464 12.953) 18.794 9.686 ( 10.747 -5.913 -1.570) 12.367 10.591 ( 10.532 -3.970 -6.601) 13.048 11.452 ( -3.543 -5.028 -2.234) 6.544 11.680 ( 11.943 9.885 7.784) 17.348 12.347 ( 3.150 9.499 -1.866) 10.180 13.207 ( 1.502 -2.336 2.230) 3.561 13.581 ( -5.233 1.733 2.587) 6.090 14.127 ( -10.461 -11.390 -10.998) 18.976 15.020 ( -2.129 -4.259 -5.244) 7.083 15.291 ( -0.008 -2.639 -0.289) 2.655 16.861 ( 28.605 0.483 -6.224) 29.278 18.771 ( 9.629 -9.090 -4.170) 13.883 19.218 ( -15.706 0.558 -2.835) 15.969 19.698 ( -5.670 -1.290 -2.841) 6.472 20.260 ( -19.572 9.418 8.822) 23.443 23.023 ( 20.385 -17.118 1.198) 26.646 23.847 ( -15.373 1.818 -8.137) 17.488 24.502 ( 0.096 0.183 -2.333) 2.342 ======================= 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 7.23e-05 7.23e-05 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| 2.384 ( 8.652 4.262 6.375) 11.561 2.761 ( 6.052 8.067 2.637) 10.424 2.991 ( -8.382 -7.037 0.309) 10.949 3.191 ( -4.078 -4.914 8.337) 10.502 3.444 ( -3.321 -7.263 -6.901) 10.555 3.584 ( 1.718 2.691 -4.609) 5.607 3.922 ( -5.686 0.985 -17.450) 18.379 4.316 ( -7.664 -4.424 -10.920) 14.056 4.805 ( 14.991 5.983 13.560) 21.081 5.174 ( 6.000 1.203 13.540) 14.859 5.680 ( 2.067 6.957 4.316) 8.444 5.921 ( -4.935 -0.820 4.250) 6.564 6.560 ( 11.237 8.193 2.758) 14.178 7.287 ( -6.524 6.838 14.663) 17.445 7.806 ( -3.971 5.683 2.354) 7.322 8.190 ( -9.678 3.878 -0.059) 10.426 8.796 ( -0.783 10.164 8.785) 13.457 9.008 ( 1.916 20.726 14.121) 25.153 9.939 ( 12.890 -3.893 -2.666) 13.727 10.771 ( 9.037 -2.800 -2.448) 9.773 11.207 ( -15.575 -0.522 -12.979) 20.281 11.929 ( 9.330 14.391 12.671) 21.323 12.394 ( 0.111 6.407 -3.454) 7.280 13.175 ( -5.866 1.196 10.980) 12.506 13.567 ( 3.768 -12.203 -1.086) 12.818 13.897 ( -9.865 -8.207 -12.570) 17.963 14.989 ( 0.206 1.217 -3.497) 3.708 15.283 ( -0.874 -4.726 0.740) 4.863 17.466 ( 33.552 2.918 -9.675) 35.040 18.890 ( -13.362 -1.221 -7.666) 15.453 18.967 ( 8.043 -2.847 0.410) 8.542 19.638 ( -5.341 -0.863 -1.072) 5.516 19.918 ( -12.266 4.696 15.955) 20.665 23.363 ( 7.729 -16.315 -9.714) 20.501 23.514 ( -9.531 -0.191 -2.283) 9.803 24.489 ( -0.836 0.785 -3.106) 3.311 ======================= 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 7.23e-05 7.23e-05 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| 2.539 ( 3.754 -1.677 3.231) 5.229 2.714 ( -11.691 2.737 2.188) 12.205 2.872 ( -1.198 2.365 -2.000) 3.321 3.162 ( -1.958 -2.137 3.010) 4.179 3.325 ( -3.869 -4.589 -6.134) 8.582 3.615 ( 1.787 2.222 -3.833) 4.777 3.862 ( 2.652 -6.165 -12.288) 14.002 4.155 ( -5.420 -2.216 -11.693) 13.078 5.089 ( 10.266 4.661 10.809) 15.619 5.263 ( -1.046 2.146 13.470) 13.680 5.703 ( -0.943 7.907 4.017) 8.919 5.847 ( -2.571 0.608 5.802) 6.375 6.787 ( 10.361 9.003 4.365) 14.403 7.203 ( -5.838 4.277 14.138) 15.882 7.734 ( -3.469 4.567 2.379) 6.209 8.020 ( -6.989 0.095 0.365) 6.999 8.807 ( 0.523 9.664 6.139) 11.461 9.070 ( 0.251 20.914 15.791) 26.207 10.086 ( 1.297 -3.317 -5.663) 6.689 10.849 ( -15.598 2.037 -9.233) 18.240 10.952 ( 8.041 0.169 -0.551) 8.062 12.092 ( 3.276 11.650 7.930) 14.469 12.330 ( -3.517 9.717 -3.002) 10.761 13.055 ( -7.661 0.201 8.219) 11.238 13.629 ( -5.518 -11.891 -5.448) 14.196 13.770 ( 7.591 -11.644 -6.258) 15.243 15.006 ( 1.708 1.259 -2.692) 3.427 15.267 ( -0.574 -3.503 0.728) 3.624 18.105 ( 32.552 5.461 -9.592) 34.373 18.608 ( -11.552 0.124 -8.501) 14.343 19.175 ( 12.086 1.545 1.260) 12.250 19.265 ( -26.323 6.112 1.819) 27.084 20.046 ( 14.132 -8.396 20.365) 26.171 23.014 ( -21.993 -9.246 -19.786) 30.995 23.736 ( 14.284 -7.137 3.138) 16.273 24.454 ( -1.820 1.245 -4.523) 5.032 ======================= 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 7.23e-05 7.23e-05 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| 2.433 ( -14.142 -1.533 -0.407) 14.231 2.480 ( -11.096 10.098 4.501) 15.664 2.901 ( 2.731 -1.402 -4.040) 5.074 3.113 ( 1.131 -1.605 -5.861) 6.181 3.311 ( -0.203 -4.920 1.943) 5.294 3.630 ( 0.977 -0.526 1.492) 1.860 3.952 ( 6.923 -0.554 -6.509) 9.519 4.052 ( -1.756 -1.992 -12.248) 12.533 5.158 ( -8.500 4.971 9.770) 13.872 5.267 ( 2.051 2.694 10.566) 11.095 5.660 ( -4.129 7.651 4.028) 9.581 5.862 ( 1.884 1.146 5.736) 6.146 6.933 ( -0.695 1.423 6.315) 6.511 7.127 ( -2.015 6.468 13.274) 14.903 7.698 ( 0.078 3.323 -1.116) 3.506 7.941 ( -0.895 -0.084 2.637) 2.786 8.844 ( 1.753 8.454 4.068) 9.544 9.078 ( -3.135 18.903 15.587) 24.700 9.967 ( -10.304 -4.200 -6.705) 12.991 10.539 ( -13.796 5.543 -2.865) 15.142 11.081 ( 3.084 2.195 -0.053) 3.786 11.985 ( -12.301 -2.453 -3.377) 12.990 12.390 ( 7.762 23.349 5.079) 25.124 12.941 ( -4.720 -0.258 2.468) 5.333 13.456 ( -7.267 -4.234 -8.218) 11.759 14.023 ( 15.648 -18.673 -0.999) 24.383 15.015 ( -0.710 -2.708 -2.525) 3.770 15.280 ( 2.122 -0.008 -0.561) 2.195 18.347 ( -12.588 2.024 -7.312) 14.698 18.694 ( 11.808 -2.184 -3.190) 12.425 18.784 ( -4.916 9.010 -2.633) 10.596 19.451 ( 15.061 3.898 2.864) 15.819 20.437 ( 19.294 -8.630 23.510) 31.614 22.497 ( -25.417 -11.577 -23.033) 36.202 23.996 ( 11.118 -2.785 2.216) 11.674 24.401 ( -2.065 1.228 -6.219) 6.667 ======================= 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 7.23e-05 7.23e-05 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| 2.140 ( -14.134 6.495 0.952) 15.584 2.269 ( -10.717 14.485 7.696) 19.594 2.900 ( -0.421 -4.736 -3.545) 5.931 3.195 ( 1.485 -9.751 -1.002) 9.914 3.300 ( 3.242 4.625 2.491) 6.173 3.684 ( 3.060 -0.901 3.997) 5.114 3.913 ( -5.580 7.903 -5.139) 10.955 4.162 ( 10.300 -4.625 -8.762) 14.291 4.974 ( -10.341 4.551 8.544) 14.166 5.262 ( -5.258 2.573 8.606) 10.409 5.566 ( -6.011 5.088 3.453) 8.599 5.908 ( 0.859 1.355 4.521) 4.797 6.743 ( -15.858 -7.198 6.529) 18.599 7.223 ( 5.364 10.521 13.017) 17.575 7.742 ( 5.432 2.749 -7.206) 9.433 7.993 ( 4.494 1.340 7.182) 8.577 8.863 ( -2.570 5.902 4.107) 7.636 9.034 ( -2.879 16.054 11.371) 19.882 9.727 ( -11.235 -3.599 -4.350) 12.573 10.287 ( -11.790 10.188 4.797) 16.304 11.049 ( -5.885 1.625 -1.554) 6.300 11.695 ( -14.941 -7.000 -5.047) 17.254 12.562 ( 7.109 24.003 5.014) 25.531 12.884 ( -0.867 5.326 -6.680) 8.587 13.348 ( -1.645 -5.319 -2.902) 6.279 14.343 ( 16.550 -18.682 -2.140) 25.050 14.968 ( -3.190 -5.104 -1.983) 6.338 15.337 ( 3.552 1.021 -3.346) 4.986 17.903 ( -28.968 -0.377 3.925) 29.235 18.595 ( 4.387 -7.451 -5.940) 10.490 19.228 ( 23.399 9.565 -6.794) 26.176 19.757 ( 14.525 2.779 2.819) 15.055 20.877 ( 18.647 -4.918 24.992) 31.567 21.914 ( -27.920 -11.419 -24.221) 38.686 24.168 ( 5.496 2.115 0.172) 5.892 24.365 ( 0.766 0.245 -6.417) 6.467 ======================= 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 7.23e-05 7.23e-05 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| 1.927 ( -7.636 12.594 7.804) 16.668 2.114 ( -6.986 18.593 11.220) 22.812 2.905 ( 1.206 -5.933 2.126) 6.417 3.107 ( -7.349 -0.726 7.311) 10.392 3.458 ( 6.713 -0.314 0.774) 6.765 3.721 ( 0.928 2.112 -3.104) 3.867 3.812 ( -3.291 8.418 4.375) 10.042 4.311 ( 5.753 0.820 -8.295) 10.128 4.845 ( -3.397 0.669 6.250) 7.145 5.111 ( -11.182 2.478 8.412) 14.210 5.451 ( -5.975 0.207 2.050) 6.321 5.893 ( -3.967 -1.238 5.265) 6.707 6.438 ( -14.316 -2.762 3.627) 15.024 7.357 ( 5.084 10.402 13.580) 17.846 7.872 ( 9.296 4.582 -11.449) 15.443 8.125 ( 6.326 0.488 10.901) 12.612 8.714 ( -12.506 5.843 7.350) 15.639 9.056 ( 1.787 10.230 5.137) 11.586 9.544 ( -5.645 -0.120 -2.665) 6.243 10.118 ( -6.578 13.298 11.327) 18.666 10.863 ( -11.962 -0.982 -1.522) 12.098 11.410 ( -12.106 -10.645 -4.485) 16.733 12.661 ( 1.852 17.661 4.032) 18.210 12.861 ( 0.927 12.651 -15.611) 20.115 13.397 ( 6.422 -4.518 1.628) 8.019 14.641 ( 13.820 -18.080 -3.833) 23.077 14.891 ( -4.042 -5.415 -1.749) 6.980 15.392 ( 2.990 -0.130 -6.631) 7.275 17.340 ( -28.509 -7.892 9.904) 31.195 18.794 ( 15.802 -7.911 -9.338) 19.987 19.605 ( 15.673 8.180 -6.295) 18.766 19.996 ( 8.168 -0.982 -1.607) 8.383 21.202 ( 0.763 0.023 13.289) 13.311 21.371 ( -12.677 -7.199 -7.414) 16.356 24.219 ( 1.659 4.186 -4.465) 6.342 24.410 ( 3.715 1.042 -2.963) 4.865 ======================= 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 7.23e-05 7.23e-05 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| 1.881 ( -0.225 13.724 15.083) 20.394 2.052 ( -2.162 21.870 14.086) 26.103 2.907 ( -4.913 2.157 10.024) 11.369 3.033 ( 1.133 -0.028 7.357) 7.444 3.457 ( -4.651 -7.283 3.514) 9.328 3.747 ( -3.267 5.473 7.475) 9.824 3.847 ( 9.069 10.284 -4.017) 14.288 4.339 ( -0.448 5.483 -7.969) 9.683 4.843 ( -2.302 -1.190 3.294) 4.191 4.929 ( -5.085 1.720 9.404) 10.828 5.351 ( -4.157 -5.348 1.306) 6.898 5.788 ( -6.791 -3.784 9.337) 12.150 6.246 ( -5.527 5.209 -0.766) 7.633 7.485 ( 4.632 11.515 13.785) 18.549 8.015 ( 6.678 7.042 -14.237) 17.230 8.251 ( 0.645 3.737 10.813) 11.458 8.523 ( -3.272 0.400 11.289) 11.761 9.062 ( -3.237 8.874 4.639) 10.524 9.532 ( 5.484 3.887 -3.255) 7.468 10.097 ( 1.728 13.162 15.640) 20.514 10.594 ( -14.563 -5.372 -0.806) 15.543 11.223 ( -5.432 -13.727 -2.805) 15.027 12.668 ( -1.470 13.589 1.345) 13.734 12.853 ( 2.345 12.694 -16.860) 21.234 13.567 ( 9.423 -1.656 0.052) 9.567 14.799 ( -3.765 -8.947 -4.167) 10.564 14.864 ( 8.565 -13.852 -2.919) 16.545 15.419 ( 1.614 -1.360 -9.876) 10.099 16.846 ( -24.243 -13.198 14.779) 31.310 19.072 ( 11.328 -7.358 -20.195) 24.296 19.721 ( -5.211 2.625 -6.251) 8.551 20.071 ( 4.704 -0.401 -9.548) 10.651 21.068 ( 4.343 0.846 6.682) 8.014 21.426 ( -0.935 -0.446 15.212) 15.247 24.256 ( 3.309 4.076 -4.578) 6.966 24.463 ( 1.888 2.773 -2.307) 4.071 ======================= 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 7.23e-05 7.23e-05 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| 2.178 ( 4.392 6.985 10.534) 13.381 2.444 ( -3.150 12.179 17.030) 21.173 2.882 ( 2.760 -2.253 8.295) 9.028 3.044 ( 4.464 -5.695 10.464) 12.722 3.221 ( -8.457 -2.332 3.274) 9.363 3.859 ( 0.300 3.389 4.354) 5.525 4.151 ( 5.584 6.201 6.653) 10.672 4.422 ( -1.535 3.994 -6.929) 8.144 4.785 ( -3.903 3.038 1.987) 5.331 4.917 ( -2.734 -3.578 3.344) 5.609 5.189 ( 3.490 -3.664 0.286) 5.068 5.657 ( -0.788 -2.657 11.356) 11.689 6.280 ( -0.895 2.270 -3.784) 4.502 7.837 ( 3.351 8.684 14.597) 17.312 8.101 ( -4.809 4.078 -5.321) 8.250 8.213 ( 0.283 -6.631 10.554) 12.467 8.785 ( 17.527 4.569 8.050) 19.821 9.209 ( -2.733 9.196 4.672) 10.671 9.744 ( 9.204 0.843 -1.748) 9.407 10.100 ( -17.064 -8.149 0.082) 18.911 10.532 ( 8.328 13.823 12.551) 20.444 10.871 ( 2.067 -15.017 5.536) 16.138 12.832 ( -4.039 7.031 -2.167) 8.393 13.040 ( 1.965 3.711 -9.763) 10.628 13.763 ( 6.653 3.494 -4.166) 8.592 14.449 ( -1.173 -12.931 -12.211) 17.824 14.783 ( 1.671 -3.334 -0.100) 3.730 15.413 ( 0.300 0.459 -11.026) 11.040 16.302 ( -14.483 -3.661 13.268) 19.980 18.941 ( -9.603 -0.697 -33.314) 34.677 19.621 ( -0.090 -0.456 0.858) 0.976 20.177 ( 3.039 0.858 -10.425) 10.893 21.301 ( -6.510 1.820 11.266) 13.138 21.362 ( 13.234 -3.398 12.871) 18.771 24.376 ( 3.139 1.902 -2.302) 4.333 24.498 ( -1.442 0.117 -1.229) 1.898 ======================= 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 7.23e-05 7.23e-05 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| 2.304 ( 5.469 7.431 8.461) 12.518 2.448 ( -0.199 9.521 17.255) 19.708 2.954 ( 3.086 -1.081 4.139) 5.275 3.073 ( -2.524 -2.215 2.787) 4.364 3.173 ( 1.168 -8.236 9.991) 13.000 3.871 ( -0.286 0.904 6.391) 6.461 4.267 ( 3.241 15.112 4.252) 16.030 4.416 ( 4.365 0.255 -2.283) 4.933 4.688 ( -5.892 2.200 -0.907) 6.354 4.823 ( -6.219 -8.085 1.403) 10.296 5.342 ( 9.720 -0.241 1.479) 9.835 5.724 ( 4.639 -3.106 8.915) 10.519 6.273 ( 0.977 2.292 -2.472) 3.510 7.867 ( -6.777 8.069 18.568) 21.350 7.985 ( -0.592 2.087 -4.880) 5.340 8.345 ( 7.701 -4.437 9.473) 12.990 9.088 ( 8.808 11.874 3.201) 15.127 9.168 ( -1.832 10.393 7.923) 13.196 9.644 ( -15.361 -6.522 -0.533) 16.697 10.061 ( 10.713 -5.277 -2.200) 12.143 10.826 ( 18.268 8.532 14.315) 24.727 11.042 ( 12.889 -12.466 6.479) 19.066 12.731 ( -5.244 8.078 -3.190) 10.145 13.071 ( 2.753 1.022 -7.745) 8.283 13.837 ( 1.721 4.010 -4.162) 6.030 14.334 ( -7.291 -10.863 -12.766) 18.280 14.826 ( 2.551 -4.787 -0.343) 5.435 15.381 ( -0.905 0.776 -10.925) 10.990 16.191 ( 1.102 -2.048 9.617) 9.894 18.654 ( -9.031 -0.671 -23.576) 25.256 19.617 ( -2.605 -0.523 -1.611) 3.107 20.119 ( -6.546 1.028 -9.938) 11.945 21.031 ( -16.608 1.664 8.011) 18.514 21.825 ( 24.381 -5.163 10.514) 27.049 24.381 ( -5.008 3.868 -1.989) 6.633 24.460 ( 0.456 -2.144 -1.611) 2.720 ======================= 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 7.23e-05 7.23e-05 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 ( 2.205 10.350 8.197) 13.386 2.533 ( 5.292 5.583 13.287) 15.353 3.017 ( 2.417 -0.313 1.572) 2.900 3.080 ( 2.670 -7.364 0.520) 7.850 3.175 ( -2.849 -7.261 5.062) 9.299 3.856 ( -3.107 1.449 5.627) 6.589 4.316 ( 1.470 8.209 -6.976) 10.872 4.516 ( 2.051 10.728 3.326) 11.417 4.553 ( -6.267 -1.646 -4.737) 8.027 4.772 ( 3.437 -10.291 8.395) 13.718 5.537 ( 9.173 1.992 2.057) 9.610 5.846 ( 4.934 -3.536 6.406) 8.825 6.317 ( 4.220 2.660 0.534) 5.017 7.721 ( -10.293 5.497 16.523) 20.228 7.994 ( 0.248 2.936 -0.990) 3.109 8.475 ( 0.432 -3.446 8.650) 9.321 9.096 ( -1.456 18.340 0.985) 18.424 9.236 ( 2.196 8.863 8.560) 12.516 9.432 ( -3.385 -10.285 -0.613) 10.845 10.281 ( 11.160 -4.536 -1.395) 12.127 11.229 ( 14.702 0.123 8.601) 17.033 11.375 ( 19.947 -3.556 9.597) 22.419 12.632 ( -3.517 10.145 -1.635) 10.862 13.092 ( 0.394 -3.451 -4.917) 6.020 13.815 ( -3.072 7.079 -3.373) 8.422 14.118 ( -11.166 -11.580 -11.457) 19.749 14.879 ( 2.834 -4.258 -0.688) 5.161 15.333 ( -1.526 0.878 -8.604) 8.782 16.394 ( 17.854 -0.542 1.677) 17.941 18.536 ( 1.505 -2.469 -13.692) 13.994 19.486 ( -9.971 -0.262 -3.192) 10.473 19.901 ( -12.111 0.489 -7.348) 14.174 20.725 ( -16.307 3.042 8.156) 18.485 22.319 ( 23.246 -6.645 6.249) 24.972 24.191 ( -12.570 1.958 -5.140) 13.721 24.483 ( 1.338 -0.701 -0.789) 1.705 ======================= 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 7.23e-05 7.23e-05 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| 2.456 ( 2.083 11.017 7.522) 13.502 2.685 ( 6.689 -0.058 9.659) 11.749 3.031 ( -3.622 -0.098 0.256) 3.633 3.081 ( -1.491 -5.268 3.400) 6.445 3.199 ( 6.084 -8.983 -5.692) 12.251 3.779 ( -5.252 4.917 2.970) 7.783 4.201 ( -8.649 2.898 -19.218) 21.273 4.364 ( -8.675 -5.733 -9.020) 13.765 4.677 ( 10.587 9.344 10.330) 17.496 4.954 ( 9.567 -4.576 14.823) 18.226 5.700 ( 6.509 3.319 2.796) 7.823 5.913 ( 0.150 -2.843 5.487) 6.182 6.461 ( 10.000 3.233 2.702) 10.852 7.558 ( -9.635 4.981 16.638) 19.861 7.970 ( -2.724 3.070 0.990) 4.222 8.350 ( -12.560 -4.989 4.086) 14.119 9.101 ( 0.566 15.131 -4.154) 15.701 9.292 ( 2.302 10.987 11.006) 15.721 9.536 ( 12.216 -8.327 4.553) 15.469 10.491 ( 10.487 -4.228 -0.085) 11.308 11.360 ( -1.090 -2.708 -7.419) 7.973 11.804 ( 18.020 2.555 15.285) 23.767 12.616 ( 1.811 13.656 2.784) 14.054 13.059 ( -2.667 -10.258 0.079) 10.599 13.674 ( -11.322 6.656 -4.690) 13.946 13.900 ( -6.997 -9.942 -8.392) 14.772 14.929 ( 2.391 -2.697 -1.047) 3.753 15.287 ( -1.328 0.599 -5.965) 6.140 16.874 ( 30.309 0.519 -5.547) 30.816 18.635 ( 10.070 -3.582 -6.669) 12.598 19.228 ( -14.598 0.312 -4.408) 15.252 19.677 ( -8.040 -0.593 -2.144) 8.343 20.404 ( -18.887 3.905 8.997) 21.281 22.764 ( 20.756 -6.877 2.883) 22.055 23.875 ( -17.595 0.715 -7.833) 19.273 24.501 ( 0.639 -0.127 -1.599) 1.727 ======================= 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 7.23e-05 7.23e-05 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| 2.510 ( 1.528 6.937 5.058) 8.720 2.782 ( -2.087 -8.279 8.603) 12.121 2.958 ( 1.149 6.504 -2.336) 7.006 3.085 ( 0.247 -3.265 1.926) 3.799 3.290 ( 3.662 -6.665 -9.800) 12.405 3.671 ( -6.207 3.547 0.480) 7.165 3.972 ( -8.142 3.148 -20.469) 22.253 4.189 ( -5.958 -5.931 -11.247) 14.042 4.931 ( 11.719 4.516 11.641) 17.125 5.165 ( 7.509 -1.318 16.131) 17.842 5.799 ( 2.658 3.954 3.669) 6.013 5.890 ( -3.147 -1.814 6.236) 7.217 6.699 ( 12.433 3.971 3.142) 13.424 7.431 ( -6.925 5.769 16.610) 18.898 7.896 ( -5.000 2.742 2.596) 6.265 8.084 ( -13.849 -7.720 1.577) 15.933 9.091 ( 0.664 12.661 -10.429) 16.416 9.361 ( 1.047 10.036 15.832) 18.774 9.831 ( 13.282 -5.395 6.890) 15.906 10.707 ( 11.695 -2.506 0.993) 12.002 11.185 ( -12.569 -0.925 -14.918) 19.529 12.111 ( 9.111 3.306 12.236) 15.610 12.656 ( -0.228 18.437 3.806) 18.827 13.050 ( 2.487 -16.219 8.494) 18.476 13.396 ( -13.420 -1.292 -5.324) 14.496 13.774 ( -5.205 -3.499 -9.142) 11.087 14.964 ( 1.210 -1.848 -1.083) 2.460 15.261 ( 0.015 0.786 -3.855) 3.934 17.519 ( 35.704 1.681 -9.259) 36.924 18.828 ( 1.460 -2.548 -8.175) 8.687 18.963 ( -2.109 0.618 0.093) 2.200 19.600 ( -0.646 -1.502 1.574) 2.270 20.017 ( -21.645 3.165 12.775) 25.332 23.110 ( 9.691 -6.812 -5.857) 13.214 23.515 ( -12.136 0.090 -4.136) 12.822 24.499 ( -0.392 0.195 -3.092) 3.123 ======================= 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 7.23e-05 7.23e-05 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| 2.516 ( -2.583 -0.366 2.039) 3.311 2.688 ( -5.671 -2.254 5.921) 8.503 3.010 ( 0.260 6.726 -6.524) 9.375 3.100 ( 1.418 -2.764 -0.086) 3.108 3.288 ( -0.726 0.779 -7.155) 7.234 3.535 ( -5.907 -6.760 -3.099) 9.497 3.854 ( 0.616 2.744 -13.642) 13.929 4.100 ( -0.521 -2.401 -10.879) 11.153 5.165 ( 8.793 2.172 10.894) 14.168 5.289 ( 0.550 0.482 14.728) 14.746 5.821 ( -0.834 3.114 5.108) 6.040 5.849 ( -2.039 -0.136 6.407) 6.725 6.917 ( 7.144 2.933 4.428) 8.902 7.359 ( -4.171 9.270 16.093) 19.035 7.798 ( -5.339 0.861 4.300) 6.909 7.853 ( -8.133 -10.078 -1.947) 13.096 9.088 ( 1.418 11.588 -11.189) 16.171 9.394 ( -1.724 8.611 17.395) 19.486 9.992 ( 0.236 -4.536 4.983) 6.742 10.868 ( -14.024 0.144 -10.407) 17.464 10.953 ( 11.570 -0.026 -0.839) 11.600 12.157 ( -7.353 -0.365 3.652) 8.218 12.685 ( 4.477 19.079 8.281) 21.275 13.078 ( -7.294 -0.280 7.341) 10.352 13.287 ( 8.254 -16.508 -1.682) 18.532 13.633 ( -6.396 -2.963 -11.421) 13.421 14.968 ( -0.618 -2.384 -0.906) 2.624 15.275 ( 2.094 1.661 -3.038) 4.046 18.194 ( 33.427 2.598 -9.610) 34.878 18.603 ( -10.895 -0.425 -9.855) 14.697 19.203 ( 14.821 1.266 3.726) 15.335 19.373 ( -25.328 3.069 -0.832) 25.527 19.901 ( 9.451 -4.452 21.557) 23.955 22.858 ( -22.523 -4.565 -19.231) 29.966 23.646 ( 15.585 -1.904 4.891) 16.445 24.470 ( -1.635 0.326 -4.891) 5.167 ======================= 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 7.23e-05 7.23e-05 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| 2.408 ( -7.759 -0.654 1.190) 7.877 2.627 ( -2.546 3.280 3.685) 5.552 2.911 ( -6.179 1.424 -7.643) 9.931 3.076 ( -3.983 -1.648 -6.654) 7.928 3.306 ( 3.833 5.642 2.156) 7.153 3.500 ( 2.723 -10.518 0.878) 10.900 3.910 ( 7.091 -0.738 -10.483) 12.677 4.090 ( 0.865 1.863 -9.509) 9.729 5.235 ( -8.021 2.125 11.024) 13.798 5.306 ( 2.367 0.943 9.584) 9.917 5.775 ( -5.144 3.092 3.399) 6.897 5.866 ( 1.665 -0.256 8.381) 8.548 6.908 ( -10.078 -1.336 6.649) 12.148 7.365 ( 1.717 12.577 15.440) 19.989 7.743 ( -0.655 0.418 1.251) 1.473 7.784 ( 1.822 -10.597 -2.067) 10.949 9.089 ( 0.653 10.106 -8.888) 13.474 9.367 ( -4.876 7.910 16.747) 19.152 9.869 ( -11.457 -4.369 -0.372) 12.267 10.618 ( -9.627 1.831 -0.821) 9.834 11.117 ( 3.598 1.118 -1.044) 3.910 11.899 ( -17.256 -3.452 0.508) 17.606 12.850 ( 7.449 18.148 9.925) 21.985 12.975 ( -0.832 1.653 0.137) 1.856 13.400 ( -4.178 0.484 -9.251) 10.162 13.612 ( 12.740 -19.057 -2.722) 23.085 14.936 ( -2.359 -2.815 -0.678) 3.734 15.322 ( 3.229 1.914 -3.659) 5.242 18.409 ( -6.656 3.309 -8.400) 11.216 18.586 ( -13.197 -4.891 2.296) 14.260 18.986 ( 10.585 6.436 -10.829) 16.454 19.515 ( 14.651 1.868 4.603) 15.470 20.278 ( 21.175 -5.219 24.664) 32.923 22.327 ( -25.874 -4.387 -21.049) 33.642 23.960 ( 14.318 -0.800 3.448) 14.749 24.414 ( -2.482 0.216 -6.703) 7.151 ======================= 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 7.23e-05 7.23e-05 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| 2.253 ( -7.791 3.501 2.220) 8.825 2.570 ( -3.910 13.027 3.382) 14.015 2.811 ( -2.185 -3.679 -2.566) 4.989 2.967 ( -5.264 -10.315 0.851) 11.612 3.428 ( 7.344 7.565 2.410) 10.815 3.596 ( 5.174 -7.137 2.683) 9.214 4.035 ( 2.879 2.830 -8.621) 9.520 4.094 ( 5.857 -1.127 -7.499) 9.581 5.059 ( -10.842 2.646 7.682) 13.548 5.297 ( -5.396 0.764 7.927) 9.620 5.643 ( -8.819 2.078 2.468) 9.391 5.900 ( -1.154 -0.994 7.492) 7.645 6.647 ( -14.816 -2.192 5.285) 15.882 7.463 ( 3.693 10.681 17.451) 20.791 7.781 ( 5.615 0.951 -6.112) 8.354 7.881 ( 6.255 -8.694 2.956) 11.111 9.045 ( -4.934 7.403 -2.640) 9.279 9.293 ( -5.000 8.404 11.569) 15.148 9.635 ( -10.115 -4.774 -1.502) 11.285 10.463 ( -7.082 5.361 6.284) 10.881 11.074 ( -7.209 0.851 -1.865) 7.495 11.532 ( -19.174 -6.116 0.804) 20.142 12.902 ( -0.236 7.361 3.907) 8.337 13.132 ( 11.720 13.674 0.397) 18.014 13.256 ( -5.547 -0.711 -10.976) 12.318 13.927 ( 17.205 -18.217 -3.457) 25.295 14.878 ( -3.200 -2.587 -0.402) 4.135 15.375 ( 2.910 1.448 -5.174) 6.111 17.918 ( -36.037 1.001 7.504) 36.823 18.465 ( 6.492 -3.949 -9.759) 12.368 19.395 ( 22.942 5.158 -11.955) 26.379 19.785 ( 11.201 0.223 3.714) 11.803 20.786 ( 22.789 -2.929 26.096) 34.770 21.761 ( -26.160 -3.480 -19.852) 33.023 24.209 ( 9.914 1.429 1.765) 10.171 24.354 ( -1.389 -0.819 -7.581) 7.750 ======================= 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 7.23e-05 7.23e-05 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| 2.133 ( -4.710 6.082 5.471) 9.439 2.515 ( -2.822 19.407 8.514) 21.379 2.794 ( -0.317 -3.750 4.278) 5.698 2.900 ( -1.663 -15.852 6.443) 17.192 3.532 ( -0.630 4.816 1.177) 4.997 3.701 ( 6.141 -2.672 2.258) 7.068 4.013 ( -0.277 8.119 -0.471) 8.138 4.268 ( 10.420 -3.851 -8.223) 13.821 4.886 ( -6.915 2.034 3.990) 8.238 5.146 ( -10.801 0.710 7.374) 13.097 5.450 ( -10.654 0.046 0.654) 10.674 5.832 ( -7.178 -2.668 8.777) 11.648 6.426 ( -7.796 0.258 1.570) 7.957 7.585 ( 4.650 9.873 17.322) 20.473 7.937 ( 11.042 1.665 -8.727) 14.173 8.009 ( 5.901 -8.278 6.867) 12.268 8.854 ( -14.086 4.853 5.107) 15.749 9.254 ( -1.068 7.937 5.022) 9.453 9.507 ( -1.917 -3.223 -1.157) 3.925 10.370 ( -3.917 8.582 9.652) 13.496 10.849 ( -14.580 -0.021 -1.673) 14.676 11.180 ( -16.052 -8.850 2.312) 18.475 12.906 ( -0.121 7.336 0.935) 7.396 13.125 ( -3.632 4.676 -11.876) 13.269 13.384 ( 11.976 6.459 -0.013) 13.607 14.230 ( 13.964 -16.892 -7.256) 23.086 14.815 ( -2.918 -1.896 -0.097) 3.481 15.409 ( 1.977 0.845 -7.097) 7.415 17.240 ( -33.486 -2.196 10.223) 35.080 18.675 ( 16.206 -3.127 -12.693) 20.821 19.761 ( 15.572 6.066 -9.867) 19.407 19.939 ( 3.554 -3.728 -3.261) 6.096 21.214 ( 7.060 0.948 16.865) 18.308 21.268 ( -11.543 -2.924 -3.747) 12.484 24.294 ( 0.920 2.606 -6.587) 7.143 24.403 ( 5.904 -1.107 -0.032) 6.007 ======================= 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 7.23e-05 7.23e-05 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| 2.105 ( 0.284 6.791 9.385) 11.588 2.481 ( -3.645 17.746 14.213) 23.026 2.816 ( 1.366 -4.243 9.370) 10.376 2.938 ( 3.211 -11.462 8.960) 14.899 3.408 ( -9.720 1.377 0.898) 9.858 3.819 ( 3.669 1.578 2.777) 4.865 4.049 ( 3.241 6.882 4.450) 8.813 4.417 ( 5.180 1.440 -7.749) 9.431 4.824 ( -0.903 -0.164 1.938) 2.144 4.965 ( -7.061 1.205 7.307) 10.232 5.253 ( -8.264 -3.053 -0.862) 8.852 5.707 ( -6.526 -2.879 11.375) 13.426 6.325 ( -3.073 2.013 -2.281) 4.324 7.718 ( 4.858 9.590 15.618) 18.960 8.067 ( 3.888 -3.401 1.487) 5.375 8.218 ( 10.305 -1.323 -3.004) 10.815 8.599 ( -8.430 3.226 10.905) 14.156 9.244 ( -1.584 7.182 4.058) 8.400 9.562 ( 7.339 -0.707 -1.616) 7.548 10.351 ( -2.247 6.897 10.687) 12.916 10.530 ( -14.880 2.169 0.380) 15.042 10.935 ( -8.978 -12.092 3.912) 15.560 12.892 ( -1.620 7.088 -0.689) 7.303 13.052 ( -0.948 4.457 -11.034) 11.938 13.602 ( 10.160 4.746 -2.555) 11.501 14.420 ( 6.939 -15.840 -10.467) 20.214 14.773 ( -0.969 -1.462 0.163) 1.761 15.421 ( 1.138 0.445 -9.195) 9.276 16.676 ( -25.780 -3.837 12.532) 28.920 18.966 ( 13.841 -2.683 -22.773) 26.784 19.761 ( -11.243 1.105 -7.409) 13.510 20.062 ( 10.331 -0.324 -10.832) 14.972 21.084 ( 2.879 0.467 8.517) 9.003 21.419 ( -0.072 -0.219 16.276) 16.278 24.318 ( 3.052 1.719 -5.139) 6.220 24.489 ( 2.523 0.275 -0.112) 2.540 ======================= 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 7.23e-05 7.23e-05 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| 1.390 ( -2.467 0.000 21.934) 22.073 1.609 ( 4.933 0.000 22.759) 23.288 2.787 ( 12.419 0.000 8.527) 15.065 3.153 ( 3.527 0.000 -12.167) 12.668 3.426 ( -4.018 0.000 26.888) 27.187 3.624 ( 7.468 0.000 1.782) 7.677 4.003 ( 2.756 0.000 -5.178) 5.866 4.057 ( 1.059 0.000 12.350) 12.396 4.930 ( -3.040 0.000 -0.553) 3.090 4.939 ( -11.185 0.000 8.693) 14.166 5.640 ( 3.740 0.000 4.716) 6.019 5.758 ( 4.643 0.000 5.626) 7.295 6.049 ( -12.568 0.000 10.632) 16.462 7.183 ( 3.169 0.000 -15.917) 16.229 7.202 ( -2.651 0.000 15.529) 15.754 8.051 ( -8.250 0.000 12.307) 14.817 8.267 ( -6.950 0.000 -6.749) 9.688 9.066 ( 10.391 0.000 -11.627) 15.594 9.330 ( 8.334 0.000 25.846) 27.156 10.552 ( 16.903 0.000 -0.277) 16.906 10.656 ( 1.238 0.000 -4.515) 4.682 10.850 ( -10.593 0.000 -10.140) 14.664 11.815 ( 5.832 0.000 -6.802) 8.960 12.368 ( 6.407 0.000 -13.713) 15.136 14.137 ( 7.073 0.000 6.338) 9.498 14.953 ( -2.970 0.000 -6.702) 7.330 15.130 ( -3.229 0.000 5.063) 6.005 15.521 ( 5.762 0.000 -13.674) 14.838 18.225 ( -64.741 0.000 2.278) 64.781 18.503 ( 19.879 0.000 -1.662) 19.949 19.828 ( 0.789 0.000 1.148) 1.393 19.926 ( -1.001 0.000 -0.714) 1.229 21.391 ( -23.425 0.000 10.095) 25.508 22.054 ( 54.640 0.000 -6.008) 54.969 23.719 ( 5.987 0.000 3.020) 6.706 24.060 ( -3.798 0.000 -4.474) 5.869 ======================= 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 7.23e-05 7.23e-05 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| 1.520 ( 10.019 0.000 20.476) 22.796 1.839 ( 12.956 0.000 15.243) 20.005 3.068 ( 13.027 0.000 -2.517) 13.268 3.191 ( 2.908 0.000 -14.145) 14.441 3.477 ( 3.174 0.000 29.919) 30.087 3.657 ( -2.463 0.000 -2.793) 3.724 4.024 ( 0.203 0.000 2.529) 2.537 4.222 ( 10.660 0.000 14.234) 17.783 4.722 ( -12.537 0.000 10.701) 16.483 4.851 ( -4.088 0.000 -3.943) 5.680 5.704 ( 1.595 0.000 4.044) 4.348 5.807 ( -0.835 0.000 5.106) 5.173 6.057 ( 8.245 0.000 5.490) 9.906 7.179 ( -3.448 0.000 18.540) 18.858 7.238 ( 5.762 0.000 -13.457) 14.639 7.938 ( -5.290 0.000 9.754) 11.096 8.073 ( -9.611 0.000 -6.585) 11.650 9.334 ( 17.205 0.000 -9.397) 19.604 9.512 ( 3.159 0.000 31.904) 32.060 10.614 ( -9.377 0.000 -12.130) 15.332 10.695 ( 3.523 0.000 -7.739) 8.503 10.946 ( 23.014 0.000 -10.748) 25.400 11.847 ( -1.197 0.000 -8.047) 8.135 12.526 ( 12.336 0.000 -12.875) 17.831 14.290 ( 5.981 0.000 4.096) 7.249 14.861 ( -4.511 0.000 -11.789) 12.622 15.031 ( -8.315 0.000 3.396) 8.981 15.591 ( 3.914 0.000 -7.997) 8.904 17.139 ( -42.933 0.000 21.176) 47.872 18.922 ( 22.008 0.000 4.232) 22.411 19.767 ( -7.246 0.000 1.381) 7.376 19.870 ( -4.749 0.000 -0.950) 4.843 20.851 ( -31.785 0.000 3.965) 32.031 22.977 ( 39.789 0.000 -18.025) 43.681 23.886 ( 9.441 0.000 3.447) 10.050 23.948 ( -6.361 0.000 -5.985) 8.735 ======================= 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 7.23e-05 7.23e-05 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| 1.839 ( 16.945 0.000 17.819) 24.590 2.146 ( 14.710 0.000 8.834) 17.159 3.189 ( 0.234 0.000 -15.945) 15.947 3.215 ( 1.671 0.000 -1.100) 2.001 3.577 ( -4.194 0.000 -4.173) 5.916 3.674 ( 10.909 0.000 5.518) 12.226 4.069 ( 3.321 0.000 18.184) 18.485 4.352 ( -7.447 0.000 5.630) 9.335 4.620 ( 5.617 0.000 18.937) 19.753 4.777 ( -2.073 0.000 -4.017) 4.520 5.719 ( -1.006 0.000 3.546) 3.686 5.810 ( 0.208 0.000 3.836) 3.842 6.227 ( 6.674 0.000 1.075) 6.760 7.163 ( -2.327 0.000 21.173) 21.301 7.334 ( 6.097 0.000 -9.694) 11.452 7.884 ( -8.034 0.000 -5.150) 9.543 7.894 ( -1.589 0.000 10.652) 10.770 9.607 ( -0.925 0.000 35.537) 35.549 9.650 ( 15.334 0.000 -4.747) 16.052 10.448 ( -2.433 0.000 -21.564) 21.701 10.774 ( 5.718 0.000 -4.074) 7.021 11.338 ( 16.614 0.000 -14.313) 21.929 11.751 ( -4.704 0.000 -6.370) 7.918 12.782 ( 16.427 0.000 -14.987) 22.236 14.300 ( -9.410 0.000 12.412) 15.576 14.708 ( -8.119 0.000 -15.079) 17.126 14.867 ( -5.555 0.000 2.575) 6.123 15.642 ( 2.542 0.000 -3.687) 4.479 16.715 ( -5.745 0.000 16.577) 17.544 19.351 ( 15.266 0.000 3.663) 15.699 19.583 ( -6.998 0.000 7.531) 10.280 19.738 ( -8.183 0.000 -1.361) 8.295 20.203 ( -33.280 0.000 -0.056) 33.280 23.523 ( 19.431 0.000 -23.128) 30.207 23.801 ( -5.225 0.000 -4.508) 6.901 24.080 ( 9.090 0.000 2.130) 9.336 ======================= 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 7.23e-05 7.23e-05 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| 2.239 ( 19.231 0.000 15.464) 24.677 2.448 ( 14.303 0.000 4.689) 15.052 3.128 ( -2.480 0.000 -17.082) 17.261 3.141 ( -8.444 0.000 1.640) 8.602 3.477 ( -5.342 0.000 -3.754) 6.529 3.882 ( 10.932 0.000 -12.159) 16.351 4.112 ( -14.570 0.000 7.358) 16.323 4.212 ( 3.961 0.000 17.441) 17.885 4.770 ( 2.647 0.000 1.449) 3.018 4.862 ( 11.308 0.000 15.310) 19.033 5.686 ( -2.895 0.000 2.912) 4.106 5.815 ( -1.092 0.000 1.621) 1.954 6.328 ( 4.031 0.000 3.622) 5.419 7.196 ( 0.929 0.000 21.828) 21.848 7.409 ( 2.681 0.000 -5.826) 6.413 7.741 ( -5.350 0.000 -2.443) 5.882 7.916 ( 0.750 0.000 13.840) 13.861 9.650 ( -2.870 0.000 37.522) 37.631 9.879 ( 8.463 0.000 -2.830) 8.924 10.443 ( 7.156 0.000 -26.809) 27.748 10.904 ( 8.152 0.000 -1.066) 8.221 11.337 ( -11.614 0.000 -12.387) 16.980 11.812 ( 9.886 0.000 -5.160) 11.152 13.087 ( 17.902 0.000 -19.653) 26.584 14.035 ( -17.145 0.000 20.148) 26.456 14.476 ( -11.504 0.000 -14.478) 18.492 14.848 ( 0.923 0.000 3.451) 3.573 15.669 ( 0.699 0.000 -2.032) 2.149 16.872 ( 16.299 0.000 4.597) 16.935 19.173 ( -18.294 0.000 -2.912) 18.524 19.555 ( -9.586 0.000 -1.830) 9.759 19.579 ( -28.180 0.000 -4.026) 28.466 19.907 ( 21.440 0.000 20.169) 29.436 23.519 ( -8.120 0.000 -17.045) 18.880 23.892 ( 10.172 0.000 -10.266) 14.451 24.236 ( 6.107 0.000 0.139) 6.108 ======================= 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 7.23e-05 7.23e-05 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| 2.647 ( 18.427 0.000 12.793) 22.432 2.723 ( 10.982 0.000 2.400) 11.241 2.931 ( -10.661 0.000 0.513) 10.673 3.028 ( -3.340 0.000 -16.407) 16.743 3.328 ( -10.137 0.000 1.692) 10.277 3.867 ( -10.693 0.000 4.817) 11.728 4.026 ( 3.398 0.000 -7.115) 7.885 4.228 ( -2.002 0.000 -3.416) 3.959 4.904 ( 8.346 0.000 9.724) 12.815 5.091 ( 8.235 0.000 12.208) 14.725 5.627 ( -3.331 0.000 2.141) 3.959 5.756 ( -5.079 0.000 1.188) 5.216 6.440 ( 6.378 0.000 8.414) 10.558 7.301 ( 4.739 0.000 19.863) 20.421 7.401 ( -2.126 0.000 -4.856) 5.301 7.672 ( -1.519 0.000 1.704) 2.283 7.977 ( 1.567 0.000 17.530) 17.600 9.671 ( -3.699 0.000 37.640) 37.821 9.993 ( 5.096 0.000 -8.275) 9.718 10.557 ( 8.937 0.000 -24.593) 26.166 11.003 ( -18.238 0.000 -9.416) 20.525 11.081 ( 8.913 0.000 2.789) 9.339 11.933 ( 2.020 0.000 -3.055) 3.662 13.348 ( 11.620 0.000 -27.741) 30.077 13.805 ( -10.046 0.000 18.422) 20.983 14.239 ( -7.482 0.000 -8.269) 11.151 14.881 ( 1.141 0.000 6.841) 6.935 15.654 ( -1.678 0.000 -2.533) 3.039 17.295 ( 24.781 0.000 -1.386) 24.820 18.789 ( -19.144 0.000 -5.935) 20.043 19.097 ( -18.648 0.000 -1.739) 18.729 19.371 ( -8.058 0.000 -2.029) 8.309 20.378 ( 20.820 0.000 22.696) 30.799 23.288 ( -10.852 0.000 -18.613) 21.546 24.026 ( 5.777 0.000 -8.746) 10.482 24.311 ( 1.469 0.000 -1.858) 2.368 ======================= 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 7.23e-05 7.23e-05 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| 2.582 ( -16.914 0.000 1.744) 17.003 2.936 ( -2.881 0.000 -12.007) 12.347 2.979 ( 8.766 0.000 1.623) 8.915 3.046 ( 13.715 0.000 -0.979) 13.750 3.086 ( -12.077 0.000 15.402) 19.572 3.747 ( -1.346 0.000 0.619) 1.482 3.883 ( -14.276 0.000 -3.229) 14.636 4.228 ( 1.052 0.000 -8.779) 8.842 5.083 ( 6.781 0.000 9.429) 11.614 5.228 ( 2.807 0.000 10.663) 11.027 5.575 ( -2.182 0.000 1.375) 2.580 5.649 ( -5.332 0.000 3.440) 6.345 6.613 ( 8.422 0.000 11.030) 13.878 7.328 ( -3.254 0.000 -6.356) 7.141 7.456 ( 6.218 0.000 15.835) 17.012 7.681 ( 1.653 0.000 4.214) 4.526 8.052 ( 1.567 0.000 20.015) 20.077 9.667 ( -5.437 0.000 33.427) 33.866 10.043 ( 1.931 0.000 -13.662) 13.798 10.612 ( -18.888 0.000 -3.605) 19.229 10.658 ( 6.368 0.000 -19.891) 20.885 11.236 ( 5.071 0.000 5.874) 7.760 11.875 ( -6.753 0.000 -1.189) 6.857 13.322 ( -7.094 0.000 -31.383) 32.175 13.719 ( -2.937 0.000 14.327) 14.625 14.248 ( 9.736 0.000 -4.703) 10.812 14.930 ( 2.092 0.000 9.345) 9.576 15.595 ( -3.393 0.000 -4.041) 5.277 17.799 ( 25.839 0.000 -1.420) 25.878 18.395 ( -17.933 0.000 -12.538) 21.881 18.881 ( -3.329 0.000 3.219) 4.631 19.254 ( -2.683 0.000 -1.583) 3.115 20.819 ( 18.278 0.000 25.057) 31.015 22.999 ( -13.861 0.000 -24.351) 28.020 24.095 ( 3.062 0.000 -4.993) 5.857 24.283 ( -3.638 0.000 -3.417) 4.991 ======================= 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 7.23e-05 7.23e-05 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| 2.227 ( -19.046 0.000 2.903) 19.266 2.676 ( -21.313 0.000 11.259) 24.104 2.929 ( 1.504 0.000 -7.434) 7.584 3.169 ( 2.639 0.000 1.833) 3.213 3.307 ( 12.050 0.000 -0.571) 12.063 3.537 ( -18.707 0.000 -2.964) 18.940 3.826 ( 7.845 0.000 3.775) 8.706 4.154 ( -7.153 0.000 -3.386) 7.914 5.208 ( 3.969 0.000 7.704) 8.666 5.263 ( -1.046 0.000 11.181) 11.230 5.541 ( -1.933 0.000 0.771) 2.081 5.579 ( -2.837 0.000 5.210) 5.933 6.805 ( 8.059 0.000 11.483) 14.029 7.260 ( -1.689 0.000 -9.199) 9.353 7.585 ( 2.849 0.000 10.238) 10.628 7.757 ( 5.256 0.000 3.426) 6.274 8.120 ( 0.358 0.000 20.287) 20.290 9.566 ( -12.072 0.000 19.802) 23.192 9.979 ( -5.521 0.000 -16.038) 16.961 10.298 ( -12.428 0.000 12.537) 17.653 10.719 ( 3.775 0.000 -14.729) 15.205 11.293 ( -0.711 0.000 7.074) 7.109 11.703 ( -9.112 0.000 -1.661) 9.262 13.032 ( -13.315 0.000 -27.204) 30.288 13.733 ( 0.912 0.000 12.066) 12.100 14.503 ( 15.490 0.000 -7.499) 17.210 15.005 ( 3.002 0.000 10.711) 11.123 15.511 ( -3.714 0.000 -6.282) 7.297 18.065 ( -11.397 0.000 -15.533) 19.266 18.285 ( 23.198 0.000 2.641) 23.347 18.955 ( 8.945 0.000 4.483) 10.006 19.283 ( 6.232 0.000 -0.621) 6.263 21.206 ( 14.842 0.000 26.373) 30.262 22.612 ( -19.462 0.000 -31.619) 37.128 24.132 ( 1.592 0.000 -1.761) 2.374 24.158 ( -7.881 0.000 -4.223) 8.941 ======================= 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 7.23e-05 7.23e-05 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| 1.872 ( -17.276 0.000 8.008) 19.042 2.259 ( -23.349 0.000 15.102) 27.808 2.993 ( 5.916 0.000 -1.791) 6.181 3.127 ( -20.216 0.000 4.105) 20.629 3.170 ( -0.785 0.000 -5.540) 5.595 3.540 ( 9.192 0.000 -0.574) 9.210 3.965 ( -10.175 0.000 0.093) 10.175 4.000 ( 6.995 0.000 6.127) 9.299 5.257 ( -1.478 0.000 5.953) 6.134 5.260 ( -1.779 0.000 12.319) 12.447 5.497 ( -2.433 0.000 0.946) 2.611 5.560 ( -0.189 0.000 6.533) 6.536 6.964 ( 4.945 0.000 10.235) 11.367 7.220 ( -0.016 0.000 -12.661) 12.661 7.555 ( -8.992 0.000 0.625) 9.014 7.904 ( 9.100 0.000 0.231) 9.103 8.160 ( -0.551 0.000 21.865) 21.872 9.303 ( -15.810 0.000 11.160) 19.352 9.747 ( -14.113 0.000 -14.497) 20.232 10.188 ( -4.363 0.000 25.385) 25.757 10.734 ( 0.634 0.000 -10.709) 10.728 11.258 ( -3.734 0.000 5.437) 6.596 11.558 ( -4.006 0.000 -2.742) 4.855 12.721 ( -11.720 0.000 -24.045) 26.750 13.798 ( 2.783 0.000 11.676) 12.003 14.779 ( 13.432 0.000 -6.763) 15.038 15.086 ( 2.482 0.000 10.873) 11.152 15.427 ( -2.611 0.000 -10.564) 10.882 17.901 ( -1.409 0.000 -15.104) 15.169 18.747 ( 23.461 0.000 7.882) 24.749 19.208 ( 14.634 0.000 3.581) 15.066 19.489 ( 13.936 0.000 1.132) 13.982 21.516 ( 10.261 0.000 26.175) 28.115 22.065 ( -28.651 0.000 -37.388) 47.103 23.968 ( -9.966 0.000 -4.076) 10.767 24.150 ( 0.463 0.000 -0.270) 0.536 ======================= 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 7.23e-05 7.23e-05 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| 1.622 ( -10.305 0.000 17.776) 20.547 1.846 ( -21.650 0.000 17.779) 28.014 2.781 ( -15.085 0.000 9.117) 17.625 3.112 ( 2.391 0.000 -3.596) 4.318 3.182 ( 7.474 0.000 -1.921) 7.717 3.613 ( -5.471 0.000 14.491) 15.489 3.855 ( 2.629 0.000 -9.098) 9.470 4.094 ( 0.853 0.000 6.745) 6.799 5.166 ( -8.264 0.000 5.554) 9.957 5.230 ( -4.780 0.000 10.743) 11.759 5.480 ( 1.020 0.000 3.342) 3.494 5.602 ( 2.405 0.000 7.016) 7.417 6.964 ( -13.004 0.000 0.716) 13.023 7.196 ( 0.761 0.000 -15.530) 15.549 7.270 ( -12.382 0.000 4.406) 13.143 8.106 ( 11.250 0.000 -3.666) 11.833 8.205 ( -1.022 0.000 23.246) 23.269 9.087 ( -7.242 0.000 14.190) 15.931 9.391 ( -17.597 0.000 -11.841) 21.210 10.203 ( 0.088 0.000 22.835) 22.835 10.702 ( -1.326 0.000 -8.073) 8.181 11.181 ( -5.030 0.000 1.697) 5.308 11.554 ( 4.112 0.000 -2.966) 5.070 12.477 ( -7.422 0.000 -21.169) 22.433 13.890 ( 3.774 0.000 11.521) 12.124 14.972 ( 6.289 0.000 -1.729) 6.523 15.142 ( 0.696 0.000 9.745) 9.770 15.380 ( 1.844 0.000 -17.729) 17.824 17.942 ( 8.383 0.000 -12.032) 14.664 19.239 ( 21.743 0.000 4.332) 22.170 19.505 ( 13.778 0.000 2.266) 13.963 19.826 ( 19.667 0.000 6.085) 20.587 21.318 ( -36.392 0.000 -33.880) 49.721 21.708 ( 2.710 0.000 23.544) 23.700 23.772 ( -8.247 0.000 -2.684) 8.673 24.148 ( -0.597 0.000 -0.620) 0.861 ======================= 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 7.23e-05 7.23e-05 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| 1.519 ( -14.928 0.000 20.511) 25.368 1.544 ( -3.182 0.000 24.877) 25.080 2.633 ( -1.086 0.000 12.306) 12.354 3.121 ( 1.982 0.000 -9.883) 10.080 3.402 ( 12.141 0.000 4.704) 13.020 3.495 ( -8.068 0.000 20.797) 22.307 3.937 ( 5.468 0.000 -9.022) 10.550 4.078 ( -3.304 0.000 8.081) 8.730 5.012 ( -7.014 0.000 5.009) 8.619 5.116 ( -8.625 0.000 8.648) 12.214 5.547 ( 4.103 0.000 5.143) 6.579 5.670 ( 2.870 0.000 6.769) 7.352 6.462 ( -28.489 0.000 2.191) 28.573 7.179 ( 1.324 0.000 -16.738) 16.791 7.209 ( -1.509 0.000 13.191) 13.277 8.177 ( -6.872 0.000 18.123) 19.382 8.290 ( 6.688 0.000 -6.154) 9.088 9.075 ( -9.221 0.000 -11.278) 14.567 9.117 ( 5.855 0.000 19.258) 20.129 10.306 ( 6.766 0.000 13.252) 14.879 10.663 ( -0.651 0.000 -6.264) 6.298 11.053 ( -7.984 0.000 -3.536) 8.732 11.678 ( 8.251 0.000 -4.247) 9.280 12.348 ( -0.895 0.000 -17.289) 17.312 14.000 ( 4.992 0.000 9.959) 11.140 15.009 ( -1.308 0.000 -1.534) 2.016 15.157 ( -1.186 0.000 7.630) 7.721 15.430 ( 6.695 0.000 -18.862) 20.015 18.160 ( 15.538 0.000 -7.355) 17.190 19.309 ( -27.031 0.000 -12.988) 29.990 19.733 ( 8.412 0.000 1.433) 8.533 19.993 ( -8.863 0.000 -3.605) 9.568 21.067 ( 33.344 0.000 1.489) 33.378 21.693 ( -9.871 0.000 17.590) 20.170 23.666 ( -1.526 0.000 0.270) 1.550 24.122 ( -1.831 0.000 -2.296) 2.937 ======================= 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 7.23e-05 7.23e-05 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| 1.584 ( -1.028 16.393 18.681) 24.876 1.733 ( 3.291 11.322 21.871) 24.847 2.794 ( 8.920 1.321 7.874) 11.971 3.229 ( 4.460 5.750 -8.942) 11.529 3.475 ( -3.785 5.322 21.418) 22.391 3.583 ( 5.377 -2.972 2.833) 6.765 4.008 ( 1.025 1.110 -3.704) 4.000 4.072 ( 4.469 0.043 12.975) 13.724 4.897 ( -4.299 -2.857 -0.067) 5.162 4.967 ( -8.892 2.396 7.226) 11.706 5.608 ( 1.989 -2.517 4.932) 5.884 5.812 ( 4.360 3.862 2.319) 6.269 6.054 ( -10.183 0.852 11.541) 15.415 7.233 ( 0.428 7.170 -5.036) 8.772 7.369 ( 1.118 12.525 4.689) 13.420 8.073 ( -6.170 3.720 9.417) 11.857 8.428 ( -9.261 13.146 -2.824) 16.327 8.998 ( 8.582 -4.901 -2.109) 10.105 9.417 ( 9.980 6.774 15.184) 19.392 10.389 ( 11.237 -5.802 2.129) 12.825 10.672 ( -4.600 -4.687 -0.268) 6.573 11.110 ( 0.785 18.529 -16.007) 24.498 11.822 ( 5.339 2.574 -6.993) 9.167 12.398 ( 5.464 2.834 -12.253) 13.712 14.075 ( 6.267 -5.827 7.185) 11.174 14.900 ( -4.443 -4.750 -3.374) 7.327 15.143 ( -2.421 1.187 -0.016) 2.697 15.448 ( 5.817 -7.127 -13.248) 16.129 17.827 ( -34.750 -28.179 13.148) 46.631 18.599 ( -5.212 1.840 -10.745) 12.083 19.785 ( 0.092 -3.400 1.352) 3.660 19.948 ( 0.812 1.555 -2.219) 2.828 21.398 ( -21.722 0.738 9.653) 23.781 21.927 ( 46.041 -9.636 -2.063) 47.084 23.907 ( 7.247 14.147 -1.411) 15.958 24.112 ( -3.808 4.968 -3.816) 7.331 ======================= 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 7.23e-05 7.23e-05 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| 1.659 ( 5.311 12.354 18.612) 22.962 1.952 ( 12.856 10.216 15.289) 22.436 3.003 ( 9.457 -2.942 -2.719) 10.271 3.309 ( 5.784 7.008 -10.399) 13.809 3.486 ( 0.055 1.965 21.075) 21.167 3.615 ( -1.492 -3.558 -1.019) 3.990 4.004 ( 0.100 0.551 9.984) 10.000 4.296 ( 12.941 3.121 12.410) 18.199 4.711 ( -13.399 -0.622 2.944) 13.733 4.865 ( -3.894 1.541 0.314) 4.200 5.638 ( 0.167 -3.933 5.025) 6.383 5.885 ( 1.773 4.555 1.001) 4.989 6.057 ( 6.249 0.391 7.575) 9.828 7.238 ( 0.165 7.166 3.517) 7.984 7.407 ( 2.244 13.416 1.475) 13.682 7.984 ( -4.575 5.953 6.722) 10.078 8.222 ( -9.422 12.422 -2.039) 15.723 9.223 ( 12.194 -6.850 4.390) 14.659 9.620 ( 6.519 6.844 15.322) 18.003 10.446 ( -4.692 -11.368 -10.284) 16.031 10.747 ( 11.272 4.742 1.727) 12.350 11.188 ( 11.709 16.489 -18.534) 27.432 11.849 ( -1.424 1.160 -8.165) 8.369 12.545 ( 12.111 2.064 -11.668) 16.944 14.206 ( 4.355 -7.755 5.757) 10.595 14.779 ( -7.011 -6.967 -6.373) 11.760 15.060 ( -5.666 2.198 -3.858) 7.198 15.524 ( 4.226 -6.552 -7.074) 10.528 17.040 ( -35.697 -8.976 21.592) 42.673 18.808 ( 17.982 -10.093 1.059) 20.648 19.714 ( -7.088 -3.381 -0.319) 7.860 19.908 ( -4.897 2.150 -1.161) 5.473 20.896 ( -29.098 3.993 4.445) 29.705 22.750 ( 36.655 -17.240 -10.259) 41.786 23.997 ( -6.802 4.660 -5.335) 9.821 24.071 ( 8.882 12.952 -1.813) 15.809 ======================= 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 7.23e-05 7.23e-05 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| 1.879 ( 12.407 4.874 16.178) 20.963 2.257 ( 14.309 8.943 11.254) 20.282 3.102 ( 1.864 -2.694 -7.992) 8.637 3.349 ( -1.428 6.648 -8.095) 10.572 3.557 ( -2.971 -1.124 -2.597) 4.103 3.594 ( 8.230 -6.590 -0.036) 10.543 4.099 ( 5.715 3.773 22.852) 23.856 4.423 ( -15.462 1.450 3.228) 15.861 4.591 ( 11.804 0.063 14.321) 18.558 4.801 ( -1.195 2.282 -1.816) 3.152 5.647 ( -0.389 -3.387 4.869) 5.944 5.906 ( 0.332 5.544 0.943) 5.634 6.210 ( 6.490 -1.207 3.153) 7.316 7.251 ( -0.730 7.866 12.689) 14.947 7.463 ( 3.201 11.126 -2.527) 11.850 7.907 ( -4.837 7.146 3.184) 9.198 8.091 ( -3.438 14.185 4.367) 15.235 9.450 ( 6.770 -8.277 19.133) 21.918 9.739 ( 3.660 1.857 4.808) 6.321 10.373 ( 2.271 -5.978 -13.623) 15.049 10.933 ( 7.588 14.372 -2.545) 16.450 11.431 ( 11.754 6.708 -16.117) 21.046 11.759 ( -2.556 1.592 -7.104) 7.716 12.802 ( 16.281 2.251 -13.356) 21.178 14.200 ( -8.711 -8.929 12.718) 17.814 14.599 ( -8.760 -8.385 -9.571) 15.448 14.934 ( -4.693 4.189 -4.091) 7.504 15.581 ( 2.634 -5.870 -3.009) 7.103 16.692 ( -4.245 -2.102 16.032) 16.717 19.177 ( 15.949 -16.167 5.497) 23.366 19.508 ( -13.505 -2.856 -1.695) 13.907 19.773 ( -6.858 1.310 0.087) 6.982 20.332 ( -27.269 10.155 2.984) 29.251 23.309 ( 23.138 -17.053 -14.637) 32.255 23.825 ( -8.905 3.369 -5.149) 10.824 24.225 ( 6.896 9.346 -2.629) 11.909 ======================= 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 7.23e-05 7.23e-05 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| 2.198 ( 16.115 -1.099 12.573) 20.469 2.555 ( 13.249 6.971 9.664) 17.819 3.061 ( -3.784 -1.221 -7.953) 8.891 3.233 ( -7.253 4.003 -7.930) 11.468 3.478 ( -4.295 -0.177 -4.823) 6.460 3.783 ( 10.995 -7.654 -9.922) 16.671 4.110 ( -15.766 -2.049 4.468) 16.514 4.257 ( 1.907 4.040 15.914) 16.529 4.739 ( 4.229 -1.772 5.962) 7.521 4.935 ( 11.565 5.875 10.071) 16.422 5.639 ( -1.547 -1.916 4.171) 4.844 5.897 ( -1.712 5.377 0.013) 5.643 6.325 ( 4.947 -0.044 5.087) 7.096 7.275 ( 0.046 6.955 17.034) 18.399 7.498 ( 0.635 7.404 -4.671) 8.778 7.821 ( -4.047 9.470 3.659) 10.930 8.094 ( 1.272 15.578 11.041) 19.136 9.531 ( -3.269 -9.877 25.577) 27.612 9.843 ( 7.332 -3.385 -2.841) 8.561 10.478 ( 10.051 1.700 -13.300) 16.757 11.058 ( 5.576 14.813 -2.120) 15.970 11.359 ( -11.025 1.703 -12.658) 16.872 11.878 ( 11.002 5.800 -6.032) 13.823 13.102 ( 16.928 1.636 -17.212) 24.197 13.969 ( -15.299 -6.033 18.877) 25.036 14.385 ( -10.716 -8.196 -12.565) 18.436 14.883 ( -0.588 2.731 0.986) 2.962 15.610 ( 0.695 -5.573 -1.638) 5.850 16.862 ( 16.682 -0.762 4.825) 17.383 19.170 ( -17.937 -0.208 -2.951) 18.179 19.285 ( -8.314 -15.063 -1.340) 17.257 19.711 ( -8.503 2.083 -2.325) 9.058 19.996 ( 2.514 8.695 16.179) 18.539 23.508 ( -4.003 -3.038 -20.906) 21.502 23.744 ( 7.352 -9.252 -1.054) 11.865 24.322 ( 3.500 5.449 -3.008) 7.141 ======================= 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 7.23e-05 7.23e-05 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| 2.549 ( 16.512 -4.705 7.902) 18.900 2.773 ( 1.203 -0.211 8.150) 8.241 2.962 ( -0.278 4.246 -3.223) 5.338 3.077 ( -4.667 3.981 -11.331) 12.885 3.343 ( -9.175 0.964 -2.902) 9.671 3.823 ( -10.823 -4.274 4.395) 12.439 3.976 ( 7.305 -6.312 -8.145) 12.631 4.203 ( -7.362 -0.763 -2.163) 7.711 4.908 ( 9.355 1.260 11.610) 14.963 5.167 ( 8.651 6.119 10.595) 14.984 5.605 ( -2.725 -0.208 3.578) 4.502 5.830 ( -4.855 5.178 -0.017) 7.098 6.459 ( 7.353 1.912 8.804) 11.629 7.334 ( 1.865 3.134 16.573) 16.970 7.467 ( -1.997 6.067 -5.070) 8.155 7.771 ( -2.355 9.820 6.886) 12.223 8.169 ( 2.880 17.182 14.691) 22.789 9.499 ( -4.244 -13.957 19.854) 24.637 9.983 ( 6.400 -0.944 -0.689) 6.506 10.649 ( 9.112 5.870 -12.656) 16.663 10.979 ( -14.994 -0.388 -5.388) 15.937 11.253 ( 5.640 15.220 -3.584) 16.623 12.006 ( 1.963 6.184 -3.241) 7.253 13.338 ( 9.136 -0.743 -23.159) 24.907 13.764 ( -8.533 -3.634 15.276) 17.871 14.163 ( -6.818 -7.211 -7.412) 12.386 14.894 ( 0.712 1.159 5.529) 5.694 15.597 ( -1.629 -5.401 -2.174) 6.045 17.296 ( 25.505 0.302 -1.118) 25.531 18.787 ( -19.107 -0.217 -6.432) 20.162 19.068 ( -10.150 -2.458 -1.846) 10.605 19.431 ( -13.304 5.132 -1.948) 14.392 20.339 ( 19.379 -3.346 22.292) 29.726 23.271 ( -12.533 -1.919 -19.901) 23.597 23.918 ( 8.296 -8.960 -4.539) 13.028 24.348 ( -0.187 2.526 -3.363) 4.210 ======================= 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 7.23e-05 7.23e-05 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| 2.580 ( -15.298 0.265 2.050) 15.437 2.838 ( 6.498 -6.603 -0.212) 9.267 2.961 ( 2.260 0.857 -7.762) 8.129 3.055 ( -10.997 -2.756 10.249) 15.283 3.205 ( 7.339 9.212 -3.164) 12.196 3.687 ( -3.597 -5.137 2.703) 6.828 3.931 ( -11.182 3.399 -3.498) 12.199 4.139 ( 3.135 -8.117 -8.644) 12.265 5.096 ( 6.195 2.333 10.266) 12.215 5.303 ( 2.491 5.643 9.976) 11.729 5.552 ( -3.325 0.538 4.004) 5.232 5.739 ( -3.528 5.900 0.901) 6.933 6.648 ( 9.206 3.441 10.940) 14.706 7.360 ( -2.488 2.246 -0.909) 3.473 7.471 ( 3.317 2.514 8.512) 9.475 7.761 ( -0.413 8.079 9.186) 12.240 8.258 ( 2.356 17.773 15.317) 23.580 9.458 ( -4.423 -15.752 15.989) 22.877 10.061 ( 1.076 -0.025 -3.107) 3.288 10.618 ( -15.685 2.353 0.434) 15.866 10.788 ( 4.557 7.559 -14.210) 16.728 11.378 ( 5.499 14.343 2.990) 15.650 11.941 ( -7.243 5.748 -1.417) 9.355 13.280 ( -8.216 -3.652 -25.481) 27.021 13.684 ( -3.220 -3.298 10.223) 11.215 14.191 ( 10.392 -5.495 -4.100) 12.450 14.936 ( 2.069 0.662 7.938) 8.230 15.541 ( -3.231 -5.066 -3.456) 6.931 17.819 ( 27.002 2.003 -1.744) 27.133 18.404 ( -17.163 0.710 -11.946) 20.923 18.931 ( -3.742 4.616 2.351) 6.390 19.251 ( -3.385 -0.227 -1.165) 3.587 20.774 ( 18.643 -4.303 24.936) 31.431 22.938 ( -16.269 -5.715 -24.756) 30.170 24.041 ( 5.244 -4.768 -2.945) 7.675 24.300 ( -3.755 1.366 -4.128) 5.745 ======================= 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 7.23e-05 7.23e-05 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| 2.253 ( -17.711 2.698 2.731) 18.122 2.640 ( -20.107 -3.140 10.074) 22.708 2.916 ( 0.924 -1.325 -7.262) 7.440 3.131 ( 5.961 -2.686 2.094) 6.865 3.375 ( 9.091 4.865 -5.156) 11.528 3.548 ( -14.930 0.741 0.992) 14.981 3.823 ( 4.620 0.203 2.817) 5.415 4.133 ( -3.105 -2.603 -3.928) 5.643 5.184 ( 0.634 -0.025 9.749) 9.769 5.325 ( -1.545 3.309 8.222) 8.997 5.506 ( -2.218 1.614 5.471) 6.120 5.701 ( -1.035 7.195 1.216) 7.370 6.854 ( 8.503 4.502 11.537) 15.022 7.300 ( -1.907 3.392 -7.015) 8.022 7.549 ( 0.968 -3.124 7.303) 8.002 7.803 ( 2.695 6.019 9.825) 11.834 8.324 ( 1.087 16.947 13.427) 21.648 9.371 ( -8.131 -14.166 11.174) 19.790 9.981 ( -7.916 -1.418 -8.554) 11.741 10.350 ( -11.786 4.751 12.926) 18.126 10.834 ( 2.643 7.942 -12.038) 14.662 11.455 ( 0.989 15.877 5.084) 16.700 11.758 ( -9.641 4.991 -1.376) 10.943 12.996 ( -12.999 -3.144 -23.982) 27.459 13.683 ( 0.489 -4.797 10.468) 11.525 14.452 ( 15.556 -4.979 -6.820) 17.700 15.006 ( 2.855 0.196 8.848) 9.299 15.462 ( -3.483 -4.504 -5.366) 7.824 18.075 ( -11.752 0.957 -14.750) 18.883 18.330 ( 23.568 4.239 1.321) 23.983 18.929 ( 3.450 -2.466 3.541) 5.525 19.318 ( 9.676 3.226 0.432) 10.209 21.173 ( 15.665 -3.131 26.391) 30.849 22.504 ( -21.781 -9.738 -30.662) 38.851 24.112 ( 1.745 -1.563 -0.891) 2.507 24.191 ( -5.210 2.499 -5.107) 7.712 ======================= 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 7.23e-05 7.23e-05 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| 1.923 ( -16.143 4.685 7.508) 18.409 2.256 ( -20.600 0.182 15.204) 25.604 2.975 ( 5.718 -1.700 -1.742) 6.214 3.174 ( -2.200 1.232 -2.833) 3.792 3.219 ( -14.897 6.772 0.238) 16.366 3.548 ( 8.367 0.657 -2.156) 8.665 3.961 ( 3.101 -1.657 9.988) 10.588 4.020 ( -4.336 2.858 -3.520) 6.274 5.189 ( -1.915 -5.171 10.143) 11.545 5.290 ( -4.043 2.028 5.735) 7.304 5.487 ( -1.113 2.614 6.310) 6.920 5.688 ( -0.637 8.075 2.134) 8.376 7.007 ( 3.115 3.428 9.687) 10.737 7.261 ( -0.047 3.517 -8.300) 9.014 7.485 ( -8.904 -5.755 -0.314) 10.606 7.914 ( 6.228 4.223 8.935) 11.681 8.379 ( 2.100 16.946 11.944) 20.838 9.191 ( -11.468 -8.761 8.690) 16.846 9.744 ( -13.400 -0.498 -9.253) 16.292 10.200 ( -7.602 2.480 21.033) 22.502 10.839 ( 0.230 6.077 -8.618) 10.547 11.421 ( -5.264 13.590 0.708) 14.591 11.622 ( -2.707 8.323 0.338) 8.758 12.703 ( -10.862 -1.441 -21.753) 24.357 13.741 ( 2.727 -5.526 10.892) 12.515 14.734 ( 13.964 -4.462 -6.753) 16.140 15.077 ( 2.016 -0.953 8.865) 9.141 15.385 ( -2.496 -3.789 -9.148) 10.211 17.879 ( -4.405 -1.723 -13.072) 13.902 18.773 ( 21.420 1.641 6.003) 22.306 19.096 ( 12.024 -7.765 1.131) 14.358 19.588 ( 16.192 7.008 2.377) 17.803 21.493 ( 9.651 -2.121 24.883) 26.773 21.932 ( -28.197 -11.373 -33.162) 44.990 24.017 ( -7.394 3.539 -4.819) 9.509 24.175 ( 1.334 2.467 -0.829) 2.925 ======================= 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 7.23e-05 7.23e-05 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| 1.686 ( -10.136 6.541 16.755) 20.646 1.929 ( -15.756 6.893 18.538) 25.287 2.887 ( -14.939 9.335 6.828) 18.893 3.109 ( 5.949 -1.236 0.866) 6.137 3.204 ( 5.082 3.300 -6.402) 8.815 3.638 ( -1.922 1.366 10.173) 10.443 3.888 ( -1.092 3.672 -3.574) 5.239 4.075 ( 1.651 -1.685 5.104) 5.623 5.139 ( -6.540 -4.535 5.894) 9.903 5.198 ( -5.317 -0.230 8.531) 10.055 5.496 ( 0.769 1.941 6.036) 6.387 5.696 ( 0.924 7.239 3.150) 7.948 6.883 ( -19.735 -7.434 1.668) 21.155 7.278 ( 2.668 7.016 -0.573) 7.528 7.300 ( -4.878 3.732 -5.547) 8.277 8.070 ( 6.597 2.732 8.600) 11.177 8.459 ( 2.677 17.189 9.544) 19.843 9.021 ( -6.214 -5.532 10.183) 13.149 9.429 ( -15.402 3.040 -7.300) 17.314 10.148 ( -2.285 -1.557 19.564) 19.759 10.808 ( -1.610 4.042 -5.433) 6.960 11.300 ( -5.666 9.146 -3.086) 11.193 11.631 ( 2.917 10.741 -1.624) 11.248 12.485 ( -6.247 0.972 -18.809) 19.843 13.833 ( 3.944 -5.508 11.095) 13.000 14.940 ( 6.806 -3.034 -2.165) 7.760 15.125 ( 1.355 -2.275 7.308) 7.773 15.335 ( 0.771 -3.845 -15.916) 16.392 17.847 ( 3.459 -8.330 -8.065) 12.100 19.240 ( 23.679 -7.148 6.542) 25.584 19.321 ( 8.509 -6.097 -3.666) 11.092 19.924 ( 15.241 5.273 3.320) 16.466 21.199 ( -29.722 -8.274 -26.057) 40.384 21.724 ( 2.260 0.464 21.233) 21.358 23.875 ( -5.105 7.796 -4.784) 10.475 24.187 ( 0.027 3.813 -0.764) 3.889 ======================= 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 7.23e-05 7.23e-05 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| 1.588 ( -4.656 9.965 20.852) 23.575 1.743 ( -7.806 13.376 21.930) 26.847 2.707 ( -3.790 7.008 10.379) 13.085 3.172 ( 3.256 3.800 -7.668) 9.156 3.386 ( 10.890 -0.033 2.785) 11.241 3.555 ( -7.176 5.127 19.120) 21.056 3.931 ( 4.764 -0.441 -6.226) 7.852 4.076 ( -2.434 -0.369 6.959) 7.381 4.992 ( -7.397 -1.859 4.632) 8.923 5.110 ( -6.573 -0.581 7.815) 10.228 5.545 ( 2.627 -0.073 5.691) 6.268 5.738 ( 2.559 5.452 3.187) 6.814 6.398 ( -25.050 -4.966 6.133) 26.264 7.247 ( -0.333 6.899 -8.392) 10.868 7.331 ( 1.805 10.166 4.645) 11.322 8.149 ( -2.119 2.118 10.923) 11.326 8.510 ( 1.153 14.990 0.657) 15.048 8.972 ( -3.982 -5.159 3.871) 7.580 9.236 ( 1.446 6.874 4.158) 8.162 10.205 ( 4.601 -3.988 12.710) 14.093 10.755 ( -2.898 0.399 -2.797) 4.047 11.187 ( -4.492 11.819 -8.546) 15.261 11.714 ( 5.979 6.239 -5.093) 10.030 12.380 ( -0.457 3.057 -14.935) 15.251 13.944 ( 4.968 -5.295 9.962) 12.328 14.973 ( -2.137 -3.208 0.222) 3.861 15.162 ( 0.075 0.038 4.880) 4.881 15.363 ( 5.973 -6.400 -19.268) 21.164 17.953 ( 6.688 -18.516 -0.318) 19.689 19.186 ( -26.709 -12.050 -15.294) 33.052 19.656 ( 14.076 -3.745 1.788) 14.675 19.979 ( -6.391 -1.302 -4.205) 7.760 21.085 ( 28.369 1.623 2.102) 28.493 21.704 ( -9.464 0.682 16.218) 18.790 23.823 ( 1.227 12.089 -2.934) 12.500 24.170 ( -1.552 4.651 -2.001) 5.296 ======================= 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 7.23e-05 7.23e-05 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| 1.956 ( -0.451 17.388 15.418) 23.244 2.034 ( 3.055 16.901 19.807) 26.217 2.860 ( 2.492 5.102 5.453) 7.873 3.291 ( 4.174 -1.535 -2.203) 4.963 3.558 ( 1.959 1.409 1.291) 2.737 3.671 ( -3.438 13.259 15.490) 20.677 4.035 ( 2.638 -2.836 16.206) 16.662 4.055 ( 5.433 3.165 -5.584) 8.409 4.825 ( -5.322 -3.653 -0.247) 6.460 5.020 ( -5.021 2.180 4.638) 7.175 5.528 ( 0.166 -5.606 4.476) 7.176 5.877 ( 2.407 1.828 -1.044) 3.198 6.103 ( -5.955 4.041 11.846) 13.861 7.456 ( 0.995 13.411 -8.975) 16.167 7.654 ( 2.276 13.415 9.501) 16.595 8.237 ( -3.176 12.130 10.045) 16.067 8.726 ( -11.632 13.621 0.330) 17.915 8.908 ( 9.128 -2.722 4.155) 10.392 9.564 ( 10.729 6.777 6.263) 14.152 10.335 ( 0.307 -1.514 1.628) 2.244 10.550 ( 3.256 -4.451 4.060) 6.848 11.309 ( 4.244 -1.108 -9.151) 10.148 12.063 ( 0.793 20.821 -11.736) 23.914 12.487 ( 4.296 5.921 -9.642) 12.103 13.914 ( 4.953 -9.135 7.290) 12.694 14.773 ( -6.961 -7.403 -2.755) 10.529 15.171 ( -0.808 1.214 -5.254) 5.453 15.224 ( 5.678 -14.203 -11.766) 19.298 17.244 ( -22.480 -25.848 19.512) 39.423 18.552 ( -8.016 -5.266 -19.103) 21.376 19.714 ( 0.023 -3.127 1.546) 3.489 19.976 ( 2.349 1.029 -4.992) 5.612 21.421 ( -18.026 1.333 8.783) 20.096 21.740 ( 32.131 -7.715 2.140) 33.114 24.147 ( 5.411 7.948 -2.616) 9.965 24.266 ( -2.042 8.949 -3.813) 9.939 ======================= 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 7.23e-05 7.23e-05 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| 1.968 ( -0.097 16.126 15.403) 22.301 2.214 ( 9.640 14.019 15.621) 23.097 2.974 ( 6.672 0.001 0.912) 6.734 3.354 ( 3.266 -3.850 -4.324) 6.647 3.565 ( -1.063 1.750 -2.373) 3.134 3.626 ( -4.121 9.259 8.406) 13.167 4.058 ( 2.286 3.814 18.205) 18.740 4.288 ( 10.407 -2.385 8.827) 13.853 4.694 ( -7.439 -1.572 -4.224) 8.698 4.926 ( -4.838 3.990 2.709) 6.831 5.554 ( 1.415 -4.551 4.590) 6.617 5.943 ( 4.041 0.441 -2.764) 4.915 6.100 ( 2.147 4.264 10.591) 11.617 7.453 ( 0.692 12.464 -5.519) 13.648 7.705 ( 0.463 13.803 9.916) 17.002 8.219 ( -1.371 16.455 7.929) 18.317 8.522 ( -7.961 15.252 0.955) 17.231 9.112 ( 9.554 -3.185 8.247) 13.017 9.737 ( 3.099 3.564 5.938) 7.587 10.220 ( -3.436 -9.657 -8.436) 13.275 10.865 ( 20.539 6.266 9.030) 23.295 11.404 ( 7.420 0.998 -12.838) 14.861 11.999 ( -4.627 15.029 -12.096) 19.839 12.628 ( 12.050 6.326 -9.546) 16.624 14.002 ( 1.662 -10.795 7.137) 13.048 14.604 ( -9.142 -9.635 -5.823) 14.502 15.097 ( -3.652 0.423 -10.852) 11.457 15.326 ( 5.270 -11.632 -3.195) 13.164 16.811 ( -21.033 -11.912 21.269) 32.197 18.563 ( 9.647 -12.225 -7.391) 17.238 19.654 ( -6.051 -2.331 -1.035) 6.567 19.940 ( -5.228 0.970 -3.357) 6.288 20.996 ( -23.983 5.219 5.177) 25.084 22.393 ( 31.402 -15.933 -2.767) 35.321 24.116 ( -7.029 6.309 -3.688) 10.139 24.303 ( 5.304 8.496 -3.899) 10.748 ======================= 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 7.23e-05 7.23e-05 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| 2.053 ( 5.429 11.432 13.909) 18.805 2.450 ( 10.351 8.946 13.790) 19.425 3.075 ( 3.004 -0.719 -3.564) 4.716 3.415 ( 4.008 -8.240 -5.971) 10.937 3.483 ( -6.365 6.466 -6.629) 11.237 3.576 ( -0.403 1.075 -0.726) 1.359 4.208 ( 4.441 3.505 18.244) 19.101 4.325 ( -8.355 -4.297 8.941) 12.970 4.635 ( 2.298 0.058 0.377) 2.330 4.891 ( 3.499 6.557 2.941) 7.993 5.598 ( 1.714 -1.715 4.860) 5.432 5.994 ( 1.588 2.266 -2.608) 3.803 6.206 ( 5.638 1.770 8.293) 10.183 7.460 ( 0.130 11.663 2.464) 11.921 7.706 ( -2.016 10.932 4.007) 11.816 8.192 ( -3.217 19.057 6.930) 20.531 8.447 ( -0.350 19.427 5.554) 20.208 9.297 ( 4.715 -6.591 14.418) 16.539 9.695 ( -3.245 -5.457 -2.473) 6.813 10.284 ( 9.811 -1.710 -5.550) 11.401 11.268 ( 16.144 15.454 7.477) 23.566 11.496 ( 1.755 -1.824 -13.037) 13.280 11.889 ( 0.286 11.982 -13.222) 17.845 12.886 ( 15.389 5.802 -9.412) 18.949 13.978 ( -6.656 -11.146 11.122) 17.095 14.393 ( -10.257 -11.372 -9.206) 17.869 14.999 ( -3.622 1.440 -7.619) 8.558 15.408 ( 3.424 -10.092 -1.201) 10.725 16.637 ( -0.046 -2.923 14.958) 15.241 18.796 ( 12.600 -18.526 -1.037) 22.428 19.470 ( -12.205 -1.287 -3.083) 12.654 19.788 ( -7.732 0.359 -1.363) 7.859 20.552 ( -21.444 10.335 5.195) 24.364 22.930 ( 23.914 -18.262 -6.831) 30.855 23.921 ( -11.263 5.202 -5.279) 13.483 24.381 ( 3.205 5.391 -3.528) 7.196 ======================= 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 7.23e-05 7.23e-05 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| 2.240 ( 10.326 5.168 11.392) 16.221 2.666 ( 8.006 3.940 11.439) 14.508 3.073 ( -1.533 0.734 -5.816) 6.060 3.323 ( -7.486 5.647 -6.594) 11.463 3.439 ( -0.870 -3.964 -6.463) 7.631 3.633 ( 6.989 -6.183 -7.651) 12.067 3.990 ( -17.202 -8.631 1.196) 19.283 4.350 ( -3.305 3.500 5.521) 7.325 4.722 ( 8.517 0.718 11.653) 14.452 5.081 ( 11.407 7.540 7.917) 15.800 5.635 ( 0.763 1.279 4.700) 4.930 5.992 ( -1.524 3.227 -1.328) 3.808 6.348 ( 7.019 2.859 8.083) 11.080 7.455 ( -2.504 9.894 11.873) 15.657 7.666 ( -1.463 8.396 -3.983) 9.408 8.127 ( -4.919 18.003 8.037) 20.320 8.509 ( 3.988 23.336 9.861) 25.646 9.281 ( -6.773 -13.618 8.240) 17.298 9.773 ( 9.752 -2.551 2.065) 10.290 10.500 ( 12.279 0.840 -4.139) 12.985 11.317 ( -13.402 1.659 -7.946) 15.669 11.524 ( 8.632 20.295 -0.771) 22.068 12.016 ( 10.908 7.043 -8.522) 15.531 13.162 ( 14.138 4.010 -10.406) 18.007 13.816 ( -11.179 -7.843 14.455) 19.885 14.160 ( -10.965 -13.085 -11.640) 20.662 14.935 ( -1.664 1.776 -1.789) 3.021 15.451 ( 1.074 -9.246 -0.961) 9.358 16.851 ( 18.056 -0.011 5.451) 18.861 18.965 ( 3.539 -15.296 -2.678) 15.927 19.165 ( -17.200 -0.351 -3.227) 17.503 19.708 ( -1.090 -1.253 0.517) 1.739 20.212 ( -12.461 11.020 10.566) 19.706 23.289 ( 12.973 -15.647 -14.487) 24.960 23.679 ( -9.964 1.156 -1.824) 10.195 24.411 ( 0.646 3.006 -3.655) 4.776 ======================= 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 7.23e-05 7.23e-05 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| 2.493 ( 12.447 -0.642 8.003) 14.812 2.759 ( -2.289 0.354 5.168) 5.663 3.017 ( -2.767 -0.081 -5.112) 5.813 3.189 ( -4.752 5.130 -4.486) 8.308 3.369 ( -3.406 2.648 -8.837) 9.834 3.683 ( -12.623 -9.485 4.624) 16.452 3.774 ( 8.508 -11.116 -8.331) 16.290 4.201 ( -9.608 -0.718 -5.204) 10.951 4.971 ( 11.361 4.670 14.253) 18.816 5.304 ( 8.257 6.425 9.471) 14.112 5.646 ( -0.737 4.046 4.283) 5.938 5.929 ( -4.322 3.972 0.076) 5.871 6.529 ( 9.459 5.150 9.190) 14.158 7.426 ( -3.017 5.507 13.581) 14.963 7.628 ( -1.690 8.844 -4.538) 10.083 8.047 ( -4.950 15.191 9.863) 18.777 8.615 ( 3.659 23.543 10.427) 26.007 9.180 ( -3.947 -14.862 4.295) 15.965 9.969 ( 7.591 -0.183 3.854) 8.515 10.726 ( 11.100 1.718 -3.690) 11.823 10.998 ( -16.083 1.711 -5.067) 16.949 11.668 ( 6.776 23.428 -1.805) 24.455 12.143 ( 2.011 6.185 -3.809) 7.536 13.330 ( 2.391 0.249 -10.704) 10.970 13.673 ( -4.671 -4.607 6.520) 9.249 13.948 ( -5.629 -13.384 -5.950) 15.691 14.924 ( 0.422 1.609 2.517) 3.018 15.445 ( -1.245 -8.676 -1.491) 8.891 17.317 ( 27.344 1.930 -0.509) 27.417 18.774 ( -17.983 -1.278 -7.717) 19.611 19.011 ( 1.487 -2.665 -1.208) 3.282 19.548 ( -15.477 5.222 -2.134) 16.473 20.266 ( 12.741 -2.927 21.063) 24.790 23.191 ( -14.597 -6.221 -23.085) 28.013 23.718 ( 10.029 -9.006 2.854) 13.779 24.392 ( -1.650 1.628 -4.248) 4.839 ======================= 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 7.23e-05 7.23e-05 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 ( -11.435 1.975 1.562) 11.708 2.725 ( 5.723 -3.594 1.974) 7.040 2.942 ( -4.907 -4.261 4.943) 8.165 3.007 ( -7.874 -0.062 -11.002) 13.529 3.386 ( 5.307 7.286 -6.636) 11.193 3.551 ( -2.451 -6.941 7.531) 10.531 3.915 ( 7.242 -12.197 -6.922) 15.784 3.992 ( -9.495 1.234 -6.194) 11.404 5.185 ( 6.594 5.774 11.200) 14.222 5.413 ( -0.199 4.525 9.535) 10.556 5.628 ( -1.742 6.420 4.596) 8.086 5.855 ( -2.371 5.031 1.058) 5.661 6.754 ( 10.720 6.725 10.263) 16.293 7.398 ( -2.739 1.824 9.335) 9.898 7.578 ( -2.460 6.840 -2.273) 7.616 7.991 ( -2.929 12.706 11.933) 17.675 8.683 ( 1.071 19.294 7.147) 20.603 9.145 ( -1.287 -10.846 5.450) 12.206 10.041 ( -1.286 -1.351 -0.505) 1.932 10.699 ( -13.362 4.997 3.365) 14.657 10.900 ( 6.961 3.632 -4.792) 9.198 11.794 ( 6.227 23.851 -0.345) 24.652 12.074 ( -7.658 6.169 -1.134) 9.899 13.196 ( -10.714 -3.786 -12.819) 17.131 13.590 ( -4.627 -5.518 2.109) 7.504 14.022 ( 11.745 -10.755 -2.196) 16.076 14.958 ( 2.072 1.358 4.078) 4.771 15.401 ( -2.577 -7.797 -2.198) 8.501 17.883 ( 29.258 4.070 -2.549) 29.650 18.419 ( -15.030 0.665 -10.870) 18.561 19.055 ( -2.682 6.800 0.584) 7.333 19.251 ( -6.449 0.416 -0.130) 6.464 20.650 ( 18.791 -7.397 24.750) 31.943 22.778 ( -20.935 -9.312 -25.438) 34.235 23.922 ( 9.311 -6.127 1.317) 11.223 24.329 ( -3.548 1.242 -5.436) 6.609 ======================= 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 7.23e-05 7.23e-05 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| 2.336 ( -15.310 4.832 0.757) 16.073 2.574 ( -16.217 -2.216 9.046) 18.701 2.871 ( 1.096 -2.895 -6.031) 6.779 3.080 ( 8.053 -2.118 0.600) 8.348 3.413 ( -0.512 -2.585 -7.117) 7.589 3.593 ( 1.141 4.479 5.048) 6.844 3.844 ( -1.853 1.404 -3.455) 4.165 4.023 ( 4.612 -8.086 -3.259) 9.863 5.229 ( -5.487 4.209 9.353) 11.632 5.387 ( -1.943 3.205 7.829) 8.679 5.608 ( -1.873 6.837 6.492) 9.612 5.843 ( 0.255 6.136 0.659) 6.177 6.977 ( 8.504 6.845 10.764) 15.331 7.350 ( -3.865 -0.005 5.886) 7.041 7.517 ( -3.318 1.803 -3.500) 5.149 7.996 ( 0.783 11.154 13.139) 17.252 8.702 ( 0.396 15.391 3.096) 15.704 9.123 ( -3.114 -5.987 6.932) 9.674 9.929 ( -8.579 -2.855 -3.086) 9.554 10.485 ( -10.890 8.120 12.857) 18.704 10.966 ( 1.107 4.792 -6.896) 8.470 11.820 ( -8.638 9.327 -7.826) 14.928 11.960 ( 1.872 21.536 8.286) 23.151 12.927 ( -11.968 -2.676 -15.857) 20.046 13.543 ( -0.929 -8.311 6.200) 10.410 14.292 ( 15.315 -10.619 -4.560) 19.186 15.011 ( 1.990 0.068 4.010) 4.477 15.343 ( -2.458 -6.300 -3.359) 7.551 18.106 ( -11.306 2.092 -12.987) 17.346 18.451 ( 24.471 7.154 -2.184) 25.589 18.859 ( -7.872 -4.037 2.447) 9.179 19.406 ( 14.335 5.020 2.044) 15.326 21.077 ( 17.957 -6.117 26.615) 32.684 22.258 ( -25.436 -12.730 -28.602) 40.337 24.075 ( 5.256 -1.836 0.968) 5.651 24.239 ( -3.240 1.793 -6.729) 7.681 ======================= 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 7.23e-05 7.23e-05 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| 2.050 ( -13.197 7.140 6.429) 16.324 2.296 ( -13.980 4.216 14.027) 20.248 2.928 ( 5.285 -2.648 -1.050) 6.004 3.206 ( 4.591 2.038 -3.024) 5.863 3.334 ( -7.376 1.796 0.884) 7.643 3.583 ( 1.192 3.598 -5.600) 6.762 3.912 ( 5.105 -2.471 6.405) 8.555 4.072 ( 0.830 0.720 -2.219) 2.477 5.100 ( -7.195 -1.926 7.815) 10.796 5.346 ( -4.940 3.119 6.340) 8.622 5.576 ( -2.893 4.905 7.649) 9.536 5.849 ( 0.164 6.977 -0.232) 6.982 7.028 ( -9.561 -3.888 7.313) 12.650 7.328 ( 2.340 4.263 12.386) 13.307 7.447 ( -0.922 3.745 -11.769) 12.385 8.083 ( 4.892 10.670 12.525) 17.165 8.744 ( 3.796 14.826 2.584) 15.521 9.030 ( -8.130 -3.700 6.890) 11.281 9.726 ( -11.080 -1.163 -1.824) 11.290 10.313 ( -9.764 8.382 17.971) 22.103 10.925 ( -3.275 2.775 -7.309) 8.476 11.583 ( -11.250 3.084 -6.656) 13.431 12.039 ( 2.651 27.644 4.314) 28.104 12.684 ( -8.500 0.418 -15.612) 17.781 13.577 ( 2.505 -9.993 8.075) 13.090 14.583 ( 14.957 -10.591 -6.063) 19.304 15.038 ( -0.418 -3.094 3.559) 4.735 15.296 ( -1.180 -3.886 -5.724) 7.018 17.855 ( -11.053 -0.021 -9.138) 14.342 18.725 ( 6.334 -8.046 1.488) 10.348 19.013 ( 20.015 1.654 -1.983) 20.181 19.724 ( 16.075 5.604 2.669) 17.231 21.437 ( 8.725 -3.037 21.856) 23.728 21.670 ( -23.834 -12.415 -24.260) 36.204 24.076 ( -3.259 2.209 -5.128) 6.465 24.239 ( 3.369 3.011 -2.056) 4.964 ======================= 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 7.23e-05 7.23e-05 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| 1.890 ( -5.072 12.604 15.572) 20.665 2.097 ( -9.444 9.191 17.002) 21.511 3.055 ( 5.851 -2.875 3.257) 7.287 3.108 ( -10.912 9.765 3.585) 15.076 3.331 ( 7.058 8.496 -7.670) 13.447 3.621 ( 2.163 -3.440 1.974) 4.518 3.982 ( -2.317 1.323 15.286) 15.517 4.065 ( 1.195 4.238 -7.932) 9.072 5.015 ( -3.261 -6.006 4.207) 8.025 5.219 ( -8.704 1.549 7.030) 11.295 5.538 ( -2.389 1.309 7.143) 7.645 5.849 ( 0.106 6.756 -0.956) 6.824 6.701 ( -21.674 -8.836 7.318) 24.523 7.419 ( 1.534 8.319 3.284) 9.074 7.465 ( 5.871 9.484 -4.415) 11.996 8.222 ( 5.415 10.615 10.818) 16.094 8.820 ( -4.707 13.499 6.884) 15.868 8.897 ( 1.490 -2.912 4.718) 5.741 9.493 ( -11.383 2.652 -1.511) 11.785 10.206 ( -4.769 7.225 18.571) 20.490 10.817 ( -5.876 -1.673 -6.122) 8.649 11.384 ( -6.969 -0.308 -5.714) 9.018 12.068 ( 0.415 27.123 -3.908) 27.406 12.534 ( -3.534 4.376 -12.364) 13.583 13.670 ( 4.661 -9.931 8.907) 14.131 14.835 ( 11.056 -8.361 -4.944) 14.717 15.014 ( -1.873 -8.003 0.855) 8.264 15.266 ( -0.377 -1.925 -8.850) 9.065 17.649 ( -8.443 -9.538 -0.517) 12.748 18.903 ( 9.650 -17.957 -4.838) 20.952 19.377 ( 16.368 4.929 -2.859) 17.332 19.977 ( 6.170 -0.297 -1.691) 6.405 21.080 ( -16.300 -2.369 -15.428) 22.568 21.713 ( 4.035 -1.287 21.003) 21.426 24.016 ( -0.556 5.232 -6.370) 8.262 24.292 ( 1.891 5.467 -1.191) 5.906 ======================= 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 7.23e-05 7.23e-05 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 ( 0.691 18.654 17.938) 25.888 2.010 ( -3.773 11.556 20.259) 23.626 2.901 ( -7.960 10.783 5.397) 14.448 3.193 ( 5.825 -2.378 1.414) 6.449 3.472 ( 7.382 7.960 -5.245) 12.057 3.667 ( 0.530 3.601 13.560) 14.040 3.939 ( -1.824 2.381 9.977) 10.418 4.073 ( -0.130 1.044 -3.602) 3.753 4.938 ( -6.037 -3.388 1.795) 7.152 5.094 ( -4.730 -0.771 7.176) 8.629 5.522 ( -0.706 -2.928 5.484) 6.257 5.852 ( 0.648 4.769 -1.355) 5.000 6.312 ( -17.720 -2.406 10.874) 20.929 7.446 ( 1.985 11.866 -7.978) 14.436 7.574 ( 4.107 11.987 6.380) 14.187 8.285 ( -2.338 10.480 10.528) 15.038 8.755 ( 2.024 2.545 3.995) 5.151 8.937 ( -5.648 6.447 5.044) 9.945 9.378 ( 3.500 6.542 1.162) 7.510 10.222 ( 2.668 5.788 15.373) 16.641 10.667 ( -7.926 -6.861 -4.793) 11.527 11.292 ( -1.023 -2.274 -6.003) 6.500 12.060 ( 1.105 24.541 -10.599) 26.755 12.476 ( -0.192 6.461 -9.608) 11.580 13.791 ( 5.416 -9.092 8.528) 13.591 14.890 ( -4.282 -4.605 0.818) 6.341 15.074 ( 7.896 -12.263 -5.452) 15.571 15.235 ( -0.392 -2.296 -12.519) 12.734 17.503 ( -8.903 -22.122 10.071) 25.886 18.883 ( -12.180 -15.161 -20.661) 28.374 19.631 ( 8.914 0.614 -0.137) 8.936 19.944 ( -1.398 -1.980 -5.821) 6.306 21.131 ( 20.649 2.654 3.427) 21.099 21.711 ( -8.680 -0.055 14.460) 16.865 24.043 ( 4.533 8.064 -4.676) 10.366 24.303 ( -0.493 7.322 -1.966) 7.597 ======================= 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 7.23e-05 7.23e-05 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| 2.245 ( 0.002 10.548 15.128) 18.442 2.412 ( 3.070 18.640 16.485) 25.072 2.984 ( -3.055 5.876 2.788) 7.185 3.207 ( 2.475 -4.632 2.053) 5.639 3.537 ( -0.160 -5.649 7.314) 9.243 3.955 ( 2.268 5.023 1.946) 5.845 4.035 ( -0.432 11.536 21.954) 24.805 4.151 ( 5.184 5.984 -8.049) 11.290 4.762 ( -5.603 -2.098 -2.477) 6.476 5.039 ( -1.946 -0.713 2.973) 3.624 5.375 ( 0.401 -8.712 4.050) 9.615 5.880 ( -0.212 -1.332 0.485) 1.434 6.206 ( -3.039 5.142 9.935) 11.592 7.728 ( 0.313 10.735 -15.165) 18.583 7.908 ( 3.154 12.624 16.714) 21.182 8.508 ( -1.193 9.912 14.918) 17.951 8.802 ( 5.090 -0.763 2.037) 5.536 9.062 ( -1.995 13.391 4.499) 14.267 9.675 ( 10.179 3.551 1.241) 10.852 10.216 ( -13.908 -8.958 -7.098) 18.002 10.599 ( 12.717 7.830 14.772) 21.006 11.182 ( 3.751 -8.898 -0.793) 9.689 12.523 ( -4.831 20.477 -7.996) 22.507 12.647 ( 5.439 9.562 -9.050) 14.245 13.735 ( 5.199 -6.962 2.954) 9.177 14.563 ( -7.181 -14.684 -9.189) 18.752 14.921 ( 5.065 -12.074 -3.778) 13.627 15.189 ( -0.335 0.395 -9.805) 9.818 16.810 ( -16.439 -15.714 18.992) 29.629 18.427 ( -6.371 -5.892 -25.666) 27.094 19.664 ( -0.273 -1.662 1.567) 2.301 19.990 ( 2.983 0.360 -7.303) 7.897 21.450 ( -14.461 1.442 8.007) 16.593 21.615 ( 21.240 -4.501 4.788) 22.233 24.274 ( 4.363 4.742 -1.274) 6.568 24.412 ( -1.639 4.733 -3.089) 5.885 ======================= 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 7.23e-05 7.23e-05 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| 2.277 ( 0.087 12.769 12.325) 17.747 2.509 ( 3.440 14.240 16.175) 21.823 2.995 ( 2.834 1.709 2.081) 3.909 3.232 ( 0.152 -6.128 -0.152) 6.132 3.537 ( -1.425 -5.632 5.723) 8.155 3.858 ( -7.687 9.780 -4.911) 13.374 4.134 ( 4.086 4.230 18.213) 19.139 4.308 ( 7.101 6.048 4.273) 10.260 4.650 ( -4.454 -2.044 -3.839) 6.225 4.981 ( -3.398 -0.090 1.741) 3.820 5.446 ( 5.174 -5.429 3.557) 8.300 5.915 ( 3.514 -2.493 -0.182) 4.312 6.214 ( 1.227 5.760 9.441) 11.127 7.696 ( 0.403 9.696 -11.541) 15.079 7.973 ( -1.355 12.834 15.710) 20.331 8.548 ( 1.557 9.655 11.580) 15.157 8.808 ( -1.609 13.091 0.780) 13.212 9.139 ( 5.220 7.175 7.670) 11.728 9.732 ( -8.314 -4.011 -0.970) 9.282 10.079 ( 5.974 -3.979 -4.946) 8.717 10.993 ( 23.137 5.727 12.777) 27.044 11.300 ( 7.510 -8.210 -3.521) 11.671 12.370 ( -7.586 18.305 -8.638) 21.616 12.797 ( 10.745 9.012 -8.109) 16.199 13.807 ( 1.129 -7.065 3.149) 7.817 14.371 ( -9.808 -13.527 -10.939) 19.971 14.977 ( 1.346 -10.980 -5.721) 12.454 15.184 ( 2.084 -1.284 -6.359) 6.814 16.588 ( -9.220 -9.000 19.402) 23.290 18.342 ( 3.248 -8.549 -16.075) 18.494 19.617 ( -5.157 -1.247 -0.691) 5.351 19.951 ( -5.291 0.195 -5.881) 7.913 21.097 ( -19.492 4.253 5.547) 20.708 22.116 ( 25.532 -10.585 1.869) 27.702 24.241 ( -7.410 5.473 -2.787) 9.625 24.417 ( 2.643 2.850 -2.540) 4.643 ======================= 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 7.23e-05 7.23e-05 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| 2.316 ( 1.548 12.955 10.983) 17.054 2.628 ( 4.880 8.595 14.186) 17.290 3.060 ( 2.234 -0.542 0.603) 2.376 3.236 ( 1.285 -8.214 -3.062) 8.860 3.509 ( -2.398 -7.073 3.911) 8.431 3.688 ( -7.752 10.395 -6.867) 14.673 4.120 ( -9.178 -4.586 -5.577) 11.678 4.450 ( 3.662 8.618 12.276) 15.439 4.583 ( -0.029 -2.857 3.886) 4.823 5.006 ( 6.480 2.829 5.313) 8.844 5.568 ( 5.908 -0.987 3.503) 6.939 5.989 ( 3.260 -2.094 -0.990) 3.999 6.294 ( 4.887 5.723 9.383) 12.028 7.696 ( 0.873 10.177 -4.121) 11.014 7.915 ( -6.367 9.705 9.224) 14.827 8.567 ( -3.502 13.204 8.294) 15.981 8.837 ( 4.316 15.664 5.326) 17.098 9.195 ( -3.655 -0.621 5.188) 6.377 9.581 ( -0.079 -4.169 -0.064) 4.171 10.278 ( 12.076 0.163 -1.947) 12.233 11.387 ( 1.750 -7.186 -6.603) 9.915 11.512 ( 23.603 7.730 10.862) 27.108 12.226 ( -3.511 19.378 -10.199) 22.178 13.011 ( 11.881 4.763 -4.677) 13.627 13.787 ( -4.062 -6.492 5.063) 9.181 14.133 ( -11.422 -13.522 -12.694) 21.782 14.962 ( -0.807 -5.121 -5.134) 7.296 15.230 ( 2.989 -5.519 -3.240) 7.063 16.582 ( 5.448 -2.145 14.311) 15.462 18.462 ( 10.671 -12.979 -8.353) 18.765 19.448 ( -11.677 -0.871 -2.646) 12.005 19.792 ( -8.130 0.091 -3.015) 8.672 20.742 ( -17.695 7.744 5.784) 20.163 22.592 ( 22.303 -13.671 -1.578) 26.207 24.020 ( -13.428 4.107 -5.473) 15.071 24.452 ( 1.137 1.786 -2.059) 2.953 ======================= 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 7.23e-05 7.23e-05 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| 2.397 ( 4.296 9.397 9.783) 14.229 2.750 ( 4.278 4.783 9.277) 11.280 3.058 ( -2.208 -1.498 -1.550) 3.085 3.265 ( 1.308 -8.510 -5.084) 9.999 3.472 ( -1.956 -11.009 3.254) 11.646 3.541 ( -4.773 10.953 -6.308) 13.511 3.839 ( -14.746 -4.099 -12.674) 19.871 4.338 ( -9.259 -4.886 -6.374) 12.257 4.799 ( 12.796 6.536 18.688) 23.573 5.206 ( 10.317 3.699 9.072) 14.228 5.680 ( 4.484 2.916 3.349) 6.311 6.019 ( -0.254 -0.426 0.142) 0.515 6.450 ( 8.669 6.372 8.823) 13.914 7.665 ( -5.762 10.091 10.952) 15.968 7.834 ( -1.266 7.454 -3.465) 8.317 8.454 ( -8.888 9.960 8.247) 15.691 8.900 ( -2.798 2.281 -0.155) 3.613 9.122 ( 1.625 11.682 4.480) 12.616 9.740 ( 11.701 -1.180 6.689) 13.529 10.514 ( 11.992 0.334 -1.150) 12.052 11.275 ( -10.055 -4.173 -9.294) 14.314 11.933 ( 14.931 13.804 12.392) 23.812 12.213 ( 3.985 15.347 -11.572) 19.630 13.227 ( 10.292 0.308 -1.036) 10.349 13.677 ( -8.205 -5.236 7.377) 12.213 13.873 ( -11.340 -13.211 -14.378) 22.580 14.942 ( -0.141 -1.223 -2.394) 2.692 15.269 ( 1.336 -7.249 -2.210) 7.695 16.866 ( 20.340 1.372 6.472) 21.389 18.677 ( 11.325 -11.971 -5.210) 17.284 19.157 ( -16.192 -0.338 -3.526) 16.575 19.681 ( -2.265 -1.156 0.727) 2.645 20.424 ( -15.897 8.946 8.374) 20.072 22.970 ( 15.897 -13.812 -7.158) 22.242 23.712 ( -15.167 1.479 -4.914) 16.012 24.452 ( -0.611 1.121 -2.874) 3.145 ======================= 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 7.23e-05 7.23e-05 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| 2.521 ( 5.714 3.121 7.262) 9.753 2.808 ( -0.433 4.312 2.170) 4.847 2.977 ( -5.508 -3.057 -1.061) 6.388 3.206 ( -6.708 -2.779 -8.646) 11.290 3.400 ( -5.339 -9.857 0.723) 11.234 3.528 ( 2.346 2.428 1.076) 3.544 3.594 ( -2.934 -3.456 -14.801) 15.480 4.142 ( -8.463 -5.146 -7.520) 12.436 5.086 ( 11.662 5.851 15.314) 20.119 5.407 ( 6.892 3.204 10.365) 12.853 5.755 ( 2.176 5.769 3.230) 6.961 5.984 ( -3.030 1.392 1.998) 3.887 6.668 ( 11.189 7.641 8.384) 15.934 7.556 ( -7.018 7.087 12.776) 16.208 7.807 ( -2.228 7.872 -2.909) 8.684 8.291 ( -8.930 4.200 10.767) 14.605 8.802 ( -3.137 -5.155 -8.652) 10.548 9.235 ( 5.111 21.790 8.710) 24.016 9.966 ( 7.748 -0.749 4.500) 8.992 10.743 ( 11.308 0.287 -1.192) 11.374 11.019 ( -12.486 -0.223 -3.343) 12.927 12.165 ( 7.618 21.673 8.479) 24.488 12.254 ( 0.285 6.822 -8.549) 10.941 13.345 ( -3.634 0.813 2.322) 4.389 13.569 ( 1.601 -10.284 1.684) 10.544 13.645 ( -8.510 -10.662 -9.767) 16.778 14.949 ( 1.190 0.512 -0.444) 1.369 15.272 ( -0.342 -7.041 -1.861) 7.290 17.375 ( 29.378 3.405 0.146) 29.575 18.728 ( -12.255 -3.067 -8.319) 15.127 18.969 ( 6.533 -1.248 -0.670) 6.685 19.618 ( -9.217 1.373 -1.108) 9.385 20.245 ( -0.806 1.052 18.126) 18.174 23.019 ( -11.702 -9.426 -22.174) 26.785 23.580 ( 6.013 -4.277 5.625) 9.278 24.416 ( -2.148 0.771 -4.459) 5.009 ======================= 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 7.23e-05 7.23e-05 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 ( -2.543 -2.596 1.798) 4.054 2.755 ( -4.443 5.432 0.890) 7.074 2.838 ( -7.077 -4.429 0.437) 8.360 3.023 ( -4.828 1.242 -10.451) 11.580 3.338 ( -1.216 -7.951 0.334) 8.051 3.589 ( 4.626 7.148 1.664) 8.675 3.644 ( 6.993 -13.111 -9.743) 17.769 3.985 ( -5.636 -2.079 -6.427) 8.797 5.306 ( 6.873 5.262 11.746) 14.590 5.489 ( -1.593 2.851 9.769) 10.300 5.778 ( -0.574 7.103 3.630) 7.997 5.938 ( -1.403 2.913 3.239) 4.577 6.913 ( 11.099 7.898 8.679) 16.152 7.454 ( -6.330 4.163 11.298) 13.603 7.715 ( -5.912 5.785 -3.678) 9.052 8.177 ( -5.273 1.515 15.063) 16.031 8.764 ( 1.249 -3.141 -9.901) 10.462 9.315 ( 0.880 20.552 6.677) 21.628 10.010 ( -3.613 -2.021 -0.875) 4.231 10.799 ( -7.782 4.014 4.695) 9.936 10.958 ( 7.569 2.112 1.114) 7.937 12.148 ( -8.968 3.247 -6.857) 11.747 12.322 ( 7.321 24.026 6.889) 26.045 13.145 ( -12.079 -1.203 -2.961) 12.495 13.471 ( -6.853 -5.596 -3.881) 9.662 13.751 ( 12.044 -15.172 0.955) 19.394 14.978 ( 1.407 -0.034 -0.009) 1.408 15.255 ( -0.751 -5.293 -1.983) 5.702 17.979 ( 30.837 4.873 -3.458) 31.410 18.425 ( -12.600 -0.238 -10.174) 16.196 19.184 ( 7.652 5.003 0.156) 9.144 19.279 ( -16.860 2.540 -0.225) 17.052 20.486 ( 16.805 -7.802 24.902) 31.039 22.580 ( -23.721 -8.993 -25.143) 35.717 23.809 ( 12.547 -4.388 4.647) 14.081 24.347 ( -3.470 0.567 -6.552) 7.435 ======================= 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 7.23e-05 7.23e-05 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| 2.410 ( -12.515 1.725 -0.691) 12.653 2.594 ( -9.943 4.071 6.727) 12.676 2.814 ( 1.992 -1.963 -4.382) 5.198 3.039 ( 6.170 -2.097 -0.641) 6.548 3.330 ( 0.193 -3.558 -1.249) 3.775 3.681 ( 3.192 1.142 2.194) 4.038 3.791 ( 9.002 -7.909 -10.772) 16.113 3.898 ( -0.992 -0.230 -2.472) 2.673 5.336 ( -8.491 5.329 8.764) 13.316 5.451 ( -1.255 2.620 8.454) 8.939 5.748 ( -3.488 6.136 4.984) 8.641 5.946 ( 0.891 3.765 2.409) 4.558 7.080 ( -0.296 1.357 8.892) 9.000 7.373 ( -1.682 5.336 11.820) 13.077 7.597 ( -3.689 4.377 -7.354) 9.319 8.160 ( -0.117 1.478 17.263) 17.326 8.790 ( 2.980 -0.036 -8.104) 8.634 9.297 ( -3.632 16.528 2.829) 17.157 9.875 ( -8.726 -2.582 1.493) 9.221 10.667 ( -8.405 8.672 13.883) 18.400 11.045 ( 0.742 2.972 -3.587) 4.717 11.896 ( -14.214 0.355 -6.210) 15.515 12.491 ( 7.823 26.249 6.364) 28.120 12.914 ( -9.623 1.707 -7.224) 12.153 13.360 ( -3.583 -8.757 0.319) 9.467 14.010 ( 13.944 -16.606 -1.046) 21.709 14.989 ( -0.597 -2.574 0.109) 2.645 15.244 ( 0.358 -2.493 -3.188) 4.063 18.159 ( -8.663 2.844 -11.523) 14.694 18.596 ( 28.256 5.438 -5.557) 29.307 18.782 ( -22.621 -2.369 1.396) 22.787 19.511 ( 15.841 4.751 2.889) 16.788 20.929 ( 20.695 -7.697 27.371) 35.167 22.022 ( -26.317 -9.298 -26.045) 38.175 24.043 ( 9.504 -1.093 2.814) 9.972 24.259 ( -3.028 0.228 -8.349) 8.884 ======================= 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 7.23e-05 7.23e-05 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| 2.204 ( -7.807 7.384 6.400) 12.508 2.433 ( -7.953 8.705 9.173) 14.939 2.872 ( 4.370 -2.576 0.922) 5.156 3.202 ( 9.058 -6.055 1.522) 11.001 3.332 ( 0.487 3.111 0.320) 3.165 3.675 ( -3.273 3.352 -7.133) 8.534 3.876 ( 4.015 -0.941 0.838) 4.208 4.020 ( 9.935 -5.074 -3.720) 11.760 5.128 ( -12.291 3.844 7.213) 14.760 5.405 ( -6.027 2.290 6.421) 9.099 5.662 ( -6.518 3.085 6.157) 9.482 5.962 ( 0.105 3.775 0.330) 3.791 6.887 ( -17.096 -7.162 8.948) 20.582 7.489 ( 7.521 8.945 9.364) 14.975 7.559 ( 1.533 7.005 -5.986) 9.341 8.248 ( 4.729 1.680 16.917) 17.646 8.828 ( 1.733 0.971 -5.196) 5.563 9.206 ( -5.338 14.012 2.216) 15.157 9.698 ( -9.710 -1.650 4.439) 10.803 10.525 ( -9.024 11.139 17.340) 22.499 10.972 ( -6.502 2.046 -6.364) 9.325 11.592 ( -14.508 -2.158 -5.118) 15.534 12.616 ( 2.208 25.620 -0.600) 25.721 12.754 ( -3.968 7.906 -5.229) 10.275 13.346 ( 2.082 -11.763 2.714) 12.250 14.284 ( 14.147 -18.142 -4.234) 23.392 14.953 ( -2.995 -4.488 0.582) 5.427 15.250 ( 0.950 -0.758 -5.460) 5.594 17.894 ( -17.834 3.921 -5.168) 18.977 18.502 ( -3.162 -12.006 -3.184) 12.817 19.102 ( 23.577 5.231 -5.634) 24.799 19.806 ( 12.193 2.264 1.610) 12.506 21.372 ( 14.164 -3.384 24.213) 28.255 21.463 ( -20.706 -6.796 -19.972) 29.560 24.118 ( -1.151 2.009 -6.556) 6.953 24.276 ( 5.982 0.427 -1.384) 6.155 ======================= 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 7.23e-05 7.23e-05 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| 2.150 ( -0.454 10.395 15.097) 18.335 2.330 ( -4.601 14.499 11.314) 18.958 2.981 ( 5.559 -3.645 5.206) 8.443 3.249 ( -4.895 0.450 6.099) 7.833 3.464 ( 10.208 0.271 0.444) 10.221 3.591 ( -0.423 6.937 -8.658) 11.103 3.959 ( 2.852 -1.195 6.163) 6.895 4.172 ( 4.987 2.050 -3.274) 6.308 4.938 ( -7.058 -0.524 3.384) 7.844 5.251 ( -10.239 1.384 6.090) 11.993 5.532 ( -7.535 -1.776 6.090) 9.850 5.948 ( -1.419 2.507 -0.799) 2.989 6.558 ( -16.886 -4.525 9.846) 20.064 7.610 ( 6.527 7.878 -13.967) 17.313 7.663 ( 5.885 11.217 16.321) 20.659 8.399 ( 6.051 1.748 16.111) 17.298 8.785 ( -6.146 0.707 0.155) 6.188 9.153 ( 0.296 12.693 3.512) 13.173 9.526 ( -7.658 0.274 2.176) 7.966 10.418 ( -5.269 11.866 17.963) 22.164 10.780 ( -10.985 -1.268 -7.280) 13.239 11.330 ( -10.564 -4.645 -2.696) 11.851 12.572 ( -1.727 16.549 -13.303) 21.303 12.728 ( -1.266 17.833 1.849) 17.973 13.447 ( 6.753 -10.510 3.733) 13.038 14.531 ( 11.735 -20.302 -7.603) 24.651 14.882 ( -4.096 -4.244 0.809) 5.953 15.247 ( 0.218 -0.357 -7.890) 7.901 17.490 ( -21.094 -5.364 5.525) 22.455 18.566 ( 7.927 -13.746 -13.756) 21.001 19.486 ( 16.160 5.326 -5.489) 17.879 19.929 ( -0.537 -3.749 -5.107) 6.357 21.086 ( -6.591 2.061 -7.710) 10.351 21.681 ( 6.425 -1.611 21.189) 22.200 24.097 ( 1.837 2.923 -7.406) 8.171 24.381 ( 4.145 2.877 -0.397) 5.061 ======================= 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 7.23e-05 7.23e-05 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| 2.207 ( 0.617 7.970 18.136) 19.820 2.321 ( 1.283 20.984 14.059) 25.291 3.073 ( -2.037 0.641 6.188) 6.546 3.147 ( -1.017 2.649 2.368) 3.696 3.521 ( 0.044 -6.641 3.938) 7.721 3.766 ( 13.073 9.229 -1.022) 16.035 4.004 ( -0.294 2.745 13.386) 13.668 4.182 ( -2.181 8.494 -5.145) 10.167 4.860 ( -3.116 -3.355 -1.537) 4.830 5.085 ( -6.121 -0.132 6.409) 8.864 5.415 ( -5.056 -6.981 5.028) 9.979 5.909 ( -2.191 0.510 -0.219) 2.260 6.309 ( -10.152 1.600 10.424) 14.639 7.709 ( 5.546 11.818 -14.715) 19.671 7.799 ( 4.161 10.710 15.598) 19.373 8.515 ( -0.096 7.077 14.910) 16.504 8.685 ( 0.376 -2.777 4.843) 5.595 9.149 ( -4.376 10.345 4.711) 12.180 9.489 ( 5.712 3.675 -0.887) 6.850 10.420 ( 1.694 11.926 17.151) 20.959 10.518 ( -13.413 -6.580 -7.424) 16.683 11.182 ( -3.778 -7.294 -0.665) 8.241 12.543 ( 2.098 18.118 -14.245) 23.142 12.675 ( -3.872 14.385 -1.164) 14.943 13.600 ( 7.361 -8.003 3.494) 11.421 14.665 ( 1.368 -21.420 -9.973) 23.668 14.835 ( 1.623 -4.393 0.091) 4.684 15.223 ( -0.527 -0.123 -9.761) 9.776 17.120 ( -18.678 -14.082 13.678) 27.097 18.606 ( -1.830 -10.960 -26.207) 28.466 19.657 ( 1.412 1.555 -1.210) 2.424 19.903 ( 4.682 -1.804 -7.428) 8.964 21.186 ( 14.576 2.433 4.667) 15.497 21.706 ( -7.705 -0.324 13.271) 15.349 24.165 ( 5.882 4.175 -4.247) 8.371 24.430 ( 0.889 4.430 -1.313) 4.706 ======================= 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 7.23e-05 7.23e-05 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| 2.398 ( 2.285 4.070 13.052) 13.862 2.743 ( -1.191 10.799 13.469) 17.305 3.056 ( -2.412 1.223 6.313) 6.868 3.173 ( 0.711 2.113 3.566) 4.205 3.346 ( -0.867 -10.496 10.201) 14.662 3.972 ( 1.423 0.126 5.886) 6.056 4.273 ( 1.632 4.436 -7.572) 8.926 4.312 ( 5.876 8.242 9.406) 13.817 4.775 ( -4.791 4.737 -2.233) 7.098 4.963 ( -5.380 -7.234 1.935) 9.221 5.220 ( 3.407 -4.422 2.848) 6.267 5.846 ( -1.468 -1.235 3.243) 3.767 6.287 ( -1.845 2.190 9.031) 9.474 7.858 ( -0.563 2.646 -11.720) 12.028 8.201 ( 3.818 14.161 13.191) 19.726 8.486 ( -1.579 -9.090 17.621) 19.890 8.878 ( 12.318 4.361 1.405) 13.143 9.316 ( -0.606 9.035 6.405) 11.091 9.711 ( 10.517 0.345 -1.819) 10.679 10.040 ( -17.069 -6.265 -6.100) 19.178 10.789 ( 8.116 9.413 13.078) 18.042 10.988 ( 3.304 -9.316 6.361) 11.755 12.794 ( -4.434 6.305 -1.780) 7.911 12.874 ( 2.648 8.184 -6.731) 10.922 13.685 ( 5.221 2.836 -3.560) 6.926 14.190 ( -2.220 -16.598 -14.183) 21.945 14.781 ( 0.972 -2.589 0.045) 2.765 15.190 ( 0.002 -0.102 -11.594) 11.594 16.596 ( -14.186 -5.101 17.215) 22.883 18.337 ( -4.737 -2.390 -29.397) 29.872 19.643 ( -0.605 -0.461 1.524) 1.703 19.994 ( 3.098 0.051 -8.551) 9.095 21.477 ( -14.145 1.052 7.277) 15.942 21.548 ( 17.215 -1.912 6.534) 18.512 24.343 ( 5.432 1.827 -0.902) 5.801 24.469 ( -3.052 1.096 -1.854) 3.736 ======================= 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 7.23e-05 7.23e-05 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| 2.469 ( 2.212 5.198 9.892) 11.392 2.761 ( -0.186 7.745 14.557) 16.490 3.028 ( -0.203 1.059 1.315) 1.700 3.167 ( -2.460 2.041 6.780) 7.496 3.346 ( -2.105 -11.053 8.735) 14.244 3.967 ( -3.107 1.879 0.643) 3.687 4.220 ( -2.941 2.433 -5.635) 6.806 4.511 ( 8.109 8.753 7.985) 14.357 4.651 ( -6.248 5.187 -0.437) 8.132 4.874 ( -2.601 -10.254 4.360) 11.442 5.367 ( 9.552 -1.732 1.087) 9.768 5.867 ( 2.812 -1.517 2.406) 4.000 6.305 ( 1.534 2.508 9.196) 9.655 7.828 ( 0.930 3.078 -11.543) 11.982 8.237 ( -5.475 11.442 18.086) 22.091 8.534 ( 5.114 -6.843 10.316) 13.394 9.065 ( 4.239 8.338 -3.739) 10.073 9.354 ( 1.731 10.250 9.516) 14.093 9.613 ( -14.683 -6.373 -2.494) 16.200 10.021 ( 12.419 -1.814 -2.301) 12.760 11.077 ( 16.417 1.707 10.182) 19.393 11.153 ( 12.704 -4.015 5.262) 14.325 12.686 ( -5.046 10.033 -1.556) 11.338 12.943 ( 4.813 3.987 -4.920) 7.954 13.744 ( 1.630 1.215 -4.469) 4.910 14.064 ( -6.838 -13.220 -14.813) 20.999 14.813 ( 2.147 -3.850 -0.759) 4.473 15.172 ( 0.697 -0.342 -10.294) 10.323 16.459 ( -3.453 -3.234 17.767) 18.386 18.222 ( 0.373 -2.965 -21.065) 21.276 19.601 ( -4.839 -0.372 -0.267) 4.861 19.952 ( -5.163 -0.034 -7.533) 9.133 21.162 ( -16.837 1.707 5.532) 17.804 21.965 ( 21.537 -3.784 4.489) 22.323 24.330 ( -8.666 2.708 -3.395) 9.694 24.439 ( 2.437 -0.132 -0.388) 2.471 ======================= 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 7.23e-05 7.23e-05 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| 2.532 ( 2.196 6.415 7.313) 9.973 2.803 ( 1.257 6.850 13.542) 15.228 3.051 ( 1.864 -1.531 0.149) 2.417 3.124 ( -2.945 0.581 4.077) 5.063 3.293 ( -4.916 -11.602 7.785) 14.812 3.870 ( -5.572 5.503 -4.445) 9.005 4.081 ( -9.348 0.074 -14.955) 17.637 4.440 ( -11.039 -3.795 -7.041) 13.632 4.709 ( 7.595 8.973 15.636) 19.562 4.980 ( 10.122 -4.373 11.461) 15.904 5.565 ( 9.776 0.405 0.851) 9.822 5.943 ( 3.641 -1.554 1.949) 4.412 6.393 ( 5.437 2.866 8.958) 10.864 7.846 ( 2.739 3.794 -7.736) 9.041 8.100 ( -10.667 6.760 14.275) 19.060 8.623 ( -2.947 -4.075 7.057) 8.666 9.053 ( -3.235 6.359 -5.001) 8.713 9.322 ( -0.633 6.827 0.574) 6.880 9.532 ( 4.156 -0.879 10.607) 11.426 10.272 ( 12.669 -0.528 -0.304) 12.683 11.250 ( 2.702 -4.438 -2.837) 5.920 11.611 ( 25.346 2.271 10.563) 27.552 12.617 ( -1.173 15.439 -0.718) 15.501 13.023 ( 3.792 -3.683 -1.695) 5.551 13.729 ( -2.284 0.997 -4.047) 4.753 13.869 ( -9.047 -10.261 -13.840) 19.460 14.857 ( 2.519 -3.169 -1.211) 4.225 15.169 ( 1.044 -1.225 -7.941) 8.102 16.553 ( 9.515 -0.688 14.262) 17.159 18.278 ( 9.059 -4.603 -12.823) 16.360 19.435 ( -11.593 -0.321 -2.243) 11.813 19.793 ( -8.187 0.006 -4.111) 9.161 20.858 ( -15.521 3.024 5.688) 16.805 22.391 ( 20.553 -5.195 1.521) 21.254 24.081 ( -15.073 1.548 -6.078) 16.325 24.470 ( 0.674 0.248 -0.590) 0.930 ======================= 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 7.23e-05 7.23e-05 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| 2.583 ( 1.174 6.584 6.112) 9.060 2.870 ( 2.738 6.166 9.225) 11.428 3.048 ( -5.023 1.373 1.737) 5.490 3.097 ( 1.644 -6.650 -2.991) 7.475 3.215 ( -3.800 -11.406 7.580) 14.212 3.718 ( -9.486 3.401 -12.985) 16.436 3.846 ( -8.119 4.831 -12.748) 15.867 4.194 ( -10.866 -7.021 -8.754) 15.620 4.935 ( 10.849 4.807 16.126) 20.021 5.229 ( 10.992 -0.678 12.922) 16.978 5.739 ( 7.352 2.064 1.290) 7.745 5.996 ( 0.941 -1.064 2.437) 2.821 6.563 ( 9.728 3.425 8.428) 13.318 7.853 ( -5.705 6.705 10.989) 14.081 7.951 ( -2.393 3.309 -2.319) 4.696 8.432 ( -14.613 -6.797 4.852) 16.831 8.932 ( -5.882 3.724 -10.060) 12.234 9.479 ( 10.943 14.213 5.741) 18.834 9.691 ( 9.336 -4.348 10.954) 15.035 10.514 ( 11.803 -0.151 1.141) 11.859 11.186 ( -7.277 -3.148 -7.463) 10.889 12.073 ( 17.420 2.485 9.561) 20.026 12.635 ( 2.515 21.347 -1.198) 21.528 13.087 ( 3.033 -13.978 2.737) 14.563 13.593 ( -10.985 -2.464 -3.304) 11.733 13.701 ( -4.582 -2.992 -10.640) 11.964 14.904 ( 2.394 -1.504 -1.282) 3.104 15.174 ( 0.957 -2.065 -5.647) 6.088 16.896 ( 22.323 1.016 7.506) 23.573 18.497 ( 14.473 -4.724 -7.121) 16.808 19.152 ( -15.512 -0.140 -3.780) 15.967 19.664 ( -3.655 -0.426 0.597) 3.728 20.559 ( -16.465 3.598 7.350) 18.386 22.762 ( 16.085 -5.523 -3.525) 17.369 23.732 ( -17.399 0.475 -6.141) 18.457 24.465 ( -0.878 0.258 -2.169) 2.354 ======================= 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 7.23e-05 7.23e-05 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| 2.599 ( -0.946 3.281 4.013) 5.269 2.912 ( -7.231 -1.286 3.719) 8.232 2.933 ( 0.056 6.149 0.217) 6.154 3.098 ( -1.016 -7.690 -1.799) 7.963 3.200 ( 0.626 -5.497 1.723) 5.794 3.467 ( -8.791 -2.434 -20.186) 22.151 3.740 ( -1.961 8.561 -3.702) 9.531 4.003 ( -6.093 -7.160 -8.227) 12.493 5.183 ( 10.278 2.858 14.416) 17.934 5.442 ( 7.032 0.512 12.196) 14.087 5.853 ( 3.664 2.991 1.966) 5.122 5.993 ( -1.661 -0.222 3.916) 4.259 6.801 ( 11.966 3.963 7.608) 14.723 7.712 ( -8.520 6.724 10.575) 15.154 7.941 ( -2.337 5.306 1.532) 5.997 8.160 ( -12.447 -11.263 7.057) 18.210 8.820 ( -1.932 3.348 -15.135) 15.620 9.650 ( 4.255 15.524 11.052) 19.525 9.908 ( 8.165 -5.368 0.896) 9.813 10.746 ( 11.428 0.048 0.345) 11.433 10.994 ( -9.039 -1.379 -0.214) 9.147 12.290 ( 1.980 1.557 3.248) 4.111 12.692 ( 3.838 24.108 0.909) 24.428 13.172 ( 4.171 -21.814 2.125) 22.311 13.365 ( -9.944 0.180 3.390) 10.508 13.579 ( -6.066 -0.908 -9.186) 11.046 14.941 ( 1.494 -0.830 -1.006) 1.983 15.183 ( 1.154 -1.741 -4.334) 4.811 17.437 ( 30.656 1.940 0.578) 30.722 18.668 ( -5.492 -1.950 -7.560) 9.546 18.957 ( 6.563 -0.175 -1.284) 6.690 19.622 ( -4.270 -0.333 0.724) 4.344 20.282 ( -10.762 1.510 14.997) 18.520 22.861 ( -8.718 -4.526 -18.765) 21.180 23.527 ( 2.357 -1.126 4.405) 5.121 24.426 ( -2.300 0.220 -4.463) 5.026 ======================= 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 7.23e-05 7.23e-05 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| 2.552 ( -4.664 -1.222 1.369) 5.012 2.758 ( -7.180 -1.785 0.964) 7.462 2.895 ( -3.712 5.310 -4.431) 7.849 3.043 ( -3.532 -0.413 -4.404) 5.660 3.233 ( 3.339 0.361 -0.773) 3.446 3.384 ( 3.706 -10.767 -8.933) 14.473 3.732 ( 1.409 5.354 -1.572) 5.755 3.918 ( -1.002 -3.590 -7.792) 8.638 5.384 ( 6.511 2.030 11.864) 13.685 5.529 ( -1.460 1.003 10.099) 10.254 5.890 ( -0.538 3.107 2.688) 4.143 5.975 ( -0.524 0.683 5.209) 5.279 7.037 ( 8.655 3.210 8.047) 12.246 7.586 ( -6.082 7.466 5.750) 11.216 7.793 ( -10.023 1.191 -0.862) 10.130 8.046 ( -3.508 -8.779 18.832) 21.072 8.796 ( 3.147 3.021 -17.566) 18.100 9.699 ( -1.817 14.680 7.079) 16.399 9.932 ( -4.524 -6.150 -4.636) 8.932 10.851 ( -2.794 1.096 6.293) 6.972 10.988 ( 7.846 0.732 5.517) 9.620 12.177 ( -11.728 0.485 -2.689) 12.042 12.808 ( 7.031 21.588 3.520) 22.975 13.109 ( -7.464 -4.777 -1.472) 8.984 13.358 ( 0.196 -6.784 3.169) 7.490 13.451 ( -0.015 -9.026 -2.417) 9.344 14.953 ( -0.214 -1.471 -0.485) 1.563 15.202 ( 1.790 -0.542 -4.536) 4.907 18.062 ( 31.934 2.518 -4.103) 32.295 18.413 ( -11.891 -0.620 -9.767) 15.401 19.252 ( 17.183 1.733 1.550) 17.340 19.335 ( -23.855 1.881 -2.304) 24.040 20.359 ( 13.046 -3.655 25.481) 28.859 22.440 ( -24.040 -3.799 -24.158) 34.292 23.748 ( 14.076 -1.490 5.903) 15.336 24.354 ( -3.624 0.115 -7.132) 8.000 ======================= 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 7.23e-05 7.23e-05 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| 2.432 ( -6.859 0.655 1.516) 7.055 2.660 ( -3.032 1.090 0.293) 3.236 2.814 ( -2.345 1.426 -1.688) 3.222 2.997 ( -0.137 -1.462 -1.551) 2.136 3.327 ( 6.042 4.244 -0.194) 7.386 3.501 ( 8.069 -11.398 -1.815) 14.083 3.782 ( 4.272 1.469 -2.945) 5.393 3.905 ( 1.016 0.252 -9.122) 9.182 5.423 ( -9.356 2.577 8.490) 12.893 5.484 ( -0.383 0.555 8.892) 8.918 5.842 ( -5.091 2.479 3.345) 6.577 5.997 ( 0.944 1.148 4.445) 4.687 7.063 ( -10.193 -1.217 9.735) 14.147 7.538 ( 1.408 6.903 0.413) 7.057 7.678 ( 0.436 3.692 -0.737) 3.790 8.052 ( -0.942 -7.941 23.759) 25.068 8.848 ( 5.256 3.243 -14.749) 15.990 9.596 ( -7.612 10.779 -7.263) 15.063 9.805 ( -7.830 -4.418 9.709) 13.232 10.804 ( -5.038 3.739 15.107) 16.358 11.091 ( 0.862 1.393 -0.508) 1.716 11.874 ( -17.174 -1.313 -3.574) 17.591 12.944 ( 1.513 8.317 -1.816) 8.646 13.016 ( 2.843 12.426 3.011) 13.098 13.228 ( -7.289 -0.718 -3.607) 8.165 13.625 ( 11.604 -19.068 2.370) 22.447 14.930 ( -1.951 -2.028 0.250) 2.825 15.229 ( 1.997 0.150 -5.965) 6.292 18.211 ( -4.848 1.679 -11.492) 12.585 18.622 ( 10.950 -1.175 0.448) 11.022 18.801 ( -13.886 2.317 -7.022) 15.732 19.586 ( 15.082 2.107 2.770) 15.478 20.796 ( 22.675 -4.028 28.706) 36.802 21.892 ( -24.950 -3.170 -23.949) 34.730 24.030 ( 12.637 -0.253 4.028) 13.266 24.257 ( -3.917 -0.225 -9.567) 10.340 ======================= 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 7.23e-05 7.23e-05 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| 2.324 ( -4.446 3.395 6.018) 8.216 2.635 ( 0.136 9.605 4.155) 10.466 2.825 ( 2.981 -2.216 3.869) 5.363 3.014 ( 1.211 -8.890 3.039) 9.473 3.466 ( 7.354 8.499 1.263) 11.310 3.644 ( 5.074 -6.659 0.820) 8.412 3.878 ( 5.066 0.896 -6.327) 8.155 3.933 ( 6.526 -2.194 -9.316) 11.584 5.206 ( -13.179 2.535 7.440) 15.345 5.435 ( -6.591 0.677 6.626) 9.370 5.703 ( -9.700 0.971 3.668) 10.415 6.007 ( -1.106 0.809 2.553) 2.898 6.783 ( -17.045 -2.589 9.636) 19.751 7.587 ( 4.915 1.787 -9.145) 10.535 7.789 ( 7.001 12.590 10.272) 17.693 8.122 ( 2.807 -10.682 22.018) 24.632 8.910 ( 2.980 4.016 -9.270) 10.532 9.437 ( -5.668 7.213 -6.777) 11.406 9.653 ( -10.241 -2.418 12.889) 16.639 10.714 ( -7.222 5.440 15.225) 17.707 11.014 ( -7.875 1.821 -2.381) 8.426 11.521 ( -17.215 -3.241 -2.036) 17.635 12.886 ( -2.841 9.112 -6.218) 11.391 13.095 ( -4.451 -7.006 -2.336) 8.623 13.194 ( 9.281 18.405 3.986) 20.994 13.867 ( 12.489 -19.673 -2.871) 23.478 14.882 ( -2.943 -1.932 0.898) 3.634 15.247 ( 1.333 0.123 -7.892) 8.005 18.010 ( -26.651 6.525 0.812) 27.450 18.267 ( -1.709 -9.509 -9.307) 13.415 19.190 ( 23.846 2.562 -8.912) 25.586 19.826 ( 7.740 0.129 0.435) 7.753 21.304 ( 20.458 -2.190 27.433) 34.292 21.392 ( -19.285 -1.113 -18.095) 26.468 24.157 ( -1.626 1.375 -9.797) 10.026 24.267 ( 8.817 -0.779 1.482) 8.974 ======================= 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 7.23e-05 7.23e-05 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| 2.290 ( -1.058 3.402 11.238) 11.789 2.681 ( 2.451 17.818 9.014) 20.118 2.920 ( 4.444 -1.895 7.599) 9.005 3.058 ( 2.290 -14.962 9.057) 17.639 3.520 ( -3.967 3.214 -2.378) 5.632 3.750 ( 7.759 4.693 1.994) 9.285 3.974 ( 6.788 3.932 -3.752) 8.696 4.114 ( 11.236 -6.465 -7.196) 14.827 4.976 ( -10.651 2.334 5.439) 12.185 5.271 ( -10.678 0.486 5.633) 12.083 5.488 ( -12.264 -1.612 3.479) 12.850 5.964 ( -3.522 -0.226 2.635) 4.404 6.508 ( -12.246 -0.828 8.900) 15.161 7.709 ( 9.596 2.234 -12.565) 15.967 7.943 ( 5.376 14.633 15.518) 21.996 8.248 ( 4.773 -12.773 18.445) 22.938 8.889 ( -4.326 4.790 -1.350) 6.594 9.363 ( -1.250 7.676 0.274) 7.782 9.495 ( -6.086 -3.257 5.695) 8.949 10.607 ( -6.494 4.192 8.611) 11.572 10.801 ( -12.197 3.532 1.644) 12.804 11.213 ( -13.379 -5.175 1.263) 14.401 12.828 ( -1.045 11.181 -8.682) 14.194 13.011 ( -4.077 -1.536 0.393) 4.374 13.389 ( 9.463 10.373 0.311) 14.044 14.081 ( 9.866 -19.724 -7.989) 23.456 14.825 ( -2.896 -1.387 1.175) 3.420 15.243 ( 0.365 -0.065 -9.806) 9.813 17.424 ( -29.625 -1.343 9.182) 31.044 18.363 ( 9.635 -5.281 -19.557) 22.432 19.581 ( 17.366 3.172 -8.173) 19.454 19.852 ( -4.322 -2.804 -5.205) 7.324 21.128 ( -3.411 1.349 -4.248) 5.612 21.655 ( 8.135 -0.714 21.224) 22.741 24.139 ( 2.737 1.064 -8.615) 9.102 24.415 ( 5.538 0.641 0.931) 5.652 ======================= 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 7.23e-05 7.23e-05 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| 2.327 ( 1.543 3.255 13.846) 14.307 2.734 ( -0.141 17.166 11.827) 20.846 3.020 ( 3.583 -1.555 9.842) 10.589 3.139 ( 2.223 -9.005 10.454) 13.975 3.392 ( -5.807 -1.614 -1.288) 6.163 3.897 ( 5.124 2.070 4.858) 7.358 4.120 ( 8.226 8.316 -0.393) 11.703 4.275 ( 5.118 -1.546 -4.366) 6.903 4.844 ( -3.601 1.700 0.961) 4.097 5.083 ( -8.422 -0.157 4.547) 9.572 5.273 ( -8.969 -5.176 3.455) 10.916 5.895 ( -3.819 -0.907 3.813) 5.472 6.345 ( -6.351 1.239 8.206) 10.450 7.850 ( 5.494 2.784 -11.994) 13.482 8.080 ( 5.248 14.789 13.457) 20.672 8.395 ( 6.317 -12.130 15.602) 20.748 8.778 ( -4.549 4.505 7.375) 9.766 9.338 ( -2.498 6.970 5.689) 9.338 9.516 ( 7.612 -0.908 -2.860) 8.183 10.399 ( -15.725 -3.333 -6.369) 17.290 10.679 ( -0.550 10.331 14.745) 18.013 11.015 ( -6.892 -7.732 4.567) 11.320 12.812 ( 1.300 10.252 -7.842) 12.973 12.926 ( -4.561 2.933 -1.046) 5.522 13.560 ( 7.916 5.781 -1.929) 9.991 14.201 ( 4.287 -19.164 -11.928) 22.976 14.783 ( -1.353 -1.192 0.904) 2.017 15.220 ( -0.197 -0.128 -11.262) 11.265 16.929 ( -22.900 -4.524 13.877) 27.156 18.448 ( 2.565 -3.976 -29.278) 29.658 19.684 ( -4.654 0.806 -1.439) 4.938 19.875 ( 10.227 -0.795 -8.495) 13.319 21.223 ( 11.241 0.982 5.366) 12.495 21.700 ( -7.020 -0.160 12.662) 14.479 24.223 ( 6.546 1.411 -4.255) 7.934 24.486 ( 1.498 1.220 -0.257) 1.949 ======================= 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 7.23e-05 7.23e-05 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| 1.777 ( -1.525 0.000 17.985) 18.049 1.968 ( -0.480 0.000 13.253) 13.262 2.746 ( 10.136 0.000 -5.220) 11.401 2.925 ( 0.339 0.000 -11.413) 11.418 3.651 ( 2.943 0.000 1.733) 3.416 3.772 ( -2.562 0.000 -1.025) 2.760 4.175 ( 8.091 0.000 25.510) 26.762 4.310 ( 3.022 0.000 12.621) 12.977 4.894 ( -7.907 0.000 -2.285) 8.231 5.039 ( -7.559 0.000 0.408) 7.570 5.696 ( 2.503 0.000 1.703) 3.027 5.794 ( 2.881 0.000 -1.397) 3.202 6.281 ( -10.025 0.000 13.493) 16.810 6.870 ( 5.264 0.000 -16.464) 17.285 7.535 ( 0.236 0.000 18.395) 18.396 8.103 ( -6.245 0.000 -10.264) 12.014 8.293 ( -11.837 0.000 12.572) 17.267 8.816 ( 12.038 0.000 -14.287) 18.682 9.825 ( 15.265 0.000 24.936) 29.237 10.498 ( -7.303 0.000 -10.091) 12.456 10.544 ( 6.061 0.000 -0.228) 6.065 10.697 ( -7.487 0.000 -7.829) 10.833 11.764 ( 0.912 0.000 1.740) 1.965 12.100 ( 7.966 0.000 -13.566) 15.732 14.279 ( 5.178 0.000 8.768) 10.182 14.744 ( -5.870 0.000 -13.829) 15.023 15.218 ( -5.776 0.000 3.996) 7.024 15.349 ( 8.751 0.000 -4.941) 10.049 18.287 ( -45.593 0.000 4.013) 45.769 18.452 ( 26.213 0.000 -3.571) 26.455 19.852 ( 0.666 0.000 1.346) 1.502 19.907 ( -0.833 0.000 -1.273) 1.521 21.585 ( -29.999 0.000 9.920) 31.597 21.924 ( 43.416 0.000 -7.567) 44.070 23.786 ( 7.037 0.000 4.016) 8.103 23.967 ( -5.648 0.000 -5.055) 7.580 ======================= 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 7.23e-05 7.23e-05 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| 1.895 ( 8.766 0.000 18.215) 20.215 2.062 ( 7.275 0.000 7.346) 10.339 2.904 ( 0.261 0.000 -15.825) 15.827 2.959 ( 12.242 0.000 -6.134) 13.693 3.627 ( -4.364 0.000 0.003) 4.364 3.682 ( -5.874 0.000 -2.971) 6.582 4.413 ( 8.856 0.000 28.650) 29.988 4.430 ( 4.596 0.000 6.152) 7.679 4.739 ( -6.447 0.000 -6.491) 9.149 4.915 ( -4.668 0.000 8.712) 9.884 5.734 ( 1.076 0.000 -0.573) 1.219 5.825 ( 0.644 0.000 -2.723) 2.798 6.235 ( 1.347 0.000 12.668) 12.740 6.984 ( 9.501 0.000 -12.901) 16.022 7.576 ( -0.960 0.000 21.549) 21.570 7.933 ( -7.624 0.000 -8.046) 11.084 8.146 ( -5.311 0.000 12.002) 13.124 9.117 ( 20.073 0.000 -13.221) 24.036 10.124 ( 7.249 0.000 30.811) 31.652 10.239 ( -12.426 0.000 -20.319) 23.818 10.656 ( 2.107 0.000 -2.479) 3.254 10.764 ( 17.492 0.000 -8.208) 19.322 11.740 ( -3.376 0.000 -2.510) 4.207 12.250 ( 10.469 0.000 -15.645) 18.825 14.412 ( 5.860 0.000 8.823) 10.592 14.595 ( -6.250 0.000 -14.398) 15.696 15.081 ( -8.826 0.000 1.878) 9.024 15.487 ( 6.267 0.000 -3.927) 7.396 17.497 ( -34.423 0.000 16.470) 38.160 18.982 ( 26.336 0.000 2.223) 26.430 19.803 ( -5.404 0.000 2.493) 5.952 19.845 ( -5.240 0.000 -1.699) 5.509 20.936 ( -36.165 0.000 4.631) 36.460 22.656 ( 32.243 0.000 -15.998) 35.994 23.833 ( -6.326 0.000 -5.669) 8.494 23.952 ( 8.364 0.000 3.414) 9.034 ======================= 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 7.23e-05 7.23e-05 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| 2.177 ( 15.018 0.000 17.220) 22.849 2.261 ( 10.969 0.000 3.411) 11.487 2.854 ( -1.314 0.000 -19.076) 19.121 3.169 ( 8.163 0.000 -3.853) 9.027 3.522 ( -5.507 0.000 -1.123) 5.620 3.554 ( -3.486 0.000 -10.174) 10.754 4.424 ( -6.154 0.000 0.936) 6.225 4.535 ( -6.072 0.000 12.752) 14.124 4.715 ( 8.358 0.000 7.192) 11.027 4.954 ( 5.441 0.000 15.313) 16.251 5.733 ( -0.909 0.000 -1.870) 2.079 5.819 ( -0.450 0.000 -2.992) 3.026 6.335 ( 5.141 0.000 10.019) 11.261 7.165 ( 10.397 0.000 -7.855) 13.031 7.590 ( -2.242 0.000 20.964) 21.083 7.786 ( -5.522 0.000 -5.089) 7.510 8.145 ( 1.428 0.000 16.402) 16.464 9.503 ( 20.959 0.000 -11.736) 24.021 9.972 ( -8.825 0.000 -24.423) 25.968 10.260 ( 0.582 0.000 30.073) 30.079 10.735 ( 6.418 0.000 -1.995) 6.721 11.124 ( 16.960 0.000 -6.460) 18.148 11.639 ( -4.158 0.000 -4.552) 6.165 12.435 ( 12.332 0.000 -20.895) 24.263 14.426 ( -7.743 0.000 -13.273) 15.367 14.496 ( -2.271 0.000 9.944) 10.200 14.918 ( -5.466 0.000 2.352) 5.951 15.577 ( 3.654 0.000 -3.751) 5.237 17.063 ( -13.216 0.000 18.569) 22.792 19.336 ( 0.975 0.000 -2.817) 2.981 19.698 ( -8.892 0.000 -2.814) 9.327 19.775 ( 6.441 0.000 9.630) 11.585 20.254 ( -29.809 0.000 5.949) 30.396 23.078 ( 13.767 0.000 -23.358) 27.114 23.731 ( -1.346 0.000 -2.596) 2.925 24.114 ( 7.140 0.000 1.350) 7.267 ======================= 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 7.23e-05 7.23e-05 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| 2.493 ( 11.854 0.000 1.077) 11.903 2.535 ( 16.732 0.000 15.346) 22.704 2.776 ( -1.642 0.000 -19.187) 19.258 3.141 ( -9.334 0.000 -1.771) 9.500 3.419 ( -4.446 0.000 -1.886) 4.830 3.622 ( 12.144 0.000 -14.458) 18.881 4.244 ( -11.865 0.000 5.150) 12.934 4.380 ( -9.743 0.000 -0.842) 9.779 4.932 ( 9.259 0.000 15.338) 17.917 5.130 ( 7.949 0.000 12.422) 14.748 5.693 ( -2.534 0.000 -2.193) 3.351 5.792 ( -1.695 0.000 -3.809) 4.169 6.471 ( 6.443 0.000 10.586) 12.392 7.311 ( 4.550 0.000 -4.296) 6.258 7.601 ( -0.738 0.000 17.958) 17.973 7.705 ( -1.433 0.000 -1.451) 2.039 8.248 ( 3.904 0.000 21.821) 22.168 9.765 ( -2.058 0.000 -14.836) 14.978 9.886 ( 15.867 0.000 -23.905) 28.692 10.303 ( -2.725 0.000 26.525) 26.664 10.902 ( 10.713 0.000 -0.424) 10.722 11.209 ( -7.960 0.000 3.133) 8.555 11.702 ( 11.252 0.000 -6.449) 12.969 12.626 ( 11.981 0.000 -27.830) 30.300 14.241 ( -7.784 0.000 -9.783) 12.502 14.328 ( -14.274 0.000 11.393) 18.263 14.933 ( 3.864 0.000 5.499) 6.721 15.609 ( 0.451 0.000 -4.569) 4.591 17.044 ( 6.828 0.000 12.386) 14.144 19.088 ( -19.203 0.000 -5.672) 20.023 19.497 ( -10.135 0.000 -4.142) 10.949 19.516 ( -25.599 0.000 -1.772) 25.660 20.339 ( 22.284 0.000 24.216) 32.909 23.084 ( -5.291 0.000 -26.138) 26.669 23.802 ( 7.312 0.000 -0.909) 7.368 24.227 ( 4.087 0.000 -1.046) 4.218 ======================= 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 7.23e-05 7.23e-05 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| 2.713 ( 0.307 0.000 -15.241) 15.244 2.719 ( 9.470 0.000 -1.196) 9.545 2.870 ( 11.694 0.000 9.804) 15.260 2.907 ( -11.123 0.000 -2.677) 11.441 3.357 ( -0.679 0.000 1.998) 2.111 3.854 ( 12.669 0.000 -10.771) 16.629 4.003 ( -13.548 0.000 7.968) 15.717 4.151 ( -12.710 0.000 -4.995) 13.656 5.131 ( 7.362 0.000 12.874) 14.830 5.297 ( 6.093 0.000 9.139) 10.983 5.631 ( -3.050 0.000 -1.882) 3.584 5.731 ( -3.476 0.000 -3.491) 4.926 6.643 ( 8.356 0.000 11.731) 14.403 7.306 ( -3.289 0.000 -5.003) 5.988 7.648 ( 1.584 0.000 14.441) 14.528 7.721 ( 1.976 0.000 3.037) 3.623 8.377 ( 3.414 0.000 24.930) 25.163 9.684 ( -0.028 0.000 -25.247) 25.247 10.147 ( 13.363 0.000 -15.540) 20.495 10.259 ( -7.632 0.000 18.022) 19.572 11.002 ( -12.297 0.000 14.611) 19.097 11.135 ( 11.901 0.000 1.768) 12.031 11.876 ( 5.277 0.000 -2.584) 5.876 12.743 ( 5.927 0.000 -34.010) 34.523 14.086 ( -11.612 0.000 11.185) 16.123 14.114 ( -2.106 0.000 -5.141) 5.556 15.028 ( 3.779 0.000 8.470) 9.275 15.574 ( -2.631 0.000 -5.974) 6.528 17.344 ( 20.219 0.000 6.272) 21.170 18.636 ( -23.787 0.000 -9.045) 25.448 19.111 ( -14.379 0.000 2.642) 14.620 19.303 ( -7.867 0.000 -4.991) 9.317 20.852 ( 22.553 0.000 26.605) 34.878 22.835 ( -12.779 0.000 -27.247) 30.095 23.948 ( 6.968 0.000 -0.205) 6.971 24.262 ( -0.148 0.000 -3.098) 3.102 ======================= 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 7.23e-05 7.23e-05 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| 2.579 ( -14.737 0.000 -0.690) 14.753 2.719 ( 3.260 0.000 -9.195) 9.755 2.960 ( -3.376 0.000 -1.722) 3.790 2.991 ( 11.882 0.000 -3.495) 12.385 3.424 ( 1.166 0.000 16.983) 17.023 3.803 ( -4.482 0.000 4.720) 6.509 3.833 ( -16.029 0.000 -3.570) 16.421 4.064 ( 7.965 0.000 -8.423) 11.592 5.276 ( 4.656 0.000 10.018) 11.047 5.405 ( 2.944 0.000 7.481) 8.039 5.570 ( -2.611 0.000 -1.839) 3.194 5.652 ( -3.423 0.000 -2.517) 4.249 6.845 ( 9.057 0.000 11.909) 14.961 7.198 ( -5.504 0.000 -7.247) 9.100 7.714 ( 1.685 0.000 10.002) 10.143 7.768 ( 1.804 0.000 4.326) 4.687 8.487 ( 1.769 0.000 25.833) 25.894 9.630 ( -0.005 0.000 -28.319) 28.319 10.068 ( -14.311 0.000 7.785) 16.292 10.347 ( 10.414 0.000 -12.013) 15.898 10.842 ( -8.618 0.000 26.792) 28.144 11.342 ( 7.663 0.000 3.798) 8.552 11.878 ( -4.642 0.000 2.555) 5.298 12.679 ( -4.350 0.000 -34.644) 34.916 13.942 ( -5.188 0.000 9.011) 10.398 14.162 ( 7.880 0.000 -4.256) 8.956 15.123 ( 3.732 0.000 10.522) 11.164 15.486 ( -4.500 0.000 -7.280) 8.559 17.822 ( 25.969 0.000 3.939) 26.266 18.154 ( -21.534 0.000 -12.123) 24.712 18.968 ( -1.350 0.000 5.631) 5.790 19.193 ( -1.439 0.000 -4.663) 4.880 21.329 ( 19.290 0.000 28.035) 34.031 22.468 ( -17.876 0.000 -29.886) 34.824 24.066 ( 4.768 0.000 1.351) 4.956 24.207 ( -4.545 0.000 -4.386) 6.316 ======================= 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 7.23e-05 7.23e-05 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| 2.294 ( -13.911 0.000 5.363) 14.909 2.744 ( -6.958 0.000 -1.813) 7.191 2.855 ( 1.657 0.000 -1.358) 2.142 3.207 ( 10.077 0.000 -8.164) 12.969 3.329 ( -10.910 0.000 13.875) 17.650 3.487 ( -16.533 0.000 -3.003) 16.803 3.923 ( 10.823 0.000 5.940) 12.346 4.148 ( 1.010 0.000 0.803) 1.290 5.359 ( 1.664 0.000 7.405) 7.590 5.451 ( 0.062 0.000 6.145) 6.145 5.520 ( -1.920 0.000 -1.123) 2.224 5.597 ( -1.339 0.000 -2.249) 2.617 7.037 ( 7.265 0.000 11.035) 13.212 7.074 ( -4.822 0.000 -10.265) 11.341 7.725 ( -3.386 0.000 4.646) 5.749 7.819 ( 2.772 0.000 2.433) 3.689 8.566 ( 0.529 0.000 26.223) 26.228 9.529 ( -4.054 0.000 -29.366) 29.645 9.771 ( -16.230 0.000 6.652) 17.541 10.504 ( 7.499 0.000 -7.667) 10.725 10.755 ( -7.361 0.000 27.024) 28.008 11.436 ( 0.509 0.000 6.417) 6.437 11.747 ( -8.406 0.000 8.324) 11.830 12.451 ( -9.866 0.000 -32.325) 33.798 13.916 ( 0.303 0.000 7.223) 7.229 14.373 ( 13.720 0.000 -6.184) 15.049 15.221 ( 3.500 0.000 11.424) 11.948 15.370 ( -5.502 0.000 -8.341) 9.992 17.775 ( -12.894 0.000 -14.525) 19.422 18.351 ( 26.231 0.000 4.692) 26.648 19.060 ( 8.505 0.000 6.346) 10.611 19.248 ( 8.257 0.000 -2.952) 8.769 21.732 ( 14.836 0.000 28.400) 32.041 21.992 ( -23.406 0.000 -32.316) 39.902 24.071 ( -7.929 0.000 -4.710) 9.223 24.140 ( 2.289 0.000 2.130) 3.127 ======================= 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 7.23e-05 7.23e-05 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| 2.085 ( -8.967 0.000 14.371) 16.939 2.471 ( -17.351 0.000 5.889) 18.324 3.007 ( 10.299 0.000 2.897) 10.698 3.071 ( -16.364 0.000 -9.557) 18.950 3.156 ( -8.225 0.000 5.132) 9.694 3.461 ( 9.758 0.000 -4.311) 10.668 4.118 ( -4.777 0.000 11.066) 12.053 4.133 ( 7.818 0.000 7.621) 10.918 5.354 ( -3.859 0.000 3.256) 5.049 5.415 ( -3.747 0.000 -2.573) 4.546 5.517 ( 0.844 0.000 6.973) 7.024 5.603 ( 2.345 0.000 -0.542) 2.407 6.967 ( -3.173 0.000 -13.578) 13.944 7.150 ( 0.382 0.000 7.360) 7.370 7.583 ( -10.667 0.000 3.657) 11.276 7.898 ( 5.279 0.000 -1.176) 5.409 8.640 ( 0.792 0.000 27.512) 27.523 9.330 ( -9.460 0.000 -27.678) 29.250 9.494 ( -13.150 0.000 9.471) 16.205 10.598 ( 3.144 0.000 -3.628) 4.801 10.652 ( -8.311 0.000 18.819) 20.572 11.394 ( -6.359 0.000 8.059) 10.266 11.639 ( -4.194 0.000 13.382) 14.024 12.188 ( -8.304 0.000 -30.978) 32.071 13.972 ( 3.327 0.000 6.971) 7.724 14.647 ( 15.111 0.000 -6.969) 16.641 15.229 ( -6.674 0.000 -9.801) 11.858 15.301 ( 1.675 0.000 10.930) 11.057 17.608 ( -0.212 0.000 -15.415) 15.416 18.866 ( 24.379 0.000 5.371) 24.964 19.295 ( 13.014 0.000 5.307) 14.055 19.504 ( 17.707 0.000 0.291) 17.709 21.399 ( -28.921 0.000 -32.020) 43.147 22.031 ( 8.611 0.000 27.450) 28.769 23.888 ( -9.026 0.000 -4.034) 9.886 24.165 ( -0.209 0.000 1.522) 1.537 ======================= 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 7.23e-05 7.23e-05 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| 2.011 ( -3.402 0.000 21.967) 22.229 2.139 ( -17.392 0.000 11.740) 20.983 2.757 ( -11.800 0.000 -8.922) 14.793 3.031 ( -4.856 0.000 -1.384) 5.050 3.245 ( 12.395 0.000 5.447) 13.539 3.641 ( 9.181 0.000 -6.907) 11.488 4.041 ( -5.814 0.000 20.357) 21.171 4.250 ( 2.055 0.000 9.355) 9.578 5.233 ( -8.221 0.000 1.092) 8.293 5.315 ( -5.441 0.000 -4.118) 6.824 5.566 ( 2.302 0.000 7.070) 7.435 5.667 ( 3.540 0.000 0.576) 3.587 6.888 ( -1.308 0.000 -16.334) 16.387 6.973 ( -18.976 0.000 1.627) 19.045 7.464 ( -1.949 0.000 12.479) 12.631 8.021 ( 7.671 0.000 -5.186) 9.259 8.677 ( -5.274 0.000 25.299) 25.843 9.046 ( -12.550 0.000 -23.437) 26.586 9.344 ( -2.451 0.000 12.835) 13.067 10.539 ( -5.828 0.000 11.560) 12.946 10.612 ( -0.793 0.000 -1.125) 1.376 11.226 ( -11.669 0.000 1.778) 11.804 11.643 ( 1.002 0.000 13.055) 13.093 12.022 ( -1.581 0.000 -25.027) 25.077 14.065 ( 4.214 0.000 7.621) 8.708 14.921 ( 13.699 0.000 -5.383) 14.719 15.066 ( -6.969 0.000 -12.707) 14.493 15.329 ( -1.190 0.000 9.204) 9.280 17.694 ( 11.949 0.000 -13.950) 18.368 19.267 ( 12.072 0.000 0.363) 12.077 19.562 ( 12.186 0.000 3.554) 12.694 19.910 ( 18.031 0.000 2.093) 18.152 20.793 ( -18.336 0.000 -21.976) 28.621 22.166 ( -1.916 0.000 24.076) 24.152 23.726 ( -5.746 0.000 -1.923) 6.059 24.140 ( -2.353 0.000 -0.303) 2.373 ======================= 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 7.23e-05 7.23e-05 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| 1.874 ( -11.753 0.000 15.783) 19.679 1.994 ( -4.337 0.000 20.567) 21.019 2.628 ( 1.427 0.000 -6.857) 7.004 2.957 ( -1.805 0.000 -6.620) 6.862 3.496 ( 10.982 0.000 4.862) 12.011 3.769 ( 4.416 0.000 -6.618) 7.956 4.023 ( 0.021 0.000 26.609) 26.609 4.274 ( -1.097 0.000 11.808) 11.859 5.061 ( -8.871 0.000 0.357) 8.878 5.186 ( -6.749 0.000 -3.124) 7.437 5.633 ( 2.952 0.000 4.575) 5.444 5.734 ( 3.156 0.000 0.293) 3.169 6.565 ( -20.328 0.000 7.938) 21.823 6.847 ( 1.259 0.000 -17.562) 17.607 7.490 ( 0.368 0.000 15.235) 15.240 8.146 ( 4.846 0.000 -8.763) 10.014 8.522 ( -13.586 0.000 17.246) 21.955 8.790 ( -6.109 0.000 -18.182) 19.181 9.488 ( 11.846 0.000 19.430) 22.757 10.492 ( -0.918 0.000 6.634) 6.697 10.578 ( -2.097 0.000 -1.410) 2.527 10.959 ( -13.934 0.000 -8.466) 16.305 11.711 ( 2.776 0.000 7.852) 8.328 12.008 ( 4.435 0.000 -16.629) 17.210 14.168 ( 4.338 0.000 8.372) 9.429 14.897 ( -6.723 0.000 -12.033) 13.784 15.162 ( 11.575 0.000 -6.654) 13.352 15.298 ( -3.656 0.000 6.771) 7.695 17.997 ( 20.929 0.000 -9.860) 23.135 19.115 ( -30.770 0.000 -7.091) 31.577 19.767 ( 7.465 0.000 2.033) 7.736 19.926 ( -3.445 0.000 -3.458) 4.881 21.072 ( 39.776 0.000 -1.379) 39.800 22.028 ( -17.182 0.000 17.252) 24.348 23.685 ( 1.757 0.000 1.816) 2.527 24.073 ( -4.090 0.000 -2.789) 4.951 ======================= 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 7.23e-05 7.23e-05 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| 1.920 ( -0.046 12.611 15.809) 20.223 2.082 ( -1.817 10.481 12.985) 16.786 2.774 ( 6.736 3.049 -3.226) 8.067 3.018 ( 2.547 7.535 -11.786) 14.219 3.610 ( 2.868 -3.217 2.541) 5.003 3.760 ( -4.156 -0.039 -2.034) 4.628 4.185 ( 9.864 1.043 23.034) 25.079 4.361 ( 3.090 3.392 15.380) 16.050 4.858 ( -8.487 -3.447 -3.047) 9.653 5.038 ( -6.891 -0.016 -1.026) 6.967 5.672 ( 0.929 -2.265 2.135) 3.248 5.792 ( 3.373 -0.260 -3.477) 4.851 6.316 ( -8.900 3.438 15.383) 18.101 6.951 ( 4.891 7.551 -16.712) 18.980 7.668 ( 1.131 11.918 17.982) 21.603 8.152 ( -6.059 5.809 -3.381) 9.050 8.442 ( -11.505 12.601 5.941) 18.068 8.834 ( 11.298 1.565 -11.675) 16.322 9.804 ( 13.521 -1.676 21.321) 25.303 10.365 ( -3.556 -5.117 -5.301) 8.181 10.649 ( 1.654 -0.772 -0.865) 2.020 10.844 ( -3.991 15.947 -11.447) 20.032 11.785 ( 0.918 2.942 2.993) 4.297 12.148 ( 6.587 4.514 -13.221) 15.445 14.231 ( 4.913 -4.714 9.422) 11.625 14.720 ( -6.259 -2.658 -14.063) 15.621 15.165 ( -5.066 -4.765 2.666) 7.448 15.294 ( 8.162 -5.263 -4.309) 10.625 18.048 ( -25.177 -19.315 10.428) 33.402 18.413 ( 7.170 -5.856 -9.146) 13.014 19.816 ( -0.913 -2.932 1.872) 3.596 19.903 ( 1.430 -0.521 -2.451) 2.884 21.576 ( -27.643 -0.592 8.777) 29.008 21.853 ( 38.522 -5.690 -5.338) 39.304 23.913 ( 7.324 10.352 1.668) 12.790 24.035 ( -5.530 6.161 -4.048) 9.216 ======================= 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 7.23e-05 7.23e-05 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| 1.994 ( 4.194 9.210 15.346) 18.383 2.189 ( 9.292 11.215 9.012) 17.126 2.882 ( 3.909 0.943 -7.853) 8.823 3.074 ( 6.721 7.150 -12.357) 15.779 3.598 ( -3.683 -3.346 0.967) 5.069 3.639 ( -7.110 -1.708 -2.385) 7.692 4.445 ( 8.917 2.919 27.574) 29.126 4.490 ( 4.614 4.688 4.539) 7.992 4.697 ( -4.044 -5.125 -1.662) 6.737 4.900 ( -7.231 -0.523 2.852) 7.791 5.686 ( 0.322 -3.294 0.244) 3.318 5.848 ( 2.813 0.957 -4.133) 5.090 6.275 ( 0.363 3.820 14.508) 15.007 7.048 ( 8.370 6.077 -13.299) 16.848 7.717 ( -1.112 12.139 19.361) 22.878 8.019 ( -5.860 9.183 -3.329) 11.391 8.278 ( -5.429 11.636 8.211) 15.241 9.119 ( 18.583 0.172 -10.427) 21.309 9.994 ( -3.235 -7.301 10.382) 13.097 10.248 ( -0.519 -4.570 -2.368) 5.173 10.761 ( 5.720 12.451 -1.914) 13.835 10.899 ( 14.011 9.686 -9.504) 19.505 11.749 ( -4.499 1.426 -1.851) 5.070 12.292 ( 10.887 4.277 -14.308) 18.481 14.344 ( 3.706 -6.264 8.579) 11.250 14.567 ( -6.090 -3.388 -12.851) 14.619 15.040 ( -7.482 -3.375 0.885) 8.255 15.431 ( 6.354 -5.424 -3.807) 9.180 17.411 ( -30.481 -7.821 17.225) 35.874 18.826 ( 24.532 -14.486 0.929) 28.505 19.711 ( -9.092 -4.830 -0.033) 10.295 19.886 ( -3.350 0.971 -0.940) 3.612 20.983 ( -32.046 4.134 4.426) 32.614 22.535 ( 30.907 -10.153 -12.030) 34.685 23.897 ( -7.198 5.827 -4.800) 10.431 24.066 ( 7.439 9.151 0.867) 11.825 ======================= 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 7.23e-05 7.23e-05 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| 2.164 ( 9.551 2.688 12.309) 15.810 2.439 ( 13.140 12.214 8.575) 19.884 2.876 ( -1.185 2.520 -15.150) 15.404 3.205 ( 5.974 2.773 -7.094) 9.680 3.487 ( -4.088 -5.651 -7.626) 10.334 3.516 ( -4.933 -0.219 -0.902) 5.020 4.378 ( -10.367 -3.469 -3.481) 11.473 4.605 ( -3.206 4.894 15.511) 16.577 4.773 ( 4.958 4.129 5.508) 8.483 4.885 ( 9.390 -5.138 14.111) 17.711 5.687 ( -0.251 -2.232 -0.714) 2.356 5.875 ( 0.784 3.163 -3.863) 5.054 6.359 ( 4.417 2.465 11.903) 12.933 7.208 ( 9.655 4.259 -8.091) 13.297 7.689 ( -5.296 8.035 13.775) 16.803 7.929 ( -3.003 14.074 1.457) 14.464 8.276 ( 2.023 11.949 14.183) 18.655 9.482 ( 19.611 -2.290 -9.277) 21.815 9.793 ( -11.126 -11.498 -11.007) 19.420 10.349 ( 5.025 1.554 15.574) 16.438 10.859 ( 6.528 14.400 -6.681) 17.164 11.223 ( 14.298 7.734 -3.056) 16.541 11.639 ( -2.943 0.242 -4.902) 5.723 12.492 ( 12.673 5.631 -18.705) 23.285 14.336 ( -5.995 -7.925 -6.649) 11.956 14.444 ( -6.290 -5.809 4.924) 9.877 14.918 ( -3.137 0.242 1.230) 3.378 15.522 ( 3.660 -5.297 -3.703) 7.427 17.033 ( -11.366 -2.631 18.424) 21.807 19.237 ( 11.924 -14.634 1.009) 18.904 19.469 ( -14.637 -8.873 -2.320) 17.273 19.805 ( -2.945 -0.131 3.287) 4.415 20.416 ( -23.233 11.562 5.740) 26.578 22.978 ( 16.485 -9.104 -19.341) 26.995 23.756 ( -4.930 2.915 -1.990) 6.063 24.196 ( 5.489 6.482 -0.815) 8.533 ======================= 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 7.23e-05 7.23e-05 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| 2.407 ( 12.188 -1.579 8.376) 14.873 2.724 ( 13.229 10.062 8.958) 18.881 2.796 ( -2.337 2.778 -16.839) 17.226 3.138 ( -9.514 0.157 -3.836) 10.260 3.407 ( -4.760 -1.502 -2.571) 5.615 3.567 ( 11.475 -4.701 -11.913) 17.196 4.150 ( -12.022 -6.571 -0.373) 13.706 4.438 ( -12.134 2.093 2.466) 12.558 4.958 ( 8.782 1.864 15.810) 18.182 5.136 ( 11.231 1.739 10.321) 15.352 5.670 ( -1.330 -0.362 -1.108) 1.768 5.860 ( -1.552 4.544 -3.673) 6.046 6.492 ( 6.411 2.075 11.653) 13.461 7.357 ( 5.646 4.322 -4.577) 8.456 7.612 ( -4.035 3.315 10.844) 12.036 7.896 ( -1.279 15.272 4.302) 15.918 8.386 ( 4.378 12.615 19.290) 23.461 9.568 ( -6.565 -16.515 -17.063) 24.638 9.836 ( 15.896 -0.943 -4.617) 16.580 10.465 ( 2.941 7.399 11.736) 14.182 11.005 ( 9.909 11.817 -5.997) 16.547 11.234 ( -9.965 2.451 5.647) 11.713 11.769 ( 13.285 5.758 -5.853) 15.618 12.686 ( 11.438 6.013 -25.291) 28.401 14.167 ( -7.611 -6.995 -8.735) 13.534 14.257 ( -13.460 -6.611 11.132) 18.676 14.941 ( 3.216 0.598 4.670) 5.701 15.554 ( 0.501 -5.195 -4.413) 6.835 17.039 ( 7.640 -0.318 12.651) 14.783 19.081 ( -19.941 -0.991 -5.869) 20.810 19.246 ( -9.786 -13.871 -2.368) 17.140 19.677 ( -14.351 5.395 -1.431) 15.399 20.355 ( 14.558 2.066 20.794) 25.467 23.050 ( -3.497 -3.669 -25.813) 26.306 23.758 ( 5.131 -3.136 2.118) 6.375 24.272 ( 2.457 3.506 -2.462) 4.939 ======================= 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 7.23e-05 7.23e-05 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| 2.658 ( 10.582 -3.083 3.381) 11.528 2.721 ( -1.038 0.752 -13.507) 13.568 2.884 ( -8.766 -0.338 -0.630) 8.795 3.015 ( 7.693 9.083 2.149) 12.096 3.321 ( -2.781 -3.410 1.539) 4.662 3.786 ( 11.528 -7.073 -9.940) 16.785 3.917 ( -10.541 -5.836 2.287) 12.264 4.175 ( -14.509 0.457 -0.508) 14.525 5.155 ( 7.480 2.470 12.929) 15.139 5.349 ( 7.798 4.620 8.263) 12.265 5.632 ( -2.161 1.321 -0.989) 2.720 5.798 ( -3.729 5.057 -3.110) 7.011 6.668 ( 8.668 2.444 12.195) 15.160 7.362 ( -3.432 5.212 -5.496) 8.316 7.623 ( 1.870 0.717 12.489) 12.648 7.890 ( -0.434 12.855 4.602) 13.661 8.511 ( 3.198 12.050 20.790) 24.241 9.447 ( -1.820 -17.930 -17.789) 25.323 10.079 ( 8.347 -1.438 0.129) 8.471 10.495 ( -0.857 11.611 -4.208) 12.379 11.026 ( -10.403 2.232 15.442) 18.752 11.228 ( 11.626 10.454 0.061) 15.635 11.956 ( 5.052 6.793 -1.966) 8.691 12.791 ( 4.595 4.739 -31.345) 32.032 14.025 ( -10.864 -5.635 10.390) 16.054 14.050 ( -2.031 -6.127 -4.136) 7.666 15.023 ( 3.351 -0.544 7.750) 8.461 15.523 ( -2.361 -4.792 -5.577) 7.723 17.352 ( 20.760 0.937 6.693) 21.832 18.633 ( -22.949 -0.350 -8.747) 24.562 19.063 ( -6.604 -3.449 0.648) 7.479 19.377 ( -13.279 5.806 -3.381) 14.882 20.802 ( 21.871 -4.466 25.795) 34.113 22.803 ( -13.833 -3.250 -27.489) 30.944 23.902 ( 7.550 -4.049 2.073) 8.814 24.278 ( -1.119 1.247 -3.904) 4.249 ======================= 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 7.23e-05 7.23e-05 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| 2.578 ( -13.397 0.111 -0.779) 13.420 2.714 ( 2.500 -0.578 -8.688) 9.059 2.904 ( 4.490 -1.974 1.384) 5.096 3.076 ( 1.128 3.862 -6.979) 8.056 3.349 ( -0.070 -5.602 15.231) 16.228 3.754 ( -1.164 -4.283 0.692) 4.492 3.868 ( -16.154 1.362 -2.131) 16.350 4.004 ( 9.506 -5.061 -5.271) 11.990 5.300 ( 4.346 2.960 10.333) 11.594 5.463 ( 1.399 4.370 6.000) 7.553 5.590 ( -1.408 2.931 0.491) 3.289 5.717 ( -3.062 5.331 -2.886) 6.791 6.880 ( 9.641 3.279 12.097) 15.813 7.249 ( -5.670 4.735 -7.450) 10.492 7.692 ( 1.580 -0.070 11.426) 11.535 7.897 ( 0.099 10.064 3.674) 10.714 8.595 ( 0.659 9.580 19.739) 21.951 9.394 ( -0.259 -16.785 -16.800) 23.750 10.104 ( -7.469 0.739 4.159) 8.581 10.479 ( 3.851 9.477 -15.771) 18.798 10.903 ( -7.382 5.578 25.719) 27.333 11.443 ( 8.881 9.909 1.763) 13.423 11.952 ( -4.886 6.758 3.513) 9.049 12.706 ( -5.492 2.771 -31.635) 32.227 13.883 ( -5.315 -5.531 8.839) 11.703 14.110 ( 8.367 -5.016 -4.339) 10.677 15.108 ( 3.360 -1.383 9.652) 10.314 15.444 ( -4.086 -4.002 -6.628) 8.754 17.840 ( 26.155 1.739 3.926) 26.506 18.170 ( -20.594 1.398 -11.910) 23.831 19.001 ( -1.551 3.105 4.784) 5.911 19.199 ( -1.830 0.617 -4.117) 4.547 21.281 ( 19.956 -4.569 27.815) 34.536 22.407 ( -19.480 -5.679 -29.596) 35.884 24.041 ( 5.793 -2.287 2.393) 6.672 24.210 ( -4.623 0.244 -5.062) 6.860 ======================= 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 7.23e-05 7.23e-05 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| 2.316 ( -12.721 2.041 5.092) 13.854 2.734 ( -6.617 -0.838 -0.137) 6.672 2.843 ( 0.829 -1.293 -0.810) 1.736 3.203 ( 7.258 -1.289 -3.481) 8.152 3.284 ( -5.361 -2.123 5.963) 8.295 3.542 ( -15.447 3.808 -2.403) 16.090 3.872 ( 9.274 -4.550 2.562) 10.644 4.140 ( 4.405 -1.426 2.727) 5.373 5.362 ( -0.584 -0.304 7.791) 7.818 5.437 ( -3.208 1.413 2.645) 4.392 5.577 ( -1.066 5.409 2.214) 5.941 5.686 ( 0.321 6.331 -1.652) 6.551 7.082 ( 7.419 4.068 10.796) 13.716 7.123 ( -4.658 4.497 -10.609) 12.428 7.705 ( -3.624 -1.262 8.550) 9.372 7.917 ( 1.822 8.639 1.703) 8.991 8.639 ( 0.002 6.471 19.116) 20.182 9.332 ( -3.001 -12.886 -14.072) 19.315 9.877 ( -13.806 5.629 0.197) 14.911 10.551 ( 4.284 3.965 -6.569) 8.787 10.817 ( -7.148 5.509 20.845) 22.715 11.545 ( -0.009 8.543 2.030) 8.781 11.837 ( -6.550 9.711 11.400) 16.345 12.470 ( -10.169 2.097 -29.270) 31.057 13.853 ( 0.161 -5.980 7.096) 9.282 14.324 ( 13.714 -4.635 -6.441) 15.844 15.196 ( 2.934 -2.444 10.270) 10.957 15.338 ( -4.915 -2.952 -7.439) 9.392 17.793 ( -13.147 1.730 -14.407) 19.581 18.374 ( 25.894 2.171 3.712) 26.248 19.005 ( 2.421 -4.222 4.058) 6.337 19.316 ( 12.441 5.339 -0.401) 13.544 21.696 ( 14.575 -3.335 27.215) 31.052 21.907 ( -23.356 -7.658 -30.016) 38.796 24.076 ( -6.934 0.158 -5.201) 8.669 24.140 ( 3.123 0.172 1.961) 3.691 ======================= 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 7.23e-05 7.23e-05 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| 2.127 ( -8.152 3.907 13.882) 16.566 2.486 ( -14.926 1.599 7.283) 16.684 2.988 ( 10.033 -1.632 2.742) 10.528 3.130 ( -9.078 3.275 -4.681) 10.726 3.164 ( -11.017 2.570 -1.084) 11.365 3.472 ( 8.693 0.839 -3.851) 9.544 4.024 ( 3.799 -5.359 3.386) 7.391 4.207 ( 1.596 3.020 12.869) 13.314 5.309 ( -4.986 -7.123 0.805) 8.731 5.382 ( -3.817 2.268 3.502) 5.654 5.566 ( 0.033 5.397 1.591) 5.627 5.700 ( 0.782 5.958 1.109) 6.111 7.019 ( -2.818 4.812 -13.699) 14.790 7.177 ( -2.408 1.630 5.767) 6.459 7.587 ( -7.800 1.053 8.916) 11.893 7.989 ( 5.134 8.518 0.312) 9.951 8.707 ( 2.192 5.981 20.543) 21.508 9.204 ( -6.858 -8.459 -11.474) 15.819 9.599 ( -13.965 7.122 -0.646) 15.690 10.560 ( -4.632 0.561 10.098) 11.124 10.739 ( -2.523 3.849 2.582) 5.277 11.465 ( -7.112 4.332 4.314) 9.379 11.767 ( -4.756 13.856 14.234) 20.426 12.221 ( -7.242 3.375 -27.423) 28.563 13.908 ( 3.425 -6.158 6.911) 9.871 14.595 ( 14.888 -5.040 -7.571) 17.446 15.199 ( -5.833 -3.029 -6.440) 9.202 15.275 ( 0.945 -2.300 7.506) 7.907 17.607 ( -1.936 0.105 -15.000) 15.124 18.870 ( 23.597 -0.174 4.694) 24.060 19.136 ( 8.979 -10.713 2.798) 14.255 19.627 ( 17.895 7.635 1.644) 19.525 21.303 ( -27.934 -7.928 -29.038) 41.065 22.021 ( 9.123 -1.356 26.717) 28.265 23.916 ( -7.305 2.044 -5.371) 9.295 24.185 ( 0.853 2.013 1.579) 2.697 ======================= 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 7.23e-05 7.23e-05 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| 2.041 ( -6.014 4.254 18.585) 19.992 2.249 ( -10.036 8.427 14.587) 19.609 2.851 ( -11.919 8.386 -8.207) 16.725 3.057 ( -3.131 2.444 -2.535) 4.712 3.224 ( 12.152 -1.734 5.035) 13.267 3.646 ( 9.166 0.247 -6.103) 11.015 4.031 ( -3.518 -0.721 13.179) 13.659 4.273 ( 1.207 1.866 14.533) 14.702 5.186 ( -7.332 -5.740 -1.039) 9.369 5.292 ( -5.424 -0.392 -0.621) 5.473 5.590 ( 1.675 3.036 3.505) 4.931 5.718 ( 0.878 3.474 0.905) 3.696 6.935 ( -12.776 0.338 -0.749) 12.803 6.963 ( -7.124 3.051 -11.793) 14.111 7.548 ( 0.295 7.860 13.856) 15.933 8.109 ( 6.843 8.349 -2.123) 11.002 8.751 ( -4.864 6.335 16.030) 17.910 9.044 ( -6.617 -0.644 -9.942) 11.961 9.372 ( -6.055 3.327 5.832) 9.041 10.461 ( -6.362 -0.632 13.126) 14.600 10.707 ( -1.219 1.502 -4.487) 4.886 11.302 ( -10.814 5.735 2.095) 12.419 11.706 ( -2.580 7.889 7.633) 11.276 12.096 ( -0.379 7.154 -18.783) 20.103 14.006 ( 4.557 -5.764 7.679) 10.629 14.863 ( 13.784 -5.822 -7.911) 16.925 15.047 ( -7.188 -1.758 -9.495) 12.038 15.293 ( -1.279 -3.303 7.659) 8.438 17.648 ( 8.993 -4.031 -12.549) 15.956 19.261 ( 2.500 -6.596 -2.218) 7.394 19.341 ( 19.482 -11.981 4.361) 23.283 19.944 ( 8.657 0.696 -1.377) 8.793 20.795 ( -9.407 1.144 -16.063) 18.650 22.155 ( -2.190 -1.203 22.755) 22.891 23.794 ( -3.174 5.443 -3.455) 7.186 24.181 ( -1.419 3.866 0.032) 4.118 ======================= 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 7.23e-05 7.23e-05 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| 1.944 ( -6.055 7.894 15.518) 18.434 2.150 ( -6.461 12.227 19.103) 23.584 2.702 ( -0.424 6.621 -5.747) 8.777 3.014 ( -0.067 5.227 -7.427) 9.082 3.465 ( 10.321 -2.388 4.471) 11.498 3.780 ( 4.504 1.090 -7.536) 8.847 4.017 ( 0.210 -0.009 23.330) 23.331 4.309 ( -0.498 2.332 15.531) 15.713 5.026 ( -8.313 -3.595 -0.947) 9.106 5.173 ( -6.205 -0.877 -2.735) 6.837 5.637 ( 1.872 0.232 3.873) 4.308 5.744 ( 1.974 0.743 -1.497) 2.586 6.564 ( -18.609 0.126 10.762) 21.497 6.927 ( 1.810 7.368 -17.840) 19.386 7.604 ( 1.404 10.320 15.471) 18.650 8.212 ( 2.419 6.546 -3.588) 7.847 8.620 ( -8.044 7.742 7.832) 13.637 8.839 ( -9.154 5.033 -11.070) 15.221 9.486 ( 12.019 -0.120 16.948) 20.777 10.398 ( -2.452 -1.435 7.868) 8.365 10.669 ( -1.327 -1.255 -4.937) 5.264 11.053 ( -12.761 10.089 -7.005) 17.712 11.727 ( 2.542 3.269 5.823) 7.146 12.089 ( 2.874 7.256 -13.598) 15.679 14.116 ( 4.676 -5.030 8.678) 11.066 14.880 ( -6.794 -2.083 -13.159) 14.955 15.096 ( 10.900 -6.030 -4.991) 13.420 15.260 ( -3.347 -3.605 5.199) 7.157 17.886 ( 16.591 -10.125 -6.734) 20.570 18.956 ( -31.132 -15.435 -8.343) 35.736 19.687 ( 12.829 -4.706 1.452) 13.741 19.913 ( -2.630 -1.606 -2.651) 4.064 21.099 ( 33.903 2.497 -0.783) 34.004 22.010 ( -16.970 -1.694 15.416) 22.989 23.795 ( 3.595 9.062 0.020) 9.749 24.131 ( -3.460 5.355 -2.047) 6.696 ======================= 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 7.23e-05 7.23e-05 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| 2.234 ( 0.945 16.256 13.198) 20.960 2.362 ( -2.301 15.454 12.555) 20.043 2.865 ( 3.264 5.248 -0.702) 6.220 3.162 ( 2.284 4.624 -10.250) 11.474 3.571 ( 2.042 0.707 2.893) 3.611 3.806 ( -5.116 4.625 -6.099) 9.207 4.199 ( 12.070 -0.421 18.918) 22.444 4.416 ( 2.971 2.391 21.548) 21.883 4.760 ( -8.730 -5.705 -5.911) 11.987 5.042 ( -5.463 0.342 -3.371) 6.429 5.598 ( -0.861 -5.062 3.008) 5.951 5.781 ( 3.261 -0.838 -6.889) 7.667 6.419 ( -6.744 6.122 19.149) 21.205 7.158 ( 3.993 11.695 -17.813) 21.680 7.960 ( 1.773 14.391 17.225) 22.515 8.364 ( -2.694 14.539 1.274) 14.841 8.740 ( -12.883 13.681 1.553) 18.856 8.879 ( 11.250 3.878 -4.703) 12.795 9.770 ( 11.954 -1.460 13.120) 17.809 10.232 ( -11.073 -8.413 -9.675) 16.941 10.693 ( 10.378 5.872 9.430) 15.202 11.114 ( -1.360 7.327 -11.267) 13.508 11.960 ( -0.966 15.592 1.238) 15.671 12.283 ( 4.299 8.642 -11.344) 14.895 14.082 ( 4.521 -9.679 10.412) 14.917 14.610 ( -7.399 -8.835 -14.375) 18.424 15.040 ( -1.243 -7.060 -0.661) 7.199 15.152 ( 4.907 -7.312 -3.001) 9.303 17.594 ( -16.214 -22.559 17.192) 32.671 18.217 ( 1.387 -11.916 -16.336) 20.268 19.752 ( -1.603 -2.905 2.490) 4.148 19.886 ( 3.049 -1.031 -4.389) 5.443 21.568 ( -22.429 -0.084 6.606) 23.381 21.737 ( 28.708 -4.849 -1.994) 29.183 24.124 ( 6.303 8.750 0.124) 10.784 24.199 ( -4.315 8.821 -3.163) 10.317 ======================= 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 7.23e-05 7.23e-05 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| 2.242 ( -0.938 13.703 12.068) 18.283 2.472 ( 8.775 15.040 10.800) 20.490 2.943 ( 3.789 4.034 -1.940) 5.865 3.182 ( 2.757 2.157 -12.434) 12.917 3.543 ( -5.049 -0.190 1.023) 5.155 3.656 ( -7.730 3.296 -3.184) 8.986 4.508 ( 12.289 -4.601 15.053) 19.969 4.522 ( -7.704 -3.675 9.329) 12.645 4.584 ( 4.150 4.068 6.301) 8.572 4.916 ( -6.193 1.929 -4.278) 7.771 5.612 ( 1.595 -4.145 1.508) 4.690 5.849 ( 4.696 -0.869 -6.035) 7.697 6.387 ( -1.245 6.695 18.108) 19.346 7.217 ( 6.097 9.561 -15.133) 18.910 7.990 ( -3.431 13.034 14.359) 19.693 8.337 ( -0.679 20.507 3.037) 20.742 8.563 ( -4.501 14.004 3.713) 15.171 9.132 ( 14.666 1.716 -3.632) 15.206 9.840 ( -11.094 -8.130 -1.488) 13.834 10.129 ( 7.001 -4.952 3.395) 9.223 11.017 ( 19.585 9.770 7.180) 23.034 11.119 ( 4.704 9.371 -16.177) 19.278 11.855 ( -8.472 10.903 -2.578) 14.046 12.436 ( 12.255 9.692 -10.293) 18.710 14.164 ( 0.811 -10.822 9.283) 14.281 14.427 ( -7.994 -10.513 -11.219) 17.329 14.971 ( -3.572 -3.022 -2.040) 5.104 15.270 ( 6.228 -9.543 -3.232) 11.845 17.205 ( -20.840 -11.156 19.198) 30.453 18.445 ( 18.176 -20.197 -4.778) 27.589 19.640 ( -9.179 -2.151 -0.425) 9.437 19.882 ( -3.094 -1.051 -2.586) 4.167 21.085 ( -25.070 5.205 3.951) 25.908 22.306 ( 27.305 -10.836 -6.094) 30.002 24.043 ( -8.711 7.427 -3.648) 12.015 24.257 ( 5.138 8.255 -1.060) 9.781 ======================= 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 7.23e-05 7.23e-05 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| 2.298 ( 4.036 9.509 10.568) 14.778 2.688 ( 9.654 11.012 11.121) 18.389 2.964 ( -0.808 5.412 -7.965) 9.664 3.238 ( 5.502 -1.360 -10.929) 12.312 3.390 ( -8.641 -0.629 -4.624) 9.820 3.526 ( -4.924 1.120 -1.548) 5.282 4.260 ( -13.714 -8.865 -5.573) 17.255 4.627 ( -8.660 -6.509 7.425) 13.134 4.784 ( 9.555 4.316 17.202) 20.146 4.939 ( 12.411 7.018 4.378) 14.915 5.655 ( 2.142 -1.247 1.030) 2.684 5.919 ( 3.281 1.004 -4.874) 5.960 6.440 ( 2.679 5.319 15.416) 16.526 7.334 ( 8.566 7.467 -10.730) 15.629 7.886 ( -8.626 10.762 9.210) 16.585 8.323 ( -2.436 21.806 5.351) 22.585 8.589 ( 4.537 16.718 8.827) 19.442 9.376 ( 3.861 -8.810 -5.228) 10.948 9.611 ( -1.472 -4.292 -5.264) 6.949 10.330 ( 9.803 -1.685 8.524) 13.099 11.189 ( 5.523 9.899 -16.229) 19.796 11.432 ( 15.678 14.674 7.916) 22.886 11.682 ( -3.538 6.064 -7.486) 10.263 12.671 ( 13.396 11.384 -12.774) 21.731 14.121 ( -6.202 -12.376 -2.538) 14.074 14.253 ( -8.690 -12.227 2.516) 15.211 14.925 ( -0.345 0.092 -0.596) 0.694 15.364 ( 3.845 -9.606 -3.441) 10.905 16.970 ( -6.475 -3.059 18.559) 19.892 18.779 ( 13.589 -24.470 -0.662) 27.998 19.406 ( -13.753 -0.662 -3.254) 14.148 19.787 ( -4.480 -1.287 1.211) 4.816 20.649 ( -18.954 10.481 4.946) 22.217 22.747 ( 18.648 -12.034 -12.098) 25.277 23.842 ( -10.023 4.704 -2.501) 11.351 24.329 ( 2.432 5.679 -2.070) 6.516 ======================= 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 7.23e-05 7.23e-05 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| 2.440 ( 7.834 4.384 8.503) 12.365 2.829 ( -0.633 3.676 -1.504) 4.022 2.936 ( 2.407 5.384 -0.865) 5.961 3.194 ( -5.955 6.697 -6.381) 11.002 3.329 ( -0.174 -6.070 -5.616) 8.271 3.473 ( 2.958 -3.675 -6.788) 8.266 3.983 ( -12.874 -10.028 -2.456) 16.502 4.400 ( -13.208 -5.791 0.904) 14.450 5.018 ( 10.099 4.660 15.003) 18.676 5.226 ( 13.203 6.173 8.126) 16.687 5.690 ( 1.015 1.878 0.936) 2.331 5.944 ( 0.052 3.263 -3.535) 4.810 6.560 ( 6.177 4.604 13.496) 15.540 7.481 ( 7.111 7.222 -6.794) 12.202 7.738 ( -7.555 8.142 9.143) 14.386 8.268 ( -3.905 19.218 4.646) 20.154 8.717 ( 4.758 17.119 10.867) 20.828 9.211 ( -8.802 -16.070 -10.173) 20.957 9.836 ( 14.929 0.938 1.082) 14.998 10.525 ( 7.851 0.046 4.511) 9.055 11.194 ( -3.928 1.489 -6.206) 7.494 11.479 ( 0.780 23.401 0.394) 23.418 11.905 ( 16.043 6.931 -3.624) 17.848 12.876 ( 10.094 11.905 -18.298) 24.050 13.958 ( -7.396 -13.052 -7.621) 16.826 14.071 ( -11.386 -10.728 10.806) 19.014 14.950 ( 2.065 0.036 2.942) 3.594 15.402 ( 0.947 -9.098 -4.015) 9.989 17.042 ( 9.807 0.917 13.500) 16.711 18.899 ( -1.638 -15.726 -3.905) 16.286 19.096 ( -15.080 -0.873 -3.669) 15.544 19.730 ( -5.131 0.253 1.498) 5.351 20.443 ( -0.637 6.332 13.730) 15.133 22.923 ( 1.121 -8.288 -22.292) 23.809 23.708 ( -1.456 -1.564 3.865) 4.416 24.344 ( -0.265 3.108 -3.344) 4.573 ======================= 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 7.23e-05 7.23e-05 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| 2.621 ( 7.778 -0.620 3.515) 8.558 2.752 ( -3.586 2.535 -5.966) 7.408 2.882 ( -6.638 0.521 -4.962) 8.304 3.209 ( 5.633 6.104 4.498) 9.446 3.222 ( -7.536 -3.056 -4.455) 9.272 3.583 ( 6.313 -11.449 -9.109) 15.935 3.782 ( -5.401 -7.572 2.171) 9.551 4.138 ( -12.826 -3.999 -1.531) 13.522 5.237 ( 8.661 5.400 12.308) 15.990 5.464 ( 8.556 5.913 7.376) 12.751 5.696 ( -0.511 4.578 0.812) 4.678 5.907 ( -2.870 4.996 -2.331) 6.215 6.744 ( 9.337 4.955 12.634) 16.473 7.504 ( -3.884 7.948 -6.633) 11.057 7.688 ( 0.194 5.174 12.374) 13.414 8.201 ( -3.616 16.029 3.297) 16.760 8.789 ( 0.380 8.532 6.969) 11.023 9.096 ( -0.760 -9.989 -7.653) 12.607 10.074 ( 7.131 0.619 4.459) 8.433 10.632 ( 2.996 2.614 -8.008) 8.941 11.085 ( -5.515 3.227 14.351) 15.709 11.577 ( 8.130 21.109 -6.011) 23.406 12.119 ( 5.488 8.679 0.606) 10.287 12.943 ( 0.643 9.691 -23.993) 25.884 13.860 ( -0.777 -11.326 -2.339) 11.591 13.875 ( -9.334 -9.128 9.067) 15.896 15.005 ( 2.423 -1.155 5.696) 6.297 15.386 ( -1.458 -8.083 -4.650) 9.439 17.389 ( 21.912 2.690 7.566) 23.337 18.619 ( -20.253 -1.063 -7.755) 21.713 18.994 ( 2.777 -3.076 -1.049) 4.275 19.503 ( -15.792 5.792 -2.310) 16.979 20.695 ( 18.036 -5.141 23.659) 30.191 22.700 ( -15.640 -6.536 -27.448) 32.260 23.803 ( 7.885 -5.006 5.780) 10.984 24.304 ( -2.825 1.111 -4.822) 5.698 ======================= 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 7.23e-05 7.23e-05 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| 2.592 ( -11.193 1.175 -1.418) 11.344 2.695 ( 1.964 -0.871 -5.924) 6.301 2.887 ( 2.891 0.076 1.597) 3.304 3.054 ( -5.028 -6.190 0.805) 8.016 3.296 ( 0.419 0.985 1.944) 2.219 3.631 ( 4.023 -7.439 -4.605) 9.629 3.798 ( -2.266 -7.313 0.718) 7.690 3.936 ( -1.596 -1.522 -2.265) 3.161 5.398 ( 4.325 5.920 10.179) 12.544 5.552 ( -1.982 4.175 4.305) 6.316 5.698 ( 1.109 6.807 3.187) 7.598 5.843 ( -2.291 6.311 -2.276) 7.090 6.974 ( 10.648 5.704 11.973) 17.008 7.375 ( -6.329 6.841 -7.930) 12.236 7.717 ( -1.416 2.223 13.739) 13.989 8.149 ( -1.903 13.337 1.013) 13.510 8.786 ( -1.521 2.768 5.431) 6.282 9.104 ( 2.100 -5.459 -6.721) 8.909 10.111 ( -4.355 0.715 7.855) 9.010 10.642 ( 1.811 6.139 -13.751) 15.168 11.042 ( -4.451 7.253 21.552) 23.171 11.715 ( 5.513 13.961 -7.913) 16.968 12.150 ( -1.491 12.801 8.326) 15.343 12.799 ( -8.527 6.171 -23.423) 25.679 13.729 ( -6.073 -8.907 8.255) 13.578 13.962 ( 9.739 -9.046 -4.061) 13.898 15.068 ( 2.388 -2.418 7.038) 7.815 15.330 ( -2.884 -6.597 -5.153) 8.854 17.893 ( 26.313 3.359 3.558) 26.764 18.204 ( -18.091 1.666 -11.124) 21.303 19.089 ( -1.175 5.027 2.816) 5.881 19.220 ( -3.339 1.507 -2.797) 4.609 21.151 ( 20.915 -7.593 27.389) 35.288 22.251 ( -22.531 -8.895 -28.852) 37.673 23.981 ( 8.089 -3.253 4.600) 9.858 24.213 ( -4.949 -0.059 -6.479) 8.153 ======================= 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 7.23e-05 7.23e-05 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 ( -10.234 3.262 4.240) 11.548 2.720 ( -6.279 -0.112 4.011) 7.451 2.800 ( 1.324 -2.697 -0.158) 3.009 3.145 ( 5.427 -3.386 4.902) 8.059 3.271 ( 0.516 -0.166 -5.420) 5.447 3.608 ( -10.361 1.889 -6.284) 12.264 3.759 ( 7.626 -5.441 -0.350) 9.375 4.062 ( 8.246 -6.216 3.883) 11.032 5.383 ( -8.185 3.068 5.481) 10.317 5.507 ( -1.748 4.278 5.001) 6.809 5.715 ( -0.731 7.147 3.939) 8.193 5.820 ( 0.071 6.377 -2.164) 6.735 7.182 ( 6.212 4.881 9.269) 12.179 7.241 ( -4.580 6.480 -10.806) 13.406 7.680 ( -5.250 -0.985 14.961) 15.886 8.146 ( 1.831 12.621 0.419) 12.760 8.776 ( -0.011 3.953 6.390) 7.514 9.118 ( 0.036 -5.373 -5.944) 8.013 9.975 ( -10.407 4.321 7.346) 13.452 10.647 ( 0.714 5.091 -6.948) 8.643 10.965 ( -8.063 8.600 16.221) 20.052 11.689 ( -6.019 4.679 -6.699) 10.149 12.175 ( 1.286 21.596 14.092) 25.820 12.549 ( -10.592 5.740 -21.242) 24.421 13.677 ( -0.878 -10.703 6.586) 12.598 14.185 ( 13.345 -8.739 -6.396) 17.186 15.123 ( 1.152 -4.405 6.951) 8.310 15.257 ( -3.064 -4.594 -5.376) 7.706 17.845 ( -12.946 3.253 -13.964) 19.318 18.436 ( 24.982 3.648 0.988) 25.266 18.912 ( -7.082 -4.570 2.906) 8.915 19.438 ( 15.921 6.126 1.353) 17.113 21.602 ( 15.356 -5.572 25.602) 30.370 21.709 ( -22.925 -10.516 -25.847) 36.114 24.068 ( -4.743 -0.783 -5.283) 7.142 24.147 ( 4.688 0.225 0.792) 4.759 ======================= 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 7.23e-05 7.23e-05 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| 2.236 ( -5.331 6.445 12.571) 15.099 2.539 ( -9.822 3.350 10.266) 14.597 2.952 ( 10.039 -1.569 3.162) 10.642 3.156 ( -1.255 1.677 -1.387) 2.512 3.286 ( -6.419 6.089 -5.804) 10.581 3.479 ( 4.158 -0.501 -4.633) 6.246 3.903 ( 6.590 -6.016 -1.240) 9.009 4.221 ( 5.660 -2.694 10.577) 12.295 5.201 ( -9.852 -1.882 2.405) 10.314 5.445 ( -5.804 3.306 3.429) 7.509 5.699 ( -1.665 6.319 3.319) 7.329 5.811 ( -0.804 4.821 -1.653) 5.159 7.145 ( -1.702 5.603 -15.495) 16.565 7.172 ( -10.684 -1.263 7.749) 13.259 7.659 ( 1.200 5.965 16.497) 17.583 8.224 ( 5.434 13.266 2.088) 14.486 8.848 ( 5.864 5.452 8.025) 11.336 9.053 ( -5.770 -4.329 -3.866) 8.184 9.750 ( -13.448 7.095 3.584) 15.621 10.623 ( -3.327 4.034 5.962) 7.930 10.814 ( -8.712 5.327 3.812) 10.900 11.522 ( -8.732 1.376 0.307) 8.845 12.163 ( -7.547 20.124 3.513) 21.778 12.359 ( -2.168 12.200 -12.302) 17.461 13.719 ( 3.347 -12.014 6.480) 14.055 14.439 ( 13.791 -10.028 -8.443) 19.027 15.106 ( -4.224 -5.618 0.163) 7.030 15.215 ( -0.328 -3.351 0.168) 3.372 17.627 ( -5.744 2.185 -14.130) 15.408 18.766 ( 5.604 -11.688 2.653) 13.231 18.998 ( 16.927 -0.562 0.526) 16.945 19.758 ( 14.518 4.559 0.790) 15.238 21.142 ( -22.735 -6.188 -23.358) 33.178 21.968 ( 10.833 -3.569 26.177) 28.554 23.948 ( -4.251 0.799 -7.488) 8.647 24.241 ( 3.467 2.923 1.536) 4.788 ======================= 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 7.23e-05 7.23e-05 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| 2.203 ( -2.364 11.149 15.245) 19.035 2.422 ( -4.588 7.270 16.850) 18.916 3.064 ( -11.073 11.259 -6.271) 16.991 3.111 ( 1.899 0.533 -0.332) 2.000 3.219 ( 10.893 4.200 -1.225) 11.739 3.630 ( 9.307 -2.496 -2.477) 9.949 3.998 ( 2.688 -2.961 2.168) 4.549 4.318 ( 0.814 2.003 17.832) 17.962 5.035 ( -6.749 -6.801 -1.929) 9.774 5.309 ( -7.925 1.430 1.297) 8.157 5.664 ( -2.700 2.662 4.497) 5.882 5.784 ( -1.083 3.094 -3.870) 5.071 6.879 ( -18.061 -3.384 10.922) 21.376 7.114 ( 1.862 8.888 -17.609) 19.813 7.759 ( 3.968 11.586 15.990) 20.141 8.346 ( 5.592 13.725 2.503) 15.031 8.872 ( -9.028 2.333 -2.655) 9.696 9.037 ( 7.793 2.269 9.978) 12.862 9.487 ( -11.874 7.078 0.837) 13.849 10.550 ( -6.103 8.064 16.693) 19.518 10.661 ( -6.162 -3.880 -8.703) 11.347 11.366 ( -7.784 0.323 3.411) 8.504 11.989 ( -6.238 16.767 -7.929) 19.569 12.335 ( -0.623 16.728 -4.131) 17.242 13.825 ( 5.479 -11.675 7.503) 14.921 14.676 ( 11.903 -12.292 -11.397) 20.558 14.994 ( -5.932 -3.378 -2.583) 7.298 15.205 ( -1.494 -4.772 2.126) 5.433 17.557 ( 1.282 -3.910 -9.088) 9.976 18.815 ( -2.660 -25.212 -3.576) 25.603 19.344 ( 16.473 2.746 -0.537) 16.709 19.911 ( -0.220 -3.329 -4.450) 5.562 20.863 ( 2.658 5.175 -7.854) 9.773 22.115 ( -2.214 -2.584 20.125) 20.411 23.902 ( 1.583 4.272 -5.090) 6.831 24.285 ( 0.798 5.513 0.264) 5.576 ======================= 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 7.23e-05 7.23e-05 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| 2.194 ( -1.049 15.499 12.790) 20.122 2.407 ( -3.282 11.148 19.770) 22.933 2.875 ( -4.977 9.716 -5.034) 12.021 3.136 ( 2.159 4.678 -6.744) 8.487 3.444 ( 9.787 2.080 2.151) 10.234 3.805 ( 7.915 0.643 -6.512) 10.269 4.029 ( 0.337 0.519 14.484) 14.498 4.352 ( -0.903 2.457 21.097) 21.259 4.912 ( -5.832 -6.928 -4.409) 10.072 5.162 ( -6.593 -0.222 -1.246) 6.713 5.623 ( -2.299 -2.310 4.686) 5.708 5.761 ( 0.318 1.078 -6.541) 6.637 6.582 ( -14.039 1.717 16.331) 21.604 7.128 ( 3.424 11.405 -18.634) 22.114 7.869 ( 3.303 13.923 16.513) 21.850 8.412 ( -0.650 12.285 2.132) 12.486 8.752 ( 0.548 4.011 -3.716) 5.495 9.012 ( -12.722 11.051 2.810) 17.085 9.488 ( 11.248 0.445 9.489) 14.723 10.443 ( -8.327 1.494 0.408) 8.470 10.574 ( 0.132 -1.913 3.866) 4.316 11.219 ( -6.911 3.096 -2.874) 8.100 11.931 ( 1.382 16.509 -3.287) 16.890 12.298 ( -1.566 13.166 -7.474) 15.220 13.956 ( 5.692 -10.398 9.001) 14.884 14.763 ( -2.799 -10.900 -16.845) 20.258 14.956 ( 5.293 -5.839 0.835) 7.925 15.163 ( -2.834 -5.176 0.539) 5.926 17.621 ( 4.904 -14.173 1.251) 15.050 18.541 ( -21.154 -22.087 -13.572) 33.460 19.635 ( 12.212 -0.529 0.291) 12.227 19.863 ( -0.753 -2.979 -2.516) 3.971 21.166 ( 24.729 3.657 0.242) 24.999 21.966 ( -16.007 -2.376 11.903) 20.088 23.983 ( 6.735 7.968 -1.440) 10.532 24.272 ( -2.030 7.490 -1.301) 7.869 ======================= 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 7.23e-05 7.23e-05 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| 2.532 ( -1.577 11.302 14.333) 18.321 2.691 ( 1.905 15.800 11.533) 19.654 2.977 ( -0.789 5.422 -1.789) 5.763 3.188 ( 0.966 -0.842 -5.004) 5.166 3.624 ( -0.141 1.855 3.759) 4.194 3.926 ( -3.318 5.792 -8.765) 11.017 4.161 ( 11.239 -1.850 12.063) 16.591 4.489 ( 2.395 3.017 21.900) 22.237 4.655 ( -5.919 -1.879 -7.467) 9.712 5.042 ( -4.173 -0.691 -3.380) 5.415 5.461 ( -1.196 -7.936 5.008) 9.459 5.760 ( 1.868 -1.078 -9.642) 9.880 6.549 ( -4.652 5.940 22.363) 23.602 7.397 ( 2.596 10.445 -19.254) 22.058 8.222 ( 1.737 11.060 15.408) 19.046 8.680 ( 4.114 11.492 -4.669) 13.068 8.859 ( -3.944 3.135 11.338) 12.407 9.119 ( 0.581 15.571 0.744) 15.600 9.735 ( 11.162 -2.276 4.738) 12.338 10.042 ( -12.933 -9.145 -10.262) 18.874 10.855 ( 9.985 8.381 11.825) 17.600 11.152 ( 0.268 -1.770 -2.968) 3.466 12.386 ( -1.379 22.882 -3.945) 23.261 12.506 ( 1.308 12.719 -6.848) 14.504 13.846 ( 4.941 -12.301 8.543) 15.770 14.330 ( -6.640 -18.012 -14.353) 23.969 14.887 ( 1.669 -6.668 0.687) 6.908 15.038 ( 0.787 -3.633 -6.305) 7.320 17.183 ( -12.504 -16.102 19.801) 28.420 17.973 ( 0.634 -10.593 -22.091) 24.508 19.704 ( -1.585 -1.682 2.695) 3.550 19.865 ( 3.226 -0.926 -5.765) 6.670 21.573 ( -17.644 0.441 4.888) 18.314 21.661 ( 20.281 -2.598 0.410) 20.451 24.269 ( 5.545 5.409 0.826) 7.790 24.354 ( -3.660 5.578 -2.977) 7.306 ======================= 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 7.23e-05 7.23e-05 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| 2.516 ( -2.313 11.791 11.637) 16.727 2.780 ( 4.475 14.049 11.448) 18.667 3.011 ( 3.038 2.094 0.951) 3.811 3.175 ( -0.660 -1.123 -7.258) 7.374 3.580 ( -4.192 1.560 1.510) 4.721 3.768 ( -9.491 7.159 -5.558) 13.123 4.266 ( -6.944 -11.400 2.027) 13.501 4.527 ( 1.213 -1.813 -1.381) 2.582 4.699 ( 8.297 7.032 20.711) 23.393 4.963 ( -1.333 2.041 -4.056) 4.732 5.508 ( 4.481 -5.727 3.220) 7.953 5.819 ( 5.613 -1.802 -7.627) 9.640 6.531 ( -2.223 6.678 21.041) 22.187 7.411 ( 3.848 8.362 -17.540) 19.809 8.252 ( -3.593 12.334 12.310) 17.792 8.746 ( 3.793 8.641 -7.354) 11.964 8.779 ( -2.930 12.574 10.801) 16.833 9.243 ( 6.932 10.156 4.054) 12.948 9.671 ( -12.845 -7.101 -5.163) 15.558 10.051 ( 11.686 -3.537 1.714) 12.329 11.173 ( 17.127 5.341 2.630) 18.132 11.200 ( 7.437 -0.296 -3.835) 8.373 12.218 ( -9.503 22.169 -5.462) 24.731 12.679 ( 12.512 12.842 -4.572) 18.503 13.918 ( 0.014 -12.223 7.741) 14.468 14.138 ( -9.031 -16.840 -12.044) 22.587 14.900 ( 0.171 -4.360 -1.608) 4.650 15.084 ( 4.389 -7.015 -4.625) 9.480 16.987 ( -10.401 -9.108 21.517) 25.576 18.067 ( 11.730 -15.135 -12.574) 22.908 19.613 ( -7.863 -0.633 0.286) 7.894 19.854 ( -3.123 -1.502 -4.286) 5.511 21.184 ( -19.642 4.108 3.519) 20.373 22.115 ( 22.828 -7.307 -1.753) 24.033 24.179 ( -10.129 5.388 -3.424) 11.973 24.388 ( 3.247 4.362 -0.531) 5.464 ======================= 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 7.23e-05 7.23e-05 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| 2.518 ( 0.303 10.804 9.216) 14.204 2.891 ( 3.146 8.610 12.970) 15.882 3.053 ( -0.335 3.070 -1.416) 3.397 3.149 ( 0.840 -4.848 -7.144) 8.675 3.489 ( -4.367 4.384 -4.088) 7.416 3.567 ( -8.832 5.679 -5.199) 11.717 4.017 ( -14.728 -13.348 -4.668) 20.417 4.456 ( -8.982 -8.748 -2.575) 12.800 4.916 ( 8.655 6.852 18.457) 21.506 5.082 ( 12.398 6.181 3.738) 14.349 5.622 ( 5.800 -1.979 2.372) 6.571 5.919 ( 5.421 -0.810 -5.468) 7.742 6.565 ( 1.486 6.209 17.611) 18.733 7.488 ( 7.749 6.680 -14.791) 17.984 8.118 ( -10.911 11.206 9.082) 18.086 8.736 ( -4.698 16.153 6.501) 18.035 8.852 ( 5.698 3.775 -3.314) 7.596 9.214 ( -9.104 -1.809 -0.895) 9.325 9.620 ( 9.518 4.891 3.787) 11.352 10.292 ( 11.652 -2.404 2.126) 12.086 11.240 ( 0.911 -1.468 -7.649) 7.842 11.631 ( 23.142 4.231 -1.075) 23.550 12.054 ( -4.718 26.293 -3.995) 27.010 12.925 ( 12.939 11.628 -4.682) 18.015 13.843 ( -8.255 -14.110 -7.216) 17.870 13.966 ( -6.644 -14.380 4.050) 16.350 14.907 ( 0.957 -2.077 -0.543) 2.351 15.159 ( 3.833 -8.942 -4.128) 10.568 16.922 ( -0.245 -1.356 19.984) 20.031 18.322 ( 14.962 -18.505 -6.131) 24.574 19.401 ( -13.355 -0.033 -2.017) 13.507 19.759 ( -4.371 -1.324 -0.544) 4.599 20.838 ( -16.139 7.511 4.298) 18.313 22.518 ( 18.137 -9.437 -6.244) 21.378 23.928 ( -13.764 3.291 -3.645) 14.614 24.420 ( 0.227 3.090 -1.385) 3.394 ======================= 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 7.23e-05 7.23e-05 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| 2.566 ( 2.404 7.099 6.712) 10.062 2.927 ( -3.105 5.414 8.308) 10.391 2.990 ( -3.155 2.072 -6.386) 7.418 3.171 ( 0.935 -6.967 -4.412) 8.299 3.397 ( -4.555 -1.609 -7.739) 9.123 3.415 ( -4.130 8.616 -5.416) 10.983 3.739 ( -11.001 -12.418 0.013) 16.590 4.233 ( -11.359 -9.509 -4.325) 15.432 5.139 ( 9.994 6.241 14.508) 18.690 5.354 ( 12.426 5.478 7.201) 15.371 5.730 ( 4.424 1.802 2.016) 5.185 5.987 ( 2.187 0.915 -3.262) 4.033 6.677 ( 6.164 6.206 14.197) 16.675 7.631 ( 8.577 6.578 -10.876) 15.334 7.918 ( -10.547 8.612 8.647) 16.130 8.630 ( -6.826 14.592 4.644) 16.766 8.765 ( -10.878 -13.397 -5.877) 18.230 9.195 ( 5.714 14.395 0.258) 15.489 9.881 ( 13.065 3.564 7.804) 15.630 10.504 ( 9.463 -1.857 -1.363) 9.739 11.189 ( -4.042 -1.100 0.683) 4.244 11.938 ( 6.413 13.411 -16.065) 21.887 12.116 ( 12.425 19.251 7.286) 24.043 13.140 ( 9.109 12.088 -8.289) 17.257 13.637 ( -8.577 -17.332 -9.005) 21.332 13.843 ( -8.074 -10.623 9.374) 16.307 14.935 ( 1.627 -1.506 1.591) 2.729 15.206 ( 1.808 -8.932 -4.133) 10.006 17.082 ( 12.343 2.748 15.023) 19.636 18.584 ( 11.798 -13.639 -4.260) 18.530 19.087 ( -16.847 -0.292 -3.595) 17.229 19.715 ( -1.394 -1.232 2.526) 3.137 20.589 ( -9.166 6.879 9.150) 14.665 22.739 ( 4.309 -8.495 -16.626) 19.161 23.686 ( -7.675 -0.708 2.275) 8.036 24.395 ( -2.176 1.788 -3.018) 4.128 ======================= 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 7.23e-05 7.23e-05 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| 2.626 ( 1.847 0.986 1.988) 2.887 2.829 ( -6.319 4.718 -0.006) 7.886 2.917 ( -2.484 2.973 -7.022) 8.020 3.078 ( -9.837 -6.871 -0.729) 12.022 3.345 ( 3.833 -8.922 -9.695) 13.722 3.357 ( -2.838 0.538 -1.728) 3.366 3.638 ( -0.277 -3.678 5.453) 6.583 4.023 ( -8.501 -6.822 -4.901) 11.951 5.359 ( 8.781 5.731 11.953) 15.900 5.570 ( 7.090 3.956 6.787) 10.583 5.801 ( 2.352 5.026 1.784) 5.829 5.990 ( -1.070 2.873 -1.418) 3.378 6.868 ( 9.968 6.625 12.034) 16.973 7.665 ( -5.544 6.931 -6.611) 11.067 7.817 ( -0.756 6.971 9.662) 11.938 8.494 ( -6.178 8.323 -8.034) 13.115 8.593 ( -4.527 -13.183 6.494) 15.377 9.280 ( 2.062 15.448 -5.639) 16.574 10.097 ( 5.433 1.394 10.308) 11.735 10.654 ( 6.947 0.151 -8.103) 10.674 11.150 ( -0.835 2.873 14.438) 14.745 11.983 ( 2.534 15.388 -15.292) 21.842 12.345 ( 7.633 14.631 6.719) 17.818 13.155 ( -5.859 9.317 -15.656) 19.137 13.577 ( 5.097 -14.993 -1.144) 15.877 13.692 ( -9.042 -8.313 8.765) 15.090 14.975 ( 1.746 -1.788 2.992) 3.898 15.214 ( 0.002 -7.819 -4.140) 8.848 17.460 ( 22.629 3.889 8.213) 24.385 18.588 ( -15.225 -1.833 -5.931) 16.442 18.940 ( 9.168 -2.026 -2.319) 9.671 19.597 ( -12.823 3.007 -1.063) 13.214 20.616 ( 9.516 -2.162 20.651) 22.840 22.551 ( -16.695 -7.204 -26.295) 31.969 23.709 ( 7.329 -3.812 7.863) 11.405 24.322 ( -4.204 0.633 -5.232) 6.741 ======================= 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 7.23e-05 7.23e-05 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| 2.598 ( -6.883 -1.106 -0.655) 7.002 2.706 ( -1.492 1.869 -5.897) 6.364 2.873 ( -7.951 -2.818 2.989) 8.949 2.946 ( 3.701 -0.915 1.790) 4.212 3.292 ( -2.722 -2.690 -2.653) 4.656 3.451 ( 7.891 -9.538 -8.843) 15.213 3.692 ( 2.665 -1.402 5.975) 6.691 3.886 ( -3.705 -3.403 -4.489) 6.742 5.519 ( 4.140 5.215 9.653) 11.727 5.630 ( -2.564 3.107 4.643) 6.146 5.839 ( 1.043 6.189 3.002) 6.957 5.960 ( -1.138 4.641 -1.044) 4.891 7.106 ( 10.725 6.633 11.058) 16.772 7.506 ( -7.447 5.170 -7.130) 11.534 7.777 ( -6.625 3.685 12.566) 14.676 8.397 ( -1.482 8.804 -8.450) 12.292 8.607 ( 3.065 -11.937 10.011) 15.878 9.247 ( -2.490 11.226 -12.294) 16.834 10.141 ( -2.933 1.953 13.974) 14.411 10.742 ( 3.899 3.668 -11.102) 12.325 11.191 ( -0.742 6.788 20.654) 21.753 11.935 ( -4.737 7.090 -14.282) 16.634 12.488 ( 6.496 18.698 9.364) 21.897 12.937 ( -10.765 6.240 -14.086) 18.794 13.541 ( -7.725 -8.412 7.229) 13.517 13.747 ( 10.731 -11.371 -1.916) 15.752 15.012 ( 1.099 -2.914 3.465) 4.659 15.193 ( -0.942 -6.012 -4.301) 7.452 17.971 ( 26.177 3.835 2.460) 26.570 18.231 ( -15.484 0.780 -9.753) 18.316 19.194 ( 3.301 4.776 1.052) 5.901 19.260 ( -8.002 2.193 -1.636) 8.457 20.988 ( 20.295 -7.563 27.248) 34.807 22.067 ( -24.226 -8.115 -27.962) 37.877 23.917 ( 10.464 -2.704 6.556) 12.641 24.208 ( -5.661 -0.349 -7.805) 9.648 ======================= 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 7.23e-05 7.23e-05 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| 2.438 ( -6.831 2.906 4.024) 8.444 2.721 ( -6.179 -1.948 5.327) 8.387 2.768 ( 5.330 2.047 0.817) 5.768 3.073 ( 6.948 -3.856 3.337) 8.619 3.260 ( 0.957 -0.420 -5.164) 5.269 3.571 ( 3.976 -5.220 -10.344) 12.250 3.713 ( 0.571 0.889 0.175) 1.071 3.907 ( 5.936 -7.728 2.088) 9.967 5.474 ( -10.280 4.854 4.919) 12.387 5.589 ( -2.093 3.285 5.754) 6.948 5.842 ( -1.846 4.663 4.635) 6.829 5.942 ( -0.676 5.164 -2.731) 5.881 7.259 ( -1.335 2.364 7.812) 8.270 7.367 ( -4.268 4.851 -8.297) 10.516 7.686 ( -1.805 2.281 14.748) 15.032 8.396 ( 2.613 10.521 -2.049) 11.032 8.713 ( 4.591 -7.537 9.622) 13.057 9.167 ( -2.035 6.914 -12.619) 14.532 10.062 ( -8.394 3.854 14.412) 17.118 10.747 ( -0.801 4.202 -10.471) 11.311 11.165 ( -7.085 10.322 19.384) 23.076 11.747 ( -10.408 1.193 -9.223) 13.957 12.638 ( 1.933 19.361 6.064) 20.381 12.713 ( -4.984 11.693 -8.728) 15.419 13.435 ( -4.104 -11.685 5.545) 13.570 13.963 ( 11.581 -12.808 -4.133) 17.755 15.025 ( -0.846 -4.688 3.411) 5.859 15.164 ( -0.740 -3.972 -4.795) 6.271 17.919 ( -10.837 3.564 -13.250) 17.484 18.515 ( 24.452 3.596 -2.464) 24.838 18.824 ( -17.895 -3.672 2.892) 18.495 19.554 ( 16.159 4.716 1.607) 16.910 21.471 ( 20.496 -6.991 28.297) 35.633 21.519 ( -23.583 -6.742 -25.434) 35.335 24.053 ( -4.054 -0.482 -6.897) 8.015 24.141 ( 7.194 -0.770 1.373) 7.364 ======================= 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 7.23e-05 7.23e-05 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 ( -0.106 7.646 11.975) 14.208 2.612 ( -5.695 3.799 9.266) 11.521 2.929 ( 8.344 -0.695 4.480) 9.496 3.224 ( 8.641 2.415 -0.687) 8.999 3.316 ( 4.926 -2.006 -1.060) 5.423 3.504 ( -5.803 4.232 -9.058) 11.560 3.801 ( 6.874 -3.537 -5.220) 9.328 4.079 ( 9.821 -10.399 5.609) 15.364 5.240 ( -13.631 4.597 4.197) 14.985 5.506 ( -7.293 2.407 3.650) 8.503 5.783 ( -5.460 1.530 6.097) 8.326 5.910 ( -1.684 4.570 -5.412) 7.281 7.090 ( -14.869 -3.909 10.984) 18.895 7.286 ( -0.635 5.554 -12.772) 13.942 7.813 ( 7.963 8.309 15.115) 18.997 8.489 ( 6.492 10.990 2.808) 13.070 8.813 ( 2.724 -6.024 9.112) 11.258 9.114 ( -0.676 6.890 -9.115) 11.446 9.877 ( -12.917 4.946 10.841) 17.574 10.674 ( -4.196 1.202 -8.665) 9.702 11.006 ( -12.156 12.184 15.506) 23.166 11.525 ( -10.378 -1.215 -0.956) 10.493 12.471 ( -8.160 12.702 -11.360) 18.894 12.785 ( 1.924 24.841 6.376) 25.718 13.425 ( 2.293 -15.849 4.766) 16.709 14.176 ( 11.104 -15.476 -7.031) 20.303 14.989 ( -3.338 -5.085 2.628) 6.626 15.143 ( -0.510 -3.370 -4.945) 6.006 17.708 ( -8.249 5.717 -13.639) 16.934 18.480 ( -11.016 -14.344 0.721) 18.101 19.029 ( 22.051 2.211 -1.820) 22.236 19.810 ( 7.905 0.640 -1.194) 8.020 21.072 ( -13.781 -0.746 -17.468) 22.262 21.885 ( 13.302 -4.048 25.903) 29.399 23.953 ( -2.045 -0.135 -9.468) 9.687 24.291 ( 6.127 1.716 1.988) 6.666 ======================= 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 7.23e-05 7.23e-05 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| 2.471 ( 4.598 12.045 15.815) 20.404 2.545 ( -3.532 6.984 12.172) 14.471 3.074 ( 5.190 -2.475 3.386) 6.672 3.285 ( -9.174 9.339 -2.798) 13.387 3.415 ( 9.415 12.222 -7.183) 17.018 3.516 ( 11.405 -7.891 3.180) 14.228 3.920 ( 6.046 -3.807 -4.356) 8.368 4.285 ( 8.354 -6.807 9.263) 14.210 4.985 ( -12.163 2.760 1.981) 12.629 5.336 ( -9.926 1.008 2.122) 10.200 5.661 ( -7.920 -2.672 6.944) 10.866 5.854 ( -2.362 3.201 -8.199) 9.113 6.818 ( -14.407 -2.259 16.483) 22.008 7.296 ( 4.786 7.990 -17.671) 19.975 7.997 ( 6.545 11.029 16.219) 20.677 8.634 ( 6.057 12.801 3.781) 14.658 8.809 ( -4.879 -6.285 6.531) 10.294 9.155 ( 7.061 6.672 -1.894) 9.897 9.628 ( -13.426 5.806 6.433) 15.980 10.542 ( -7.332 -4.181 -10.484) 13.459 10.808 ( -9.973 13.094 15.820) 22.830 11.341 ( -8.654 -2.605 4.232) 9.979 12.330 ( -2.898 16.522 -11.995) 20.622 12.764 ( -4.568 22.672 2.408) 23.253 13.538 ( 7.147 -15.167 5.694) 17.707 14.354 ( 8.419 -18.681 -10.622) 23.080 14.916 ( -4.169 -3.649 2.203) 5.962 15.114 ( -1.375 -3.826 -5.245) 6.636 17.517 ( -8.743 0.535 -4.284) 9.750 18.320 ( -6.282 -21.663 -9.832) 24.605 19.406 ( 16.337 3.025 -2.792) 16.848 19.831 ( -2.945 -3.925 -4.419) 6.604 20.981 ( 6.705 5.500 -4.026) 9.561 22.059 ( -1.472 -2.536 17.701) 17.942 23.966 ( 5.347 2.058 -5.672) 8.063 24.384 ( 2.986 3.685 0.505) 4.769 ======================= 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 7.23e-05 7.23e-05 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 ( -1.312 12.007 12.359) 17.281 2.606 ( 4.057 11.548 16.872) 20.844 3.083 ( -8.437 9.479 -5.207) 13.717 3.157 ( 2.754 -1.362 -0.630) 3.137 3.558 ( 5.827 4.225 0.788) 7.240 3.806 ( 15.040 2.241 -0.512) 15.215 4.008 ( 2.999 -2.301 1.785) 4.180 4.415 ( 1.744 0.806 17.397) 17.503 4.794 ( -6.928 -1.656 -4.444) 8.396 5.156 ( -7.751 -0.510 0.369) 7.776 5.528 ( -6.451 -6.535 6.499) 11.250 5.787 ( -1.832 1.178 -10.060) 10.293 6.628 ( -8.881 2.443 20.536) 22.507 7.365 ( 5.467 10.559 -19.759) 23.061 8.135 ( 3.582 11.470 17.102) 20.901 8.659 ( -1.711 7.653 -2.671) 8.284 8.807 ( 3.442 3.928 9.821) 11.124 9.238 ( -6.076 9.734 4.263) 12.241 9.505 ( 6.324 1.051 2.371) 6.835 10.326 ( -11.895 -7.508 -11.482) 18.158 10.733 ( -0.723 11.462 15.241) 19.084 11.207 ( -5.460 -2.978 2.686) 6.774 12.316 ( 3.834 18.879 -9.313) 21.398 12.639 ( -7.693 18.873 -2.059) 20.484 13.702 ( 7.424 -13.161 7.130) 16.708 14.428 ( 1.014 -20.408 -14.066) 24.806 14.864 ( -0.882 -3.520 2.516) 4.416 15.068 ( -1.675 -3.709 -6.031) 7.276 17.354 ( -8.747 -10.633 9.562) 16.763 18.128 ( -8.807 -16.549 -22.075) 28.961 19.647 ( 7.875 1.330 -0.433) 7.998 19.799 ( 2.082 -2.992 -3.059) 4.759 21.239 ( 18.055 3.156 1.047) 18.358 21.921 ( -14.513 -1.835 8.999) 17.175 24.111 ( 8.988 4.473 -1.126) 10.102 24.408 ( -0.614 5.118 -1.031) 5.257 ======================= 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 7.23e-05 7.23e-05 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| 2.684 ( -0.146 3.538 16.257) 16.638 2.944 ( 1.008 6.164 7.537) 9.788 3.077 ( -5.164 3.420 -1.944) 6.491 3.197 ( 2.699 2.902 -3.719) 5.435 3.576 ( -0.286 -5.061 13.239) 14.176 4.001 ( -0.893 1.318 -4.831) 5.086 4.193 ( 3.275 4.126 1.903) 5.601 4.432 ( 6.354 -5.039 -0.749) 8.144 4.784 ( -2.994 10.196 5.836) 12.123 4.988 ( -4.500 -5.280 -0.120) 6.939 5.309 ( -0.305 -5.080 7.112) 8.746 5.741 ( 0.522 -0.553 -10.961) 10.987 6.641 ( -3.255 2.462 24.154) 24.496 7.554 ( 1.202 4.097 -19.553) 20.013 8.420 ( 3.092 7.287 9.797) 12.596 8.707 ( 3.711 -3.728 -1.519) 5.475 8.998 ( -1.707 5.382 17.320) 18.217 9.428 ( 3.063 12.654 3.726) 13.542 9.670 ( 12.272 -4.136 -2.146) 13.127 9.876 ( -15.721 -5.990 -10.409) 19.784 11.002 ( 5.824 5.583 8.727) 11.885 11.093 ( 1.711 -3.517 3.829) 5.473 12.760 ( 2.396 10.466 -1.343) 10.820 12.795 ( -3.496 11.837 -2.199) 12.537 13.650 ( 4.301 -3.521 0.654) 5.597 13.928 ( -3.609 -17.495 -12.616) 21.869 14.794 ( -0.154 -2.235 1.632) 2.772 14.989 ( 0.615 -1.223 -8.997) 9.101 16.955 ( -11.282 -5.640 20.067) 23.702 17.815 ( 0.977 -4.080 -25.234) 25.581 19.682 ( -1.464 -0.504 2.660) 3.078 19.851 ( 2.920 -0.370 -6.381) 7.027 21.583 ( -16.723 0.414 3.862) 17.169 21.625 ( 17.510 -0.935 1.836) 17.631 24.346 ( 6.654 1.904 1.101) 7.008 24.427 ( -4.856 1.641 -2.423) 5.670 ======================= 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 7.23e-05 7.23e-05 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| 2.696 ( -1.513 4.968 13.211) 14.195 2.979 ( 0.534 2.994 7.481) 8.076 3.033 ( 0.167 0.803 -0.196) 0.843 3.222 ( 0.616 6.153 -2.240) 6.577 3.537 ( -5.405 -5.040 11.030) 13.277 3.907 ( -6.504 4.613 -5.563) 9.723 4.095 ( -11.400 -4.272 -5.843) 13.504 4.477 ( -3.434 -1.960 -7.455) 8.439 4.856 ( 7.072 7.434 15.359) 18.470 4.967 ( 3.639 -2.498 3.830) 5.844 5.403 ( 7.593 -3.350 3.861) 9.153 5.786 ( 5.821 -1.028 -8.772) 10.578 6.636 ( -2.455 2.843 22.582) 22.892 7.536 ( 2.446 3.255 -18.859) 19.294 8.496 ( -1.671 11.027 8.532) 14.042 8.695 ( -0.514 -7.422 2.211) 7.761 9.028 ( 0.847 6.377 3.800) 7.472 9.454 ( -11.364 4.733 -2.988) 12.668 9.616 ( 2.956 3.717 6.111) 7.739 9.955 ( 14.401 -5.201 -4.455) 15.946 11.161 ( 4.211 -1.542 0.109) 4.486 11.256 ( 17.846 2.015 3.294) 18.259 12.660 ( -5.074 16.818 -1.446) 17.627 12.896 ( 6.914 5.640 -0.196) 8.925 13.702 ( 0.478 -7.035 0.275) 7.057 13.797 ( -6.079 -12.609 -11.766) 18.286 14.811 ( 1.414 -2.943 1.001) 3.415 15.000 ( 2.282 -1.677 -7.543) 8.057 16.854 ( -3.867 -3.420 23.003) 23.575 17.851 ( 8.058 -5.377 -17.757) 20.228 19.607 ( -7.072 -0.071 0.970) 7.138 19.829 ( -3.219 -0.708 -5.363) 6.295 21.245 ( -16.683 1.580 3.241) 17.069 22.012 ( 19.746 -2.548 0.592) 19.918 24.256 ( -11.173 1.928 -3.982) 12.017 24.443 ( 2.539 1.205 0.713) 2.899 ======================= 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 7.23e-05 7.23e-05 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| 2.700 ( -0.721 5.590 9.518) 11.061 2.992 ( -0.535 0.479 3.670) 3.740 3.047 ( 0.736 -1.743 -0.408) 1.936 3.205 ( -3.003 9.418 5.318) 11.225 3.444 ( -5.836 -6.659 6.469) 10.966 3.754 ( -9.911 5.231 -4.883) 12.224 3.793 ( -12.503 -3.947 -14.026) 19.200 4.286 ( -12.008 -6.382 -8.592) 16.085 5.035 ( 7.857 3.810 15.295) 17.613 5.169 ( 12.758 1.966 8.101) 15.240 5.585 ( 9.383 -1.163 2.225) 9.713 5.898 ( 6.424 -0.831 -5.881) 8.749 6.667 ( 1.437 2.916 18.391) 18.677 7.587 ( 7.173 2.562 -17.987) 19.533 8.325 ( -13.518 7.500 7.376) 17.129 8.732 ( -4.200 -7.256 2.942) 8.885 8.985 ( -5.626 5.987 0.611) 8.238 9.270 ( 1.276 2.415 -6.396) 6.954 9.781 ( 8.093 7.646 14.287) 18.113 10.223 ( 13.589 -3.524 -5.297) 15.004 11.199 ( -0.352 -1.529 -1.546) 2.202 11.689 ( 23.582 1.507 -3.374) 23.870 12.593 ( -1.103 23.100 -1.185) 23.157 13.031 ( 6.273 -5.276 1.770) 8.385 13.613 ( -6.845 -3.722 -11.157) 13.609 13.711 ( -2.503 -9.675 1.644) 10.128 14.849 ( 2.183 -2.428 0.887) 3.383 15.036 ( 2.711 -2.779 -6.019) 7.163 16.911 ( 4.540 -0.017 22.230) 22.689 18.051 ( 15.185 -6.974 -10.814) 19.904 19.402 ( -13.621 0.034 -1.123) 13.668 19.738 ( -3.965 -0.569 -1.671) 4.340 20.948 ( -14.386 2.829 3.904) 15.173 22.379 ( 17.009 -3.567 -2.924) 17.623 23.973 ( -15.860 1.076 -4.570) 16.541 24.460 ( -0.714 0.919 -0.510) 1.270 ======================= 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 7.23e-05 7.23e-05 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| 2.700 ( -1.493 4.645 5.605) 7.432 2.979 ( -1.038 -0.020 -0.261) 1.070 3.040 ( -2.226 -2.145 -2.106) 3.741 3.139 ( -3.917 8.729 7.293) 12.030 3.320 ( -8.401 -4.175 -6.754) 11.559 3.417 ( -14.828 -9.591 -2.530) 17.840 3.695 ( -0.819 7.825 -6.354) 10.113 4.035 ( -10.306 -8.393 -7.557) 15.289 5.242 ( 9.346 2.952 13.885) 16.996 5.432 ( 11.170 1.859 8.250) 14.011 5.760 ( 7.585 0.937 1.637) 7.816 5.990 ( 3.604 -0.270 -3.002) 4.699 6.785 ( 6.680 3.283 14.157) 15.994 7.729 ( 10.250 2.520 -15.229) 18.529 8.070 ( -12.839 5.203 5.763) 15.004 8.511 ( -14.842 -8.340 2.472) 17.203 8.841 ( -8.497 5.315 2.682) 10.375 9.427 ( 10.961 5.925 -10.665) 16.400 9.972 ( 7.237 3.886 17.152) 19.017 10.457 ( 11.529 -2.040 -7.330) 13.813 11.166 ( -1.961 -0.760 5.164) 5.576 12.071 ( 14.588 2.791 -10.308) 18.079 12.615 ( 3.450 24.116 0.245) 24.362 13.137 ( 3.563 -17.989 1.477) 18.397 13.463 ( -5.272 6.550 -7.867) 11.514 13.645 ( -4.789 -8.600 3.171) 10.341 14.897 ( 2.276 -1.569 0.985) 2.935 15.072 ( 2.142 -3.393 -4.970) 6.388 17.137 ( 13.895 1.864 16.715) 21.816 18.375 ( 18.388 -5.685 -5.588) 20.041 19.083 ( -17.171 -0.108 -3.261) 17.479 19.694 ( -0.919 -0.583 2.370) 2.608 20.697 ( -11.748 2.954 7.375) 14.182 22.608 ( 5.180 -3.568 -12.893) 14.345 23.675 ( -10.856 -0.311 0.815) 10.891 24.419 ( -3.034 0.565 -2.605) 4.038 ======================= 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 7.23e-05 7.23e-05 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| 2.656 ( -3.764 1.484 1.620) 4.358 2.917 ( -9.918 -0.033 -3.419) 10.491 2.945 ( -3.008 1.476 0.412) 3.376 3.031 ( -6.905 3.046 -10.548) 12.969 3.169 ( 1.142 -4.362 -1.914) 4.898 3.267 ( -3.892 -7.673 3.445) 9.268 3.693 ( 1.120 6.147 -1.326) 6.387 3.873 ( -4.671 -7.068 -5.360) 10.025 5.449 ( 8.147 2.428 11.908) 14.631 5.623 ( 5.942 1.261 6.733) 9.067 5.882 ( 4.280 2.310 1.606) 5.122 6.025 ( 0.563 0.633 -0.680) 1.086 6.985 ( 10.343 3.631 11.279) 15.728 7.767 ( -8.151 2.603 -5.113) 9.967 7.975 ( 3.638 8.039 1.278) 8.916 8.252 ( -8.643 -12.688 -0.310) 15.355 8.687 ( -7.626 4.349 5.934) 10.596 9.524 ( 1.354 6.662 -19.392) 20.550 10.121 ( 3.249 0.699 18.316) 18.615 10.651 ( 10.057 -0.189 -8.399) 13.104 11.194 ( 2.473 1.150 16.016) 16.247 12.178 ( -0.480 4.314 -13.876) 14.539 12.716 ( 5.888 18.991 1.447) 19.936 13.138 ( -3.563 -14.661 -4.750) 15.818 13.420 ( 2.318 4.125 0.972) 4.831 13.541 ( -6.449 -6.390 4.735) 10.239 14.938 ( 1.565 -1.313 1.100) 2.320 15.096 ( 1.343 -3.017 -4.654) 5.707 17.528 ( 22.511 2.061 8.367) 24.104 18.554 ( -9.929 -1.117 -4.106) 10.803 18.912 ( 11.733 -0.686 -3.269) 12.199 19.631 ( -9.050 0.581 0.276) 9.072 20.598 ( 1.702 -0.037 18.164) 18.244 22.435 ( -17.080 -3.238 -25.040) 30.483 23.654 ( 6.788 -1.421 8.420) 10.909 24.330 ( -4.956 0.198 -5.394) 7.328 ======================= 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 7.23e-05 7.23e-05 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| 2.570 ( -4.900 -0.948 1.064) 5.103 2.711 ( -6.515 -1.195 -5.270) 8.464 2.868 ( -3.764 2.321 1.398) 4.638 2.970 ( 0.034 1.426 -3.081) 3.396 3.210 ( 2.246 -3.557 -0.624) 4.253 3.281 ( 5.832 -5.388 -3.135) 8.536 3.722 ( 1.662 3.190 0.370) 3.616 3.806 ( -1.572 -3.993 -4.142) 5.964 5.597 ( 3.853 2.043 9.358) 10.325 5.674 ( -2.482 1.041 4.922) 5.610 5.933 ( 0.400 2.504 2.190) 3.351 6.026 ( -0.033 1.591 -0.022) 1.591 7.219 ( 9.589 3.354 10.566) 14.658 7.574 ( -8.549 1.446 -5.610) 10.328 7.863 ( -12.185 3.675 8.048) 15.058 8.334 ( 12.442 -7.276 -4.928) 15.233 8.580 ( -4.874 3.253 10.406) 11.943 9.423 ( -4.978 4.730 -22.551) 23.574 10.176 ( -1.970 1.071 18.859) 18.992 10.794 ( 5.622 1.253 -9.892) 11.447 11.300 ( 2.625 3.134 21.601) 21.984 12.030 ( -10.432 2.317 -12.705) 16.602 12.842 ( 6.674 13.181 1.596) 14.860 13.016 ( -6.377 0.444 -7.094) 9.549 13.419 ( -6.478 -2.473 6.230) 9.322 13.521 ( 5.921 -8.925 3.344) 11.220 14.959 ( 0.193 -1.671 1.428) 2.206 15.105 ( 0.826 -2.177 -5.265) 5.757 18.035 ( 26.758 1.906 1.154) 26.851 18.237 ( -14.948 -0.044 -8.395) 17.144 19.269 ( 15.715 2.093 0.432) 15.859 19.298 ( -19.394 1.124 -1.456) 19.481 20.868 ( 18.375 -3.331 27.499) 33.241 21.943 ( -24.210 -3.305 -27.360) 36.683 23.877 ( 11.982 -1.034 7.558) 14.204 24.202 ( -6.341 -0.201 -8.559) 10.654 ======================= 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 7.23e-05 7.23e-05 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| 2.495 ( -2.465 2.271 5.788) 6.688 2.668 ( 1.358 -2.171 1.232) 2.842 2.836 ( 0.845 2.754 2.920) 4.102 2.991 ( 2.368 -3.175 0.191) 3.965 3.291 ( 6.752 3.740 -3.473) 8.464 3.438 ( 10.185 -6.819 -4.246) 12.972 3.739 ( -0.542 1.209 -3.711) 3.940 3.788 ( 1.167 -3.262 -1.264) 3.687 5.553 ( -9.737 2.189 4.775) 11.063 5.635 ( -2.394 1.118 6.194) 6.734 5.905 ( -4.068 1.451 3.439) 5.521 6.019 ( -0.723 2.009 -2.045) 2.957 7.284 ( -9.143 0.372 12.910) 15.824 7.426 ( -4.594 1.114 -8.778) 9.970 7.761 ( 4.214 3.273 6.909) 8.730 8.548 ( 0.009 3.038 7.723) 8.299 8.572 ( 10.120 -3.727 5.434) 12.076 9.286 ( -3.290 3.359 -18.427) 19.018 10.122 ( -7.927 1.625 17.461) 19.245 10.809 ( -1.493 1.572 -12.245) 12.435 11.349 ( -3.703 5.840 23.275) 24.281 11.750 ( -14.286 -0.461 -9.348) 17.079 12.865 ( -6.055 8.412 -6.562) 12.268 12.994 ( 7.062 2.448 0.493) 7.491 13.317 ( -5.006 6.866 7.272) 11.184 13.659 ( 7.467 -15.834 0.539) 17.515 14.951 ( -1.409 -1.993 2.048) 3.186 15.104 ( 0.388 -1.595 -6.598) 6.799 17.977 ( -7.845 1.645 -12.758) 15.067 18.570 ( 25.566 1.446 -4.337) 25.971 18.770 ( -27.650 -1.377 2.513) 27.798 19.622 ( 14.563 1.708 1.070) 14.702 21.358 ( 21.870 -3.027 28.574) 36.110 21.427 ( -19.874 -2.326 -23.100) 30.562 24.050 ( -5.387 0.072 -10.382) 11.697 24.123 ( 10.169 -0.719 4.285) 11.058 ======================= 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 7.23e-05 7.23e-05 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| 2.505 ( 0.698 2.730 12.834) 13.140 2.725 ( 3.704 6.765 4.575) 8.967 2.925 ( 5.929 0.834 5.477) 8.114 3.071 ( 5.889 -10.384 2.952) 12.297 3.462 ( 11.015 10.734 -2.808) 15.634 3.583 ( 0.738 1.486 -4.693) 4.978 3.739 ( 6.181 -3.494 -9.828) 12.125 3.852 ( 5.773 -8.638 1.925) 10.567 5.333 ( -13.039 3.091 5.407) 14.451 5.540 ( -8.170 0.818 3.566) 8.952 5.786 ( -8.913 -0.502 5.161) 10.311 5.979 ( -2.564 1.778 -5.218) 6.080 7.030 ( -16.232 -1.577 15.884) 22.765 7.365 ( 1.259 1.913 -13.257) 13.453 7.968 ( 11.662 5.230 8.328) 15.255 8.598 ( 1.504 -1.117 21.319) 21.401 8.744 ( 6.504 0.935 -3.602) 7.494 9.225 ( 0.700 3.004 -12.428) 12.805 9.947 ( -13.011 1.745 15.114) 20.019 10.691 ( -7.032 0.515 -13.496) 15.227 11.249 ( -10.895 9.501 19.939) 24.628 11.467 ( -12.445 -4.100 -1.545) 13.194 12.744 ( -4.213 13.309 -6.845) 15.548 13.093 ( 0.842 -15.091 1.255) 15.167 13.288 ( 2.074 22.235 4.749) 22.831 13.809 ( 7.668 -18.993 -3.505) 20.780 14.915 ( -2.692 -1.856 2.573) 4.160 15.089 ( -0.338 -1.542 -8.066) 8.219 17.850 ( -3.799 6.730 -15.948) 17.722 18.214 ( -24.739 -9.865 2.410) 26.742 19.066 ( 23.073 1.081 -3.855) 23.418 19.806 ( 3.272 -0.444 -2.328) 4.040 21.082 ( -7.931 0.801 -13.994) 16.105 21.820 ( 15.439 -1.879 25.847) 30.165 23.949 ( -1.005 -0.148 -10.965) 11.012 24.312 ( 7.661 0.441 2.719) 8.141 ======================= 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 7.23e-05 7.23e-05 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| 2.560 ( 1.362 1.113 16.294) 16.389 2.829 ( 4.835 14.495 5.221) 16.147 3.035 ( 4.273 -0.860 3.657) 5.690 3.247 ( 9.391 -12.521 10.531) 18.865 3.452 ( -8.307 3.930 -4.160) 10.087 3.729 ( 14.688 15.388 -4.788) 21.804 3.860 ( 6.461 -1.513 -7.039) 9.673 4.054 ( 12.692 -14.186 1.332) 19.081 5.088 ( -12.426 4.608 5.841) 14.483 5.346 ( -11.430 -0.028 1.577) 11.538 5.590 ( -11.689 -2.882 7.245) 14.051 5.899 ( -3.738 1.109 -8.373) 9.236 6.788 ( -11.589 -0.682 19.167) 22.409 7.416 ( 7.171 3.167 -17.495) 19.171 8.198 ( 8.660 7.172 11.064) 15.775 8.656 ( -2.125 -6.053 20.872) 21.836 8.837 ( 5.337 5.230 -2.431) 7.858 9.258 ( 5.117 2.718 -7.766) 9.689 9.711 ( -13.232 2.076 12.973) 18.646 10.484 ( -10.716 -1.353 -13.822) 17.541 11.064 ( -10.356 10.607 15.445) 21.408 11.254 ( -9.704 -5.901 5.164) 12.476 12.679 ( -0.790 16.386 -6.112) 17.507 13.041 ( -5.084 -7.032 1.689) 8.840 13.400 ( 7.021 12.277 1.145) 14.189 13.930 ( 5.553 -20.440 -7.641) 22.517 14.862 ( -3.124 -1.370 2.721) 4.363 15.055 ( -0.993 -1.600 -9.179) 9.370 17.579 ( -21.070 4.352 4.923) 22.070 17.958 ( -1.315 -11.798 -20.102) 23.345 19.457 ( 17.254 1.552 -4.704) 17.951 19.766 ( -4.157 -1.892 -3.327) 5.651 21.066 ( 6.966 2.290 -2.745) 7.830 22.020 ( -0.637 -1.049 16.314) 16.360 23.992 ( 7.364 0.586 -6.043) 9.544 24.433 ( 4.182 1.148 0.918) 4.433 ======================= 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 7.23e-05 7.23e-05 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 ( 1.545 1.813 16.983) 17.149 2.906 ( 1.708 11.472 5.668) 12.909 3.128 ( 4.487 0.221 -0.068) 4.493 3.238 ( -9.682 3.869 -0.911) 10.466 3.471 ( 7.470 -7.908 11.019) 15.485 3.964 ( 5.155 -0.971 -6.025) 7.988 4.006 ( 13.022 13.368 0.136) 18.662 4.284 ( 9.324 -11.636 1.700) 15.007 4.892 ( -8.358 7.289 4.291) 11.891 5.129 ( -9.778 -2.260 0.104) 10.036 5.392 ( -9.239 -4.970 8.660) 13.603 5.803 ( -3.443 0.332 -10.812) 11.352 6.668 ( -5.643 1.116 22.403) 23.130 7.527 ( 6.751 4.331 -20.213) 21.746 8.342 ( 3.355 7.781 12.541) 15.135 8.640 ( 0.005 -4.845 5.636) 7.432 8.951 ( 3.582 5.247 13.363) 14.796 9.384 ( 7.030 3.743 -3.645) 8.759 9.529 ( -4.835 1.075 6.719) 8.348 10.208 ( -14.201 -3.266 -12.612) 19.272 10.955 ( -3.256 9.240 12.314) 15.735 11.117 ( -5.166 -5.704 6.184) 9.873 12.688 ( 2.895 16.232 -4.464) 17.082 12.924 ( -6.651 2.184 0.036) 7.001 13.539 ( 6.588 2.678 0.349) 7.120 13.979 ( 1.291 -20.288 -10.902) 23.068 14.813 ( -2.185 -1.255 2.390) 3.473 15.014 ( -0.803 -1.435 -9.585) 9.725 17.204 ( -17.897 -3.660 14.604) 23.388 17.889 ( -1.053 -6.025 -28.328) 28.980 19.680 ( 2.021 1.618 0.236) 2.600 19.744 ( 7.134 -2.102 -4.525) 8.706 21.286 ( 14.573 1.242 1.481) 14.701 21.894 ( -13.417 -0.673 7.484) 15.378 24.172 ( 10.190 1.429 -0.847) 10.325 24.477 ( 0.093 1.638 -0.674) 1.773 ======================= 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 7.23e-05 7.23e-05 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| 2.036 ( -1.318 0.000 -6.899) 7.024 2.036 ( 1.318 0.000 6.899) 7.024 2.741 ( -6.064 0.000 -6.115) 8.612 2.741 ( 6.064 0.000 6.115) 8.612 3.703 ( -1.273 0.000 -3.677) 3.891 3.703 ( 1.273 0.000 3.677) 3.891 4.467 ( -3.448 0.000 -0.035) 3.448 4.467 ( 3.448 0.000 0.035) 3.448 4.938 ( 3.250 0.000 -8.178) 8.800 4.938 ( -3.250 0.000 8.178) 8.800 5.740 ( 0.730 0.000 -3.190) 3.273 5.740 ( -0.730 0.000 3.190) 3.273 6.561 ( 7.623 0.000 -15.549) 17.317 6.561 ( -7.623 0.000 15.549) 17.317 7.864 ( -3.994 0.000 -15.011) 15.533 7.864 ( 3.994 0.000 15.011) 15.533 8.541 ( 13.309 0.000 -13.730) 19.122 8.541 ( -13.309 0.000 13.730) 19.122 10.246 ( -19.480 0.000 -17.805) 26.391 10.246 ( 19.480 0.000 17.805) 26.391 10.570 ( 0.279 0.000 -3.880) 3.890 10.570 ( -0.279 0.000 3.880) 3.890 11.875 ( 5.305 0.000 -9.329) 10.732 11.875 ( -5.305 0.000 9.329) 10.732 14.483 ( -5.628 0.000 -12.509) 13.717 14.483 ( 5.628 0.000 12.509) 13.717 15.283 ( 7.975 0.000 -2.929) 8.496 15.283 ( -7.975 0.000 2.929) 8.496 18.372 ( -34.057 0.000 4.593) 34.366 18.372 ( 34.057 0.000 -4.593) 34.366 19.880 ( -0.663 0.000 -1.477) 1.619 19.880 ( 0.663 0.000 1.477) 1.619 21.766 ( -36.212 0.000 8.909) 37.292 21.766 ( 36.212 0.000 -8.909) 37.292 23.871 ( -6.912 0.000 -4.838) 8.437 23.871 ( 6.912 0.000 4.838) 8.437 ======================= 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 7.23e-05 7.23e-05 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| 2.087 ( 7.384 0.000 -5.311) 9.096 2.170 ( 10.188 0.000 6.894) 12.301 2.615 ( -4.792 0.000 -11.042) 12.037 2.889 ( 8.482 0.000 -0.129) 8.483 3.591 ( -8.564 0.000 -5.159) 9.998 3.664 ( -5.351 0.000 3.858) 6.597 4.400 ( -1.727 0.000 -10.618) 10.758 4.503 ( 0.695 0.000 -11.075) 11.097 4.961 ( 2.290 0.000 19.697) 19.830 5.032 ( 6.254 0.000 3.472) 7.153 5.722 ( -1.492 0.000 0.302) 1.523 5.736 ( -0.032 0.000 -5.738) 5.738 6.518 ( -0.816 0.000 16.381) 16.401 6.751 ( 14.348 0.000 -11.160) 18.177 7.752 ( -3.893 0.000 -11.428) 12.073 7.934 ( -1.513 0.000 14.475) 14.554 8.426 ( -0.865 0.000 17.821) 17.842 8.836 ( 18.892 0.000 -15.689) 24.557 9.860 ( -14.942 0.000 -19.421) 24.504 10.585 ( 0.558 0.000 5.096) 5.126 10.589 ( 2.894 0.000 -4.177) 5.082 10.697 ( 22.502 0.000 12.336) 25.661 11.774 ( -6.725 0.000 6.801) 9.565 11.946 ( 4.960 0.000 -15.256) 16.042 14.348 ( -5.416 0.000 -11.013) 12.273 14.628 ( 5.908 0.000 13.576) 14.806 15.108 ( -9.969 0.000 1.231) 10.045 15.408 ( 5.656 0.000 -4.723) 7.369 17.778 ( -26.957 0.000 12.998) 29.927 19.025 ( 28.990 0.000 2.854) 29.130 19.807 ( -6.227 0.000 -2.128) 6.580 19.860 ( -1.519 0.000 3.301) 3.633 21.020 ( -38.961 0.000 3.822) 39.148 22.350 ( 24.715 0.000 -16.265) 29.587 23.740 ( -4.696 0.000 -3.946) 6.134 24.015 ( 6.470 0.000 3.185) 7.211 ======================= 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 7.23e-05 7.23e-05 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| 2.274 ( 11.668 0.000 -2.524) 11.938 2.406 ( 8.393 0.000 -11.043) 13.871 2.545 ( 3.965 0.000 4.460) 5.967 3.076 ( 10.602 0.000 -4.966) 11.708 3.373 ( -10.920 0.000 -8.110) 13.602 3.541 ( -7.288 0.000 3.157) 7.942 4.346 ( -1.794 0.000 -10.025) 10.184 4.439 ( -4.588 0.000 -9.854) 10.870 5.089 ( 5.401 0.000 18.369) 19.147 5.179 ( 6.915 0.000 7.443) 10.160 5.682 ( -2.346 0.000 -2.109) 3.155 5.714 ( -0.639 0.000 -7.253) 7.281 6.583 ( 3.314 0.000 15.065) 15.425 7.039 ( 15.181 0.000 -5.157) 16.033 7.668 ( -2.064 0.000 -8.089) 8.348 7.887 ( -4.624 0.000 9.945) 10.968 8.556 ( 6.917 0.000 25.630) 26.547 9.156 ( 15.306 0.000 -23.563) 28.098 9.599 ( -5.623 0.000 -14.786) 15.819 10.598 ( -0.754 0.000 4.175) 4.243 10.677 ( 7.327 0.000 -4.292) 8.491 11.173 ( 22.777 0.000 8.554) 24.330 11.646 ( -7.821 0.000 9.167) 12.050 12.007 ( 5.699 0.000 -22.562) 23.271 14.216 ( -5.712 0.000 -8.859) 10.541 14.713 ( -4.836 0.000 12.670) 13.562 14.958 ( -1.260 0.000 2.183) 2.520 15.481 ( 2.846 0.000 -6.467) 7.065 17.402 ( -14.029 0.000 16.575) 21.716 19.286 ( -5.432 0.000 -1.930) 5.765 19.633 ( -10.363 0.000 -3.725) 11.012 19.900 ( -5.817 0.000 3.260) 6.668 20.448 ( -6.684 0.000 14.254) 15.743 22.626 ( 7.477 0.000 -23.848) 24.993 23.706 ( 2.466 0.000 0.003) 2.466 24.132 ( 4.756 0.000 0.626) 4.797 ======================= 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 7.23e-05 7.23e-05 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| 2.407 ( 1.824 0.000 -18.633) 18.722 2.508 ( 11.801 0.000 0.381) 11.808 2.825 ( 14.990 0.000 14.633) 20.948 3.081 ( -11.288 0.000 -4.075) 12.001 3.348 ( 13.403 0.000 -13.374) 18.935 3.411 ( -5.665 0.000 1.096) 5.770 4.268 ( -4.954 0.000 -3.348) 5.979 4.282 ( -9.345 0.000 -7.395) 11.917 5.235 ( 5.397 0.000 13.912) 14.922 5.323 ( 5.762 0.000 6.887) 8.979 5.625 ( -2.606 0.000 -3.587) 4.434 5.679 ( -1.250 0.000 -7.675) 7.777 6.706 ( 5.754 0.000 13.365) 14.551 7.242 ( 4.258 0.000 -3.368) 5.429 7.664 ( 3.878 0.000 -3.416) 5.168 7.833 ( -2.490 0.000 6.652) 7.103 8.758 ( 6.417 0.000 30.071) 30.748 9.209 ( -0.780 0.000 -31.566) 31.576 9.672 ( 12.687 0.000 -8.949) 15.526 10.553 ( -5.135 0.000 3.192) 6.047 10.861 ( 12.039 0.000 -4.798) 12.960 11.518 ( -6.074 0.000 7.623) 9.747 11.611 ( 17.453 0.000 14.562) 22.730 12.068 ( 6.220 0.000 -28.512) 29.182 14.092 ( -4.659 0.000 -6.309) 7.843 14.507 ( -14.324 0.000 7.927) 16.371 15.060 ( 6.566 0.000 7.756) 10.162 15.487 ( -0.583 0.000 -8.183) 8.204 17.314 ( 1.499 0.000 15.128) 15.202 18.973 ( -21.996 0.000 -5.918) 22.778 19.402 ( -11.399 0.000 -5.538) 12.673 19.504 ( -21.979 0.000 0.027) 21.979 20.832 ( 25.619 0.000 27.397) 37.510 22.562 ( -6.571 0.000 -27.764) 28.531 23.822 ( 7.823 0.000 2.592) 8.241 24.199 ( 1.969 0.000 -1.806) 2.672 ======================= 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 7.23e-05 7.23e-05 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| 2.453 ( 6.368 0.000 -11.237) 12.916 2.712 ( 5.962 0.000 0.769) 6.012 2.857 ( -7.222 0.000 -1.737) 7.428 3.043 ( 0.330 0.000 8.575) 8.582 3.417 ( 9.204 0.000 3.927) 10.006 3.612 ( 15.374 0.000 -14.308) 21.002 4.041 ( -13.147 0.000 -6.163) 14.520 4.125 ( -9.741 0.000 3.939) 10.507 5.357 ( 4.158 0.000 9.949) 10.783 5.427 ( 3.199 0.000 2.921) 4.332 5.573 ( -1.550 0.000 -2.368) 2.830 5.631 ( -1.953 0.000 -6.774) 7.050 6.866 ( 7.509 0.000 11.346) 13.605 7.201 ( -5.450 0.000 -6.419) 8.421 7.763 ( 4.486 0.000 0.575) 4.523 7.818 ( -0.462 0.000 3.562) 3.592 8.928 ( 3.535 0.000 31.553) 31.751 9.119 ( -0.456 0.000 -30.792) 30.795 9.921 ( 13.952 0.000 -9.415) 16.832 10.405 ( -10.483 0.000 3.496) 11.050 11.099 ( 12.571 0.000 -7.700) 14.742 11.416 ( -6.865 0.000 15.061) 16.552 11.927 ( 10.436 0.000 14.662) 17.997 12.111 ( 4.386 0.000 -29.180) 29.507 14.025 ( -0.292 0.000 -4.656) 4.665 14.253 ( -12.353 0.000 6.864) 14.132 15.199 ( 5.477 0.000 9.169) 10.680 15.425 ( -3.415 0.000 -9.463) 10.061 17.520 ( 15.717 0.000 11.679) 19.581 18.471 ( -26.054 0.000 -7.716) 27.172 19.179 ( -11.064 0.000 3.967) 11.753 19.188 ( -8.091 0.000 -6.652) 10.475 21.394 ( 23.735 0.000 29.841) 38.129 22.287 ( -14.090 0.000 -29.248) 32.465 23.987 ( 7.589 0.000 3.654) 8.423 24.197 ( -1.550 0.000 -3.483) 3.812 ======================= 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 7.23e-05 7.23e-05 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| 2.598 ( 9.511 0.000 -3.344) 10.081 2.598 ( -9.511 0.000 3.344) 10.081 2.946 ( -8.084 0.000 0.762) 8.120 2.946 ( 8.084 0.000 -0.762) 8.120 3.700 ( -12.956 0.000 -10.991) 16.990 3.700 ( 12.956 0.000 10.991) 16.990 3.914 ( 11.174 0.000 -6.822) 13.092 3.914 ( -11.174 0.000 6.822) 13.092 5.437 ( -1.787 0.000 -5.689) 5.963 5.437 ( 1.787 0.000 5.689) 5.963 5.578 ( -1.721 0.000 -4.281) 4.613 5.578 ( 1.721 0.000 4.281) 4.613 7.045 ( -7.921 0.000 -8.983) 11.977 7.045 ( 7.921 0.000 8.983) 11.977 7.814 ( 0.933 0.000 -0.598) 1.109 7.814 ( -0.933 0.000 0.598) 1.109 9.041 ( -0.826 0.000 -31.223) 31.234 9.041 ( 0.826 0.000 31.223) 31.234 10.174 ( 13.429 0.000 -6.416) 14.883 10.174 ( -13.429 0.000 6.416) 14.883 11.294 ( 9.296 0.000 -12.759) 15.787 11.294 ( -9.296 0.000 12.759) 15.787 12.086 ( -1.595 0.000 -22.785) 22.841 12.086 ( 1.595 0.000 22.785) 22.841 14.075 ( 6.613 0.000 -5.274) 8.458 14.075 ( -6.613 0.000 5.274) 8.458 15.321 ( -4.696 0.000 -9.785) 10.854 15.321 ( 4.696 0.000 9.785) 10.854 17.948 ( -24.143 0.000 -9.010) 25.770 17.948 ( 24.143 0.000 9.010) 25.770 19.085 ( -0.106 0.000 -6.222) 6.223 19.085 ( 0.106 0.000 6.222) 6.223 21.888 ( -19.344 0.000 -30.075) 35.759 21.888 ( 19.344 0.000 30.075) 35.759 24.123 ( -5.031 0.000 -4.073) 6.474 24.123 ( 5.031 0.000 4.073) 6.474 ======================= 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 7.23e-05 7.23e-05 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| 2.150 ( -3.005 10.417 -6.160) 12.470 2.150 ( 3.005 10.417 6.160) 12.470 2.812 ( -3.348 6.212 -7.944) 10.626 2.812 ( 3.348 6.212 7.944) 10.626 3.677 ( -2.192 -1.806 -4.456) 5.284 3.677 ( 2.192 -1.806 4.456) 5.284 4.496 ( -5.331 2.173 -6.518) 8.696 4.496 ( 5.331 2.173 6.518) 8.696 4.910 ( 1.582 -2.544 -10.004) 10.443 4.910 ( -1.582 -2.544 10.004) 10.443 5.719 ( 1.338 -1.876 -3.257) 3.990 5.719 ( -1.338 -1.876 3.257) 3.990 6.628 ( 7.039 6.192 -16.807) 19.244 6.628 ( -7.039 6.192 16.807) 19.244 7.980 ( -4.367 10.606 -13.454) 17.680 7.980 ( 4.367 10.606 13.454) 17.680 8.611 ( 11.914 6.429 -10.629) 17.212 8.611 ( -11.914 6.429 10.629) 17.212 10.166 ( -14.789 -6.332 -15.256) 22.171 10.166 ( 14.789 -6.332 15.256) 22.171 10.684 ( -4.911 9.322 -5.002) 11.664 10.684 ( 4.911 9.322 5.002) 11.664 11.917 ( 3.174 4.370 -9.937) 11.310 11.917 ( -3.174 4.370 9.937) 11.310 14.447 ( -5.714 -3.612 -13.165) 14.799 14.447 ( 5.714 -3.612 13.165) 14.799 15.226 ( 0.601 -5.239 -2.068) 5.664 15.226 ( -0.601 -5.239 2.068) 5.664 18.237 ( -17.882 -12.359 -3.746) 22.058 18.237 ( 17.882 -12.359 3.746) 22.058 19.857 ( -0.917 -1.995 -1.903) 2.906 19.857 ( 0.917 -1.995 1.903) 2.906 21.731 ( -31.678 -2.823 6.279) 32.417 21.731 ( 31.678 -2.823 -6.279) 32.417 23.963 ( -6.841 7.886 -3.369) 10.970 23.963 ( 6.841 7.886 3.369) 10.970 ======================= 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 7.23e-05 7.23e-05 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| 2.141 ( 4.040 6.607 -3.004) 8.307 2.322 ( 11.408 12.265 4.219) 17.273 2.700 ( -4.650 7.592 -9.414) 12.957 2.932 ( 6.801 3.634 -0.442) 7.724 3.553 ( -8.695 -2.884 -4.697) 10.295 3.659 ( -4.641 -0.307 4.708) 6.618 4.367 ( -4.688 -1.634 -13.369) 14.261 4.584 ( 2.481 5.308 -9.702) 11.334 4.961 ( 3.456 0.075 18.761) 19.077 4.969 ( 4.931 -5.752 4.602) 8.865 5.677 ( -1.879 -2.149 -0.484) 2.895 5.760 ( 2.242 0.275 -4.043) 4.631 6.586 ( -1.526 6.260 17.405) 18.559 6.795 ( 13.082 4.057 -12.914) 18.825 7.855 ( -4.968 9.500 -9.237) 14.151 8.067 ( -0.278 12.167 11.183) 16.528 8.494 ( -0.592 6.068 13.833) 15.117 8.897 ( 17.771 5.656 -11.572) 21.948 9.814 ( -15.282 -4.489 -16.458) 22.904 10.446 ( 9.784 -7.608 7.522) 14.498 10.640 ( 0.806 5.740 -5.317) 7.866 10.905 ( 16.271 12.750 6.801) 21.761 11.779 ( -7.846 1.247 3.628) 8.733 12.032 ( 6.384 7.978 -10.452) 14.617 14.300 ( -6.139 -4.759 -10.702) 13.224 14.594 ( 5.242 -3.686 13.709) 15.133 15.061 ( -8.820 -4.156 0.990) 9.800 15.354 ( 5.765 -5.192 -4.455) 8.947 17.698 ( -24.182 -7.202 12.626) 28.214 18.856 ( 29.227 -16.351 2.731) 33.601 19.707 ( -11.291 -5.410 -0.542) 12.532 19.881 ( -0.591 -0.365 0.608) 0.923 21.059 ( -33.770 3.448 3.240) 34.100 22.289 ( 24.257 -5.264 -13.661) 28.333 23.823 ( -6.017 7.154 -2.782) 9.754 24.093 ( 5.591 6.778 1.806) 8.971 ======================= 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 7.23e-05 7.23e-05 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| 2.275 ( 9.391 2.321 -2.667) 10.035 2.527 ( 2.833 8.966 -13.645) 16.571 2.657 ( 7.947 10.187 8.065) 15.231 3.082 ( 8.619 0.355 -4.893) 9.918 3.340 ( -10.642 -2.856 -7.008) 13.058 3.546 ( -7.076 0.425 3.637) 7.968 4.246 ( -5.347 -5.782 -9.318) 12.200 4.545 ( -3.721 5.600 -11.397) 13.232 5.081 ( 5.542 -4.376 11.540) 13.530 5.136 ( 8.231 -0.009 13.628) 15.921 5.643 ( -1.293 -0.468 -2.863) 3.176 5.783 ( 0.936 3.157 -5.080) 6.054 6.634 ( 2.334 4.771 16.075) 16.930 7.058 ( 14.701 1.805 -7.150) 16.447 7.749 ( -3.734 7.697 -5.773) 10.321 8.029 ( -4.162 12.918 6.260) 14.946 8.621 ( 7.280 5.763 20.244) 22.272 9.191 ( 11.454 2.833 -18.777) 22.177 9.551 ( -4.276 -3.690 -11.274) 12.610 10.607 ( 3.487 -3.376 7.886) 9.260 10.681 ( 6.910 5.490 -10.599) 13.792 11.302 ( 20.906 10.300 5.063) 23.849 11.635 ( -7.614 -0.087 7.872) 10.952 12.122 ( 6.057 10.727 -17.787) 21.637 14.156 ( -6.185 -5.835 -8.597) 12.092 14.643 ( -6.306 -6.769 12.407) 15.477 14.954 ( 0.533 -0.284 2.425) 2.499 15.429 ( 2.924 -4.977 -6.092) 8.393 17.370 ( -11.966 -2.778 16.317) 20.424 19.241 ( 4.580 -9.802 0.104) 10.819 19.415 ( -16.834 -12.212 -3.392) 21.072 19.884 ( -1.863 -1.795 4.285) 5.005 20.558 ( -11.295 8.536 9.354) 16.968 22.583 ( 8.761 -4.104 -21.641) 23.705 23.749 ( -0.340 3.703 1.124) 3.885 24.185 ( 3.488 4.686 -0.364) 5.853 ======================= 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 7.23e-05 7.23e-05 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| 2.427 ( 4.279 1.399 -14.669) 15.344 2.536 ( 7.153 3.873 -0.851) 8.179 2.929 ( 12.791 8.689 11.684) 19.381 3.060 ( -11.058 -1.685 -4.206) 11.950 3.300 ( 8.677 -4.003 -10.236) 14.003 3.430 ( -2.807 0.883 -0.078) 2.944 4.102 ( -7.838 -8.531 -3.972) 12.247 4.398 ( -8.896 3.228 -6.273) 11.354 5.224 ( 6.183 -2.478 9.573) 11.663 5.325 ( 7.958 2.196 8.876) 12.122 5.611 ( -1.204 1.815 -4.035) 4.586 5.771 ( -0.993 5.334 -5.087) 7.437 6.745 ( 5.309 3.587 14.236) 15.611 7.269 ( 5.867 2.408 -4.404) 7.721 7.708 ( 1.462 4.689 -1.279) 5.075 7.965 ( -3.100 11.739 2.473) 12.390 8.809 ( 5.962 4.418 22.952) 24.121 9.150 ( -4.461 -5.516 -22.976) 24.046 9.698 ( 14.856 3.235 -7.818) 17.097 10.597 ( -4.376 2.336 1.357) 5.143 10.879 ( 13.297 3.205 -6.829) 15.288 11.522 ( -4.956 0.412 9.198) 10.456 11.710 ( 17.063 8.767 10.468) 21.854 12.187 ( 5.300 11.470 -24.701) 27.745 14.027 ( -4.745 -6.297 -6.144) 9.996 14.443 ( -13.687 -6.063 8.492) 17.211 15.054 ( 5.949 -0.639 6.998) 9.207 15.438 ( -0.378 -4.616 -7.639) 8.934 17.313 ( 2.677 0.167 15.321) 15.554 18.968 ( -22.459 -0.992 -5.607) 23.170 19.194 ( -8.477 -12.595 -3.019) 15.480 19.653 ( -17.549 7.240 -1.179) 19.020 20.789 ( 22.329 -3.288 24.601) 33.386 22.540 ( -6.413 -2.327 -27.115) 27.960 23.821 ( 6.231 -0.195 4.301) 7.574 24.225 ( 0.749 2.364 -2.370) 3.430 ======================= 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 7.23e-05 7.23e-05 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| 2.470 ( 5.297 1.514 -10.955) 12.262 2.711 ( 4.770 0.230 1.774) 5.095 2.849 ( -5.560 -0.732 -1.522) 5.811 3.088 ( -2.169 3.731 5.174) 6.737 3.386 ( 8.607 -2.895 2.713) 9.478 3.578 ( 13.052 -3.590 -10.017) 16.840 3.920 ( -9.422 -7.458 -1.817) 12.153 4.174 ( -12.689 0.723 -0.425) 12.717 5.359 ( 5.424 0.341 7.332) 9.126 5.470 ( 4.378 3.947 2.628) 6.455 5.583 ( -0.060 3.376 -2.054) 3.953 5.721 ( -2.917 6.087 -4.393) 8.053 6.904 ( 7.574 3.400 12.077) 14.655 7.248 ( -5.217 4.215 -6.786) 9.541 7.790 ( 4.818 3.040 3.194) 6.531 7.918 ( -2.033 8.722 -0.713) 8.984 8.942 ( 2.191 0.994 21.918) 22.050 9.044 ( -0.864 -6.133 -20.793) 21.696 9.971 ( 14.285 4.925 -7.689) 16.954 10.453 ( -10.070 3.567 1.221) 10.753 11.136 ( 13.645 4.023 -8.654) 16.652 11.455 ( -5.459 3.135 15.565) 16.790 12.008 ( 10.068 7.406 12.811) 17.898 12.211 ( 2.863 9.870 -26.855) 28.754 13.962 ( -0.027 -5.997 -4.673) 7.603 14.197 ( -12.242 -5.217 7.236) 15.147 15.181 ( 5.005 -1.787 8.455) 9.987 15.384 ( -2.972 -3.846 -8.766) 10.024 17.536 ( 16.114 1.566 11.971) 20.135 18.478 ( -25.261 0.629 -7.009) 26.223 19.063 ( -2.774 -5.321 -1.408) 6.164 19.323 ( -14.460 7.003 -1.670) 16.154 21.325 ( 24.018 -6.107 28.760) 37.964 22.255 ( -15.107 -3.162 -29.077) 32.919 23.973 ( 7.353 -1.372 4.946) 8.968 24.202 ( -2.415 0.416 -3.885) 4.593 ======================= 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 7.23e-05 7.23e-05 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 ( 4.407 -0.097 -2.197) 4.925 2.596 ( -4.407 -0.097 2.197) 4.925 2.961 ( -5.191 1.118 -3.946) 6.616 2.961 ( 5.191 1.118 3.946) 6.616 3.616 ( -5.443 -7.000 -11.648) 14.639 3.616 ( 5.443 -7.000 11.648) 14.639 3.917 ( 0.687 -0.568 -1.518) 1.760 3.917 ( -0.687 -0.568 1.518) 1.760 5.463 ( -3.035 2.717 -5.748) 7.045 5.463 ( 3.035 2.717 5.748) 7.045 5.640 ( -3.383 5.442 -4.560) 7.864 5.640 ( 3.383 5.442 4.560) 7.864 7.088 ( -8.221 3.919 -9.516) 13.172 7.088 ( 8.221 3.919 9.516) 13.172 7.871 ( -1.089 5.211 -6.158) 8.140 7.871 ( 1.089 5.211 6.158) 8.140 9.002 ( 0.870 -3.221 -22.038) 22.289 9.002 ( -0.870 -3.221 22.038) 22.289 10.227 ( 1.160 4.643 -8.750) 9.973 10.227 ( -1.160 4.643 8.750) 9.973 11.345 ( 8.610 4.539 -14.725) 17.651 11.345 ( -8.610 4.539 14.725) 17.651 12.166 ( -2.296 7.730 -21.148) 22.633 12.166 ( 2.296 7.730 21.148) 22.633 14.018 ( 6.841 -5.354 -5.533) 10.300 14.018 ( -6.841 -5.354 5.533) 10.300 15.291 ( -4.196 -2.797 -9.074) 10.381 15.291 ( 4.196 -2.797 9.074) 10.381 17.966 ( -23.854 1.655 -8.954) 25.533 17.966 ( 23.854 1.655 8.954) 25.533 19.103 ( -2.830 1.730 -5.084) 6.070 19.103 ( 2.830 1.730 5.084) 6.070 21.834 ( -20.434 -5.063 -29.716) 36.417 21.834 ( 20.433 -5.063 29.716) 36.417 24.113 ( -5.419 -0.889 -4.769) 7.273 24.113 ( 5.419 -0.889 4.769) 7.273 ======================= 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 7.23e-05 7.23e-05 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| 2.429 ( -4.760 15.507 -5.258) 17.051 2.429 ( 4.760 15.507 5.258) 17.051 2.952 ( -1.430 6.045 -9.876) 11.667 2.952 ( 1.430 6.045 9.876) 11.667 3.668 ( -2.597 1.669 -6.730) 7.405 3.668 ( 2.597 1.669 6.730) 7.405 4.514 ( -8.175 -1.577 -12.506) 15.024 4.514 ( 8.175 -1.577 12.506) 15.024 4.859 ( -2.457 -1.275 -15.230) 15.479 4.859 ( 2.457 -1.275 15.230) 15.479 5.665 ( 2.672 -3.402 -4.526) 6.261 5.665 ( -2.672 -3.402 4.526) 6.261 6.797 ( 5.734 9.500 -19.692) 22.603 6.797 ( -5.734 9.500 19.692) 22.603 8.252 ( -2.956 14.004 -11.867) 18.592 8.252 ( 2.956 14.004 11.867) 18.592 8.793 ( -4.107 11.056 0.855) 11.825 8.793 ( 4.107 11.056 -0.855) 11.825 10.018 ( -13.288 -7.651 -12.139) 19.557 10.018 ( 13.288 -7.651 12.139) 19.557 10.893 ( -7.099 9.658 -11.259) 16.445 10.893 ( 7.099 9.658 11.259) 16.445 12.075 ( -0.722 11.469 -8.836) 14.496 12.075 ( 0.722 11.469 8.836) 14.496 14.319 ( -5.873 -9.209 -14.282) 17.980 14.319 ( 5.873 -9.209 14.282) 17.980 15.085 ( -0.803 -7.751 -2.893) 8.312 15.085 ( 0.803 -7.751 2.893) 8.312 17.910 ( -3.131 -17.687 -13.874) 22.696 17.910 ( 3.131 -17.687 13.874) 22.696 19.810 ( 0.032 -2.279 -3.020) 3.783 19.810 ( -0.032 -2.279 3.020) 3.783 21.674 ( -26.292 -2.289 3.450) 26.616 21.674 ( 26.292 -2.289 -3.450) 26.616 24.147 ( -6.508 8.871 -2.069) 11.195 24.147 ( 6.508 8.871 2.069) 11.195 ======================= 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 7.23e-05 7.23e-05 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| 2.354 ( -0.373 13.201 -2.132) 13.377 2.618 ( 11.038 15.382 2.856) 19.146 2.876 ( -3.218 7.608 -9.193) 12.359 3.014 ( 2.952 3.931 2.643) 5.581 3.516 ( -9.965 0.599 -4.428) 10.921 3.667 ( -4.328 1.242 5.736) 7.292 4.317 ( -8.641 -4.279 -14.121) 17.099 4.687 ( 6.200 4.857 -6.892) 10.466 4.796 ( -0.653 -9.872 2.247) 10.145 4.992 ( 7.179 2.567 17.069) 18.695 5.639 ( -0.067 -1.797 2.277) 2.902 5.739 ( 4.918 -2.316 -4.783) 7.241 6.757 ( -3.092 9.650 19.778) 22.223 6.907 ( 9.954 6.386 -16.924) 20.647 8.109 ( -6.856 13.975 -5.330) 16.454 8.378 ( 3.631 15.575 3.817) 16.442 8.654 ( -1.747 9.348 5.371) 10.922 9.061 ( 14.931 10.016 -2.862) 18.205 9.691 ( -15.251 -6.709 -10.607) 19.751 10.292 ( 11.018 -7.526 9.980) 16.662 10.812 ( 1.691 9.780 -15.229) 18.177 11.142 ( 15.439 8.810 5.451) 18.593 11.875 ( -9.925 9.470 3.266) 14.102 12.270 ( 9.798 14.902 -5.233) 18.587 14.146 ( -7.808 -10.339 -10.454) 16.648 14.452 ( 2.558 -10.576 13.981) 17.717 14.967 ( -4.585 -4.228 0.279) 6.243 15.204 ( 5.599 -8.897 -3.316) 11.023 17.516 ( -17.094 -9.369 12.029) 22.906 18.401 ( 24.284 -25.310 1.257) 35.098 19.637 ( -12.084 -1.523 0.040) 12.180 19.847 ( -0.539 -2.469 -0.783) 2.646 21.145 ( -25.414 4.524 2.246) 25.910 22.163 ( 22.363 -6.204 -8.791) 24.817 23.988 ( -8.560 7.831 -1.790) 11.739 24.254 ( 3.779 7.823 0.527) 8.704 ======================= 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 7.23e-05 7.23e-05 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| 2.392 ( 4.246 8.716 -2.555) 10.026 2.731 ( -2.357 9.740 -13.900) 17.135 2.904 ( 9.837 12.040 8.893) 17.911 3.090 ( 4.860 0.719 -2.288) 5.419 3.286 ( -11.500 -0.802 -5.584) 12.809 3.555 ( -7.416 0.112 3.815) 8.341 4.114 ( -9.231 -7.578 -8.207) 14.491 4.596 ( -8.612 -2.817 -9.504) 13.131 4.958 ( 11.059 -2.806 5.409) 12.627 5.198 ( 9.537 4.180 13.776) 17.268 5.661 ( 1.523 1.574 0.839) 2.345 5.821 ( 4.066 0.397 -5.093) 6.529 6.766 ( -0.082 7.514 17.887) 19.401 7.110 ( 13.378 3.036 -12.187) 18.350 7.962 ( -6.788 11.957 -3.073) 14.088 8.366 ( -4.003 17.843 -0.263) 18.289 8.759 ( 7.861 6.672 8.120) 13.124 9.221 ( -5.146 -1.205 -8.862) 10.318 9.525 ( 8.379 3.304 -3.345) 9.608 10.497 ( 7.389 -6.281 8.055) 12.607 10.869 ( 7.363 10.885 -16.503) 21.096 11.469 ( 14.405 3.170 -5.599) 15.777 11.740 ( -2.799 12.951 13.874) 19.185 12.429 ( 7.930 18.187 -11.024) 22.698 13.972 ( -7.401 -11.961 -8.220) 16.292 14.439 ( -7.044 -12.544 12.253) 18.897 14.946 ( 2.334 -0.620 2.147) 3.231 15.282 ( 3.142 -8.885 -4.754) 10.556 17.310 ( -6.721 -2.353 16.107) 17.611 18.776 ( 10.999 -27.181 0.645) 29.329 19.356 ( -15.632 0.726 -1.762) 15.748 19.832 ( -0.508 -2.969 3.401) 4.543 20.745 ( -13.807 8.952 5.175) 17.250 22.470 ( 10.431 -6.281 -16.694) 20.663 23.834 ( -5.788 3.974 1.691) 7.222 24.299 ( 0.870 5.605 -1.130) 5.783 ======================= 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 7.23e-05 7.23e-05 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| 2.475 ( 3.998 3.744 -8.471) 10.088 2.667 ( 0.956 7.804 -5.460) 9.572 3.015 ( -9.582 -1.328 -1.090) 9.735 3.144 ( 6.512 9.357 4.157) 12.134 3.207 ( 6.172 -3.248 -4.986) 8.573 3.422 ( -5.006 -2.137 0.894) 5.516 3.923 ( -8.629 -8.821 -2.845) 12.663 4.371 ( -11.996 -6.232 -4.530) 14.257 5.191 ( 11.075 1.234 3.682) 11.736 5.411 ( 9.064 4.959 8.288) 13.245 5.689 ( 0.936 4.815 0.248) 4.912 5.863 ( 1.200 3.332 -4.613) 5.816 6.843 ( 4.114 5.612 15.589) 17.071 7.329 ( 9.201 3.112 -8.365) 12.819 7.850 ( -3.070 8.234 -0.489) 8.801 8.261 ( -5.849 15.065 -3.632) 16.563 8.895 ( 1.903 1.773 6.993) 7.461 9.039 ( -5.236 -2.286 -6.739) 8.835 9.814 ( 16.589 7.639 -2.507) 18.435 10.586 ( -0.254 -3.041 2.517) 3.956 11.029 ( 12.044 9.969 -11.068) 19.156 11.548 ( -0.754 2.442 0.982) 2.738 11.941 ( 14.193 13.379 11.221) 22.501 12.519 ( 4.155 19.562 -17.271) 26.424 13.832 ( -4.671 -12.526 -5.739) 14.548 14.267 ( -11.808 -10.533 9.495) 18.454 15.031 ( 4.492 -1.613 5.097) 6.983 15.304 ( 0.326 -8.098 -5.963) 10.062 17.333 ( 5.383 2.002 15.980) 16.980 18.826 ( -5.010 -13.984 -3.566) 15.276 19.032 ( -14.392 -1.408 -2.817) 14.733 19.756 ( -10.546 2.542 0.908) 10.886 20.746 ( 12.041 -0.018 18.057) 21.703 22.464 ( -6.112 -4.827 -25.209) 26.384 23.810 ( 2.554 -0.936 6.545) 7.088 24.284 ( -1.873 3.009 -2.810) 4.523 ======================= 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 7.23e-05 7.23e-05 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| 2.509 ( 3.331 2.073 -9.422) 10.206 2.738 ( -0.432 2.677 0.759) 2.816 2.828 ( -1.698 -1.264 -1.491) 2.589 3.156 ( -7.919 1.504 -0.025) 8.060 3.309 ( 7.809 -4.136 -2.013) 9.063 3.468 ( 5.230 -5.963 2.570) 8.337 3.785 ( -3.144 -5.223 -1.312) 6.236 4.116 ( -12.860 -6.137 -1.565) 14.335 5.399 ( 8.899 3.799 3.971) 10.460 5.566 ( 4.286 4.750 1.019) 6.479 5.704 ( 1.260 7.326 1.996) 7.697 5.845 ( -2.000 5.511 -3.714) 6.940 6.995 ( 7.754 5.209 13.220) 16.187 7.359 ( -4.155 6.178 -8.239) 11.105 7.878 ( 4.957 4.528 2.395) 7.128 8.129 ( -6.158 10.065 -5.503) 13.019 8.885 ( 0.362 -4.883 0.292) 4.906 9.004 ( -1.573 2.203 0.736) 2.805 10.111 ( 13.778 7.947 -2.881) 16.165 10.512 ( -6.769 1.816 0.362) 7.018 11.266 ( 12.919 7.845 -6.719) 16.540 11.536 ( -2.024 4.995 7.121) 8.931 12.211 ( 10.057 11.896 11.316) 19.254 12.505 ( -1.174 17.431 -20.440) 26.889 13.784 ( 1.364 -10.996 -4.605) 11.999 14.049 ( -11.686 -8.715 7.916) 16.588 15.127 ( 3.799 -3.319 6.486) 8.217 15.273 ( -1.771 -6.658 -6.792) 9.675 17.587 ( 16.578 3.322 12.492) 21.022 18.494 ( -23.038 0.868 -4.972) 23.585 18.963 ( 5.295 -4.321 -2.233) 7.190 19.465 ( -16.603 6.472 -1.615) 17.893 21.174 ( 22.869 -7.642 26.362) 35.726 22.158 ( -17.321 -6.002 -28.753) 34.099 23.932 ( 7.050 -2.527 7.382) 10.516 24.213 ( -4.528 0.540 -4.515) 6.417 ======================= 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 7.23e-05 7.23e-05 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| 2.600 ( 1.298 0.505 -1.407) 1.980 2.600 ( -1.298 0.505 1.407) 1.980 2.973 ( -5.819 -0.311 -5.383) 7.933 2.973 ( 5.819 -0.311 5.383) 7.933 3.452 ( 2.383 -8.013 -10.562) 13.470 3.452 ( -2.383 -8.013 10.562) 13.470 3.874 ( -5.876 -3.345 -3.068) 7.425 3.874 ( 5.876 -3.345 3.068) 7.425 5.547 ( -4.144 4.979 -4.630) 7.962 5.547 ( 4.144 4.979 4.630) 7.962 5.775 ( -3.402 6.949 -4.396) 8.899 5.775 ( 3.402 6.949 4.396) 8.899 7.193 ( -8.924 5.948 -10.643) 15.109 7.193 ( 8.924 5.948 10.643) 15.109 7.999 ( -1.418 6.027 -13.830) 15.152 7.999 ( 1.418 6.027 13.830) 15.152 8.941 ( 0.442 -1.916 -9.495) 9.697 8.941 ( -0.442 -1.916 9.495) 9.697 10.343 ( 0.520 6.020 -14.990) 16.162 10.343 ( -0.520 6.020 14.990) 16.162 11.462 ( 3.949 6.468 -18.746) 20.220 11.462 ( -3.950 6.468 18.746) 20.220 12.394 ( -5.421 13.607 -17.414) 22.755 12.394 ( 5.421 13.607 17.414) 22.755 13.866 ( 7.886 -8.912 -6.010) 13.332 13.866 ( -7.886 -8.912 6.010) 13.332 15.209 ( -2.853 -4.942 -7.219) 9.203 15.209 ( 2.853 -4.942 7.219) 9.203 18.012 ( -22.860 2.617 -8.416) 24.501 18.012 ( 22.860 2.617 8.416) 24.501 19.154 ( -10.644 3.101 -2.494) 11.364 19.154 ( 10.644 3.101 2.494) 11.364 21.693 ( -22.388 -8.098 -28.963) 37.492 21.693 ( 22.388 -8.098 28.963) 37.492 24.088 ( -6.617 -1.498 -6.300) 9.259 24.088 ( 6.617 -1.498 6.300) 9.259 ======================= 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 7.23e-05 7.23e-05 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| 2.750 ( -2.695 14.550 -6.236) 16.058 2.750 ( 2.695 14.550 6.236) 16.058 3.033 ( -2.012 1.965 -8.762) 9.202 3.033 ( 2.012 1.965 8.762) 9.202 3.746 ( -0.187 4.965 -8.719) 10.036 3.746 ( 0.187 4.965 8.719) 10.036 4.423 ( -8.680 -6.183 -13.238) 16.994 4.423 ( 8.680 -6.183 13.238) 16.994 4.877 ( -5.057 2.471 -14.405) 15.465 4.877 ( 5.057 2.471 14.405) 15.465 5.581 ( 2.705 -4.405 -7.963) 9.494 5.581 ( -2.705 -4.405 7.963) 9.494 6.992 ( 4.107 8.587 -22.767) 24.677 6.992 ( -4.107 8.587 22.767) 24.677 8.491 ( 0.737 8.110 -12.466) 14.891 8.491 ( -0.737 8.110 12.466) 14.891 9.063 ( -3.205 14.480 -6.253) 16.095 9.063 ( 3.205 14.480 6.253) 16.095 9.857 ( -13.192 -7.780 -8.047) 17.301 9.857 ( 13.192 -7.780 8.047) 17.301 11.048 ( -5.500 5.051 -8.006) 10.948 11.048 ( 5.500 5.051 8.006) 10.948 12.393 ( -7.549 18.450 -2.907) 20.146 12.393 ( 7.549 18.450 2.907) 20.146 14.057 ( -5.879 -15.766 -13.200) 21.387 14.057 ( 5.879 -15.766 13.200) 21.387 14.938 ( -0.369 -5.871 -4.018) 7.124 14.938 ( 0.369 -5.871 4.018) 7.124 17.568 ( 3.540 -14.178 -19.822) 24.626 17.568 ( -3.540 -14.178 19.822) 24.627 19.769 ( 1.477 -1.524 -3.940) 4.475 19.769 ( -1.477 -1.524 3.940) 4.475 21.641 ( -21.416 -0.960 1.767) 21.510 21.641 ( 21.416 -0.960 -1.767) 21.510 24.301 ( -6.236 5.743 -2.262) 8.774 24.301 ( 6.236 5.743 2.262) 8.774 ======================= 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 7.23e-05 7.23e-05 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 ( -3.174 14.270 0.058) 14.619 2.913 ( 6.846 10.451 -6.364) 14.021 2.974 ( -0.175 3.732 -2.275) 4.374 3.082 ( 1.238 2.603 5.896) 6.563 3.616 ( -9.815 8.469 -3.499) 13.427 3.697 ( -6.762 1.225 4.648) 8.297 4.176 ( -12.075 -8.524 -10.248) 17.986 4.564 ( -1.253 -11.443 3.552) 12.046 4.823 ( 5.598 7.456 -9.113) 13.038 5.052 ( 9.154 2.595 12.574) 15.768 5.597 ( 2.668 -2.183 6.653) 7.493 5.669 ( 6.990 -4.173 -6.928) 10.690 6.957 ( -4.708 8.910 22.032) 24.228 7.037 ( 6.386 5.683 -20.719) 22.413 8.382 ( -7.040 11.277 -3.633) 13.782 8.600 ( 7.184 5.330 -2.075) 9.183 8.901 ( -5.185 13.702 0.980) 14.683 9.290 ( 8.050 10.344 -0.171) 13.108 9.571 ( -9.678 -3.297 -4.513) 11.176 10.134 ( 11.948 -7.762 7.345) 16.030 10.998 ( 2.776 7.583 -12.201) 14.632 11.243 ( 12.403 1.449 0.005) 12.487 12.194 ( -8.269 20.484 2.951) 22.286 12.624 ( 11.676 18.134 -0.975) 21.590 13.873 ( -9.115 -15.514 -10.346) 20.756 14.162 ( 0.800 -16.796 12.574) 20.996 14.898 ( -0.293 -2.497 -0.061) 2.515 15.016 ( 4.236 -8.404 -1.306) 9.501 17.354 ( -8.482 -5.468 13.041) 16.490 17.898 ( 18.386 -21.690 -1.682) 28.484 19.629 ( -10.192 0.391 1.230) 10.273 19.792 ( -0.904 -2.689 -1.898) 3.413 21.233 ( -19.253 3.683 1.540) 19.662 22.052 ( 19.587 -4.321 -4.882) 20.644 24.123 ( -10.730 4.955 -2.105) 12.005 24.391 ( 2.227 5.110 0.644) 5.612 ======================= 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 7.23e-05 7.23e-05 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 ( -0.827 11.968 -0.584) 12.011 2.863 ( -2.701 2.390 -16.836) 17.218 3.081 ( 1.683 -0.569 1.994) 2.671 3.139 ( 3.866 10.061 10.246) 14.871 3.398 ( -9.050 11.248 -4.478) 15.116 3.532 ( -10.088 -2.607 1.038) 10.471 3.924 ( -11.064 -10.287 -4.276) 15.701 4.409 ( -11.313 -12.980 -3.475) 17.565 5.024 ( 12.937 7.034 -1.621) 14.815 5.279 ( 10.817 3.135 9.711) 14.871 5.690 ( 4.547 0.999 5.799) 7.436 5.800 ( 7.215 -2.158 -6.460) 9.922 6.925 ( -2.429 7.320 18.545) 20.085 7.170 ( 11.394 2.379 -17.188) 20.758 8.202 ( -9.859 10.247 -2.664) 14.467 8.671 ( -3.088 9.217 -5.267) 11.055 8.893 ( 4.904 7.313 1.923) 9.013 9.165 ( -11.450 -3.043 -3.576) 12.375 9.689 ( 14.501 11.168 1.238) 18.345 10.359 ( 9.039 -7.035 6.263) 13.055 11.075 ( 6.920 8.047 -10.761) 15.115 11.488 ( 12.006 0.236 -10.159) 15.729 12.122 ( 0.752 22.168 8.884) 23.893 12.832 ( 9.612 19.477 -4.598) 22.201 13.668 ( -8.980 -16.684 -8.132) 20.619 14.141 ( -5.289 -15.918 11.007) 20.063 14.925 ( 2.570 -1.288 1.468) 3.228 15.087 ( 3.184 -9.166 -2.521) 10.025 17.297 ( -0.776 1.481 17.488) 17.568 18.243 ( 15.997 -23.112 -1.283) 28.137 19.380 ( -15.249 1.263 -0.006) 15.301 19.771 ( -0.105 -2.737 1.830) 3.294 20.912 ( -13.185 6.839 3.513) 15.263 22.345 ( 10.644 -5.309 -11.969) 16.874 23.899 ( -10.400 2.245 0.970) 10.683 24.398 ( -1.345 3.723 -0.924) 4.065 ======================= 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 7.23e-05 7.23e-05 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| 2.590 ( -1.267 7.298 -5.885) 9.460 2.795 ( 0.045 3.036 -10.728) 11.149 3.013 ( -9.666 0.333 -2.567) 10.007 3.155 ( 0.058 3.030 4.473) 5.403 3.321 ( -10.705 -7.014 -1.274) 12.862 3.375 ( 3.774 9.565 2.784) 10.653 3.745 ( -6.285 -8.207 0.806) 10.368 4.165 ( -11.726 -12.415 -3.435) 17.420 5.277 ( 12.344 5.998 0.972) 13.758 5.502 ( 9.501 3.450 5.419) 11.469 5.784 ( 3.562 3.993 4.684) 7.111 5.903 ( 4.196 0.551 -5.161) 6.674 6.967 ( 3.031 6.102 15.396) 16.836 7.382 ( 12.276 1.507 -13.989) 18.672 8.007 ( -8.450 6.112 -2.229) 10.665 8.502 ( -10.760 6.787 -5.215) 13.749 8.908 ( -5.730 2.922 10.901) 12.657 9.074 ( 2.974 2.715 -12.037) 12.693 9.997 ( 15.625 9.675 0.880) 18.399 10.501 ( 3.811 -4.760 4.378) 7.507 11.215 ( 9.057 6.829 -2.110) 11.538 11.634 ( 5.844 5.724 -13.493) 15.779 12.264 ( 9.836 17.667 9.269) 22.244 12.948 ( 2.676 21.014 -10.160) 23.494 13.516 ( -3.678 -17.680 -4.833) 18.694 14.021 ( -8.756 -13.034 8.913) 18.055 14.989 ( 3.016 -2.273 3.166) 4.928 15.125 ( 1.351 -8.478 -3.476) 9.262 17.402 ( 7.387 4.551 17.358) 19.406 18.516 ( 12.466 -14.369 -2.791) 19.227 19.031 ( -19.107 0.455 -1.853) 19.202 19.768 ( -3.470 -0.733 2.794) 4.515 20.790 ( 1.261 3.585 12.259) 12.835 22.356 ( -6.375 -5.088 -22.778) 24.195 23.785 ( -1.008 -1.329 7.476) 7.659 24.338 ( -4.211 2.038 -2.812) 5.458 ======================= 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 7.23e-05 7.23e-05 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| 2.557 ( 0.629 2.826 -7.263) 7.818 2.782 ( -9.135 -0.942 -3.628) 9.874 2.834 ( 2.922 3.717 -2.636) 5.414 3.111 ( -9.570 -5.533 1.615) 11.172 3.211 ( 4.304 -4.127 -3.285) 6.808 3.402 ( -3.224 -0.910 6.426) 7.246 3.704 ( 2.068 -2.561 1.515) 3.623 3.952 ( -8.972 -8.674 -2.700) 12.768 5.501 ( 9.548 5.286 2.584) 11.215 5.651 ( 4.150 3.205 0.357) 5.255 5.851 ( 2.449 6.199 4.109) 7.829 5.937 ( 0.309 3.182 -3.714) 4.901 7.111 ( 7.999 5.727 12.821) 16.161 7.486 ( -1.637 5.602 -10.534) 12.042 7.932 ( 3.791 0.078 -4.747) 6.075 8.276 ( -10.721 4.013 -0.801) 11.476 8.865 ( -0.578 2.935 13.067) 13.405 9.053 ( -2.536 2.036 -14.526) 14.885 10.277 ( 12.091 7.699 -0.742) 14.353 10.530 ( -1.526 0.044 3.366) 3.696 11.416 ( 10.048 5.871 6.817) 13.487 11.673 ( 0.964 7.958 -12.606) 14.939 12.484 ( 9.645 13.917 8.891) 19.125 12.873 ( -6.528 16.521 -13.051) 22.042 13.530 ( 5.461 -12.377 -3.871) 14.071 13.851 ( -10.021 -10.164 7.326) 16.043 15.051 ( 2.383 -3.708 4.074) 6.002 15.126 ( -0.264 -7.000 -4.103) 8.118 17.666 ( 15.788 4.001 12.607) 20.596 18.510 ( -19.621 0.622 -2.020) 19.735 18.885 ( 13.117 -3.115 -3.245) 13.867 19.577 ( -15.288 4.150 -1.000) 15.873 21.041 ( 18.139 -4.749 23.679) 30.204 22.023 ( -19.593 -6.455 -28.456) 35.147 23.878 ( 7.028 -2.458 9.475) 12.050 24.221 ( -6.685 0.255 -5.121) 8.425 ======================= 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 7.23e-05 7.23e-05 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| 2.612 ( -1.321 0.509 -1.980) 2.434 2.612 ( 1.321 0.509 1.980) 2.434 2.944 ( -2.484 -2.061 -1.774) 3.683 2.944 ( 2.484 -2.061 1.774) 3.683 3.311 ( 6.139 -5.456 -5.009) 9.620 3.311 ( -6.139 -5.456 5.009) 9.620 3.798 ( -3.988 -3.480 -4.706) 7.083 3.798 ( 3.988 -3.480 4.706) 7.083 5.647 ( -3.710 4.205 -3.105) 6.410 5.647 ( 3.710 4.205 3.105) 6.410 5.907 ( -1.923 5.448 -3.864) 6.950 5.907 ( 1.923 5.448 3.864) 6.950 7.321 ( -9.612 6.027 -10.938) 15.759 7.321 ( 9.612 6.027 10.938) 15.759 8.079 ( 2.393 1.364 -17.502) 17.717 8.079 ( -2.393 1.364 17.502) 17.717 8.940 ( -2.973 1.630 -18.235) 18.548 8.940 ( 2.973 1.630 18.235) 18.548 10.458 ( 1.978 4.770 -17.041) 17.807 10.458 ( -1.978 4.770 17.041) 17.807 11.601 ( -2.056 6.571 -20.276) 21.413 11.601 ( 2.056 6.571 20.276) 21.413 12.686 ( -8.731 13.478 -11.635) 19.831 12.686 ( 8.731 13.478 11.635) 19.831 13.672 ( 9.260 -9.140 -5.722) 14.214 13.672 ( -9.260 -9.140 5.722) 14.214 15.099 ( -1.085 -5.307 -5.167) 7.486 15.099 ( 1.085 -5.307 5.167) 7.486 18.065 ( -21.442 2.352 -7.014) 22.683 18.065 ( 21.442 2.352 7.014) 22.683 19.224 ( -18.246 3.351 -0.864) 18.571 19.224 ( 18.246 3.351 0.864) 18.571 21.523 ( -23.078 -7.614 -28.442) 37.410 21.523 ( 23.078 -7.614 28.442) 37.410 24.056 ( -8.200 -1.436 -7.800) 11.408 24.056 ( 8.200 -1.436 7.800) 11.408 ======================= 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 7.23e-05 7.23e-05 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| 2.977 ( -0.425 5.818 -11.743) 13.113 2.977 ( 0.425 5.818 11.743) 13.113 3.057 ( -2.478 1.043 -6.018) 6.591 3.057 ( 2.477 1.043 6.018) 6.591 3.825 ( 0.694 1.949 -11.970) 12.147 3.825 ( -0.694 1.949 11.970) 12.147 4.315 ( -1.731 -3.160 -7.940) 8.720 4.315 ( 1.731 -3.160 7.940) 8.720 4.929 ( -2.352 1.786 -6.271) 6.931 4.929 ( 2.352 1.786 6.271) 6.931 5.503 ( 2.045 -2.448 -12.523) 12.922 5.503 ( -2.045 -2.448 12.523) 12.922 7.123 ( 2.804 3.511 -24.802) 25.206 7.123 ( -2.804 3.511 24.802) 25.206 8.590 ( 0.728 1.985 -8.047) 8.320 8.590 ( -0.728 1.985 8.047) 8.320 9.341 ( 4.492 10.460 -13.578) 17.719 9.341 ( -4.492 10.460 13.578) 17.719 9.699 ( -12.353 -6.808 -6.280) 15.440 9.699 ( 12.353 -6.808 6.280) 15.440 11.110 ( -2.422 1.344 -2.337) 3.624 11.110 ( 2.422 1.344 2.337) 3.624 12.761 ( -6.895 13.636 -1.155) 15.324 12.761 ( 6.895 13.636 1.155) 15.324 13.729 ( -4.352 -12.614 -7.584) 15.348 13.729 ( 4.352 -12.614 7.584) 15.348 14.855 ( 0.840 -2.043 -4.956) 5.426 14.855 ( -0.840 -2.043 4.956) 5.426 17.361 ( 6.269 -5.251 -22.280) 23.733 17.361 ( -6.269 -5.251 22.280) 23.733 19.748 ( 2.199 -0.515 -4.308) 4.864 19.748 ( -2.199 -0.515 4.308) 4.864 21.630 ( -18.543 -0.212 1.029) 18.573 21.630 ( 18.543 -0.212 -1.029) 18.573 24.380 ( -6.506 1.881 -2.300) 7.152 24.380 ( 6.506 1.881 2.300) 7.152 ======================= 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 7.23e-05 7.23e-05 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| 2.892 ( -3.491 7.709 -0.427) 8.474 2.965 ( -3.370 -0.290 -6.064) 6.944 3.052 ( 1.192 0.601 3.785) 4.013 3.191 ( 8.008 5.626 2.325) 10.059 3.711 ( -8.801 1.057 -8.872) 12.542 3.767 ( -7.140 2.117 7.440) 10.527 4.056 ( -15.529 -0.130 -0.631) 15.543 4.337 ( -5.736 -9.140 -5.474) 12.100 4.976 ( 7.747 6.237 -2.997) 10.387 5.074 ( 9.890 -0.873 6.552) 11.895 5.560 ( 4.695 -0.975 10.886) 11.895 5.589 ( 8.244 -2.820 -9.577) 12.948 7.095 ( -5.475 3.807 23.075) 24.020 7.122 ( 3.681 2.163 -22.539) 22.940 8.543 ( -5.001 3.976 -6.618) 9.198 8.653 ( 6.289 0.788 0.370) 6.349 9.154 ( -8.159 10.103 1.052) 13.029 9.326 ( -11.710 -5.460 -4.550) 13.699 9.672 ( 11.953 9.702 -5.082) 16.212 9.969 ( 12.063 -7.750 9.584) 17.246 11.116 ( 3.078 3.539 -4.851) 6.748 11.238 ( 10.919 -1.093 -4.921) 12.026 12.643 ( -4.451 20.082 0.346) 20.572 12.913 ( 7.724 4.613 1.213) 9.078 13.599 ( -6.676 -5.502 -6.329) 10.719 13.799 ( 0.763 -16.430 7.355) 18.017 14.861 ( 1.065 -1.011 2.513) 2.911 14.889 ( 2.701 -3.270 -2.051) 4.711 17.309 ( -1.908 0.852 20.753) 20.858 17.551 ( 14.230 -10.749 -10.281) 20.585 19.642 ( -9.077 0.613 2.732) 9.499 19.746 ( -1.177 -1.385 -3.140) 3.628 21.287 ( -16.024 1.423 1.192) 16.131 21.991 ( 17.603 -1.508 -2.855) 17.897 24.190 ( -11.913 1.605 -2.548) 12.288 24.461 ( 1.416 1.670 0.974) 2.396 ======================= 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 7.23e-05 7.23e-05 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| 2.836 ( -2.459 6.990 0.139) 7.411 2.879 ( -3.467 0.746 -10.225) 10.823 3.056 ( -1.195 -0.619 0.766) 1.549 3.322 ( 0.422 3.713 5.155) 6.367 3.482 ( -9.844 1.010 -6.801) 12.007 3.618 ( -7.360 3.396 2.158) 8.388 3.756 ( -14.013 -0.669 3.700) 14.509 4.134 ( -11.538 -11.594 -6.558) 17.622 5.166 ( 11.062 5.065 -0.905) 12.199 5.314 ( 12.162 0.279 5.384) 13.303 5.702 ( 6.512 0.254 9.988) 11.926 5.751 ( 9.498 -1.839 -8.630) 12.964 7.046 ( -3.380 3.653 19.490) 20.115 7.197 ( 9.247 0.262 -21.134) 23.070 8.354 ( -11.994 3.933 -4.236) 13.314 8.756 ( -1.893 1.100 1.626) 2.727 9.033 ( -0.040 4.124 -9.479) 10.337 9.118 ( -7.644 -1.208 2.227) 8.053 9.926 ( 13.978 9.931 -6.069) 18.190 10.208 ( 9.777 -7.007 11.014) 16.310 11.184 ( 4.398 2.483 -1.013) 5.151 11.498 ( 16.382 0.579 -14.947) 22.184 12.599 ( -0.135 22.061 2.179) 22.169 13.057 ( 6.238 -7.441 0.329) 9.715 13.454 ( -6.283 6.112 -5.153) 10.168 13.794 ( -2.691 -17.043 6.260) 18.355 14.901 ( 2.059 -0.815 3.305) 3.978 14.942 ( 2.980 -3.943 -2.408) 5.497 17.365 ( 2.081 3.860 23.437) 23.843 17.868 ( 19.755 -11.507 -7.589) 24.089 19.401 ( -15.767 0.612 1.275) 15.830 19.728 ( 0.378 -1.157 0.679) 1.394 21.013 ( -12.073 2.618 2.958) 12.703 22.266 ( 10.161 -2.053 -9.240) 13.887 23.928 ( -12.939 0.641 0.357) 12.960 24.449 ( -2.470 1.218 -0.687) 2.839 ======================= 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 7.23e-05 7.23e-05 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| 2.754 ( -5.985 7.074 -3.316) 9.842 2.811 ( -0.500 -0.275 -11.908) 11.921 3.005 ( -4.332 0.498 -2.631) 5.093 3.133 ( -11.788 -9.028 -4.052) 15.391 3.329 ( -9.161 10.720 9.054) 16.757 3.528 ( -10.505 -1.349 5.887) 12.117 3.608 ( 4.111 0.011 -0.641) 4.160 3.916 ( -8.118 -9.717 -4.679) 13.499 5.387 ( 10.986 3.503 0.976) 11.572 5.547 ( 9.824 0.952 3.152) 10.361 5.843 ( 5.467 1.516 7.212) 9.176 5.898 ( 6.632 -0.557 -5.993) 8.956 7.075 ( 2.575 3.503 15.234) 15.843 7.385 ( 13.761 -0.711 -18.966) 23.443 8.090 ( -13.000 1.905 -3.509) 13.600 8.570 ( -13.127 1.200 5.095) 14.132 8.994 ( -5.692 3.146 10.951) 12.737 9.107 ( 4.911 0.586 -21.582) 22.142 10.185 ( 13.493 7.338 -6.000) 16.490 10.398 ( 6.563 -4.788 12.194) 14.652 11.301 ( 7.273 1.816 6.870) 10.168 11.745 ( 11.322 3.633 -21.364) 24.450 12.647 ( 4.127 18.096 3.211) 18.836 13.127 ( -0.165 -18.381 -1.905) 18.480 13.363 ( -0.537 18.511 -3.476) 18.843 13.729 ( -4.920 -15.227 4.691) 16.676 14.950 ( 1.962 -1.142 3.682) 4.326 14.988 ( 2.179 -3.854 -2.711) 5.192 17.496 ( 6.594 3.374 19.693) 21.040 18.282 ( 22.980 -6.876 -4.193) 24.351 19.040 ( -20.207 0.254 -0.821) 20.225 19.749 ( -0.537 -0.676 3.199) 3.314 20.857 ( -3.570 2.085 9.736) 10.577 22.276 ( -7.057 -2.221 -21.176) 22.432 23.763 ( -3.035 -0.639 7.773) 8.369 24.366 ( -5.445 0.663 -2.847) 6.180 ======================= 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 7.23e-05 7.23e-05 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| 2.634 ( -3.896 4.580 -5.505) 8.153 2.735 ( -6.331 -3.551 -8.173) 10.931 2.896 ( -1.805 1.292 -3.071) 3.789 2.986 ( -4.494 -4.249 0.859) 6.243 3.216 ( -3.039 4.166 3.790) 6.400 3.347 ( -8.606 -4.864 4.878) 11.023 3.690 ( 3.435 1.034 1.004) 3.725 3.801 ( -3.346 -5.015 -2.085) 6.380 5.587 ( 8.434 2.461 2.031) 9.017 5.695 ( 4.328 1.034 0.368) 4.465 5.942 ( 3.105 2.336 4.702) 6.100 5.977 ( 2.526 0.843 -3.725) 4.579 7.212 ( 7.835 3.180 11.719) 14.451 7.567 ( 3.196 1.828 -14.005) 14.481 7.904 ( 0.226 -1.498 -7.300) 7.456 8.324 ( -13.445 1.039 9.338) 16.402 8.940 ( -2.446 2.650 16.260) 16.655 9.079 ( -1.682 0.528 -25.179) 25.241 10.410 ( 10.071 4.548 -7.247) 13.215 10.515 ( 2.241 -1.406 12.159) 12.443 11.499 ( 9.680 2.037 14.284) 17.375 11.819 ( 1.165 4.604 -21.962) 22.470 12.759 ( 6.103 11.680 3.741) 13.699 13.045 ( -6.166 -3.892 -4.151) 8.390 13.416 ( 5.173 6.058 -2.447) 8.334 13.631 ( -5.748 -11.169 3.499) 13.040 14.990 ( 1.218 -1.763 3.630) 4.216 15.013 ( 0.946 -3.190 -3.040) 4.507 17.733 ( 14.046 1.926 12.296) 18.767 18.519 ( -16.098 0.177 0.519) 16.107 18.839 ( 17.998 -1.201 -4.072) 18.492 19.632 ( -12.653 1.232 -0.133) 12.713 20.982 ( 12.838 -1.172 21.798) 25.325 21.919 ( -21.105 -2.940 -28.422) 35.523 23.840 ( 7.139 -1.014 10.704) 12.906 24.224 ( -7.934 0.039 -5.606) 9.715 ======================= 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 7.23e-05 7.23e-05 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| 2.614 ( -0.448 -0.184 -3.722) 3.754 2.614 ( 0.448 -0.184 3.722) 3.754 2.915 ( 3.088 -0.539 -2.870) 4.250 2.915 ( -3.088 -0.539 2.870) 4.250 3.229 ( 0.209 -2.281 -1.813) 2.921 3.229 ( -0.209 -2.281 1.813) 2.921 3.747 ( -1.698 -1.258 -2.130) 3.000 3.747 ( 1.698 -1.258 2.130) 3.000 5.708 ( -2.786 1.547 -1.801) 3.661 5.708 ( 2.786 1.547 1.801) 3.661 5.987 ( -0.556 2.027 -3.223) 3.848 5.987 ( 0.556 2.027 3.223) 3.848 7.420 ( -10.009 2.866 -9.797) 14.296 7.420 ( 10.009 2.866 9.797) 14.296 8.076 ( 10.654 -0.735 -13.433) 17.161 8.076 ( -10.654 -0.735 13.433) 17.161 8.979 ( -1.485 1.344 -23.308) 23.394 8.979 ( 1.485 1.344 23.308) 23.394 10.528 ( 3.361 1.820 -16.942) 17.368 10.528 ( -3.361 1.820 16.942) 17.368 11.709 ( -6.492 3.159 -19.925) 21.193 11.709 ( 6.491 3.159 19.925) 21.193 12.900 ( -7.013 5.957 -4.571) 10.274 12.900 ( 7.013 5.957 4.571) 10.274 13.523 ( 3.220 -4.345 -2.760) 6.071 13.523 ( -3.220 -4.345 2.760) 6.071 15.013 ( -0.028 -2.467 -4.074) 4.762 15.013 ( 0.028 -2.467 4.074) 4.762 18.101 ( -20.603 0.934 -5.478) 21.339 18.101 ( 20.603 0.934 5.478) 21.339 19.278 ( -21.781 1.542 -0.475) 21.841 19.278 ( 21.781 1.542 0.475) 21.841 21.406 ( -22.398 -3.185 -28.379) 36.293 21.406 ( 22.398 -3.185 28.379) 36.293 24.034 ( -9.320 -0.595 -8.685) 12.753 24.034 ( 9.320 -0.595 8.685) 12.753 =================== 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 2425.825 3457.447 2890.095 0.000 778.476 0.000 3/32400 20.0 660.778 482.244 693.582 0.000 146.375 0.000 3/32400 30.0 248.573 158.352 248.665 0.000 48.685 0.000 3/32400 40.0 128.155 80.067 127.712 0.000 24.237 0.000 3/32400 50.0 79.890 49.744 80.086 0.000 14.998 0.000 3/32400 60.0 55.846 34.770 56.428 0.000 10.452 0.000 3/32400 70.0 42.050 26.217 42.823 0.000 7.835 0.000 3/32400 80.0 33.341 20.839 34.202 0.000 6.172 0.000 3/32400 90.0 27.453 17.215 28.350 0.000 5.041 0.000 3/32400 100.0 23.261 14.641 24.164 0.000 4.234 0.000 3/32400 110.0 20.155 12.735 21.045 0.000 3.634 0.000 3/32400 120.0 17.776 11.274 18.643 0.000 3.176 0.000 3/32400 130.0 15.907 10.122 16.742 0.000 2.815 0.000 3/32400 140.0 14.404 9.192 15.203 0.000 2.526 0.000 3/32400 150.0 13.172 8.426 13.933 0.000 2.290 0.000 3/32400 160.0 12.147 7.784 12.867 0.000 2.094 0.000 3/32400 170.0 11.280 7.238 11.961 0.000 1.929 0.000 3/32400 180.0 10.539 6.768 11.180 0.000 1.789 0.000 3/32400 190.0 9.898 6.359 10.501 0.000 1.669 0.000 3/32400 200.0 9.338 5.999 9.904 0.000 1.564 0.000 3/32400 210.0 8.844 5.680 9.376 0.000 1.473 0.000 3/32400 220.0 8.405 5.395 8.904 0.000 1.392 0.000 3/32400 230.0 8.012 5.139 8.480 0.000 1.321 0.000 3/32400 240.0 7.658 4.907 8.097 0.000 1.257 0.000 3/32400 250.0 7.337 4.696 7.749 0.000 1.199 0.000 3/32400 260.0 7.044 4.503 7.432 0.000 1.147 0.000 3/32400 270.0 6.776 4.327 7.140 0.000 1.099 0.000 3/32400 280.0 6.529 4.164 6.872 0.000 1.056 0.000 3/32400 290.0 6.301 4.013 6.624 0.000 1.016 0.000 3/32400 300.0 6.090 3.874 6.395 0.000 0.980 0.000 3/32400 310.0 5.894 3.744 6.181 0.000 0.946 0.000 3/32400 320.0 5.710 3.623 5.982 0.000 0.915 0.000 3/32400 330.0 5.538 3.509 5.795 0.000 0.886 0.000 3/32400 340.0 5.377 3.403 5.621 0.000 0.858 0.000 3/32400 350.0 5.226 3.303 5.456 0.000 0.833 0.000 3/32400 360.0 5.083 3.209 5.302 0.000 0.809 0.000 3/32400 370.0 4.948 3.120 5.156 0.000 0.787 0.000 3/32400 380.0 4.821 3.037 5.019 0.000 0.765 0.000 3/32400 390.0 4.700 2.957 4.888 0.000 0.745 0.000 3/32400 400.0 4.585 2.882 4.765 0.000 0.726 0.000 3/32400 410.0 4.476 2.811 4.647 0.000 0.709 0.000 3/32400 420.0 4.372 2.743 4.536 0.000 0.692 0.000 3/32400 430.0 4.273 2.678 4.429 0.000 0.675 0.000 3/32400 440.0 4.178 2.616 4.328 0.000 0.660 0.000 3/32400 450.0 4.088 2.558 4.231 0.000 0.645 0.000 3/32400 460.0 4.001 2.501 4.139 0.000 0.631 0.000 3/32400 470.0 3.918 2.448 4.050 0.000 0.618 0.000 3/32400 480.0 3.839 2.396 3.966 0.000 0.605 0.000 3/32400 490.0 3.762 2.347 3.885 0.000 0.593 0.000 3/32400 500.0 3.689 2.300 3.807 0.000 0.581 0.000 3/32400 510.0 3.619 2.254 3.732 0.000 0.569 0.000 3/32400 520.0 3.551 2.211 3.660 0.000 0.559 0.000 3/32400 530.0 3.486 2.169 3.591 0.000 0.548 0.000 3/32400 540.0 3.423 2.128 3.525 0.000 0.538 0.000 3/32400 550.0 3.362 2.089 3.460 0.000 0.528 0.000 3/32400 560.0 3.303 2.052 3.399 0.000 0.519 0.000 3/32400 570.0 3.247 2.016 3.339 0.000 0.510 0.000 3/32400 580.0 3.192 1.981 3.282 0.000 0.501 0.000 3/32400 590.0 3.139 1.947 3.226 0.000 0.493 0.000 3/32400 600.0 3.088 1.914 3.172 0.000 0.485 0.000 3/32400 610.0 3.039 1.883 3.120 0.000 0.477 0.000 3/32400 620.0 2.991 1.853 3.070 0.000 0.469 0.000 3/32400 630.0 2.944 1.823 3.021 0.000 0.462 0.000 3/32400 640.0 2.899 1.794 2.974 0.000 0.455 0.000 3/32400 650.0 2.856 1.767 2.929 0.000 0.448 0.000 3/32400 660.0 2.813 1.740 2.884 0.000 0.441 0.000 3/32400 670.0 2.772 1.714 2.841 0.000 0.435 0.000 3/32400 680.0 2.732 1.689 2.800 0.000 0.428 0.000 3/32400 690.0 2.694 1.664 2.759 0.000 0.422 0.000 3/32400 700.0 2.656 1.640 2.720 0.000 0.416 0.000 3/32400 710.0 2.619 1.617 2.682 0.000 0.410 0.000 3/32400 720.0 2.584 1.595 2.644 0.000 0.405 0.000 3/32400 730.0 2.549 1.573 2.608 0.000 0.399 0.000 3/32400 740.0 2.515 1.552 2.573 0.000 0.394 0.000 3/32400 750.0 2.482 1.531 2.539 0.000 0.389 0.000 3/32400 760.0 2.450 1.511 2.506 0.000 0.384 0.000 3/32400 770.0 2.419 1.491 2.473 0.000 0.379 0.000 3/32400 780.0 2.388 1.472 2.442 0.000 0.374 0.000 3/32400 790.0 2.359 1.453 2.411 0.000 0.369 0.000 3/32400 800.0 2.330 1.435 2.381 0.000 0.365 0.000 3/32400 810.0 2.301 1.417 2.351 0.000 0.360 0.000 3/32400 820.0 2.274 1.400 2.323 0.000 0.356 0.000 3/32400 830.0 2.247 1.383 2.295 0.000 0.352 0.000 3/32400 840.0 2.220 1.367 2.268 0.000 0.348 0.000 3/32400 850.0 2.195 1.351 2.241 0.000 0.344 0.000 3/32400 860.0 2.169 1.335 2.215 0.000 0.340 0.000 3/32400 870.0 2.145 1.319 2.190 0.000 0.336 0.000 3/32400 880.0 2.121 1.304 2.165 0.000 0.332 0.000 3/32400 890.0 2.097 1.290 2.140 0.000 0.328 0.000 3/32400 900.0 2.074 1.275 2.117 0.000 0.325 0.000 3/32400 910.0 2.052 1.261 2.094 0.000 0.321 0.000 3/32400 920.0 2.030 1.248 2.071 0.000 0.318 0.000 3/32400 930.0 2.008 1.234 2.049 0.000 0.314 0.000 3/32400 940.0 1.987 1.221 2.027 0.000 0.311 0.000 3/32400 950.0 1.967 1.208 2.006 0.000 0.308 0.000 3/32400 960.0 1.946 1.196 1.985 0.000 0.305 0.000 3/32400 970.0 1.927 1.183 1.964 0.000 0.301 0.000 3/32400 980.0 1.907 1.171 1.944 0.000 0.298 0.000 3/32400 990.0 1.888 1.160 1.925 0.000 0.295 0.000 3/32400 1000.0 1.870 1.148 1.906 0.000 0.292 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 19:36:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|