----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:57:03]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.998129685000001 -6.658421510000002 0.000000000000000 b 1.998129685000001 6.658421510000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.275279039999999 Atomic positions (fractional): *1 Sr 0.75174856444282 0.24825143555718 0.25000000000000 87.620 2 Sr 0.24825143555718 0.75174856444282 0.75000000000000 87.620 *3 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 4 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 *5 Cu 0.52908121148281 0.47091878851719 0.75000000000000 63.546 6 Cu 0.47091878851719 0.52908121148281 0.25000000000000 63.546 *7 Se 0.36127113897755 0.63872886102245 0.43854671946893 78.960 *8 Se 0.92255686560882 0.07744313439118 0.75000000000000 78.960 9 Se 0.63872886102245 0.36127113897755 0.93854671946893 78.960 10 Se 0.36127113897755 0.63872886102245 0.06145328053107 78.960 11 Se 0.07744313439118 0.92255686560882 0.25000000000000 78.960 12 Se 0.63872886102245 0.36127113897755 0.56145328053107 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.996259370000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.316843020000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.275279039999999 Atomic positions (fractional): *1 Sr 0.00000000000000 0.24825143555718 0.25000000000000 87.620 > 1 2 Sr 0.50000000000000 0.25174856444282 0.75000000000000 87.620 > 2 3 Sr 0.50000000000000 0.74825143555718 0.25000000000000 87.620 > 1 4 Sr 0.00000000000000 0.75174856444282 0.75000000000000 87.620 > 2 *5 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 3 6 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 4 7 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 3 8 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 4 *9 Cu 0.00000000000000 0.47091878851719 0.75000000000000 63.546 > 5 10 Cu 0.50000000000000 0.02908121148281 0.25000000000000 63.546 > 6 11 Cu 0.50000000000000 0.97091878851719 0.75000000000000 63.546 > 5 12 Cu 0.00000000000000 0.52908121148281 0.25000000000000 63.546 > 6 *13 Se 0.50000000000000 0.13872886102245 0.43854671946893 78.960 > 7 *14 Se 0.00000000000000 0.07744313439118 0.75000000000000 78.960 > 8 15 Se 0.00000000000000 0.36127113897755 0.93854671946893 78.960 > 9 16 Se 0.50000000000000 0.13872886102245 0.06145328053107 78.960 > 10 17 Se 0.50000000000000 0.42255686560882 0.25000000000000 78.960 > 11 18 Se 0.00000000000000 0.36127113897755 0.56145328053107 78.960 > 12 19 Se 0.00000000000000 0.63872886102245 0.43854671946893 78.960 > 7 20 Se 0.50000000000000 0.57744313439118 0.75000000000000 78.960 > 8 21 Se 0.50000000000000 0.86127113897755 0.93854671946893 78.960 > 9 22 Se 0.00000000000000 0.63872886102245 0.06145328053107 78.960 > 10 23 Se 0.00000000000000 0.92255686560882 0.25000000000000 78.960 > 11 24 Se 0.50000000000000 0.86127113897755 0.56145328053107 78.960 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.988778110000004 0.000000000000000 0.000000000000000 b 0.000000000000000 13.316843020000004 0.000000000000000 c 0.000000000000000 0.000000000000000 20.550558079999998 Atomic positions (fractional): *1 Sr 0.00000000000000 0.24825143555718 0.12500000000000 87.620 > 1 2 Sr 0.33333333333333 0.24825143555718 0.12500000000000 87.620 > 1 3 Sr 0.66666666666667 0.24825143555718 0.12500000000000 87.620 > 1 4 Sr 0.00000000000000 0.24825143555718 0.62500000000000 87.620 > 1 5 Sr 0.33333333333333 0.24825143555718 0.62500000000000 87.620 > 1 6 Sr 0.66666666666667 0.24825143555718 0.62500000000000 87.620 > 1 7 Sr 0.16666666666667 0.25174856444282 0.37500000000000 87.620 > 2 8 Sr 0.50000000000000 0.25174856444282 0.37500000000000 87.620 > 2 9 Sr 0.83333333333333 0.25174856444282 0.37500000000000 87.620 > 2 10 Sr 0.16666666666667 0.25174856444282 0.87500000000000 87.620 > 2 11 Sr 0.50000000000000 0.25174856444282 0.87500000000000 87.620 > 2 12 Sr 0.83333333333333 0.25174856444282 0.87500000000000 87.620 > 2 13 Sr 0.16666666666667 0.74825143555718 0.12500000000000 87.620 > 1 14 Sr 0.50000000000000 0.74825143555718 0.12500000000000 87.620 > 1 15 Sr 0.83333333333333 0.74825143555718 0.12500000000000 87.620 > 1 16 Sr 0.16666666666667 0.74825143555718 0.62500000000000 87.620 > 1 17 Sr 0.50000000000000 0.74825143555718 0.62500000000000 87.620 > 1 18 Sr 0.83333333333333 0.74825143555718 0.62500000000000 87.620 > 1 19 Sr 0.00000000000000 0.75174856444282 0.37500000000000 87.620 > 2 20 Sr 0.33333333333333 0.75174856444282 0.37500000000000 87.620 > 2 21 Sr 0.66666666666667 0.75174856444282 0.37500000000000 87.620 > 2 22 Sr 0.00000000000000 0.75174856444282 0.87500000000000 87.620 > 2 23 Sr 0.33333333333333 0.75174856444282 0.87500000000000 87.620 > 2 24 Sr 0.66666666666667 0.75174856444282 0.87500000000000 87.620 > 2 *25 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 3 26 Lu 0.33333333333333 0.00000000000000 0.00000000000000 174.967 > 3 27 Lu 0.66666666666667 0.00000000000000 0.00000000000000 174.967 > 3 28 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 3 29 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 3 30 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 3 31 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 4 32 Lu 0.33333333333333 0.00000000000000 0.25000000000000 174.967 > 4 33 Lu 0.66666666666667 0.00000000000000 0.25000000000000 174.967 > 4 34 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 4 35 Lu 0.33333333333333 0.00000000000000 0.75000000000000 174.967 > 4 36 Lu 0.66666666666667 0.00000000000000 0.75000000000000 174.967 > 4 37 Lu 0.16666666666667 0.50000000000000 0.00000000000000 174.967 > 3 38 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 3 39 Lu 0.83333333333333 0.50000000000000 0.00000000000000 174.967 > 3 40 Lu 0.16666666666667 0.50000000000000 0.50000000000000 174.967 > 3 41 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 3 42 Lu 0.83333333333333 0.50000000000000 0.50000000000000 174.967 > 3 43 Lu 0.16666666666667 0.50000000000000 0.25000000000000 174.967 > 4 44 Lu 0.50000000000000 0.50000000000000 0.25000000000000 174.967 > 4 45 Lu 0.83333333333333 0.50000000000000 0.25000000000000 174.967 > 4 46 Lu 0.16666666666667 0.50000000000000 0.75000000000000 174.967 > 4 47 Lu 0.50000000000000 0.50000000000000 0.75000000000000 174.967 > 4 48 Lu 0.83333333333333 0.50000000000000 0.75000000000000 174.967 > 4 *49 Cu 0.00000000000000 0.47091878851719 0.37500000000000 63.546 > 5 50 Cu 0.33333333333333 0.47091878851719 0.37500000000000 63.546 > 5 51 Cu 0.66666666666667 0.47091878851719 0.37500000000000 63.546 > 5 52 Cu 0.00000000000000 0.47091878851719 0.87500000000000 63.546 > 5 53 Cu 0.33333333333333 0.47091878851719 0.87500000000000 63.546 > 5 54 Cu 0.66666666666667 0.47091878851719 0.87500000000000 63.546 > 5 55 Cu 0.16666666666667 0.02908121148281 0.12500000000000 63.546 > 6 56 Cu 0.50000000000000 0.02908121148281 0.12500000000000 63.546 > 6 57 Cu 0.83333333333333 0.02908121148281 0.12500000000000 63.546 > 6 58 Cu 0.16666666666667 0.02908121148281 0.62500000000000 63.546 > 6 59 Cu 0.50000000000000 0.02908121148281 0.62500000000000 63.546 > 6 60 Cu 0.83333333333333 0.02908121148281 0.62500000000000 63.546 > 6 61 Cu 0.16666666666667 0.97091878851719 0.37500000000000 63.546 > 5 62 Cu 0.50000000000000 0.97091878851719 0.37500000000000 63.546 > 5 63 Cu 0.83333333333333 0.97091878851719 0.37500000000000 63.546 > 5 64 Cu 0.16666666666667 0.97091878851719 0.87500000000000 63.546 > 5 65 Cu 0.50000000000000 0.97091878851719 0.87500000000000 63.546 > 5 66 Cu 0.83333333333333 0.97091878851719 0.87500000000000 63.546 > 5 67 Cu 0.00000000000000 0.52908121148281 0.12500000000000 63.546 > 6 68 Cu 0.33333333333333 0.52908121148281 0.12500000000000 63.546 > 6 69 Cu 0.66666666666667 0.52908121148281 0.12500000000000 63.546 > 6 70 Cu 0.00000000000000 0.52908121148281 0.62500000000000 63.546 > 6 71 Cu 0.33333333333333 0.52908121148281 0.62500000000000 63.546 > 6 72 Cu 0.66666666666667 0.52908121148281 0.62500000000000 63.546 > 6 *73 Se 0.16666666666667 0.13872886102245 0.21927335973447 78.960 > 7 74 Se 0.50000000000000 0.13872886102245 0.21927335973447 78.960 > 7 75 Se 0.83333333333333 0.13872886102245 0.21927335973447 78.960 > 7 76 Se 0.16666666666667 0.13872886102245 0.71927335973447 78.960 > 7 77 Se 0.50000000000000 0.13872886102245 0.71927335973447 78.960 > 7 78 Se 0.83333333333333 0.13872886102245 0.71927335973447 78.960 > 7 *79 Se 0.00000000000000 0.07744313439118 0.37500000000000 78.960 > 8 80 Se 0.33333333333333 0.07744313439118 0.37500000000000 78.960 > 8 81 Se 0.66666666666667 0.07744313439118 0.37500000000000 78.960 > 8 82 Se 0.00000000000000 0.07744313439118 0.87500000000000 78.960 > 8 83 Se 0.33333333333333 0.07744313439118 0.87500000000000 78.960 > 8 84 Se 0.66666666666667 0.07744313439118 0.87500000000000 78.960 > 8 85 Se 0.00000000000000 0.36127113897755 0.46927335973447 78.960 > 9 86 Se 0.33333333333333 0.36127113897755 0.46927335973447 78.960 > 9 87 Se 0.66666666666667 0.36127113897755 0.46927335973447 78.960 > 9 88 Se 0.00000000000000 0.36127113897755 0.96927335973447 78.960 > 9 89 Se 0.33333333333333 0.36127113897755 0.96927335973447 78.960 > 9 90 Se 0.66666666666667 0.36127113897755 0.96927335973447 78.960 > 9 91 Se 0.16666666666667 0.13872886102245 0.03072664026553 78.960 > 10 92 Se 0.50000000000000 0.13872886102245 0.03072664026553 78.960 > 10 93 Se 0.83333333333333 0.13872886102245 0.03072664026553 78.960 > 10 94 Se 0.16666666666667 0.13872886102245 0.53072664026553 78.960 > 10 95 Se 0.50000000000000 0.13872886102245 0.53072664026553 78.960 > 10 96 Se 0.83333333333333 0.13872886102245 0.53072664026553 78.960 > 10 97 Se 0.16666666666667 0.42255686560882 0.12500000000000 78.960 > 11 98 Se 0.50000000000000 0.42255686560882 0.12500000000000 78.960 > 11 99 Se 0.83333333333333 0.42255686560882 0.12500000000000 78.960 > 11 100 Se 0.16666666666667 0.42255686560882 0.62500000000000 78.960 > 11 101 Se 0.50000000000000 0.42255686560882 0.62500000000000 78.960 > 11 102 Se 0.83333333333333 0.42255686560882 0.62500000000000 78.960 > 11 103 Se 0.00000000000000 0.36127113897755 0.28072664026553 78.960 > 12 104 Se 0.33333333333333 0.36127113897755 0.28072664026553 78.960 > 12 105 Se 0.66666666666667 0.36127113897755 0.28072664026553 78.960 > 12 106 Se 0.00000000000000 0.36127113897755 0.78072664026553 78.960 > 12 107 Se 0.33333333333333 0.36127113897755 0.78072664026553 78.960 > 12 108 Se 0.66666666666667 0.36127113897755 0.78072664026553 78.960 > 12 109 Se 0.00000000000000 0.63872886102245 0.21927335973447 78.960 > 7 110 Se 0.33333333333333 0.63872886102245 0.21927335973447 78.960 > 7 111 Se 0.66666666666667 0.63872886102245 0.21927335973447 78.960 > 7 112 Se 0.00000000000000 0.63872886102245 0.71927335973447 78.960 > 7 113 Se 0.33333333333333 0.63872886102245 0.71927335973447 78.960 > 7 114 Se 0.66666666666667 0.63872886102245 0.71927335973447 78.960 > 7 115 Se 0.16666666666667 0.57744313439118 0.37500000000000 78.960 > 8 116 Se 0.50000000000000 0.57744313439118 0.37500000000000 78.960 > 8 117 Se 0.83333333333333 0.57744313439118 0.37500000000000 78.960 > 8 118 Se 0.16666666666667 0.57744313439118 0.87500000000000 78.960 > 8 119 Se 0.50000000000000 0.57744313439118 0.87500000000000 78.960 > 8 120 Se 0.83333333333333 0.57744313439118 0.87500000000000 78.960 > 8 121 Se 0.16666666666667 0.86127113897755 0.46927335973447 78.960 > 9 122 Se 0.50000000000000 0.86127113897755 0.46927335973447 78.960 > 9 123 Se 0.83333333333333 0.86127113897755 0.46927335973447 78.960 > 9 124 Se 0.16666666666667 0.86127113897755 0.96927335973447 78.960 > 9 125 Se 0.50000000000000 0.86127113897755 0.96927335973447 78.960 > 9 126 Se 0.83333333333333 0.86127113897755 0.96927335973447 78.960 > 9 127 Se 0.00000000000000 0.63872886102245 0.03072664026553 78.960 > 10 128 Se 0.33333333333333 0.63872886102245 0.03072664026553 78.960 > 10 129 Se 0.66666666666667 0.63872886102245 0.03072664026553 78.960 > 10 130 Se 0.00000000000000 0.63872886102245 0.53072664026553 78.960 > 10 131 Se 0.33333333333333 0.63872886102245 0.53072664026553 78.960 > 10 132 Se 0.66666666666667 0.63872886102245 0.53072664026553 78.960 > 10 133 Se 0.00000000000000 0.92255686560882 0.12500000000000 78.960 > 11 134 Se 0.33333333333333 0.92255686560882 0.12500000000000 78.960 > 11 135 Se 0.66666666666667 0.92255686560882 0.12500000000000 78.960 > 11 136 Se 0.00000000000000 0.92255686560882 0.62500000000000 78.960 > 11 137 Se 0.33333333333333 0.92255686560882 0.62500000000000 78.960 > 11 138 Se 0.66666666666667 0.92255686560882 0.62500000000000 78.960 > 11 139 Se 0.16666666666667 0.86127113897755 0.28072664026553 78.960 > 12 140 Se 0.50000000000000 0.86127113897755 0.28072664026553 78.960 > 12 141 Se 0.83333333333333 0.86127113897755 0.28072664026553 78.960 > 12 142 Se 0.16666666666667 0.86127113897755 0.78072664026553 78.960 > 12 143 Se 0.50000000000000 0.86127113897755 0.78072664026553 78.960 > 12 144 Se 0.83333333333333 0.86127113897755 0.78072664026553 78.960 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0374657 0.0000000 0.0000000 0.0000000 7.2753328 0.0000000 0.0000000 0.0000000 8.6274012 -------------------------- Born effective charges -------------------------- 1 Sr 2.6946009 0.0000000 0.0000000 0.0000000 3.4376143 0.0000000 0.0000000 0.0000000 2.6280732 2 Sr 2.6946009 0.0000000 0.0000000 0.0000000 3.4376143 0.0000000 0.0000000 0.0000000 2.6280732 3 Lu 4.6904973 0.0000000 0.0000000 0.0000000 2.3712665 0.2864267 0.0000000 0.3095210 4.5702551 4 Lu 4.6904973 0.0000000 0.0000000 0.0000000 2.3712665 -0.2864267 0.0000000 -0.3095210 4.5702551 5 Cu 0.5815328 0.0000000 0.0000000 0.0000000 0.3608947 0.0000000 0.0000000 0.0000000 0.4618762 6 Cu 0.5815328 0.0000000 0.0000000 0.0000000 0.3608947 0.0000000 0.0000000 0.0000000 0.4618762 7 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 0.2608448 0.0000000 0.3532721 -2.1994429 8 Se -1.9820891 0.0000000 0.0000000 0.0000000 -1.8928983 0.0000000 0.0000000 0.0000000 -3.2613187 9 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 -0.2608448 0.0000000 -0.3532721 -2.1994429 10 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 -0.2608448 0.0000000 -0.3532721 -2.1994429 11 Se -1.9820891 0.0000000 0.0000000 0.0000000 -1.8928983 0.0000000 0.0000000 0.0000000 -3.2613187 12 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 0.2608448 0.0000000 0.3532721 -2.1994429 ---------------------------------------------------------------------------- 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: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.590 Solver_block: 200 / 240 - Time: 1.600 Solver_block: 240 / 240 - Time: 0.723 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.974 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:57:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:57:22]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.998129685000001 -6.658421510000002 0.000000000000000 b 1.998129685000001 6.658421510000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.275279039999999 Atomic positions (fractional): 1 Sr 0.75174856444282 0.24825143555718 0.25000000000000 87.620 2 Sr 0.24825143555718 0.75174856444282 0.75000000000000 87.620 3 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 4 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 5 Cu 0.52908121148281 0.47091878851719 0.75000000000000 63.546 6 Cu 0.47091878851719 0.52908121148281 0.25000000000000 63.546 7 Se 0.36127113897755 0.63872886102245 0.43854671946893 78.960 8 Se 0.92255686560882 0.07744313439118 0.75000000000000 78.960 9 Se 0.63872886102245 0.36127113897755 0.93854671946893 78.960 10 Se 0.36127113897755 0.63872886102245 0.06145328053107 78.960 11 Se 0.07744313439118 0.92255686560882 0.25000000000000 78.960 12 Se 0.63872886102245 0.36127113897755 0.56145328053107 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.988778110000004 0.000000000000000 0.000000000000000 b 0.000000000000000 13.316843020000004 0.000000000000000 c 0.000000000000000 0.000000000000000 20.550558079999998 Atomic positions (fractional): 1 Sr 0.00000000000000 0.24825143555718 0.12500000000000 87.620 > 1 2 Sr 0.33333333333333 0.24825143555718 0.12500000000000 87.620 > 1 3 Sr 0.66666666666667 0.24825143555718 0.12500000000000 87.620 > 1 4 Sr 0.00000000000000 0.24825143555718 0.62500000000000 87.620 > 1 5 Sr 0.33333333333333 0.24825143555718 0.62500000000000 87.620 > 1 6 Sr 0.66666666666667 0.24825143555718 0.62500000000000 87.620 > 1 7 Sr 0.16666666666667 0.25174856444282 0.37500000000000 87.620 > 7 8 Sr 0.50000000000000 0.25174856444282 0.37500000000000 87.620 > 7 9 Sr 0.83333333333333 0.25174856444282 0.37500000000000 87.620 > 7 10 Sr 0.16666666666667 0.25174856444282 0.87500000000000 87.620 > 7 11 Sr 0.50000000000000 0.25174856444282 0.87500000000000 87.620 > 7 12 Sr 0.83333333333333 0.25174856444282 0.87500000000000 87.620 > 7 13 Sr 0.16666666666667 0.74825143555718 0.12500000000000 87.620 > 1 14 Sr 0.50000000000000 0.74825143555718 0.12500000000000 87.620 > 1 15 Sr 0.83333333333333 0.74825143555718 0.12500000000000 87.620 > 1 16 Sr 0.16666666666667 0.74825143555718 0.62500000000000 87.620 > 1 17 Sr 0.50000000000000 0.74825143555718 0.62500000000000 87.620 > 1 18 Sr 0.83333333333333 0.74825143555718 0.62500000000000 87.620 > 1 19 Sr 0.00000000000000 0.75174856444282 0.37500000000000 87.620 > 7 20 Sr 0.33333333333333 0.75174856444282 0.37500000000000 87.620 > 7 21 Sr 0.66666666666667 0.75174856444282 0.37500000000000 87.620 > 7 22 Sr 0.00000000000000 0.75174856444282 0.87500000000000 87.620 > 7 23 Sr 0.33333333333333 0.75174856444282 0.87500000000000 87.620 > 7 24 Sr 0.66666666666667 0.75174856444282 0.87500000000000 87.620 > 7 25 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 25 26 Lu 0.33333333333333 0.00000000000000 0.00000000000000 174.967 > 25 27 Lu 0.66666666666667 0.00000000000000 0.00000000000000 174.967 > 25 28 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 25 29 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 25 30 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 25 31 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 31 32 Lu 0.33333333333333 0.00000000000000 0.25000000000000 174.967 > 31 33 Lu 0.66666666666667 0.00000000000000 0.25000000000000 174.967 > 31 34 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 31 35 Lu 0.33333333333333 0.00000000000000 0.75000000000000 174.967 > 31 36 Lu 0.66666666666667 0.00000000000000 0.75000000000000 174.967 > 31 37 Lu 0.16666666666667 0.50000000000000 0.00000000000000 174.967 > 25 38 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 25 39 Lu 0.83333333333333 0.50000000000000 0.00000000000000 174.967 > 25 40 Lu 0.16666666666667 0.50000000000000 0.50000000000000 174.967 > 25 41 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 25 42 Lu 0.83333333333333 0.50000000000000 0.50000000000000 174.967 > 25 43 Lu 0.16666666666667 0.50000000000000 0.25000000000000 174.967 > 31 44 Lu 0.50000000000000 0.50000000000000 0.25000000000000 174.967 > 31 45 Lu 0.83333333333333 0.50000000000000 0.25000000000000 174.967 > 31 46 Lu 0.16666666666667 0.50000000000000 0.75000000000000 174.967 > 31 47 Lu 0.50000000000000 0.50000000000000 0.75000000000000 174.967 > 31 48 Lu 0.83333333333333 0.50000000000000 0.75000000000000 174.967 > 31 49 Cu 0.00000000000000 0.47091878851719 0.37500000000000 63.546 > 49 50 Cu 0.33333333333333 0.47091878851719 0.37500000000000 63.546 > 49 51 Cu 0.66666666666667 0.47091878851719 0.37500000000000 63.546 > 49 52 Cu 0.00000000000000 0.47091878851719 0.87500000000000 63.546 > 49 53 Cu 0.33333333333333 0.47091878851719 0.87500000000000 63.546 > 49 54 Cu 0.66666666666667 0.47091878851719 0.87500000000000 63.546 > 49 55 Cu 0.16666666666667 0.02908121148281 0.12500000000000 63.546 > 55 56 Cu 0.50000000000000 0.02908121148281 0.12500000000000 63.546 > 55 57 Cu 0.83333333333333 0.02908121148281 0.12500000000000 63.546 > 55 58 Cu 0.16666666666667 0.02908121148281 0.62500000000000 63.546 > 55 59 Cu 0.50000000000000 0.02908121148281 0.62500000000000 63.546 > 55 60 Cu 0.83333333333333 0.02908121148281 0.62500000000000 63.546 > 55 61 Cu 0.16666666666667 0.97091878851719 0.37500000000000 63.546 > 49 62 Cu 0.50000000000000 0.97091878851719 0.37500000000000 63.546 > 49 63 Cu 0.83333333333333 0.97091878851719 0.37500000000000 63.546 > 49 64 Cu 0.16666666666667 0.97091878851719 0.87500000000000 63.546 > 49 65 Cu 0.50000000000000 0.97091878851719 0.87500000000000 63.546 > 49 66 Cu 0.83333333333333 0.97091878851719 0.87500000000000 63.546 > 49 67 Cu 0.00000000000000 0.52908121148281 0.12500000000000 63.546 > 55 68 Cu 0.33333333333333 0.52908121148281 0.12500000000000 63.546 > 55 69 Cu 0.66666666666667 0.52908121148281 0.12500000000000 63.546 > 55 70 Cu 0.00000000000000 0.52908121148281 0.62500000000000 63.546 > 55 71 Cu 0.33333333333333 0.52908121148281 0.62500000000000 63.546 > 55 72 Cu 0.66666666666667 0.52908121148281 0.62500000000000 63.546 > 55 73 Se 0.16666666666667 0.13872886102245 0.21927335973447 78.960 > 73 74 Se 0.50000000000000 0.13872886102245 0.21927335973447 78.960 > 73 75 Se 0.83333333333333 0.13872886102245 0.21927335973447 78.960 > 73 76 Se 0.16666666666667 0.13872886102245 0.71927335973447 78.960 > 73 77 Se 0.50000000000000 0.13872886102245 0.71927335973447 78.960 > 73 78 Se 0.83333333333333 0.13872886102245 0.71927335973447 78.960 > 73 79 Se 0.00000000000000 0.07744313439118 0.37500000000000 78.960 > 79 80 Se 0.33333333333333 0.07744313439118 0.37500000000000 78.960 > 79 81 Se 0.66666666666667 0.07744313439118 0.37500000000000 78.960 > 79 82 Se 0.00000000000000 0.07744313439118 0.87500000000000 78.960 > 79 83 Se 0.33333333333333 0.07744313439118 0.87500000000000 78.960 > 79 84 Se 0.66666666666667 0.07744313439118 0.87500000000000 78.960 > 79 85 Se 0.00000000000000 0.36127113897755 0.46927335973447 78.960 > 85 86 Se 0.33333333333333 0.36127113897755 0.46927335973447 78.960 > 85 87 Se 0.66666666666667 0.36127113897755 0.46927335973447 78.960 > 85 88 Se 0.00000000000000 0.36127113897755 0.96927335973447 78.960 > 85 89 Se 0.33333333333333 0.36127113897755 0.96927335973447 78.960 > 85 90 Se 0.66666666666667 0.36127113897755 0.96927335973447 78.960 > 85 91 Se 0.16666666666667 0.13872886102245 0.03072664026553 78.960 > 91 92 Se 0.50000000000000 0.13872886102245 0.03072664026553 78.960 > 91 93 Se 0.83333333333333 0.13872886102245 0.03072664026553 78.960 > 91 94 Se 0.16666666666667 0.13872886102245 0.53072664026553 78.960 > 91 95 Se 0.50000000000000 0.13872886102245 0.53072664026553 78.960 > 91 96 Se 0.83333333333333 0.13872886102245 0.53072664026553 78.960 > 91 97 Se 0.16666666666667 0.42255686560882 0.12500000000000 78.960 > 97 98 Se 0.50000000000000 0.42255686560882 0.12500000000000 78.960 > 97 99 Se 0.83333333333333 0.42255686560882 0.12500000000000 78.960 > 97 100 Se 0.16666666666667 0.42255686560882 0.62500000000000 78.960 > 97 101 Se 0.50000000000000 0.42255686560882 0.62500000000000 78.960 > 97 102 Se 0.83333333333333 0.42255686560882 0.62500000000000 78.960 > 97 103 Se 0.00000000000000 0.36127113897755 0.28072664026553 78.960 > 103 104 Se 0.33333333333333 0.36127113897755 0.28072664026553 78.960 > 103 105 Se 0.66666666666667 0.36127113897755 0.28072664026553 78.960 > 103 106 Se 0.00000000000000 0.36127113897755 0.78072664026553 78.960 > 103 107 Se 0.33333333333333 0.36127113897755 0.78072664026553 78.960 > 103 108 Se 0.66666666666667 0.36127113897755 0.78072664026553 78.960 > 103 109 Se 0.00000000000000 0.63872886102245 0.21927335973447 78.960 > 73 110 Se 0.33333333333333 0.63872886102245 0.21927335973447 78.960 > 73 111 Se 0.66666666666667 0.63872886102245 0.21927335973447 78.960 > 73 112 Se 0.00000000000000 0.63872886102245 0.71927335973447 78.960 > 73 113 Se 0.33333333333333 0.63872886102245 0.71927335973447 78.960 > 73 114 Se 0.66666666666667 0.63872886102245 0.71927335973447 78.960 > 73 115 Se 0.16666666666667 0.57744313439118 0.37500000000000 78.960 > 79 116 Se 0.50000000000000 0.57744313439118 0.37500000000000 78.960 > 79 117 Se 0.83333333333333 0.57744313439118 0.37500000000000 78.960 > 79 118 Se 0.16666666666667 0.57744313439118 0.87500000000000 78.960 > 79 119 Se 0.50000000000000 0.57744313439118 0.87500000000000 78.960 > 79 120 Se 0.83333333333333 0.57744313439118 0.87500000000000 78.960 > 79 121 Se 0.16666666666667 0.86127113897755 0.46927335973447 78.960 > 85 122 Se 0.50000000000000 0.86127113897755 0.46927335973447 78.960 > 85 123 Se 0.83333333333333 0.86127113897755 0.46927335973447 78.960 > 85 124 Se 0.16666666666667 0.86127113897755 0.96927335973447 78.960 > 85 125 Se 0.50000000000000 0.86127113897755 0.96927335973447 78.960 > 85 126 Se 0.83333333333333 0.86127113897755 0.96927335973447 78.960 > 85 127 Se 0.00000000000000 0.63872886102245 0.03072664026553 78.960 > 91 128 Se 0.33333333333333 0.63872886102245 0.03072664026553 78.960 > 91 129 Se 0.66666666666667 0.63872886102245 0.03072664026553 78.960 > 91 130 Se 0.00000000000000 0.63872886102245 0.53072664026553 78.960 > 91 131 Se 0.33333333333333 0.63872886102245 0.53072664026553 78.960 > 91 132 Se 0.66666666666667 0.63872886102245 0.53072664026553 78.960 > 91 133 Se 0.00000000000000 0.92255686560882 0.12500000000000 78.960 > 97 134 Se 0.33333333333333 0.92255686560882 0.12500000000000 78.960 > 97 135 Se 0.66666666666667 0.92255686560882 0.12500000000000 78.960 > 97 136 Se 0.00000000000000 0.92255686560882 0.62500000000000 78.960 > 97 137 Se 0.33333333333333 0.92255686560882 0.62500000000000 78.960 > 97 138 Se 0.66666666666667 0.92255686560882 0.62500000000000 78.960 > 97 139 Se 0.16666666666667 0.86127113897755 0.28072664026553 78.960 > 103 140 Se 0.50000000000000 0.86127113897755 0.28072664026553 78.960 > 103 141 Se 0.83333333333333 0.86127113897755 0.28072664026553 78.960 > 103 142 Se 0.16666666666667 0.86127113897755 0.78072664026553 78.960 > 103 143 Se 0.50000000000000 0.86127113897755 0.78072664026553 78.960 > 103 144 Se 0.83333333333333 0.86127113897755 0.78072664026553 78.960 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.0374657 0.0000000 0.0000000 0.0000000 7.2753328 0.0000000 0.0000000 0.0000000 8.6274012 -------------------------- Born effective charges -------------------------- 1 Sr 2.6946009 0.0000000 0.0000000 0.0000000 3.4376143 0.0000000 0.0000000 0.0000000 2.6280732 2 Sr 2.6946009 0.0000000 0.0000000 0.0000000 3.4376143 0.0000000 0.0000000 0.0000000 2.6280732 3 Lu 4.6904973 0.0000000 0.0000000 0.0000000 2.3712665 0.2864267 0.0000000 0.3095210 4.5702551 4 Lu 4.6904973 0.0000000 0.0000000 0.0000000 2.3712665 -0.2864267 0.0000000 -0.3095210 4.5702551 5 Cu 0.5815328 0.0000000 0.0000000 0.0000000 0.3608947 0.0000000 0.0000000 0.0000000 0.4618762 6 Cu 0.5815328 0.0000000 0.0000000 0.0000000 0.3608947 0.0000000 0.0000000 0.0000000 0.4618762 7 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 0.2608448 0.0000000 0.3532721 -2.1994429 8 Se -1.9820891 0.0000000 0.0000000 0.0000000 -1.8928983 0.0000000 0.0000000 0.0000000 -3.2613187 9 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 -0.2608448 0.0000000 -0.3532721 -2.1994429 10 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 -0.2608448 0.0000000 -0.3532721 -2.1994429 11 Se -1.9820891 0.0000000 0.0000000 0.0000000 -1.8928983 0.0000000 0.0000000 0.0000000 -3.2613187 12 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 0.2608448 0.0000000 0.3532721 -2.1994429 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (xyx) 0.00000004 (xyx) 0.00000004 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:57:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:57:41]------------------------- 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 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.998129685000001 -6.658421510000002 0.000000000000000 b 1.998129685000001 6.658421510000002 0.000000000000000 c 0.000000000000000 0.000000000000000 10.275279039999999 Atomic positions (fractional): 1 Sr 0.75174856444282 0.24825143555718 0.25000000000000 87.620 2 Sr 0.24825143555718 0.75174856444282 0.75000000000000 87.620 3 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 4 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 5 Cu 0.52908121148281 0.47091878851719 0.75000000000000 63.546 6 Cu 0.47091878851719 0.52908121148281 0.25000000000000 63.546 7 Se 0.36127113897755 0.63872886102245 0.43854671946893 78.960 8 Se 0.92255686560882 0.07744313439118 0.75000000000000 78.960 9 Se 0.63872886102245 0.36127113897755 0.93854671946893 78.960 10 Se 0.36127113897755 0.63872886102245 0.06145328053107 78.960 11 Se 0.07744313439118 0.92255686560882 0.25000000000000 78.960 12 Se 0.63872886102245 0.36127113897755 0.56145328053107 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.988778110000004 0.000000000000000 0.000000000000000 b 0.000000000000000 13.316843020000004 0.000000000000000 c 0.000000000000000 0.000000000000000 20.550558079999998 Atomic positions (fractional): 1 Sr 0.00000000000000 0.24825143555718 0.12500000000000 87.620 > 1 2 Sr 0.33333333333333 0.24825143555718 0.12500000000000 87.620 > 1 3 Sr 0.66666666666667 0.24825143555718 0.12500000000000 87.620 > 1 4 Sr 0.00000000000000 0.24825143555718 0.62500000000000 87.620 > 1 5 Sr 0.33333333333333 0.24825143555718 0.62500000000000 87.620 > 1 6 Sr 0.66666666666667 0.24825143555718 0.62500000000000 87.620 > 1 7 Sr 0.16666666666667 0.25174856444282 0.37500000000000 87.620 > 7 8 Sr 0.50000000000000 0.25174856444282 0.37500000000000 87.620 > 7 9 Sr 0.83333333333333 0.25174856444282 0.37500000000000 87.620 > 7 10 Sr 0.16666666666667 0.25174856444282 0.87500000000000 87.620 > 7 11 Sr 0.50000000000000 0.25174856444282 0.87500000000000 87.620 > 7 12 Sr 0.83333333333333 0.25174856444282 0.87500000000000 87.620 > 7 13 Sr 0.16666666666667 0.74825143555718 0.12500000000000 87.620 > 1 14 Sr 0.50000000000000 0.74825143555718 0.12500000000000 87.620 > 1 15 Sr 0.83333333333333 0.74825143555718 0.12500000000000 87.620 > 1 16 Sr 0.16666666666667 0.74825143555718 0.62500000000000 87.620 > 1 17 Sr 0.50000000000000 0.74825143555718 0.62500000000000 87.620 > 1 18 Sr 0.83333333333333 0.74825143555718 0.62500000000000 87.620 > 1 19 Sr 0.00000000000000 0.75174856444282 0.37500000000000 87.620 > 7 20 Sr 0.33333333333333 0.75174856444282 0.37500000000000 87.620 > 7 21 Sr 0.66666666666667 0.75174856444282 0.37500000000000 87.620 > 7 22 Sr 0.00000000000000 0.75174856444282 0.87500000000000 87.620 > 7 23 Sr 0.33333333333333 0.75174856444282 0.87500000000000 87.620 > 7 24 Sr 0.66666666666667 0.75174856444282 0.87500000000000 87.620 > 7 25 Lu 0.00000000000000 0.00000000000000 0.00000000000000 174.967 > 25 26 Lu 0.33333333333333 0.00000000000000 0.00000000000000 174.967 > 25 27 Lu 0.66666666666667 0.00000000000000 0.00000000000000 174.967 > 25 28 Lu 0.00000000000000 0.00000000000000 0.50000000000000 174.967 > 25 29 Lu 0.33333333333333 0.00000000000000 0.50000000000000 174.967 > 25 30 Lu 0.66666666666667 0.00000000000000 0.50000000000000 174.967 > 25 31 Lu 0.00000000000000 0.00000000000000 0.25000000000000 174.967 > 31 32 Lu 0.33333333333333 0.00000000000000 0.25000000000000 174.967 > 31 33 Lu 0.66666666666667 0.00000000000000 0.25000000000000 174.967 > 31 34 Lu 0.00000000000000 0.00000000000000 0.75000000000000 174.967 > 31 35 Lu 0.33333333333333 0.00000000000000 0.75000000000000 174.967 > 31 36 Lu 0.66666666666667 0.00000000000000 0.75000000000000 174.967 > 31 37 Lu 0.16666666666667 0.50000000000000 0.00000000000000 174.967 > 25 38 Lu 0.50000000000000 0.50000000000000 0.00000000000000 174.967 > 25 39 Lu 0.83333333333333 0.50000000000000 0.00000000000000 174.967 > 25 40 Lu 0.16666666666667 0.50000000000000 0.50000000000000 174.967 > 25 41 Lu 0.50000000000000 0.50000000000000 0.50000000000000 174.967 > 25 42 Lu 0.83333333333333 0.50000000000000 0.50000000000000 174.967 > 25 43 Lu 0.16666666666667 0.50000000000000 0.25000000000000 174.967 > 31 44 Lu 0.50000000000000 0.50000000000000 0.25000000000000 174.967 > 31 45 Lu 0.83333333333333 0.50000000000000 0.25000000000000 174.967 > 31 46 Lu 0.16666666666667 0.50000000000000 0.75000000000000 174.967 > 31 47 Lu 0.50000000000000 0.50000000000000 0.75000000000000 174.967 > 31 48 Lu 0.83333333333333 0.50000000000000 0.75000000000000 174.967 > 31 49 Cu 0.00000000000000 0.47091878851719 0.37500000000000 63.546 > 49 50 Cu 0.33333333333333 0.47091878851719 0.37500000000000 63.546 > 49 51 Cu 0.66666666666667 0.47091878851719 0.37500000000000 63.546 > 49 52 Cu 0.00000000000000 0.47091878851719 0.87500000000000 63.546 > 49 53 Cu 0.33333333333333 0.47091878851719 0.87500000000000 63.546 > 49 54 Cu 0.66666666666667 0.47091878851719 0.87500000000000 63.546 > 49 55 Cu 0.16666666666667 0.02908121148281 0.12500000000000 63.546 > 55 56 Cu 0.50000000000000 0.02908121148281 0.12500000000000 63.546 > 55 57 Cu 0.83333333333333 0.02908121148281 0.12500000000000 63.546 > 55 58 Cu 0.16666666666667 0.02908121148281 0.62500000000000 63.546 > 55 59 Cu 0.50000000000000 0.02908121148281 0.62500000000000 63.546 > 55 60 Cu 0.83333333333333 0.02908121148281 0.62500000000000 63.546 > 55 61 Cu 0.16666666666667 0.97091878851719 0.37500000000000 63.546 > 49 62 Cu 0.50000000000000 0.97091878851719 0.37500000000000 63.546 > 49 63 Cu 0.83333333333333 0.97091878851719 0.37500000000000 63.546 > 49 64 Cu 0.16666666666667 0.97091878851719 0.87500000000000 63.546 > 49 65 Cu 0.50000000000000 0.97091878851719 0.87500000000000 63.546 > 49 66 Cu 0.83333333333333 0.97091878851719 0.87500000000000 63.546 > 49 67 Cu 0.00000000000000 0.52908121148281 0.12500000000000 63.546 > 55 68 Cu 0.33333333333333 0.52908121148281 0.12500000000000 63.546 > 55 69 Cu 0.66666666666667 0.52908121148281 0.12500000000000 63.546 > 55 70 Cu 0.00000000000000 0.52908121148281 0.62500000000000 63.546 > 55 71 Cu 0.33333333333333 0.52908121148281 0.62500000000000 63.546 > 55 72 Cu 0.66666666666667 0.52908121148281 0.62500000000000 63.546 > 55 73 Se 0.16666666666667 0.13872886102245 0.21927335973447 78.960 > 73 74 Se 0.50000000000000 0.13872886102245 0.21927335973447 78.960 > 73 75 Se 0.83333333333333 0.13872886102245 0.21927335973447 78.960 > 73 76 Se 0.16666666666667 0.13872886102245 0.71927335973447 78.960 > 73 77 Se 0.50000000000000 0.13872886102245 0.71927335973447 78.960 > 73 78 Se 0.83333333333333 0.13872886102245 0.71927335973447 78.960 > 73 79 Se 0.00000000000000 0.07744313439118 0.37500000000000 78.960 > 79 80 Se 0.33333333333333 0.07744313439118 0.37500000000000 78.960 > 79 81 Se 0.66666666666667 0.07744313439118 0.37500000000000 78.960 > 79 82 Se 0.00000000000000 0.07744313439118 0.87500000000000 78.960 > 79 83 Se 0.33333333333333 0.07744313439118 0.87500000000000 78.960 > 79 84 Se 0.66666666666667 0.07744313439118 0.87500000000000 78.960 > 79 85 Se 0.00000000000000 0.36127113897755 0.46927335973447 78.960 > 85 86 Se 0.33333333333333 0.36127113897755 0.46927335973447 78.960 > 85 87 Se 0.66666666666667 0.36127113897755 0.46927335973447 78.960 > 85 88 Se 0.00000000000000 0.36127113897755 0.96927335973447 78.960 > 85 89 Se 0.33333333333333 0.36127113897755 0.96927335973447 78.960 > 85 90 Se 0.66666666666667 0.36127113897755 0.96927335973447 78.960 > 85 91 Se 0.16666666666667 0.13872886102245 0.03072664026553 78.960 > 91 92 Se 0.50000000000000 0.13872886102245 0.03072664026553 78.960 > 91 93 Se 0.83333333333333 0.13872886102245 0.03072664026553 78.960 > 91 94 Se 0.16666666666667 0.13872886102245 0.53072664026553 78.960 > 91 95 Se 0.50000000000000 0.13872886102245 0.53072664026553 78.960 > 91 96 Se 0.83333333333333 0.13872886102245 0.53072664026553 78.960 > 91 97 Se 0.16666666666667 0.42255686560882 0.12500000000000 78.960 > 97 98 Se 0.50000000000000 0.42255686560882 0.12500000000000 78.960 > 97 99 Se 0.83333333333333 0.42255686560882 0.12500000000000 78.960 > 97 100 Se 0.16666666666667 0.42255686560882 0.62500000000000 78.960 > 97 101 Se 0.50000000000000 0.42255686560882 0.62500000000000 78.960 > 97 102 Se 0.83333333333333 0.42255686560882 0.62500000000000 78.960 > 97 103 Se 0.00000000000000 0.36127113897755 0.28072664026553 78.960 > 103 104 Se 0.33333333333333 0.36127113897755 0.28072664026553 78.960 > 103 105 Se 0.66666666666667 0.36127113897755 0.28072664026553 78.960 > 103 106 Se 0.00000000000000 0.36127113897755 0.78072664026553 78.960 > 103 107 Se 0.33333333333333 0.36127113897755 0.78072664026553 78.960 > 103 108 Se 0.66666666666667 0.36127113897755 0.78072664026553 78.960 > 103 109 Se 0.00000000000000 0.63872886102245 0.21927335973447 78.960 > 73 110 Se 0.33333333333333 0.63872886102245 0.21927335973447 78.960 > 73 111 Se 0.66666666666667 0.63872886102245 0.21927335973447 78.960 > 73 112 Se 0.00000000000000 0.63872886102245 0.71927335973447 78.960 > 73 113 Se 0.33333333333333 0.63872886102245 0.71927335973447 78.960 > 73 114 Se 0.66666666666667 0.63872886102245 0.71927335973447 78.960 > 73 115 Se 0.16666666666667 0.57744313439118 0.37500000000000 78.960 > 79 116 Se 0.50000000000000 0.57744313439118 0.37500000000000 78.960 > 79 117 Se 0.83333333333333 0.57744313439118 0.37500000000000 78.960 > 79 118 Se 0.16666666666667 0.57744313439118 0.87500000000000 78.960 > 79 119 Se 0.50000000000000 0.57744313439118 0.87500000000000 78.960 > 79 120 Se 0.83333333333333 0.57744313439118 0.87500000000000 78.960 > 79 121 Se 0.16666666666667 0.86127113897755 0.46927335973447 78.960 > 85 122 Se 0.50000000000000 0.86127113897755 0.46927335973447 78.960 > 85 123 Se 0.83333333333333 0.86127113897755 0.46927335973447 78.960 > 85 124 Se 0.16666666666667 0.86127113897755 0.96927335973447 78.960 > 85 125 Se 0.50000000000000 0.86127113897755 0.96927335973447 78.960 > 85 126 Se 0.83333333333333 0.86127113897755 0.96927335973447 78.960 > 85 127 Se 0.00000000000000 0.63872886102245 0.03072664026553 78.960 > 91 128 Se 0.33333333333333 0.63872886102245 0.03072664026553 78.960 > 91 129 Se 0.66666666666667 0.63872886102245 0.03072664026553 78.960 > 91 130 Se 0.00000000000000 0.63872886102245 0.53072664026553 78.960 > 91 131 Se 0.33333333333333 0.63872886102245 0.53072664026553 78.960 > 91 132 Se 0.66666666666667 0.63872886102245 0.53072664026553 78.960 > 91 133 Se 0.00000000000000 0.92255686560882 0.12500000000000 78.960 > 97 134 Se 0.33333333333333 0.92255686560882 0.12500000000000 78.960 > 97 135 Se 0.66666666666667 0.92255686560882 0.12500000000000 78.960 > 97 136 Se 0.00000000000000 0.92255686560882 0.62500000000000 78.960 > 97 137 Se 0.33333333333333 0.92255686560882 0.62500000000000 78.960 > 97 138 Se 0.66666666666667 0.92255686560882 0.62500000000000 78.960 > 97 139 Se 0.16666666666667 0.86127113897755 0.28072664026553 78.960 > 103 140 Se 0.50000000000000 0.86127113897755 0.28072664026553 78.960 > 103 141 Se 0.83333333333333 0.86127113897755 0.28072664026553 78.960 > 103 142 Se 0.16666666666667 0.86127113897755 0.78072664026553 78.960 > 103 143 Se 0.50000000000000 0.86127113897755 0.78072664026553 78.960 > 103 144 Se 0.83333333333333 0.86127113897755 0.78072664026553 78.960 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.0374657 0.0000000 0.0000000 0.0000000 7.2753328 0.0000000 0.0000000 0.0000000 8.6274012 -------------------------- Born effective charges -------------------------- 1 Sr 2.6946009 0.0000000 0.0000000 0.0000000 3.4376143 0.0000000 0.0000000 0.0000000 2.6280732 2 Sr 2.6946009 0.0000000 0.0000000 0.0000000 3.4376143 0.0000000 0.0000000 0.0000000 2.6280732 3 Lu 4.6904973 0.0000000 0.0000000 0.0000000 2.3712665 0.2864267 0.0000000 0.3095210 4.5702551 4 Lu 4.6904973 0.0000000 0.0000000 0.0000000 2.3712665 -0.2864267 0.0000000 -0.3095210 4.5702551 5 Cu 0.5815328 0.0000000 0.0000000 0.0000000 0.3608947 0.0000000 0.0000000 0.0000000 0.4618762 6 Cu 0.5815328 0.0000000 0.0000000 0.0000000 0.3608947 0.0000000 0.0000000 0.0000000 0.4618762 7 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 0.2608448 0.0000000 0.3532721 -2.1994429 8 Se -1.9820891 0.0000000 0.0000000 0.0000000 -1.8928983 0.0000000 0.0000000 0.0000000 -3.2613187 9 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 -0.2608448 0.0000000 -0.3532721 -2.1994429 10 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 -0.2608448 0.0000000 -0.3532721 -2.1994429 11 Se -1.9820891 0.0000000 0.0000000 0.0000000 -1.8928983 0.0000000 0.0000000 0.0000000 -3.2613187 12 Se -2.9922709 0.0000000 0.0000000 0.0000000 -2.1384386 0.2608448 0.0000000 0.3532721 -2.1994429 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xyx) 0.00000004 (xyx) 0.00000004 (xxy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 13 13 5 ] 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: 0.64, Number of G-points: 307, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/147) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 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 1.252 ( 0.000 0.000 0.000) 0.000 1.558 ( 0.000 0.000 0.000) 0.000 1.822 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.192 ( 0.000 0.000 0.000) 0.000 2.374 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 3.002 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 4.116 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.602 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.059 ( 0.000 0.000 0.000) 0.000 5.059 ( 0.000 0.000 0.000) 0.000 5.281 ( 0.000 0.000 0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.316 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.674 ( 0.000 0.000 0.000) 0.000 5.719 ( 0.000 0.000 0.000) 0.000 5.793 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/147) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 20.968 -1.563 0.000) 21.026 0.476 ( 25.999 4.612 0.000) 26.404 0.818 ( 37.162 -14.469 0.000) 39.879 1.309 ( 5.641 -0.142 0.000) 5.643 1.516 ( -3.318 -0.046 0.000) 3.318 1.889 ( 6.312 -0.195 0.000) 6.315 2.029 ( 2.481 0.575 0.000) 2.547 2.141 ( 5.550 3.062 0.000) 6.338 2.252 ( 6.212 4.346 0.000) 7.581 2.384 ( 0.152 -3.288 0.000) 3.291 2.667 ( -4.552 1.186 0.000) 4.704 2.755 ( 1.153 3.945 0.000) 4.110 2.951 ( -6.080 -4.469 0.000) 7.546 3.020 ( 5.953 -1.549 0.000) 6.152 3.091 ( 3.495 0.925 0.000) 3.616 3.210 ( 0.075 2.550 0.000) 2.551 3.510 ( 1.691 -6.063 0.000) 6.295 3.595 ( -2.506 -3.736 0.000) 4.499 3.887 ( 7.582 -0.126 0.000) 7.583 4.035 ( 5.328 0.158 0.000) 5.330 4.307 ( 2.855 0.520 0.000) 2.902 4.341 ( -1.649 -0.211 0.000) 1.662 4.586 ( -1.546 0.273 0.000) 1.570 4.910 ( 0.115 14.729 0.000) 14.729 4.986 ( -1.239 4.153 0.000) 4.334 5.056 ( -0.304 -0.024 0.000) 0.305 5.154 ( -3.438 -9.376 0.000) 9.986 5.235 ( -1.549 0.263 0.000) 1.571 5.328 ( 1.945 0.343 0.000) 1.976 5.397 ( 5.057 -0.836 0.000) 5.125 5.518 ( -1.466 1.216 0.000) 1.905 5.584 ( -1.425 -0.118 0.000) 1.430 5.657 ( -0.954 1.754 0.000) 1.997 5.727 ( -0.242 -2.756 0.000) 2.766 5.748 ( -0.629 6.040 0.000) 6.073 6.100 ( -1.675 -2.619 0.000) 3.109 ======================= Grid point 2 (3/147) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 19.104 -1.053 0.000) 19.133 0.943 ( 25.308 5.026 0.000) 25.803 1.456 ( 8.616 0.327 0.000) 8.622 1.478 ( 0.795 -0.432 0.000) 0.905 1.571 ( 32.381 -10.987 0.000) 34.195 2.032 ( 7.219 -1.253 0.000) 7.327 2.101 ( 5.702 1.966 0.000) 6.032 2.245 ( 6.265 3.205 0.000) 7.037 2.323 ( 3.143 4.296 0.000) 5.323 2.414 ( 0.394 -3.147 0.000) 3.172 2.580 ( -2.996 2.038 0.000) 3.624 2.728 ( -3.497 5.301 0.000) 6.351 2.884 ( -1.069 -5.956 0.000) 6.051 3.136 ( 4.447 -2.393 0.000) 5.050 3.164 ( 4.576 3.993 0.000) 6.073 3.216 ( 2.533 0.477 0.000) 2.578 3.552 ( -2.962 -6.172 0.000) 6.846 3.635 ( 6.748 -3.555 0.000) 7.627 4.070 ( 10.356 -0.143 0.000) 10.357 4.162 ( 7.359 0.022 0.000) 7.359 4.297 ( -3.088 -0.395 0.000) 3.114 4.374 ( 4.182 0.311 0.000) 4.194 4.542 ( -2.644 0.504 0.000) 2.692 4.806 ( -4.640 6.388 0.000) 7.895 4.900 ( -6.198 -1.319 0.000) 6.337 5.050 ( -0.226 0.117 0.000) 0.255 5.132 ( -1.342 0.549 0.000) 1.450 5.230 ( 0.824 0.042 0.000) 0.825 5.379 ( 3.277 0.526 0.000) 3.319 5.478 ( -1.648 1.331 0.000) 2.119 5.485 ( 3.103 2.579 0.000) 4.035 5.566 ( 0.523 -1.977 0.000) 2.045 5.624 ( -1.372 1.615 0.000) 2.119 5.688 ( -2.837 2.146 0.000) 3.558 5.735 ( -0.554 -2.483 0.000) 2.544 6.073 ( -1.559 1.253 0.000) 2.000 ======================= Grid point 3 (4/147) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 15.882 -0.407 0.000) 15.887 1.382 ( 23.092 5.444 0.000) 23.725 1.533 ( 5.676 -0.794 0.000) 5.731 1.657 ( 10.782 0.029 0.000) 10.782 2.118 ( 17.402 -0.806 0.000) 17.420 2.166 ( 5.681 -3.600 0.000) 6.726 2.204 ( 5.841 3.954 0.000) 7.053 2.332 ( -0.275 1.684 0.000) 1.707 2.335 ( 6.137 3.386 0.000) 7.009 2.409 ( -2.295 -1.138 0.000) 2.562 2.546 ( -0.433 -1.922 0.000) 1.970 2.572 ( -9.433 -0.666 0.000) 9.457 2.966 ( 5.870 0.852 0.000) 5.931 3.199 ( 2.843 2.136 0.000) 3.556 3.239 ( 4.309 -1.158 0.000) 4.462 3.309 ( 5.933 -2.106 0.000) 6.296 3.549 ( -0.944 -9.737 0.000) 9.783 3.817 ( 10.230 0.264 0.000) 10.233 4.228 ( -3.590 -0.411 0.000) 3.614 4.246 ( 6.729 0.096 0.000) 6.730 4.304 ( 6.428 -0.362 0.000) 6.438 4.457 ( 4.322 -0.083 0.000) 4.323 4.499 ( -0.541 0.316 0.000) 0.626 4.660 ( -7.676 2.025 0.000) 7.938 4.797 ( -4.851 -2.223 0.000) 5.336 5.047 ( 0.159 0.443 0.000) 0.471 5.101 ( -0.468 4.048 0.000) 4.075 5.253 ( 1.411 0.137 0.000) 1.418 5.409 ( -1.004 0.255 0.000) 1.036 5.448 ( -0.615 0.847 0.000) 1.047 5.500 ( 2.890 4.278 0.000) 5.163 5.590 ( -1.264 0.885 0.000) 1.542 5.614 ( -1.012 -0.439 0.000) 1.104 5.647 ( 2.182 -1.143 0.000) 2.463 5.733 ( -0.779 -1.095 0.000) 1.343 6.026 ( -1.889 3.434 0.000) 3.919 ======================= Grid point 4 (5/147) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 11.733 0.030 0.000) 11.733 1.687 ( 9.004 -1.536 0.000) 9.135 1.749 ( 17.520 5.532 0.000) 18.373 1.855 ( 8.961 -0.120 0.000) 8.962 2.202 ( 0.805 2.002 0.000) 2.158 2.236 ( 0.112 5.193 0.000) 5.194 2.273 ( -7.175 -1.925 0.000) 7.429 2.341 ( -3.378 0.809 0.000) 3.473 2.352 ( 6.043 2.894 0.000) 6.700 2.441 ( -3.788 -0.988 0.000) 3.915 2.441 ( 8.100 3.774 0.000) 8.936 2.573 ( 0.915 -4.313 0.000) 4.409 3.046 ( 3.030 3.490 0.000) 4.622 3.240 ( 1.629 0.481 0.000) 1.699 3.295 ( -1.823 -7.382 0.000) 7.604 3.414 ( 0.048 -5.811 0.000) 5.812 3.719 ( 14.684 -6.672 0.000) 16.129 3.998 ( 9.429 3.501 0.000) 10.058 4.159 ( -3.475 -0.457 0.000) 3.504 4.316 ( 1.443 0.277 0.000) 1.469 4.408 ( 4.351 0.083 0.000) 4.352 4.508 ( -4.035 0.027 0.000) 4.035 4.538 ( 1.417 0.537 0.000) 1.515 4.543 ( 4.007 -0.648 0.000) 4.059 4.757 ( -0.541 -2.735 0.000) 2.788 5.050 ( 0.469 0.754 0.000) 0.887 5.065 ( -1.013 3.897 0.000) 4.027 5.279 ( 1.239 -0.204 0.000) 1.256 5.371 ( -1.583 0.981 0.000) 1.862 5.445 ( 0.453 0.299 0.000) 0.543 5.523 ( 0.662 2.833 0.000) 2.909 5.568 ( -0.799 -0.089 0.000) 0.804 5.595 ( -0.277 -0.823 0.000) 0.868 5.707 ( 2.340 -0.007 0.000) 2.340 5.718 ( -0.954 0.377 0.000) 1.026 5.966 ( -1.760 4.472 0.000) 4.806 ======================= Grid point 5 (6/147) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( 6.933 0.299 0.000) 6.939 1.870 ( 7.973 -1.214 0.000) 8.065 1.947 ( -1.409 -2.396 0.000) 2.779 1.957 ( 6.101 4.648 0.000) 7.669 2.135 ( -2.852 7.587 0.000) 8.106 2.167 ( -0.939 -0.144 0.000) 0.950 2.204 ( -0.290 1.290 0.000) 1.322 2.298 ( -0.995 0.342 0.000) 1.052 2.397 ( -2.031 -0.652 0.000) 2.133 2.419 ( 1.637 2.363 0.000) 2.875 2.564 ( 6.736 -1.916 0.000) 7.003 2.697 ( 10.875 1.570 0.000) 10.987 3.037 ( -1.365 3.692 0.000) 3.937 3.229 ( -3.910 -1.866 0.000) 4.332 3.257 ( -6.329 -7.526 0.000) 9.833 3.397 ( -3.298 -4.302 0.000) 5.420 3.987 ( 5.801 0.893 0.000) 5.869 4.106 ( -2.207 -0.337 0.000) 2.232 4.215 ( 16.402 -2.040 0.000) 16.528 4.346 ( 2.210 0.342 0.000) 2.236 4.463 ( 0.890 0.703 0.000) 1.134 4.472 ( 2.434 0.105 0.000) 2.437 4.567 ( 0.886 1.289 0.000) 1.564 4.613 ( 2.376 -0.823 0.000) 2.514 4.797 ( 2.215 -3.181 0.000) 3.876 5.012 ( -2.856 1.919 0.000) 3.441 5.055 ( 0.465 0.751 0.000) 0.883 5.308 ( 1.506 -0.889 0.000) 1.749 5.352 ( 0.151 0.398 0.000) 0.426 5.457 ( 0.720 -0.024 0.000) 0.720 5.501 ( -1.200 1.717 0.000) 2.095 5.561 ( -0.144 -0.838 0.000) 0.850 5.581 ( -2.126 0.332 0.000) 2.151 5.693 ( -1.068 1.208 0.000) 1.612 5.736 ( 1.189 0.913 0.000) 1.499 5.916 ( -0.781 3.618 0.000) 3.701 ======================= Grid point 6 (7/147) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 1.803 0.233 0.000) 1.819 1.868 ( -2.856 -1.036 0.000) 3.038 1.932 ( -2.052 3.401 0.000) 3.972 2.018 ( 3.788 -1.193 0.000) 3.971 2.131 ( 2.848 1.422 0.000) 3.184 2.182 ( -1.495 0.434 0.000) 1.556 2.192 ( 1.400 0.933 0.000) 1.682 2.298 ( 0.626 -0.204 0.000) 0.658 2.364 ( -1.442 -0.393 0.000) 1.495 2.397 ( -1.258 0.541 0.000) 1.369 2.747 ( 8.093 -1.527 0.000) 8.236 2.891 ( 9.944 5.367 0.000) 11.300 2.984 ( -1.548 1.637 0.000) 2.253 3.132 ( -6.070 -1.192 0.000) 6.186 3.135 ( -8.639 -6.597 0.000) 10.870 3.376 ( -0.519 -0.737 0.000) 0.902 4.017 ( 0.108 0.536 0.000) 0.547 4.079 ( -0.718 -0.122 0.000) 0.728 4.385 ( 1.419 0.196 0.000) 1.432 4.494 ( 5.518 1.852 0.000) 5.820 4.502 ( 0.756 0.032 0.000) 0.757 4.522 ( 4.732 -3.498 0.000) 5.884 4.565 ( 1.975 1.987 0.000) 2.801 4.643 ( 0.500 -0.377 0.000) 0.626 4.854 ( 1.705 -2.229 0.000) 2.807 4.934 ( -4.040 0.836 0.000) 4.125 5.059 ( 0.187 0.318 0.000) 0.369 5.342 ( 1.269 -0.900 0.000) 1.556 5.366 ( 0.639 -0.081 0.000) 0.644 5.467 ( 0.299 -0.052 0.000) 0.303 5.471 ( -0.380 0.674 0.000) 0.774 5.517 ( -3.109 1.116 0.000) 3.303 5.568 ( 0.192 -0.634 0.000) 0.663 5.669 ( -0.623 0.788 0.000) 1.005 5.748 ( 0.483 0.464 0.000) 0.670 5.894 ( -0.143 1.300 0.000) 1.308 ======================= Grid point 14 (8/147) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 19.436 0.000 0.000) 19.436 0.982 ( 24.894 0.000 0.000) 24.894 1.458 ( 9.453 0.000 0.000) 9.453 1.476 ( -0.088 -0.000 0.000) 0.088 1.499 ( 35.436 0.000 0.000) 35.436 2.023 ( 6.797 0.000 0.000) 6.797 2.114 ( 6.049 0.000 0.000) 6.049 2.265 ( 5.860 0.000 0.000) 5.860 2.369 ( -0.390 -0.000 0.000) 0.390 2.375 ( 3.685 0.000 0.000) 3.685 2.592 ( -3.677 -0.000 0.000) 3.677 2.773 ( -10.154 -0.000 0.000) 10.154 2.834 ( 5.754 0.000 0.000) 5.754 3.120 ( 4.625 0.000 0.000) 4.625 3.186 ( 5.899 0.000 0.000) 5.899 3.226 ( 1.124 0.000 0.000) 1.124 3.511 ( -3.617 -0.000 0.000) 3.617 3.615 ( 8.137 0.000 0.000) 8.137 4.069 ( 10.418 0.000 0.000) 10.418 4.162 ( 7.252 0.000 0.000) 7.252 4.294 ( -3.082 -0.000 0.000) 3.082 4.375 ( 3.976 0.000 0.000) 3.976 4.545 ( -2.673 -0.000 0.000) 2.673 4.860 ( -4.921 -0.000 0.000) 4.921 4.877 ( -9.260 -0.000 0.000) 9.260 5.051 ( -0.165 -0.000 0.000) 0.165 5.135 ( 0.543 0.000 0.000) 0.543 5.230 ( 0.837 0.000 0.000) 0.837 5.382 ( 3.033 0.000 0.000) 3.033 5.486 ( -1.943 -0.000 0.000) 1.943 5.505 ( 5.989 0.000 0.000) 5.989 5.550 ( -1.627 -0.000 0.000) 1.627 5.636 ( -1.736 -0.000 0.000) 1.736 5.701 ( -4.033 -0.000 0.000) 4.033 5.718 ( 0.112 0.000 0.000) 0.112 6.081 ( -0.836 -0.000 0.000) 0.836 ======================= Grid point 15 (9/147) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 16.212 -0.145 0.000) 16.213 1.434 ( 22.663 2.691 0.000) 22.823 1.527 ( 5.349 -0.240 0.000) 5.354 1.657 ( 10.788 -0.022 0.000) 10.788 2.096 ( 23.550 -1.664 0.000) 23.609 2.133 ( 4.199 -1.490 0.000) 4.456 2.246 ( 6.727 2.105 0.000) 7.049 2.347 ( -1.813 0.798 0.000) 1.981 2.366 ( 6.413 1.548 0.000) 6.598 2.399 ( -1.276 -0.600 0.000) 1.410 2.529 ( -2.849 -0.889 0.000) 2.984 2.567 ( -10.369 -0.214 0.000) 10.371 2.972 ( 7.433 0.262 0.000) 7.438 3.197 ( 3.102 -0.805 0.000) 3.205 3.252 ( 1.577 0.649 0.000) 1.705 3.320 ( 8.058 4.553 0.000) 9.256 3.439 ( -3.441 -8.336 0.000) 9.018 3.820 ( 11.921 0.136 0.000) 11.922 4.224 ( -3.730 -0.161 0.000) 3.733 4.248 ( 7.017 0.090 0.000) 7.018 4.301 ( 6.460 -0.175 0.000) 6.463 4.456 ( 4.272 -0.060 0.000) 4.272 4.501 ( -0.856 0.122 0.000) 0.865 4.680 ( -9.608 1.227 0.000) 9.686 4.775 ( -4.196 -1.250 0.000) 4.378 5.051 ( 0.266 0.165 0.000) 0.313 5.133 ( -0.358 1.453 0.000) 1.496 5.254 ( 1.387 0.041 0.000) 1.388 5.411 ( -0.670 0.061 0.000) 0.673 5.455 ( -0.969 0.271 0.000) 1.006 5.540 ( 2.013 2.293 0.000) 3.052 5.599 ( -1.789 0.438 0.000) 1.842 5.608 ( 0.593 -0.459 0.000) 0.750 5.634 ( 0.654 -0.850 0.000) 1.073 5.723 ( 0.056 -0.484 0.000) 0.487 6.054 ( -1.588 1.306 0.000) 2.056 ======================= Grid point 16 (10/147) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 11.913 0.107 0.000) 11.913 1.673 ( 8.891 -0.895 0.000) 8.936 1.804 ( 16.783 3.567 0.000) 17.157 1.853 ( 8.646 -0.162 0.000) 8.648 2.198 ( 1.575 -1.257 0.000) 2.015 2.254 ( -7.994 -1.198 0.000) 8.083 2.275 ( -0.227 1.649 0.000) 1.665 2.351 ( -2.798 0.817 0.000) 2.915 2.405 ( 8.356 5.107 0.000) 9.793 2.432 ( -3.488 -0.613 0.000) 3.542 2.489 ( 6.877 2.473 0.000) 7.308 2.532 ( 2.747 -1.664 0.000) 3.211 3.077 ( 3.347 1.807 0.000) 3.804 3.224 ( -4.193 -4.518 0.000) 6.164 3.252 ( 0.885 1.618 0.000) 1.844 3.348 ( -1.534 -5.417 0.000) 5.630 3.656 ( 18.270 -3.904 0.000) 18.682 4.029 ( 9.290 1.773 0.000) 9.458 4.154 ( -3.427 -0.278 0.000) 3.438 4.319 ( 1.477 0.200 0.000) 1.491 4.408 ( 4.483 0.022 0.000) 4.483 4.509 ( -3.646 0.173 0.000) 3.651 4.537 ( 3.735 -0.357 0.000) 3.752 4.543 ( 1.422 0.396 0.000) 1.477 4.731 ( -0.952 -1.745 0.000) 1.988 5.057 ( 0.510 0.440 0.000) 0.673 5.102 ( -1.890 2.309 0.000) 2.984 5.277 ( 0.933 -0.129 0.000) 0.942 5.379 ( -1.589 0.511 0.000) 1.669 5.447 ( 0.208 0.132 0.000) 0.246 5.549 ( -1.228 1.528 0.000) 1.961 5.567 ( -1.259 -0.020 0.000) 1.259 5.588 ( 0.686 -0.383 0.000) 0.786 5.706 ( 3.103 -0.105 0.000) 3.104 5.722 ( -0.386 0.205 0.000) 0.437 6.007 ( -2.039 2.517 0.000) 3.239 ======================= Grid point 17 (11/147) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 7.011 0.255 0.000) 7.016 1.855 ( 8.580 -1.246 0.000) 8.670 1.925 ( -2.715 -1.383 0.000) 3.047 2.001 ( 5.336 2.920 0.000) 6.082 2.168 ( 1.105 0.138 0.000) 1.113 2.194 ( -2.162 2.026 0.000) 2.963 2.227 ( -2.555 2.861 0.000) 3.836 2.301 ( -1.907 0.081 0.000) 1.909 2.391 ( -1.811 -0.376 0.000) 1.849 2.453 ( 1.060 3.360 0.000) 3.523 2.561 ( 5.713 1.616 0.000) 5.937 2.717 ( 13.475 1.675 0.000) 13.579 3.073 ( -2.042 2.483 0.000) 3.215 3.141 ( -7.738 -9.494 0.000) 12.248 3.226 ( -4.368 -1.034 0.000) 4.489 3.353 ( -0.480 -3.138 0.000) 3.175 4.010 ( 10.349 2.773 0.000) 10.714 4.102 ( -2.125 -0.294 0.000) 2.145 4.180 ( 11.720 -3.787 0.000) 12.316 4.350 ( 2.209 0.281 0.000) 2.227 4.474 ( 2.391 0.085 0.000) 2.392 4.477 ( 1.886 1.422 0.000) 2.362 4.583 ( 1.514 1.420 0.000) 2.075 4.605 ( 2.516 -0.589 0.000) 2.584 4.760 ( 2.075 -3.122 0.000) 3.748 5.033 ( -3.952 1.601 0.000) 4.263 5.063 ( 0.312 0.548 0.000) 0.630 5.299 ( 1.346 -0.644 0.000) 1.492 5.358 ( -0.320 0.472 0.000) 0.571 5.457 ( 0.673 0.005 0.000) 0.673 5.515 ( -1.490 0.808 0.000) 1.695 5.553 ( -0.314 -0.565 0.000) 0.647 5.584 ( -1.691 0.190 0.000) 1.702 5.705 ( -1.010 0.788 0.000) 1.281 5.745 ( 1.268 0.684 0.000) 1.441 5.953 ( -1.846 2.620 0.000) 3.205 ======================= Grid point 18 (12/147) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 1.574 0.194 0.000) 1.586 1.861 ( -1.551 -0.333 0.000) 1.586 1.979 ( -3.879 4.229 0.000) 5.739 1.999 ( 4.206 -1.881 0.000) 4.608 2.146 ( 0.161 1.086 0.000) 1.098 2.185 ( -2.008 0.317 0.000) 2.033 2.208 ( 1.370 1.779 0.000) 2.246 2.291 ( 0.610 -0.870 0.000) 1.063 2.360 ( -1.193 -0.253 0.000) 1.219 2.413 ( -1.338 2.530 0.000) 2.862 2.730 ( 7.802 -2.252 0.000) 8.120 2.936 ( 6.138 2.355 0.000) 6.574 3.002 ( -3.211 1.366 0.000) 3.490 3.056 ( -2.191 -5.229 0.000) 5.669 3.118 ( -5.548 -2.014 0.000) 5.902 3.364 ( 0.229 -1.190 0.000) 1.212 4.042 ( 0.377 3.570 0.000) 3.589 4.077 ( -0.614 -0.187 0.000) 0.642 4.387 ( 1.248 0.212 0.000) 1.266 4.469 ( 8.063 -4.443 0.000) 9.206 4.502 ( 0.696 -0.004 0.000) 0.696 4.520 ( 2.432 1.519 0.000) 2.867 4.590 ( 1.601 2.313 0.000) 2.813 4.639 ( 0.920 -0.268 0.000) 0.959 4.821 ( 2.155 -3.080 0.000) 3.760 4.945 ( -3.788 0.905 0.000) 3.895 5.062 ( -0.155 0.268 0.000) 0.309 5.336 ( 1.762 -0.200 0.000) 1.773 5.364 ( 1.070 -0.297 0.000) 1.110 5.468 ( 0.401 0.074 0.000) 0.408 5.479 ( -1.574 0.690 0.000) 1.718 5.526 ( -3.466 0.440 0.000) 3.494 5.561 ( 0.615 -0.623 0.000) 0.875 5.677 ( -1.266 0.628 0.000) 1.413 5.753 ( -0.020 0.394 0.000) 0.394 5.909 ( -1.547 1.241 0.000) 1.983 ======================= Grid point 19 (13/147) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -2.044 -0.222 0.000) 2.056 1.885 ( 4.032 1.768 0.000) 4.402 1.908 ( -1.302 -0.728 0.000) 1.492 2.022 ( -2.427 -0.495 0.000) 2.477 2.113 ( -4.694 -1.678 0.000) 4.985 2.171 ( 0.312 -1.654 0.000) 1.683 2.189 ( -2.243 0.561 0.000) 2.312 2.296 ( -0.561 -0.475 0.000) 0.735 2.369 ( 1.834 0.444 0.000) 1.887 2.401 ( 1.178 1.512 0.000) 1.916 2.766 ( -6.251 0.159 0.000) 6.253 2.824 ( -9.759 -4.467 0.000) 10.733 2.965 ( -0.333 -1.534 0.000) 1.570 3.130 ( 5.645 -0.827 0.000) 5.705 3.210 ( 11.127 5.523 0.000) 12.423 3.379 ( 1.247 -0.334 0.000) 1.291 4.032 ( 0.377 3.098 0.000) 3.121 4.080 ( 0.830 0.012 0.000) 0.830 4.383 ( -1.596 -0.124 0.000) 1.601 4.465 ( -6.760 -2.903 0.000) 7.357 4.502 ( -0.793 -0.061 0.000) 0.795 4.545 ( -1.885 -1.407 0.000) 2.352 4.561 ( -3.973 2.965 0.000) 4.957 4.647 ( -0.086 0.404 0.000) 0.413 4.866 ( -0.546 -0.167 0.000) 0.571 4.931 ( 3.815 0.545 0.000) 3.854 5.055 ( -0.543 -0.294 0.000) 0.617 5.355 ( -0.414 1.185 0.000) 1.255 5.367 ( -0.528 0.368 0.000) 0.643 5.463 ( -1.144 -0.643 0.000) 1.313 5.469 ( -0.229 0.178 0.000) 0.290 5.501 ( 2.651 -1.758 0.000) 3.181 5.575 ( 0.499 0.490 0.000) 0.699 5.660 ( -0.274 -0.772 0.000) 0.819 5.743 ( -0.975 -0.407 0.000) 1.057 5.880 ( -1.327 -1.022 0.000) 1.675 ======================= Grid point 20 (14/147) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -6.760 -0.270 0.000) 6.766 1.882 ( -7.020 0.784 0.000) 7.063 1.897 ( -6.071 -5.513 0.000) 8.201 1.979 ( -0.998 2.936 0.000) 3.101 2.048 ( -1.270 -7.001 0.000) 7.115 2.172 ( 3.857 0.631 0.000) 3.909 2.176 ( -1.728 -3.834 0.000) 4.205 2.293 ( 0.239 -0.617 0.000) 0.662 2.406 ( 2.228 0.860 0.000) 2.388 2.411 ( -0.422 1.246 0.000) 1.315 2.588 ( -8.983 1.379 0.000) 9.088 2.688 ( -5.454 0.556 0.000) 5.482 2.990 ( 0.340 -4.245 0.000) 4.258 3.237 ( 3.052 0.301 0.000) 3.067 3.340 ( 6.075 5.878 0.000) 8.453 3.445 ( 6.152 3.733 0.000) 7.196 3.992 ( -4.147 1.754 0.000) 4.502 4.109 ( 2.317 0.257 0.000) 2.331 4.224 ( -17.723 -0.528 0.000) 17.731 4.343 ( -2.202 -0.290 0.000) 2.221 4.462 ( -0.683 0.485 0.000) 0.838 4.471 ( -2.470 -0.097 0.000) 2.472 4.555 ( -0.646 -0.659 0.000) 0.922 4.623 ( -2.230 0.867 0.000) 2.392 4.829 ( -2.009 2.098 0.000) 2.905 4.993 ( 1.676 -1.177 0.000) 2.048 5.046 ( -0.638 -0.772 0.000) 1.002 5.318 ( -1.826 0.973 0.000) 2.069 5.349 ( -0.890 -0.138 0.000) 0.900 5.457 ( -0.849 0.063 0.000) 0.852 5.476 ( 0.662 -2.516 0.000) 2.601 5.572 ( -0.054 1.025 0.000) 1.026 5.575 ( 3.023 -0.617 0.000) 3.085 5.678 ( 1.190 -1.485 0.000) 1.903 5.725 ( -1.111 -0.925 0.000) 1.446 5.873 ( -0.627 -3.663 0.000) 3.716 ======================= Grid point 21 (15/147) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -11.447 0.186 0.000) 11.449 1.684 ( -17.486 -5.379 0.000) 18.295 1.707 ( -8.954 1.841 0.000) 9.141 1.855 ( -9.489 -0.130 0.000) 9.490 2.135 ( 0.641 -9.460 0.000) 9.482 2.152 ( -2.835 -7.944 0.000) 8.435 2.289 ( 3.162 0.349 0.000) 3.181 2.342 ( 6.762 1.462 0.000) 6.919 2.365 ( -2.689 4.303 0.000) 5.074 2.411 ( -8.847 -1.806 0.000) 9.029 2.455 ( 4.499 1.465 0.000) 4.732 2.626 ( -0.694 4.820 0.000) 4.870 2.997 ( -2.738 -4.886 0.000) 5.601 3.238 ( -1.934 0.092 0.000) 1.936 3.386 ( 1.882 8.098 0.000) 8.314 3.480 ( -2.091 5.624 0.000) 6.000 3.801 ( -11.491 7.073 0.000) 13.493 3.950 ( -9.822 -4.784 0.000) 10.925 4.164 ( 3.558 0.487 0.000) 3.591 4.313 ( -1.317 -0.208 0.000) 1.333 4.406 ( -4.298 -0.157 0.000) 4.301 4.509 ( 3.662 0.246 0.000) 3.671 4.532 ( -0.701 -0.376 0.000) 0.795 4.552 ( -4.324 0.799 0.000) 4.397 4.790 ( 0.181 2.739 0.000) 2.745 5.017 ( -0.394 -4.180 0.000) 4.199 5.041 ( -0.408 -0.871 0.000) 0.962 5.281 ( -1.674 0.161 0.000) 1.681 5.357 ( 1.262 -1.450 0.000) 1.922 5.440 ( -0.867 -0.454 0.000) 0.979 5.487 ( -1.610 -3.162 0.000) 3.549 5.569 ( 0.224 0.188 0.000) 0.293 5.605 ( 0.623 0.749 0.000) 0.974 5.706 ( -1.629 -0.096 0.000) 1.632 5.713 ( 1.749 -0.481 0.000) 1.814 5.907 ( 1.439 -5.461 0.000) 5.647 ======================= Grid point 22 (16/147) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -15.459 0.612 0.000) 15.471 1.325 ( -21.926 -3.841 0.000) 22.260 1.546 ( -6.177 1.398 0.000) 6.333 1.656 ( -10.667 -0.227 0.000) 10.669 2.085 ( -8.662 -6.317 0.000) 10.721 2.146 ( -6.811 -4.593 0.000) 8.215 2.230 ( -6.109 4.367 0.000) 7.509 2.303 ( -6.136 -0.899 0.000) 6.202 2.311 ( -0.793 -1.989 0.000) 2.142 2.423 ( 2.452 1.181 0.000) 2.722 2.570 ( -2.363 2.199 0.000) 3.228 2.583 ( 7.532 1.211 0.000) 7.629 2.952 ( -2.905 -1.570 0.000) 3.302 3.172 ( -5.165 -1.417 0.000) 5.355 3.279 ( -6.809 4.959 0.000) 8.424 3.344 ( -5.492 3.578 0.000) 6.555 3.652 ( -0.737 7.586 0.000) 7.622 3.817 ( -6.390 0.348 0.000) 6.399 4.233 ( 2.664 0.433 0.000) 2.699 4.247 ( -5.581 0.253 0.000) 5.587 4.308 ( -6.279 0.258 0.000) 6.284 4.457 ( -4.415 -0.082 0.000) 4.415 4.495 ( -0.064 -0.381 0.000) 0.387 4.639 ( 5.719 -1.422 0.000) 5.893 4.822 ( 4.328 1.913 0.000) 4.732 5.041 ( 0.031 -0.590 0.000) 0.591 5.043 ( 0.706 -5.674 0.000) 5.717 5.251 ( -1.526 -0.304 0.000) 1.556 5.403 ( 1.923 -0.889 0.000) 2.119 5.435 ( -0.047 -1.381 0.000) 1.382 5.450 ( -3.531 -3.877 0.000) 5.244 5.581 ( 0.788 -0.725 0.000) 1.071 5.617 ( 0.795 -0.045 0.000) 0.796 5.657 ( -2.790 0.575 0.000) 2.849 5.746 ( 1.842 1.180 0.000) 2.187 5.979 ( 2.713 -4.405 0.000) 5.173 ======================= Grid point 23 (17/147) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( -18.352 1.485 0.000) 18.412 0.904 ( -22.640 -0.528 0.000) 22.646 1.450 ( -7.405 -0.795 0.000) 7.448 1.488 ( -2.145 1.237 0.000) 2.476 1.714 ( -26.407 12.373 0.000) 29.162 2.027 ( -6.675 -3.216 0.000) 7.409 2.092 ( -6.799 1.700 0.000) 7.008 2.199 ( -6.561 -4.478 0.000) 7.944 2.275 ( -4.734 -3.842 0.000) 6.097 2.444 ( 0.623 1.971 0.000) 2.068 2.550 ( 0.818 -2.816 0.000) 2.932 2.667 ( 0.221 -4.999 0.000) 5.004 2.954 ( 4.778 5.963 0.000) 7.641 3.101 ( -3.968 -5.481 0.000) 6.767 3.174 ( -3.095 3.374 0.000) 4.578 3.216 ( -5.995 -0.019 0.000) 5.995 3.628 ( 1.932 5.962 0.000) 6.267 3.697 ( -3.359 7.187 0.000) 7.933 4.073 ( -10.199 0.358 0.000) 10.206 4.162 ( -7.635 -0.098 0.000) 7.636 4.303 ( 3.105 0.691 0.000) 3.181 4.368 ( -4.753 -0.691 0.000) 4.803 4.533 ( 2.553 -0.903 0.000) 2.708 4.723 ( -0.155 -7.654 0.000) 7.656 4.903 ( 3.632 -0.755 0.000) 3.710 5.048 ( 0.395 -0.182 0.000) 0.435 5.123 ( 5.298 -1.096 0.000) 5.410 5.228 ( -0.941 -0.387 0.000) 1.017 5.372 ( -3.361 -0.659 0.000) 3.425 5.455 ( 0.893 -2.462 0.000) 2.619 5.457 ( -0.494 -2.084 0.000) 2.142 5.586 ( -1.646 1.202 0.000) 2.038 5.606 ( 1.198 -1.263 0.000) 1.741 5.657 ( 0.681 -2.886 0.000) 2.965 5.767 ( 1.506 2.892 0.000) 3.260 6.055 ( 3.251 -1.759 0.000) 3.696 ======================= Grid point 24 (18/147) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -19.189 3.505 0.000) 19.506 0.485 ( -17.276 8.383 0.000) 19.202 1.046 ( -30.599 22.374 0.000) 37.906 1.312 ( -5.464 0.246 0.000) 5.469 1.518 ( 3.510 0.260 0.000) 3.520 1.890 ( -7.313 -0.198 0.000) 7.316 2.014 ( -1.687 -2.441 0.000) 2.967 2.093 ( -6.102 -3.952 0.000) 7.270 2.185 ( -6.694 -6.347 0.000) 9.225 2.428 ( -0.193 3.707 0.000) 3.712 2.631 ( 4.402 -5.252 0.000) 6.853 2.691 ( -0.486 -6.273 0.000) 6.292 3.026 ( 5.515 7.619 0.000) 9.405 3.031 ( -6.475 -0.953 0.000) 6.545 3.075 ( -4.005 -1.461 0.000) 4.263 3.182 ( 0.780 -1.080 0.000) 1.332 3.609 ( 0.037 9.721 0.000) 9.721 3.667 ( 6.205 7.406 0.000) 9.662 3.890 ( -7.547 0.385 0.000) 7.557 4.032 ( -5.469 -0.457 0.000) 5.488 4.295 ( -3.249 -1.546 0.000) 3.598 4.346 ( 1.650 0.576 0.000) 1.748 4.580 ( 1.550 -0.773 0.000) 1.733 4.684 ( -14.468 -19.878 0.000) 24.586 4.964 ( 2.020 -1.567 0.000) 2.557 5.056 ( 0.377 0.079 0.000) 0.385 5.224 ( 1.435 0.145 0.000) 1.442 5.238 ( 6.265 3.375 0.000) 7.116 5.326 ( -1.189 0.317 0.000) 1.230 5.410 ( -3.580 1.271 0.000) 3.799 5.492 ( 0.952 -3.192 0.000) 3.331 5.582 ( 0.413 -0.881 0.000) 0.973 5.636 ( 0.959 -1.491 0.000) 1.773 5.669 ( -2.772 -5.481 0.000) 6.142 5.769 ( 0.780 4.082 0.000) 4.155 6.129 ( 4.712 1.661 0.000) 4.996 ======================= Grid point 25 (19/147) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.128 ( -0.000 10.520 0.000) 10.520 0.288 ( -0.000 24.655 0.000) 24.655 0.400 ( -0.000 34.364 0.000) 34.364 1.255 ( -0.000 0.401 0.000) 0.401 1.561 ( -0.000 0.492 0.000) 0.492 1.813 ( 0.000 -1.432 0.000) 1.432 1.992 ( -0.000 0.886 0.000) 0.886 2.069 ( 0.000 -4.063 0.000) 4.063 2.147 ( 0.000 -6.610 0.000) 6.610 2.403 ( -0.000 4.006 0.000) 4.006 2.721 ( 0.000 -5.258 0.000) 5.258 2.740 ( 0.000 -5.681 0.000) 5.681 2.937 ( 0.000 -0.237 0.000) 0.237 3.041 ( 0.000 -1.019 0.000) 1.019 3.044 ( -0.000 6.326 0.000) 6.326 3.213 ( 0.000 -0.945 0.000) 0.945 3.572 ( -0.000 6.540 0.000) 6.540 3.811 ( -0.000 0.284 0.000) 0.284 3.978 ( 0.000 -0.448 0.000) 0.448 4.041 ( 0.000 -2.356 0.000) 2.356 4.110 ( 0.000 -1.009 0.000) 1.009 4.272 ( 0.000 -1.118 0.000) 1.118 4.359 ( -0.000 0.406 0.000) 0.406 4.599 ( 0.000 -0.525 0.000) 0.525 4.993 ( 0.000 -1.164 0.000) 1.164 5.060 ( -0.000 0.113 0.000) 0.113 5.251 ( 0.000 -3.048 0.000) 3.048 5.319 ( -0.000 0.470 0.000) 0.470 5.344 ( -0.000 3.635 0.000) 3.635 5.357 ( -0.000 0.732 0.000) 0.732 5.520 ( 0.000 -2.823 0.000) 2.823 5.559 ( 0.000 -2.941 0.000) 2.941 5.614 ( -0.000 1.715 0.000) 1.715 5.656 ( 0.000 -1.800 0.000) 1.800 5.752 ( -0.000 4.233 0.000) 4.233 6.215 ( 0.000 -0.424 0.000) 0.424 ======================= Grid point 28 (20/147) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 11.977 0.000 0.000) 11.977 1.668 ( 8.817 0.000 0.000) 8.817 1.825 ( 16.341 0.000 0.000) 16.341 1.852 ( 8.543 0.000 0.000) 8.543 2.189 ( 2.463 0.000 0.000) 2.463 2.247 ( -8.063 -0.000 0.000) 8.063 2.282 ( -0.931 -0.000 0.000) 0.931 2.356 ( -2.806 -0.000 0.000) 2.806 2.428 ( -3.381 -0.000 0.000) 3.381 2.454 ( 14.297 0.000 0.000) 14.297 2.472 ( -1.772 -0.000 0.000) 1.772 2.540 ( 7.368 0.000 0.000) 7.368 3.087 ( 3.478 0.000 0.000) 3.478 3.197 ( -5.905 -0.000 0.000) 5.905 3.271 ( -0.621 -0.000 0.000) 0.621 3.305 ( -0.994 -0.000 0.000) 0.994 3.633 ( 19.808 0.000 0.000) 19.808 4.039 ( 9.241 0.000 0.000) 9.241 4.153 ( -3.413 -0.000 0.000) 3.413 4.320 ( 1.476 0.000 0.000) 1.476 4.408 ( 4.554 0.000 0.000) 4.554 4.510 ( -3.352 -0.000 0.000) 3.352 4.535 ( 3.626 0.000 0.000) 3.626 4.546 ( 1.322 0.000 0.000) 1.322 4.720 ( -1.146 -0.000 0.000) 1.146 5.060 ( 0.524 0.000 0.000) 0.524 5.116 ( -2.186 -0.000 0.000) 2.186 5.276 ( 0.818 0.000 0.000) 0.818 5.382 ( -1.554 -0.000 0.000) 1.554 5.448 ( 0.130 0.000 0.000) 0.130 5.557 ( -2.440 -0.000 0.000) 2.440 5.567 ( -1.438 -0.000 0.000) 1.438 5.586 ( 1.418 0.000 0.000) 1.418 5.705 ( 3.489 0.000 0.000) 3.489 5.723 ( -0.178 -0.000 0.000) 0.178 6.022 ( -2.151 -0.000 0.000) 2.151 ======================= Grid point 29 (21/147) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 7.019 0.104 0.000) 7.020 1.844 ( 8.667 -0.533 0.000) 8.684 1.915 ( -3.025 -0.433 0.000) 3.056 2.024 ( 4.456 0.933 0.000) 4.552 2.169 ( 2.184 0.098 0.000) 2.186 2.213 ( -0.612 1.627 0.000) 1.739 2.239 ( -3.007 -0.791 0.000) 3.110 2.301 ( -2.569 -0.010 0.000) 2.569 2.388 ( -1.647 -0.117 0.000) 1.651 2.491 ( 3.764 2.274 0.000) 4.397 2.588 ( 0.802 1.957 0.000) 2.114 2.732 ( 14.553 0.771 0.000) 14.574 3.051 ( -7.994 -4.951 0.000) 9.403 3.093 ( -2.372 0.873 0.000) 2.528 3.216 ( -5.291 -0.564 0.000) 5.321 3.329 ( 1.267 -1.048 0.000) 1.644 4.044 ( 18.571 2.519 0.000) 18.741 4.099 ( -2.083 -0.117 0.000) 2.086 4.137 ( 3.475 -2.925 0.000) 4.543 4.352 ( 2.206 0.109 0.000) 2.209 4.474 ( 2.359 0.033 0.000) 2.359 4.490 ( 2.485 0.696 0.000) 2.581 4.597 ( 2.257 0.785 0.000) 2.390 4.600 ( 2.605 -0.214 0.000) 2.614 4.731 ( 1.693 -1.486 0.000) 2.252 5.046 ( -4.624 0.612 0.000) 4.664 5.067 ( 0.221 0.201 0.000) 0.299 5.293 ( 1.272 -0.239 0.000) 1.294 5.362 ( -0.522 0.217 0.000) 0.565 5.457 ( 0.676 0.007 0.000) 0.676 5.521 ( -1.525 0.191 0.000) 1.537 5.549 ( -0.425 -0.202 0.000) 0.471 5.585 ( -1.603 0.080 0.000) 1.605 5.711 ( -0.987 0.274 0.000) 1.024 5.751 ( 1.304 0.255 0.000) 1.328 5.974 ( -2.407 0.952 0.000) 2.589 ======================= Grid point 30 (22/147) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 1.408 0.111 0.000) 1.412 1.859 ( -0.392 0.065 0.000) 0.398 1.979 ( 3.998 -1.374 0.000) 4.227 2.020 ( -3.212 2.598 0.000) 4.132 2.154 ( -3.090 0.377 0.000) 3.113 2.190 ( -2.519 0.336 0.000) 2.542 2.230 ( 1.883 1.830 0.000) 2.626 2.278 ( 0.369 -1.282 0.000) 1.334 2.358 ( -1.096 -0.116 0.000) 1.102 2.465 ( -1.120 6.741 0.000) 6.833 2.673 ( 2.773 -7.854 0.000) 8.329 2.955 ( 1.385 1.762 0.000) 2.241 3.014 ( -4.333 0.775 0.000) 4.402 3.024 ( 10.456 -1.037 0.000) 10.507 3.089 ( -7.018 -2.594 0.000) 7.482 3.352 ( 0.651 -0.768 0.000) 1.007 4.075 ( -0.541 -0.139 0.000) 0.558 4.088 ( 0.133 3.756 0.000) 3.758 4.390 ( 1.125 0.139 0.000) 1.133 4.419 ( 9.918 -3.730 0.000) 10.596 4.502 ( 0.638 -0.016 0.000) 0.638 4.534 ( 1.467 0.845 0.000) 1.693 4.616 ( 0.869 1.907 0.000) 2.096 4.637 ( 1.236 -0.132 0.000) 1.243 4.788 ( 2.816 -2.422 0.000) 3.714 4.953 ( -3.781 0.459 0.000) 3.809 5.065 ( -0.403 0.153 0.000) 0.431 5.336 ( 2.717 0.190 0.000) 2.724 5.360 ( 0.643 -0.354 0.000) 0.734 5.469 ( 0.495 0.098 0.000) 0.504 5.486 ( -2.017 0.483 0.000) 2.074 5.529 ( -3.833 0.039 0.000) 3.833 5.555 ( 0.820 -0.400 0.000) 0.913 5.683 ( -1.644 0.344 0.000) 1.680 5.757 ( -0.390 0.223 0.000) 0.449 5.921 ( -2.542 0.762 0.000) 2.653 ======================= Grid point 31 (23/147) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -2.241 -0.161 0.000) 2.247 1.908 ( 5.096 2.276 0.000) 5.582 1.915 ( -4.575 1.882 0.000) 4.946 2.008 ( -1.096 -1.887 0.000) 2.182 2.089 ( -5.929 -2.711 0.000) 6.519 2.148 ( -1.695 -1.926 0.000) 2.566 2.202 ( -3.437 1.497 0.000) 3.749 2.287 ( -0.296 -0.940 0.000) 0.986 2.374 ( 2.241 0.346 0.000) 2.267 2.436 ( 1.377 4.457 0.000) 4.665 2.703 ( -4.193 -8.374 0.000) 9.365 2.834 ( -8.928 3.380 0.000) 9.546 2.950 ( -1.995 -1.084 0.000) 2.271 3.116 ( 6.690 -1.442 0.000) 6.844 3.260 ( 11.869 3.200 0.000) 12.293 3.370 ( 1.423 -0.975 0.000) 1.725 4.079 ( 0.924 -0.052 0.000) 0.926 4.080 ( 1.049 4.663 0.000) 4.780 4.382 ( -1.739 -0.053 0.000) 1.740 4.429 ( -8.299 -3.147 0.000) 8.876 4.501 ( -0.800 -0.059 0.000) 0.802 4.533 ( -2.206 -0.778 0.000) 2.339 4.589 ( -2.802 1.919 0.000) 3.396 4.652 ( 0.230 0.313 0.000) 0.388 4.856 ( 1.004 -1.213 0.000) 1.574 4.941 ( 3.345 0.930 0.000) 3.472 5.052 ( -0.831 -0.206 0.000) 0.856 5.362 ( 0.839 0.158 0.000) 0.854 5.382 ( -1.068 1.869 0.000) 2.152 5.456 ( -2.553 -0.698 0.000) 2.647 5.471 ( -0.207 0.204 0.000) 0.291 5.478 ( 2.172 -1.983 0.000) 2.941 5.579 ( 1.367 0.277 0.000) 1.394 5.652 ( -1.284 -0.558 0.000) 1.400 5.739 ( -1.336 -0.254 0.000) 1.360 5.871 ( -2.521 -0.611 0.000) 2.594 ======================= Grid point 32 (24/147) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -6.544 -0.203 0.000) 6.547 1.837 ( -6.679 -4.672 0.000) 8.150 1.888 ( -6.370 0.392 0.000) 6.382 1.979 ( -5.198 -4.880 0.000) 7.130 2.012 ( -3.771 2.600 0.000) 4.580 2.123 ( -3.474 -4.827 0.000) 5.948 2.181 ( 7.307 0.981 0.000) 7.373 2.285 ( -0.215 -0.730 0.000) 0.762 2.416 ( 2.459 0.900 0.000) 2.619 2.443 ( 1.202 3.868 0.000) 4.051 2.588 ( -10.321 -1.104 0.000) 10.380 2.709 ( -1.295 2.482 0.000) 2.799 2.943 ( -0.940 -3.874 0.000) 3.987 3.239 ( 3.308 0.093 0.000) 3.310 3.390 ( 6.090 2.750 0.000) 6.682 3.481 ( 8.269 2.467 0.000) 8.629 4.026 ( -5.459 3.837 0.000) 6.673 4.111 ( 2.431 0.135 0.000) 2.434 4.206 ( -15.861 -2.298 0.000) 16.026 4.340 ( -2.187 -0.181 0.000) 2.194 4.469 ( -1.103 0.470 0.000) 1.199 4.470 ( -2.492 -0.071 0.000) 2.493 4.553 ( -0.979 0.375 0.000) 1.048 4.632 ( -2.111 0.716 0.000) 2.229 4.843 ( -1.625 0.357 0.000) 1.664 4.988 ( 0.790 0.349 0.000) 0.864 5.038 ( -0.792 -0.623 0.000) 1.008 5.329 ( -2.457 0.901 0.000) 2.617 5.349 ( -1.758 0.061 0.000) 1.759 5.445 ( 0.213 -2.734 0.000) 2.742 5.458 ( -1.033 0.081 0.000) 1.036 5.567 ( 4.201 -0.828 0.000) 4.282 5.585 ( -0.325 1.147 0.000) 1.192 5.660 ( 1.442 -1.579 0.000) 2.138 5.715 ( -1.154 -0.779 0.000) 1.392 5.835 ( -2.028 -2.793 0.000) 3.451 ======================= Grid point 33 (25/147) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -11.067 0.357 0.000) 11.073 1.632 ( -15.865 -3.494 0.000) 16.245 1.729 ( -8.607 1.816 0.000) 8.797 1.851 ( -10.239 -0.418 0.000) 10.248 2.008 ( 1.157 -11.344 0.000) 11.403 2.068 ( -5.461 -6.806 0.000) 8.726 2.282 ( 0.433 -1.053 0.000) 1.139 2.370 ( 7.875 2.723 0.000) 8.332 2.393 ( -9.561 -1.189 0.000) 9.635 2.428 ( -0.348 5.829 0.000) 5.839 2.477 ( 6.407 2.571 0.000) 6.903 2.680 ( -1.031 4.420 0.000) 4.539 2.935 ( -2.807 -5.732 0.000) 6.383 3.241 ( -1.938 0.328 0.000) 1.966 3.474 ( 3.194 6.892 0.000) 7.597 3.545 ( -2.099 5.693 0.000) 6.068 3.856 ( -9.540 -0.932 0.000) 9.586 3.908 ( -11.434 0.854 0.000) 11.466 4.169 ( 3.665 0.390 0.000) 3.686 4.312 ( -1.092 -0.071 0.000) 1.095 4.404 ( -4.382 -0.194 0.000) 4.387 4.511 ( 1.580 -0.021 0.000) 1.580 4.532 ( 1.678 0.459 0.000) 1.739 4.561 ( -4.596 0.765 0.000) 4.659 4.815 ( -0.135 1.303 0.000) 1.310 4.976 ( -2.045 -2.541 0.000) 3.262 5.031 ( -0.340 -0.788 0.000) 0.859 5.282 ( -2.217 -0.091 0.000) 2.219 5.338 ( 0.466 -1.796 0.000) 1.856 5.435 ( -1.378 -0.502 0.000) 1.467 5.453 ( -1.381 -2.568 0.000) 2.915 5.572 ( -0.318 0.248 0.000) 0.403 5.611 ( 0.433 0.358 0.000) 0.562 5.706 ( -0.910 0.062 0.000) 0.912 5.707 ( 2.598 -0.485 0.000) 2.643 5.844 ( 1.144 -5.328 0.000) 5.449 ======================= Grid point 34 (26/147) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -15.215 0.737 0.000) 15.233 1.305 ( -18.274 0.661 0.000) 18.286 1.565 ( -6.772 1.788 0.000) 7.004 1.652 ( -10.223 -0.441 0.000) 10.233 1.999 ( -6.327 -7.915 0.000) 10.133 2.066 ( -3.343 -9.234 0.000) 9.821 2.243 ( -6.418 -1.136 0.000) 6.518 2.287 ( -1.254 -1.971 0.000) 2.336 2.344 ( -6.063 6.697 0.000) 9.034 2.436 ( 1.968 0.970 0.000) 2.194 2.595 ( -5.019 1.975 0.000) 5.394 2.600 ( 4.427 1.859 0.000) 4.801 2.930 ( 1.252 -2.294 0.000) 2.613 3.168 ( -5.852 0.390 0.000) 5.865 3.343 ( -9.928 5.192 0.000) 11.204 3.391 ( -7.104 5.006 0.000) 8.691 3.713 ( -2.919 2.783 0.000) 4.033 3.832 ( -0.613 2.265 0.000) 2.346 4.237 ( 0.937 0.349 0.000) 1.000 4.253 ( -3.624 0.689 0.000) 3.689 4.310 ( -5.975 -0.058 0.000) 5.976 4.455 ( -4.501 -0.243 0.000) 4.508 4.491 ( -0.868 -0.313 0.000) 0.923 4.629 ( 3.856 -0.259 0.000) 3.864 4.835 ( 2.301 0.015 0.000) 2.301 4.978 ( 1.511 -4.988 0.000) 5.212 5.034 ( 0.263 -0.584 0.000) 0.640 5.246 ( -1.738 -0.596 0.000) 1.837 5.383 ( 2.463 -2.550 0.000) 3.546 5.418 ( -0.844 -1.618 0.000) 1.824 5.421 ( -2.842 -1.110 0.000) 3.052 5.574 ( 0.541 -0.380 0.000) 0.662 5.611 ( -0.178 -1.013 0.000) 1.029 5.661 ( -3.248 0.137 0.000) 3.251 5.759 ( 2.800 0.979 0.000) 2.966 5.929 ( 4.124 -4.097 0.000) 5.813 ======================= Grid point 35 (27/147) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -17.767 1.089 0.000) 17.800 0.945 ( -15.793 7.696 0.000) 17.568 1.440 ( -7.338 -0.812 0.000) 7.383 1.506 ( -2.367 1.898 0.000) 3.034 1.827 ( -17.864 5.870 0.000) 18.804 1.975 ( -5.971 -4.755 0.000) 7.633 2.127 ( -10.570 3.488 0.000) 11.131 2.150 ( -5.471 -3.340 0.000) 6.410 2.236 ( -5.806 -2.927 0.000) 6.503 2.460 ( 1.083 0.877 0.000) 1.393 2.518 ( -2.404 -2.635 0.000) 3.567 2.613 ( -1.916 -4.290 0.000) 4.698 3.018 ( 7.483 5.135 0.000) 9.075 3.049 ( -5.020 -3.113 0.000) 5.907 3.212 ( -6.058 -0.193 0.000) 6.061 3.214 ( -5.593 2.870 0.000) 6.286 3.680 ( 0.843 2.978 0.000) 3.095 3.793 ( -0.034 8.760 0.000) 8.760 4.079 ( -10.017 0.667 0.000) 10.039 4.160 ( -7.978 -0.265 0.000) 7.983 4.312 ( 3.125 0.818 0.000) 3.230 4.358 ( -5.537 -0.961 0.000) 5.620 4.522 ( 2.397 -1.108 0.000) 2.641 4.634 ( -5.782 -7.586 0.000) 9.538 4.887 ( 2.571 -1.718 0.000) 3.093 5.046 ( 0.636 -0.171 0.000) 0.659 5.106 ( 8.169 -1.953 0.000) 8.399 5.222 ( -0.942 -0.427 0.000) 1.034 5.369 ( -2.322 0.471 0.000) 2.369 5.423 ( 0.038 -2.951 0.000) 2.951 5.436 ( 0.955 -1.575 0.000) 1.842 5.592 ( -2.788 -0.138 0.000) 2.791 5.595 ( 1.243 -0.655 0.000) 1.405 5.625 ( -0.077 -2.516 0.000) 2.517 5.799 ( 2.346 2.569 0.000) 3.479 6.035 ( 4.989 -1.656 0.000) 5.257 ======================= Grid point 36 (28/147) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -17.237 3.012 0.000) 17.498 0.653 ( -4.731 19.058 0.000) 19.637 1.305 ( -24.545 21.561 0.000) 32.671 1.313 ( -5.094 0.041 0.000) 5.094 1.524 ( 3.575 0.795 0.000) 3.662 1.884 ( -8.517 -0.720 0.000) 8.548 1.967 ( -2.147 -5.255 0.000) 5.677 2.066 ( -4.735 -0.955 0.000) 4.831 2.117 ( -7.782 -5.227 0.000) 9.375 2.463 ( 0.183 2.192 0.000) 2.200 2.550 ( 2.063 -8.386 0.000) 8.636 2.619 ( -0.520 -6.023 0.000) 6.045 2.996 ( -4.692 -4.208 0.000) 6.302 3.062 ( -5.546 -0.948 0.000) 5.627 3.116 ( 5.772 7.671 0.000) 9.600 3.185 ( 0.640 1.000 0.000) 1.187 3.710 ( 2.810 5.623 0.000) 6.286 3.754 ( 4.575 8.955 0.000) 10.056 3.896 ( -7.503 0.654 0.000) 7.531 4.025 ( -5.725 -0.713 0.000) 5.769 4.271 ( -4.108 -2.469 0.000) 4.793 4.354 ( 1.650 0.793 0.000) 1.831 4.484 ( -17.582 -14.551 0.000) 22.823 4.569 ( 1.550 -1.139 0.000) 1.923 4.945 ( 2.112 -1.540 0.000) 2.614 5.058 ( 0.505 0.152 0.000) 0.527 5.212 ( -0.159 -1.330 0.000) 1.339 5.269 ( 7.488 1.509 0.000) 7.639 5.336 ( -0.381 1.325 0.000) 1.379 5.422 ( -2.150 0.646 0.000) 2.245 5.449 ( 0.375 -3.999 0.000) 4.017 5.553 ( -2.949 -3.747 0.000) 4.768 5.624 ( 1.093 -0.772 0.000) 1.338 5.640 ( 0.371 -0.173 0.000) 0.409 5.816 ( 1.274 3.896 0.000) 4.099 6.138 ( 5.185 0.103 0.000) 5.186 ======================= Grid point 37 (29/147) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( -0.000 7.894 0.000) 7.894 0.566 ( -0.000 23.330 0.000) 23.330 0.790 ( -0.000 32.933 0.000) 32.933 1.260 ( -0.000 0.504 0.000) 0.504 1.569 ( -0.000 0.868 0.000) 0.868 1.792 ( 0.000 -2.082 0.000) 2.082 2.004 ( -0.000 1.039 0.000) 1.039 2.008 ( 0.000 -6.120 0.000) 6.120 2.063 ( 0.000 -7.213 0.000) 7.213 2.448 ( -0.000 3.304 0.000) 3.304 2.646 ( 0.000 -10.407 0.000) 10.407 2.652 ( 0.000 -6.279 0.000) 6.279 2.932 ( 0.000 -0.840 0.000) 0.840 3.025 ( 0.000 -1.564 0.000) 1.564 3.130 ( -0.000 8.041 0.000) 8.041 3.203 ( 0.000 -0.641 0.000) 0.641 3.670 ( -0.000 9.836 0.000) 9.836 3.815 ( -0.000 0.557 0.000) 0.557 3.971 ( 0.000 -0.848 0.000) 0.848 3.999 ( 0.000 -4.802 0.000) 4.802 4.094 ( 0.000 -1.714 0.000) 1.714 4.254 ( 0.000 -2.004 0.000) 2.004 4.365 ( -0.000 0.705 0.000) 0.705 4.590 ( 0.000 -0.970 0.000) 0.970 4.976 ( 0.000 -1.625 0.000) 1.625 5.062 ( -0.000 0.223 0.000) 0.223 5.221 ( 0.000 -1.989 0.000) 1.989 5.327 ( -0.000 0.877 0.000) 0.877 5.369 ( -0.000 1.203 0.000) 1.203 5.381 ( -0.000 2.516 0.000) 2.516 5.478 ( 0.000 -4.245 0.000) 4.245 5.519 ( 0.000 -4.043 0.000) 4.043 5.636 ( -0.000 2.004 0.000) 2.004 5.640 ( 0.000 -0.954 0.000) 0.954 5.804 ( -0.000 4.491 0.000) 4.491 6.208 ( 0.000 -0.781 0.000) 0.781 ======================= Grid point 42 (30/147) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 1.347 0.000 0.000) 1.347 1.860 ( 0.111 0.000 0.000) 0.111 1.970 ( 3.805 0.000 0.000) 3.805 2.036 ( -2.254 -0.000 0.000) 2.254 2.156 ( -4.799 -0.000 0.000) 4.799 2.192 ( -2.558 -0.000 0.000) 2.558 2.244 ( 2.883 0.000 0.000) 2.883 2.267 ( -0.493 -0.000 0.000) 0.493 2.358 ( -1.077 -0.000 0.000) 1.077 2.560 ( -0.338 -0.000 0.000) 0.338 2.569 ( -1.011 -0.000 0.000) 1.011 2.973 ( 2.812 0.000 0.000) 2.812 3.015 ( 13.057 0.000 0.000) 13.057 3.019 ( -4.728 -0.000 0.000) 4.728 3.072 ( -7.758 -0.000 0.000) 7.758 3.348 ( 0.767 0.000 0.000) 0.767 4.074 ( -0.514 -0.000 0.000) 0.514 4.113 ( -0.324 -0.000 0.000) 0.324 4.390 ( 1.080 0.000 0.000) 1.080 4.395 ( 11.024 0.000 0.000) 11.024 4.502 ( 0.615 0.000 0.000) 0.615 4.539 ( 1.125 0.000 0.000) 1.125 4.628 ( 0.328 0.000 0.000) 0.328 4.636 ( 1.353 0.000 0.000) 1.353 4.773 ( 3.305 0.000 0.000) 3.305 4.955 ( -3.826 -0.000 0.000) 3.826 5.066 ( -0.493 -0.000 0.000) 0.493 5.338 ( 3.556 0.000 0.000) 3.556 5.357 ( -0.045 -0.000 0.000) 0.045 5.469 ( 0.533 0.000 0.000) 0.533 5.489 ( -2.028 -0.000 0.000) 2.028 5.529 ( -4.044 -0.000 0.000) 4.044 5.552 ( 0.879 0.000 0.000) 0.879 5.685 ( -1.769 -0.000 0.000) 1.769 5.758 ( -0.525 -0.000 0.000) 0.525 5.926 ( -2.899 -0.000 0.000) 2.899 ======================= Grid point 43 (31/147) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -2.352 -0.059 0.000) 2.353 1.934 ( 6.925 1.827 0.000) 7.162 1.942 ( -6.636 2.044 0.000) 6.944 1.984 ( -1.631 -1.765 0.000) 2.403 2.055 ( -6.371 -2.409 0.000) 6.811 2.133 ( -3.244 -0.599 0.000) 3.298 2.218 ( -4.543 0.942 0.000) 4.640 2.277 ( 0.355 -0.664 0.000) 0.753 2.377 ( 2.500 0.129 0.000) 2.503 2.500 ( 0.097 6.138 0.000) 6.139 2.606 ( -0.489 -7.646 0.000) 7.661 2.867 ( -9.963 1.724 0.000) 10.111 2.941 ( -2.979 -0.391 0.000) 3.005 3.101 ( 8.149 -0.816 0.000) 8.190 3.285 ( 12.803 1.114 0.000) 12.851 3.360 ( 0.834 -0.575 0.000) 1.013 4.079 ( 0.978 -0.031 0.000) 0.979 4.125 ( 1.872 2.446 0.000) 3.080 4.382 ( -1.818 -0.012 0.000) 1.818 4.399 ( -9.506 -1.665 0.000) 9.651 4.500 ( -0.795 -0.024 0.000) 0.796 4.527 ( -2.399 -0.237 0.000) 2.411 4.604 ( -2.292 0.682 0.000) 2.392 4.654 ( 0.397 0.118 0.000) 0.415 4.845 ( 1.693 -0.573 0.000) 1.788 4.949 ( 3.431 0.343 0.000) 3.448 5.050 ( -0.992 -0.074 0.000) 0.995 5.363 ( 0.696 0.074 0.000) 0.700 5.403 ( 0.026 1.440 0.000) 1.441 5.446 ( -4.082 -0.911 0.000) 4.182 5.460 ( 1.928 -0.847 0.000) 2.106 5.473 ( -0.213 0.091 0.000) 0.231 5.581 ( 2.029 0.082 0.000) 2.031 5.647 ( -2.011 -0.202 0.000) 2.021 5.737 ( -1.516 -0.082 0.000) 1.518 5.866 ( -3.185 -0.199 0.000) 3.191 ======================= Grid point 44 (32/147) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -6.369 -0.110 0.000) 6.370 1.795 ( -8.561 -2.458 0.000) 8.907 1.891 ( -6.086 0.144 0.000) 6.088 1.935 ( -6.669 -2.691 0.000) 7.191 2.036 ( -6.062 1.504 0.000) 6.246 2.076 ( -4.203 -3.015 0.000) 5.172 2.192 ( 10.294 0.798 0.000) 10.325 2.277 ( -0.457 -0.540 0.000) 0.708 2.425 ( 2.770 0.628 0.000) 2.841 2.490 ( 1.078 3.849 0.000) 3.997 2.570 ( -8.166 -1.877 0.000) 8.379 2.734 ( -0.691 1.623 0.000) 1.763 2.905 ( -2.143 -2.387 0.000) 3.208 3.239 ( 3.783 0.015 0.000) 3.783 3.408 ( 6.538 0.653 0.000) 6.571 3.503 ( 9.401 1.341 0.000) 9.496 4.074 ( -9.678 4.281 0.000) 10.583 4.112 ( 2.517 0.045 0.000) 2.517 4.174 ( -11.567 -3.121 0.000) 11.981 4.338 ( -2.170 -0.079 0.000) 2.172 4.470 ( -2.502 -0.037 0.000) 2.502 4.472 ( -1.154 0.059 0.000) 1.155 4.561 ( -1.600 0.686 0.000) 1.741 4.639 ( -2.037 0.404 0.000) 2.076 4.841 ( -1.438 -0.423 0.000) 1.499 4.997 ( 0.533 0.883 0.000) 1.032 5.032 ( -0.897 -0.346 0.000) 0.961 5.339 ( -3.207 0.690 0.000) 3.281 5.349 ( -2.856 -0.031 0.000) 2.856 5.417 ( 0.346 -1.881 0.000) 1.913 5.459 ( -1.196 0.058 0.000) 1.197 5.558 ( 5.240 -0.634 0.000) 5.278 5.598 ( -0.915 1.116 0.000) 1.443 5.642 ( 2.045 -1.379 0.000) 2.467 5.708 ( -1.359 -0.471 0.000) 1.438 5.811 ( -2.966 -1.430 0.000) 3.293 ======================= Grid point 45 (33/147) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -10.675 0.344 0.000) 10.680 1.606 ( -12.426 -0.856 0.000) 12.455 1.748 ( -7.943 1.429 0.000) 8.071 1.846 ( -11.194 -0.530 0.000) 11.207 1.887 ( -1.686 -9.258 0.000) 9.411 1.999 ( -5.846 -4.784 0.000) 7.554 2.270 ( -0.280 -0.923 0.000) 0.965 2.382 ( -9.601 -0.783 0.000) 9.633 2.395 ( 6.158 1.594 0.000) 6.360 2.490 ( 0.308 4.664 0.000) 4.674 2.515 ( 9.814 3.732 0.000) 10.500 2.724 ( -1.330 3.076 0.000) 3.351 2.869 ( -3.717 -5.463 0.000) 6.608 3.245 ( -1.862 0.342 0.000) 1.893 3.544 ( 4.686 5.261 0.000) 7.045 3.608 ( 0.854 4.755 0.000) 4.831 3.800 ( -12.101 -5.879 0.000) 13.454 3.948 ( -11.736 3.379 0.000) 12.212 4.173 ( 3.766 0.235 0.000) 3.773 4.311 ( -0.834 0.024 0.000) 0.834 4.402 ( -4.550 -0.161 0.000) 4.553 4.510 ( 0.266 -0.104 0.000) 0.286 4.541 ( 3.387 0.894 0.000) 3.503 4.569 ( -4.784 0.547 0.000) 4.815 4.817 ( -1.062 -0.830 0.000) 1.348 4.963 ( -3.003 0.098 0.000) 3.004 5.023 ( -0.281 -0.543 0.000) 0.611 5.278 ( -2.879 -0.495 0.000) 2.922 5.318 ( -0.312 -1.535 0.000) 1.566 5.429 ( -1.844 -0.390 0.000) 1.885 5.430 ( -0.442 -1.439 0.000) 1.505 5.575 ( -0.746 0.213 0.000) 0.775 5.613 ( -0.278 -0.052 0.000) 0.283 5.702 ( 3.321 -0.366 0.000) 3.341 5.709 ( 0.142 0.601 0.000) 0.618 5.788 ( 0.740 -4.247 0.000) 4.311 ======================= Grid point 46 (34/147) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -15.234 0.703 0.000) 15.250 1.343 ( -12.760 5.895 0.000) 14.056 1.586 ( -7.678 1.732 0.000) 7.870 1.646 ( -9.146 -0.538 0.000) 9.162 1.906 ( -5.504 -8.867 0.000) 10.436 1.947 ( -1.596 -9.918 0.000) 10.045 2.226 ( -6.944 -1.468 0.000) 7.097 2.266 ( -1.400 -1.619 0.000) 2.140 2.426 ( -5.427 6.820 0.000) 8.716 2.445 ( 1.480 0.604 0.000) 1.598 2.614 ( -7.736 1.182 0.000) 7.826 2.625 ( -0.132 2.320 0.000) 2.324 2.900 ( 6.456 -2.670 0.000) 6.987 3.176 ( -5.247 0.858 0.000) 5.316 3.381 ( -11.533 1.582 0.000) 11.641 3.472 ( -10.581 8.438 0.000) 13.534 3.723 ( -2.482 -0.535 0.000) 2.539 3.859 ( 2.923 1.808 0.000) 3.437 4.242 ( 0.703 0.357 0.000) 0.788 4.262 ( -3.237 0.864 0.000) 3.350 4.307 ( -5.549 -0.427 0.000) 5.565 4.453 ( -4.496 -0.074 0.000) 4.497 4.488 ( -1.687 -0.182 0.000) 1.697 4.634 ( 2.068 1.097 0.000) 2.341 4.811 ( -0.562 -4.285 0.000) 4.321 4.943 ( 2.756 -1.029 0.000) 2.942 5.028 ( 0.487 -0.452 0.000) 0.665 5.238 ( -1.729 -0.768 0.000) 1.892 5.355 ( 2.740 -1.990 0.000) 3.386 5.400 ( -1.553 -1.405 0.000) 2.094 5.417 ( -1.190 0.173 0.000) 1.203 5.571 ( 0.430 -0.136 0.000) 0.451 5.593 ( -1.460 -1.986 0.000) 2.465 5.662 ( -3.806 -0.042 0.000) 3.806 5.769 ( 3.541 0.670 0.000) 3.604 5.888 ( 5.771 -2.870 0.000) 6.445 ======================= Grid point 47 (35/147) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -17.877 0.258 0.000) 17.879 1.075 ( -8.302 14.142 0.000) 16.399 1.433 ( -7.593 -0.395 0.000) 7.603 1.530 ( -2.070 2.110 0.000) 2.956 1.831 ( -7.793 -4.275 0.000) 8.889 1.927 ( -5.646 -4.296 0.000) 7.095 2.113 ( -8.115 -2.249 0.000) 8.421 2.183 ( -11.272 5.249 0.000) 12.434 2.208 ( -6.218 -1.945 0.000) 6.515 2.466 ( 1.029 0.179 0.000) 1.044 2.489 ( -5.625 -2.515 0.000) 6.162 2.569 ( -3.518 -3.400 0.000) 4.892 3.034 ( -7.139 0.534 0.000) 7.159 3.070 ( 9.667 3.839 0.000) 10.402 3.201 ( -8.888 -1.109 0.000) 8.957 3.253 ( -5.340 3.683 0.000) 6.487 3.695 ( -0.491 -0.243 0.000) 0.548 3.889 ( 2.477 7.569 0.000) 7.964 4.089 ( -9.873 1.002 0.000) 9.924 4.155 ( -8.275 -0.523 0.000) 8.292 4.321 ( 3.141 0.755 0.000) 3.231 4.348 ( -6.308 -0.704 0.000) 6.347 4.509 ( 2.194 -1.063 0.000) 2.438 4.552 ( -10.297 -6.553 0.000) 12.206 4.868 ( 3.402 -1.434 0.000) 3.692 5.044 ( 0.902 -0.105 0.000) 0.908 5.077 ( 8.195 -2.920 0.000) 8.700 5.221 ( -0.035 0.245 0.000) 0.247 5.384 ( -1.014 2.092 0.000) 2.325 5.390 ( -0.664 -2.700 0.000) 2.780 5.419 ( 1.559 -1.456 0.000) 2.133 5.582 ( -4.374 -1.667 0.000) 4.681 5.590 ( 1.274 -0.283 0.000) 1.305 5.600 ( 0.999 -1.780 0.000) 2.041 5.826 ( 3.041 1.966 0.000) 3.621 6.018 ( 6.237 -1.237 0.000) 6.358 ======================= Grid point 48 (36/147) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -16.415 0.574 0.000) 16.425 0.892 ( 0.656 21.354 0.000) 21.364 1.313 ( -4.615 -0.015 0.000) 4.615 1.528 ( -17.112 16.281 0.000) 23.619 1.537 ( 3.248 1.435 0.000) 3.551 1.876 ( -6.262 -0.744 0.000) 6.306 1.908 ( -5.550 -4.101 0.000) 6.900 2.061 ( -3.876 -0.154 0.000) 3.879 2.068 ( -8.485 -3.137 0.000) 9.046 2.445 ( -1.732 -9.458 0.000) 9.616 2.479 ( 0.475 0.666 0.000) 0.818 2.555 ( -0.791 -5.106 0.000) 5.166 2.948 ( -3.693 -3.729 0.000) 5.248 3.053 ( -5.706 -0.610 0.000) 5.738 3.197 ( -0.578 0.843 0.000) 1.022 3.199 ( 6.372 6.579 0.000) 9.159 3.728 ( 3.858 -1.550 0.000) 4.158 3.874 ( 2.027 10.694 0.000) 10.885 3.905 ( -7.487 0.906 0.000) 7.541 4.016 ( -6.039 -0.898 0.000) 6.105 4.238 ( -6.015 -3.177 0.000) 6.802 4.348 ( -15.178 -9.066 0.000) 17.679 4.363 ( 1.649 0.819 0.000) 1.841 4.555 ( 1.533 -1.277 0.000) 1.995 4.931 ( 2.272 -0.774 0.000) 2.400 5.060 ( 0.663 0.232 0.000) 0.702 5.194 ( 0.790 -1.868 0.000) 2.028 5.276 ( 6.712 -0.094 0.000) 6.713 5.355 ( -0.560 1.886 0.000) 1.968 5.403 ( -0.061 -3.817 0.000) 3.817 5.425 ( -1.081 -0.135 0.000) 1.089 5.511 ( -4.247 -3.189 0.000) 5.311 5.617 ( 1.134 -0.401 0.000) 1.203 5.647 ( 2.500 0.941 0.000) 2.671 5.858 ( 1.720 3.234 0.000) 3.663 6.135 ( 5.104 -0.523 0.000) 5.131 ======================= Grid point 49 (37/147) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -0.000 3.447 0.000) 3.447 0.823 ( -0.000 20.893 0.000) 20.893 1.157 ( -0.000 30.234 0.000) 30.234 1.266 ( -0.000 0.394 0.000) 0.394 1.581 ( -0.000 1.043 0.000) 1.043 1.769 ( 0.000 -1.795 0.000) 1.795 1.937 ( 0.000 -5.701 0.000) 5.701 1.991 ( 0.000 -5.025 0.000) 5.025 2.013 ( -0.000 0.381 0.000) 0.381 2.476 ( -0.000 1.645 0.000) 1.645 2.508 ( 0.000 -12.999 0.000) 12.999 2.581 ( 0.000 -5.821 0.000) 5.821 2.915 ( 0.000 -2.014 0.000) 2.014 3.008 ( 0.000 -1.227 0.000) 1.227 3.197 ( 0.000 -0.463 0.000) 0.463 3.222 ( -0.000 7.748 0.000) 7.748 3.779 ( -0.000 7.159 0.000) 7.159 3.823 ( -0.000 0.798 0.000) 0.798 3.941 ( 0.000 -3.753 0.000) 3.753 3.959 ( 0.000 -1.151 0.000) 1.151 4.072 ( 0.000 -1.950 0.000) 1.950 4.227 ( 0.000 -2.457 0.000) 2.457 4.375 ( -0.000 0.826 0.000) 0.826 4.577 ( 0.000 -1.245 0.000) 1.245 4.959 ( 0.000 -1.164 0.000) 1.164 5.065 ( -0.000 0.328 0.000) 0.328 5.204 ( 0.000 -0.980 0.000) 0.980 5.338 ( -0.000 1.098 0.000) 1.098 5.384 ( -0.000 1.334 0.000) 1.334 5.396 ( 0.000 -0.185 0.000) 0.185 5.427 ( 0.000 -4.365 0.000) 4.365 5.470 ( 0.000 -3.991 0.000) 3.991 5.632 ( 0.000 -0.528 0.000) 0.528 5.661 ( -0.000 2.469 0.000) 2.469 5.853 ( -0.000 3.991 0.000) 3.991 6.197 ( 0.000 -1.006 0.000) 1.006 ======================= Grid point 56 (38/147) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -6.302 -0.000 0.000) 6.302 1.781 ( -9.686 -0.000 0.000) 9.686 1.892 ( -6.014 -0.000 0.000) 6.014 1.919 ( -6.714 -0.000 0.000) 6.714 2.045 ( -6.958 -0.000 0.000) 6.958 2.058 ( -4.453 -0.000 0.000) 4.453 2.197 ( 11.516 0.000 0.000) 11.516 2.274 ( -0.567 -0.000 0.000) 0.567 2.429 ( 2.946 0.000 0.000) 2.946 2.519 ( 0.644 0.000 0.000) 0.644 2.553 ( -6.800 -0.000 0.000) 6.800 2.744 ( -0.755 -0.000 0.000) 0.755 2.891 ( -2.667 -0.000 0.000) 2.667 3.239 ( 4.016 0.000 0.000) 4.016 3.411 ( 6.739 0.000 0.000) 6.739 3.511 ( 9.756 0.000 0.000) 9.756 4.110 ( -18.274 -0.000 0.000) 18.274 4.113 ( 2.549 0.000 0.000) 2.549 4.145 ( -3.043 -0.000 0.000) 3.043 4.338 ( -2.163 -0.000 0.000) 2.163 4.469 ( -2.505 -0.000 0.000) 2.505 4.472 ( -1.106 -0.000 0.000) 1.106 4.565 ( -1.861 -0.000 0.000) 1.861 4.641 ( -2.012 -0.000 0.000) 2.012 4.838 ( -1.420 -0.000 0.000) 1.420 5.003 ( 0.569 0.000 0.000) 0.569 5.030 ( -0.934 -0.000 0.000) 0.934 5.344 ( -3.001 -0.000 0.000) 3.001 5.348 ( -4.204 -0.000 0.000) 4.204 5.406 ( 0.770 0.000 0.000) 0.770 5.459 ( -1.261 -0.000 0.000) 1.261 5.554 ( 5.659 0.000 0.000) 5.659 5.607 ( -1.955 -0.000 0.000) 1.955 5.632 ( 3.096 0.000 0.000) 3.096 5.705 ( -1.492 -0.000 0.000) 1.492 5.802 ( -3.264 -0.000 0.000) 3.264 ======================= Grid point 58 (39/147) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( -10.418 0.141 0.000) 10.418 1.607 ( -8.301 0.485 0.000) 8.316 1.760 ( -7.230 0.577 0.000) 7.253 1.806 ( -5.442 -4.044 0.000) 6.780 1.841 ( -12.065 -0.267 0.000) 12.068 1.961 ( -5.909 -1.722 0.000) 6.155 2.263 ( -0.549 -0.348 0.000) 0.650 2.376 ( -9.669 -0.275 0.000) 9.673 2.407 ( 4.999 0.449 0.000) 5.019 2.529 ( 0.488 1.783 0.000) 1.848 2.553 ( 13.099 2.177 0.000) 13.279 2.749 ( -1.406 1.095 0.000) 1.782 2.819 ( -5.577 -2.664 0.000) 6.180 3.248 ( -1.796 0.149 0.000) 1.802 3.595 ( 9.096 3.071 0.000) 9.601 3.646 ( 4.087 1.656 0.000) 4.410 3.742 ( -17.941 -3.400 0.000) 18.261 3.974 ( -12.645 1.101 0.000) 12.693 4.175 ( 3.828 0.076 0.000) 3.829 4.312 ( -0.655 0.024 0.000) 0.655 4.401 ( -4.684 -0.063 0.000) 4.684 4.509 ( 0.094 0.002 0.000) 0.094 4.549 ( 3.968 0.429 0.000) 3.991 4.573 ( -4.879 0.198 0.000) 4.883 4.806 ( -2.182 -0.706 0.000) 2.293 4.969 ( -3.182 0.485 0.000) 3.218 5.019 ( -0.247 -0.193 0.000) 0.313 5.272 ( -3.376 -0.396 0.000) 3.399 5.305 ( -0.569 -0.545 0.000) 0.788 5.420 ( 0.237 -0.414 0.000) 0.477 5.426 ( -2.119 -0.146 0.000) 2.124 5.576 ( -0.989 0.084 0.000) 0.992 5.611 ( -1.009 -0.110 0.000) 1.015 5.699 ( 3.743 -0.137 0.000) 3.746 5.721 ( 2.209 1.360 0.000) 2.594 5.748 ( -0.735 -2.632 0.000) 2.733 ======================= Grid point 59 (40/147) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -15.386 0.441 0.000) 15.393 1.435 ( -6.730 9.343 0.000) 11.515 1.603 ( -9.368 1.166 0.000) 9.440 1.640 ( -7.148 -0.460 0.000) 7.163 1.776 ( -3.437 -12.278 0.000) 12.750 1.871 ( -4.165 -3.889 0.000) 5.698 2.212 ( -7.469 -0.906 0.000) 7.524 2.251 ( -1.444 -0.924 0.000) 1.715 2.450 ( 1.221 0.258 0.000) 1.248 2.494 ( -3.853 4.588 0.000) 5.991 2.621 ( -10.820 0.102 0.000) 10.820 2.650 ( -5.633 1.889 0.000) 5.941 2.872 ( 12.204 -2.072 0.000) 12.379 3.185 ( -4.586 0.614 0.000) 4.627 3.389 ( -13.515 0.236 0.000) 13.517 3.569 ( -11.994 7.723 0.000) 14.265 3.707 ( -1.969 -2.199 0.000) 2.952 3.868 ( 5.367 -0.038 0.000) 5.367 4.245 ( 1.392 0.249 0.000) 1.414 4.272 ( -4.016 0.813 0.000) 4.097 4.300 ( -5.013 -0.622 0.000) 5.052 4.454 ( -4.340 0.176 0.000) 4.344 4.486 ( -2.292 -0.070 0.000) 2.293 4.655 ( 0.318 2.599 0.000) 2.618 4.751 ( -1.141 -5.398 0.000) 5.517 4.942 ( 2.231 0.398 0.000) 2.267 5.024 ( 0.651 -0.243 0.000) 0.695 5.230 ( -1.282 -0.501 0.000) 1.376 5.338 ( 3.288 -0.973 0.000) 3.429 5.387 ( -2.026 -0.808 0.000) 2.181 5.422 ( 0.208 0.640 0.000) 0.673 5.569 ( -2.876 -1.888 0.000) 3.440 5.571 ( 0.378 -0.030 0.000) 0.379 5.661 ( -4.283 -0.065 0.000) 4.284 5.774 ( 4.009 0.335 0.000) 4.023 5.864 ( 7.022 -1.377 0.000) 7.156 ======================= Grid point 60 (41/147) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -18.638 -0.295 0.000) 18.641 1.258 ( -3.078 17.038 0.000) 17.314 1.431 ( -7.612 0.016 0.000) 7.612 1.552 ( -1.744 1.672 0.000) 2.416 1.758 ( -4.532 -8.179 0.000) 9.350 1.864 ( -1.390 -5.976 0.000) 6.135 2.088 ( -7.704 -2.120 0.000) 7.990 2.191 ( -6.128 -1.100 0.000) 6.225 2.247 ( -13.958 5.372 0.000) 14.956 2.459 ( -7.879 -2.669 0.000) 8.318 2.466 ( 0.702 0.014 0.000) 0.702 2.536 ( -4.680 -2.338 0.000) 5.232 3.054 ( -7.980 2.269 0.000) 8.296 3.106 ( 11.260 2.328 0.000) 11.498 3.188 ( -8.873 -1.092 0.000) 8.940 3.300 ( -8.425 4.330 0.000) 9.473 3.677 ( -2.076 -2.696 0.000) 3.403 3.962 ( 4.611 4.844 0.000) 6.688 4.102 ( -9.835 1.210 0.000) 9.909 4.148 ( -8.418 -0.805 0.000) 8.456 4.329 ( 3.151 0.527 0.000) 3.195 4.345 ( -6.761 0.247 0.000) 6.766 4.485 ( -13.123 -4.900 0.000) 14.008 4.498 ( 1.992 -0.766 0.000) 2.134 4.857 ( 5.253 -0.459 0.000) 5.273 5.042 ( 6.407 -2.957 0.000) 7.056 5.044 ( 1.137 -0.035 0.000) 1.138 5.227 ( 0.982 0.621 0.000) 1.162 5.363 ( -1.153 -1.873 0.000) 2.199 5.402 ( 1.172 -1.079 0.000) 1.594 5.418 ( 0.330 3.298 0.000) 3.314 5.553 ( -1.730 -3.179 0.000) 3.619 5.585 ( -1.144 -0.903 0.000) 1.457 5.588 ( 1.268 -0.104 0.000) 1.273 5.844 ( 3.545 1.225 0.000) 3.751 6.007 ( 6.931 -0.718 0.000) 6.968 ======================= Grid point 61 (42/147) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -17.199 -1.940 0.000) 17.308 1.131 ( 0.596 19.295 0.000) 19.305 1.315 ( -4.193 0.354 0.000) 4.208 1.555 ( 2.689 1.574 0.000) 3.115 1.661 ( -7.122 6.203 0.000) 9.444 1.853 ( -0.199 -2.227 0.000) 2.236 1.898 ( -10.487 1.316 0.000) 10.569 2.043 ( -8.505 -1.268 0.000) 8.599 2.064 ( -4.999 1.111 0.000) 5.121 2.339 ( -6.024 -8.752 0.000) 10.625 2.480 ( 0.513 -0.550 0.000) 0.752 2.504 ( -1.031 -3.516 0.000) 3.664 2.917 ( -4.681 -1.519 0.000) 4.922 3.047 ( -5.429 -0.323 0.000) 5.438 3.204 ( -1.774 0.501 0.000) 1.844 3.265 ( 7.051 4.764 0.000) 8.510 3.687 ( 1.381 -5.145 0.000) 5.327 3.917 ( -7.528 1.045 0.000) 7.600 3.988 ( 2.369 8.660 0.000) 8.978 4.005 ( -6.327 -0.966 0.000) 6.400 4.200 ( -9.488 -3.311 0.000) 10.049 4.272 ( -10.122 -4.320 0.000) 11.005 4.372 ( 1.645 0.661 0.000) 1.773 4.540 ( 1.499 -1.118 0.000) 1.870 4.930 ( 2.598 0.675 0.000) 2.685 5.063 ( 0.823 0.271 0.000) 0.867 5.164 ( 2.704 -3.563 0.000) 4.473 5.273 ( 4.507 -0.200 0.000) 4.511 5.363 ( -0.370 -2.975 0.000) 2.998 5.378 ( -1.421 1.985 0.000) 2.441 5.420 ( -0.237 -0.695 0.000) 0.734 5.483 ( -4.455 -1.762 0.000) 4.790 5.614 ( 1.118 -0.207 0.000) 1.137 5.657 ( 4.302 0.789 0.000) 4.374 5.890 ( 2.081 2.300 0.000) 3.102 6.128 ( 4.934 -0.609 0.000) 4.971 ======================= Grid point 62 (43/147) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( 0.000 -2.019 0.000) 2.019 1.043 ( -0.000 16.917 0.000) 16.917 1.271 ( -0.000 0.539 0.000) 0.539 1.481 ( -0.000 25.574 0.000) 25.574 1.592 ( -0.000 0.979 0.000) 0.979 1.754 ( 0.000 -0.509 0.000) 0.509 1.884 ( 0.000 -3.274 0.000) 3.274 1.950 ( 0.000 -2.041 0.000) 2.041 2.010 ( 0.000 -0.946 0.000) 0.946 2.354 ( 0.000 -13.263 0.000) 13.263 2.486 ( -0.000 0.155 0.000) 0.155 2.520 ( 0.000 -4.683 0.000) 4.683 2.886 ( 0.000 -2.889 0.000) 2.889 2.998 ( 0.000 -0.544 0.000) 0.544 3.192 ( 0.000 -0.465 0.000) 0.465 3.305 ( -0.000 6.374 0.000) 6.374 3.768 ( 0.000 -7.493 0.000) 7.493 3.834 ( -0.000 0.961 0.000) 0.961 3.945 ( 0.000 -1.294 0.000) 1.294 3.976 ( -0.000 8.331 0.000) 8.331 4.051 ( 0.000 -1.724 0.000) 1.724 4.199 ( 0.000 -2.354 0.000) 2.354 4.384 ( -0.000 0.756 0.000) 0.756 4.562 ( 0.000 -1.257 0.000) 1.257 4.952 ( -0.000 0.120 0.000) 0.120 5.069 ( -0.000 0.400 0.000) 0.400 5.194 ( 0.000 -1.073 0.000) 1.073 5.351 ( -0.000 1.051 0.000) 1.051 5.369 ( 0.000 -4.060 0.000) 4.060 5.380 ( 0.000 -3.722 0.000) 3.722 5.398 ( -0.000 1.169 0.000) 1.169 5.439 ( 0.000 -1.411 0.000) 1.411 5.627 ( 0.000 -0.313 0.000) 0.313 5.691 ( -0.000 2.538 0.000) 2.538 5.894 ( -0.000 3.107 0.000) 3.107 6.185 ( 0.000 -1.029 0.000) 1.029 ======================= Grid point 71 (44/147) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -15.469 -0.000 0.000) 15.469 1.516 ( -1.799 -0.000 0.000) 1.799 1.610 ( -10.971 -0.000 0.000) 10.971 1.637 ( -5.394 -0.000 0.000) 5.394 1.677 ( -6.001 -0.000 0.000) 6.001 1.849 ( -4.570 -0.000 0.000) 4.570 2.207 ( -7.687 -0.000 0.000) 7.687 2.246 ( -1.456 -0.000 0.000) 1.456 2.451 ( 1.146 0.000 0.000) 1.146 2.522 ( -2.237 -0.000 0.000) 2.237 2.620 ( -12.997 -0.000 0.000) 12.997 2.663 ( -8.752 -0.000 0.000) 8.752 2.859 ( 15.376 0.000 0.000) 15.376 3.189 ( -4.331 -0.000 0.000) 4.331 3.390 ( -14.375 -0.000 0.000) 14.375 3.627 ( -13.855 -0.000 0.000) 13.855 3.683 ( -0.910 -0.000 0.000) 0.910 3.866 ( 6.941 0.000 0.000) 6.941 4.247 ( 1.780 0.000 0.000) 1.780 4.278 ( -4.733 -0.000 0.000) 4.733 4.295 ( -4.517 -0.000 0.000) 4.517 4.455 ( -4.217 -0.000 0.000) 4.217 4.486 ( -2.513 -0.000 0.000) 2.513 4.693 ( -10.266 -0.000 0.000) 10.266 4.695 ( 8.745 0.000 0.000) 8.745 4.945 ( 1.767 0.000 0.000) 1.767 5.023 ( 0.712 0.000 0.000) 0.712 5.227 ( -0.982 -0.000 0.000) 0.982 5.332 ( 3.454 0.000 0.000) 3.454 5.382 ( -2.191 -0.000 0.000) 2.191 5.427 ( 1.046 0.000 0.000) 1.046 5.557 ( -3.697 -0.000 0.000) 3.697 5.570 ( 0.361 0.000 0.000) 0.361 5.660 ( -4.463 -0.000 0.000) 4.463 5.776 ( 4.169 0.000 0.000) 4.169 5.856 ( 7.467 0.000 0.000) 7.467 ======================= Grid point 73 (45/147) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -19.361 -0.205 0.000) 19.363 1.432 ( -7.489 0.074 0.000) 7.490 1.456 ( -0.653 16.670 0.000) 16.683 1.566 ( -1.559 0.638 0.000) 1.685 1.634 ( -2.470 -13.355 0.000) 13.581 1.812 ( 0.439 -2.376 0.000) 2.416 2.069 ( -7.935 -0.957 0.000) 7.993 2.182 ( -5.921 -0.359 0.000) 5.932 2.297 ( -15.742 2.789 0.000) 15.987 2.431 ( -8.384 -1.737 0.000) 8.562 2.467 ( 0.585 0.061 0.000) 0.589 2.516 ( -5.481 -0.910 0.000) 5.556 3.075 ( -7.498 1.134 0.000) 7.583 3.124 ( 12.108 0.774 0.000) 12.133 3.178 ( -8.631 -0.511 0.000) 8.646 3.344 ( -11.369 2.530 0.000) 11.647 3.645 ( -2.832 -1.975 0.000) 3.453 3.999 ( 5.884 1.592 0.000) 6.096 4.115 ( -10.121 0.906 0.000) 10.161 4.138 ( -8.179 -0.746 0.000) 8.213 4.333 ( 3.155 0.188 0.000) 3.161 4.352 ( -6.383 0.670 0.000) 6.418 4.442 ( -14.889 -2.198 0.000) 15.051 4.492 ( 1.862 -0.279 0.000) 1.883 4.856 ( 7.012 0.080 0.000) 7.013 5.015 ( 4.508 -1.357 0.000) 4.708 5.043 ( 1.280 -0.004 0.000) 1.280 5.233 ( 1.491 0.319 0.000) 1.525 5.348 ( -1.410 -0.669 0.000) 1.561 5.392 ( 1.476 -0.499 0.000) 1.558 5.461 ( -0.532 4.007 0.000) 4.042 5.511 ( 1.088 -3.910 0.000) 4.058 5.578 ( -2.485 -0.279 0.000) 2.500 5.587 ( 1.256 -0.025 0.000) 1.256 5.854 ( 3.811 0.416 0.000) 3.834 6.001 ( 7.214 -0.229 0.000) 7.217 ======================= Grid point 74 (46/147) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 255 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -18.998 -2.257 0.000) 19.132 1.320 ( -3.896 0.471 0.000) 3.924 1.323 ( -3.770 13.145 0.000) 13.675 1.570 ( 2.204 1.002 0.000) 2.421 1.684 ( 2.937 -0.769 0.000) 3.036 1.844 ( -0.861 0.692 0.000) 1.104 1.900 ( -5.753 -1.598 0.000) 5.970 2.035 ( -8.150 -0.267 0.000) 8.154 2.093 ( -6.053 3.525 0.000) 7.005 2.250 ( -10.239 -6.358 0.000) 12.053 2.464 ( -0.848 -1.674 0.000) 1.877 2.480 ( 0.064 -0.810 0.000) 0.813 2.912 ( -6.879 0.401 0.000) 6.891 3.045 ( -5.168 -0.128 0.000) 5.170 3.209 ( -2.867 0.334 0.000) 2.887 3.307 ( 7.587 2.490 0.000) 7.985 3.625 ( -0.690 -4.708 0.000) 4.758 3.928 ( -7.622 0.836 0.000) 7.667 3.994 ( -6.497 -0.755 0.000) 6.541 4.066 ( 2.939 4.711 0.000) 5.552 4.168 ( -11.583 -2.064 0.000) 11.765 4.241 ( -6.707 -1.383 0.000) 6.848 4.378 ( 1.642 0.367 0.000) 1.682 4.530 ( 1.461 -0.658 0.000) 1.602 4.946 ( 3.127 1.934 0.000) 3.677 5.066 ( 0.951 0.197 0.000) 0.972 5.116 ( 3.477 -4.183 0.000) 5.439 5.274 ( 2.847 0.258 0.000) 2.859 5.336 ( -0.571 -1.642 0.000) 1.738 5.398 ( -2.541 1.350 0.000) 2.877 5.411 ( 0.244 -0.687 0.000) 0.729 5.469 ( -4.032 -0.735 0.000) 4.098 5.612 ( 1.093 -0.088 0.000) 1.096 5.664 ( 5.848 0.393 0.000) 5.862 5.910 ( 2.317 1.194 0.000) 2.606 6.122 ( 4.772 -0.381 0.000) 4.787 ======================= Grid point 75 (47/147) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 0.000 -5.952 0.000) 5.952 1.206 ( -0.000 10.954 0.000) 10.954 1.278 ( -0.000 0.763 0.000) 0.763 1.602 ( -0.000 0.692 0.000) 0.692 1.732 ( -0.000 16.670 0.000) 16.670 1.760 ( -0.000 1.479 0.000) 1.479 1.869 ( -0.000 1.320 0.000) 1.320 1.939 ( 0.000 -0.107 0.000) 0.107 1.991 ( 0.000 -2.361 0.000) 2.361 2.211 ( 0.000 -11.155 0.000) 11.155 2.472 ( 0.000 -2.889 0.000) 2.889 2.486 ( 0.000 -0.736 0.000) 0.736 2.854 ( 0.000 -2.503 0.000) 2.503 2.994 ( 0.000 -0.178 0.000) 0.178 3.187 ( 0.000 -0.374 0.000) 0.374 3.366 ( -0.000 4.200 0.000) 4.200 3.669 ( 0.000 -8.401 0.000) 8.401 3.845 ( -0.000 0.927 0.000) 0.927 3.930 ( 0.000 -1.164 0.000) 1.164 4.034 ( 0.000 -1.157 0.000) 1.157 4.072 ( -0.000 7.318 0.000) 7.318 4.175 ( 0.000 -1.695 0.000) 1.695 4.391 ( -0.000 0.524 0.000) 0.524 4.549 ( 0.000 -0.949 0.000) 0.949 4.964 ( -0.000 1.836 0.000) 1.836 5.074 ( -0.000 0.365 0.000) 0.365 5.171 ( 0.000 -3.110 0.000) 3.110 5.326 ( 0.000 -2.789 0.000) 2.789 5.343 ( 0.000 -2.531 0.000) 2.531 5.361 ( -0.000 0.748 0.000) 0.748 5.410 ( -0.000 0.787 0.000) 0.787 5.427 ( 0.000 -0.851 0.000) 0.851 5.624 ( 0.000 -0.169 0.000) 0.169 5.717 ( -0.000 1.908 0.000) 1.908 5.924 ( -0.000 1.968 0.000) 1.968 6.175 ( 0.000 -0.792 0.000) 0.792 ======================= Grid point 86 (48/147) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -20.011 -0.000 0.000) 20.011 1.323 ( -3.782 -0.000 0.000) 3.782 1.406 ( -8.605 -0.000 0.000) 8.605 1.576 ( 2.015 0.000 0.000) 2.015 1.673 ( 9.200 0.000 0.000) 9.200 1.862 ( 4.373 0.000 0.000) 4.373 1.874 ( -9.161 -0.000 0.000) 9.161 2.034 ( -7.947 -0.000 0.000) 7.947 2.122 ( -3.808 -0.000 0.000) 3.808 2.206 ( -13.840 -0.000 0.000) 13.840 2.454 ( -1.223 -0.000 0.000) 1.223 2.476 ( 0.315 0.000 0.000) 0.315 2.916 ( -8.013 -0.000 0.000) 8.013 3.044 ( -5.063 -0.000 0.000) 5.063 3.211 ( -3.425 -0.000 0.000) 3.425 3.322 ( 7.792 0.000 0.000) 7.792 3.595 ( -1.377 -0.000 0.000) 1.377 3.933 ( -7.689 -0.000 0.000) 7.689 3.990 ( -6.531 -0.000 0.000) 6.531 4.094 ( 3.427 0.000 0.000) 3.427 4.155 ( -12.335 -0.000 0.000) 12.335 4.234 ( -5.715 -0.000 0.000) 5.715 4.380 ( 1.640 0.000 0.000) 1.640 4.526 ( 1.444 0.000 0.000) 1.444 4.962 ( 3.577 0.000 0.000) 3.577 5.067 ( 1.002 0.000 0.000) 1.002 5.086 ( 3.277 0.000 0.000) 3.277 5.276 ( 2.407 0.000 0.000) 2.407 5.327 ( -0.644 -0.000 0.000) 0.644 5.406 ( 0.502 0.000 0.000) 0.502 5.406 ( -3.275 -0.000 0.000) 3.275 5.465 ( -3.682 -0.000 0.000) 3.682 5.612 ( 1.082 0.000 0.000) 1.082 5.666 ( 6.484 0.000 0.000) 6.484 5.917 ( 2.399 0.000 0.000) 2.399 6.120 ( 4.703 0.000 0.000) 4.703 ======================= Grid point 88 (49/147) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.196 ( 0.000 -4.060 0.000) 4.060 1.286 ( -0.000 0.390 0.000) 0.390 1.291 ( -0.000 3.673 0.000) 3.673 1.608 ( -0.000 0.249 0.000) 0.249 1.782 ( -0.000 1.630 0.000) 1.630 1.831 ( -0.000 2.299 0.000) 2.299 1.929 ( -0.000 6.087 0.000) 6.087 1.941 ( -0.000 0.208 0.000) 0.208 1.963 ( 0.000 -1.790 0.000) 1.790 2.109 ( 0.000 -5.610 0.000) 5.610 2.448 ( 0.000 -1.093 0.000) 1.093 2.480 ( 0.000 -0.314 0.000) 0.314 2.833 ( 0.000 -0.981 0.000) 0.981 2.993 ( 0.000 -0.039 0.000) 0.039 3.184 ( 0.000 -0.143 0.000) 0.143 3.399 ( -0.000 1.469 0.000) 1.469 3.595 ( 0.000 -3.604 0.000) 3.604 3.853 ( -0.000 0.443 0.000) 0.443 3.920 ( 0.000 -0.529 0.000) 0.529 4.025 ( 0.000 -0.404 0.000) 0.404 4.132 ( -0.000 2.742 0.000) 2.742 4.162 ( 0.000 -0.618 0.000) 0.618 4.396 ( -0.000 0.187 0.000) 0.187 4.541 ( 0.000 -0.355 0.000) 0.355 4.989 ( -0.000 1.944 0.000) 1.944 5.077 ( -0.000 0.155 0.000) 0.155 5.131 ( 0.000 -2.871 0.000) 2.871 5.308 ( 0.000 -0.545 0.000) 0.545 5.323 ( 0.000 -0.906 0.000) 0.906 5.367 ( -0.000 0.270 0.000) 0.270 5.416 ( -0.000 0.276 0.000) 0.276 5.419 ( 0.000 -0.383 0.000) 0.383 5.623 ( 0.000 -0.053 0.000) 0.053 5.733 ( -0.000 0.708 0.000) 0.708 5.939 ( -0.000 0.674 0.000) 0.674 6.168 ( 0.000 -0.301 0.000) 0.301 ======================= Grid point 175 (50/147) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.202 ( 0.000 0.000 12.259) 12.259 0.423 ( 0.000 0.000 21.284) 21.284 0.749 ( 0.000 0.000 33.162) 33.162 1.193 ( 0.000 0.000 -8.462) 8.462 1.434 ( 0.000 0.000 -11.046) 11.046 1.872 ( 0.000 0.000 3.566) 3.566 1.982 ( 0.000 0.000 -0.528) 0.528 2.125 ( 0.000 0.000 -7.063) 7.063 2.203 ( 0.000 0.000 9.849) 9.849 2.486 ( 0.000 0.000 4.419) 4.419 2.671 ( 0.000 0.000 -3.675) 3.675 2.814 ( 0.000 0.000 3.168) 3.168 2.949 ( 0.000 0.000 1.056) 1.056 3.037 ( 0.000 0.000 -1.013) 1.013 3.145 ( 0.000 0.000 -2.401) 2.401 3.267 ( 0.000 0.000 3.668) 3.668 3.363 ( 0.000 0.000 -11.283) 11.283 3.542 ( 0.000 0.000 -4.627) 4.627 3.822 ( 0.000 0.000 1.305) 1.305 3.955 ( 0.000 0.000 -2.258) 2.258 4.143 ( 0.000 0.000 2.311) 2.311 4.268 ( 0.000 0.000 -1.074) 1.074 4.635 ( 0.000 0.000 3.076) 3.076 4.830 ( 0.000 0.000 -1.103) 1.103 5.000 ( 0.000 0.000 0.261) 0.261 5.059 ( 0.000 0.000 -0.141) 0.141 5.273 ( 0.000 0.000 -0.474) 0.474 5.304 ( 0.000 0.000 -0.607) 0.607 5.318 ( 0.000 0.000 0.239) 0.239 5.348 ( 0.000 0.000 -0.460) 0.460 5.565 ( 0.000 0.000 1.857) 1.857 5.586 ( 0.000 0.000 -0.859) 0.859 5.687 ( 0.000 0.000 1.486) 1.486 5.719 ( 0.000 0.000 0.204) 0.204 5.811 ( 0.000 0.000 2.015) 2.015 6.055 ( 0.000 0.000 -2.767) 2.767 ======================= Grid point 176 (51/147) ======================= q-point: ( 0.08 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 21.336 2.172 5.546) 22.152 0.641 ( 16.183 -7.460 11.483) 21.199 1.069 ( 26.749 -4.988 23.590) 36.012 1.238 ( 5.694 -0.453 -6.368) 8.555 1.432 ( -0.087 -0.824 -7.828) 7.871 1.917 ( 4.772 0.381 2.353) 5.334 2.017 ( 3.218 0.147 -0.902) 3.345 2.195 ( 6.914 3.715 -3.978) 8.799 2.233 ( 4.023 1.456 6.634) 7.893 2.451 ( -1.947 -0.534 5.105) 5.489 2.630 ( -3.216 1.868 -3.017) 4.789 2.785 ( -1.060 1.212 1.523) 2.216 2.977 ( -6.936 -0.921 1.064) 7.077 3.035 ( 5.895 -1.181 1.469) 6.189 3.111 ( 2.507 0.948 0.771) 2.789 3.236 ( -0.391 3.833 2.407) 4.543 3.393 ( 0.819 -6.640 -11.155) 13.007 3.541 ( -0.835 -2.553 -4.242) 5.021 3.904 ( 7.882 -0.131 1.614) 8.047 4.035 ( 6.024 0.036 -0.701) 6.065 4.260 ( 5.580 0.336 -4.231) 7.010 4.291 ( 2.370 0.353 -1.434) 2.793 4.615 ( -1.817 0.654 2.685) 3.307 4.806 ( -1.557 3.040 -4.139) 5.366 4.983 ( -1.266 4.288 -0.144) 4.474 5.027 ( -3.413 -2.128 -0.891) 4.120 5.241 ( -1.158 0.533 0.889) 1.554 5.290 ( -3.488 -1.186 4.146) 5.547 5.325 ( 2.189 0.369 -0.240) 2.233 5.377 ( 3.704 -0.844 -1.295) 4.014 5.562 ( 0.566 2.066 2.798) 3.524 5.580 ( -1.082 0.476 -0.113) 1.187 5.680 ( -0.876 0.836 1.861) 2.220 5.722 ( -0.726 -2.717 -0.195) 2.819 5.776 ( -1.946 2.864 2.555) 4.303 6.048 ( -1.069 -1.625 -4.093) 4.531 ======================= Grid point 177 (52/147) ======================= q-point: ( 0.15 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 21.913 3.664 4.169) 22.605 1.022 ( 19.256 -3.371 8.478) 21.308 1.391 ( 9.732 0.009 -3.308) 10.278 1.449 ( 4.194 -0.039 -1.928) 4.616 1.680 ( 27.141 -7.573 9.257) 29.659 2.029 ( 6.135 -0.293 -0.142) 6.144 2.092 ( 4.987 1.286 -1.035) 5.253 2.295 ( 5.910 3.642 4.534) 8.292 2.322 ( 4.379 3.415 -0.431) 5.570 2.435 ( -0.991 -2.706 2.520) 3.828 2.561 ( -2.234 1.191 -1.815) 3.115 2.761 ( -1.459 5.069 2.400) 5.795 2.871 ( -3.107 -4.281 -0.897) 5.365 3.128 ( 1.952 -1.057 -1.902) 2.923 3.176 ( 5.141 3.946 1.101) 6.574 3.245 ( 3.127 -0.176 3.218) 4.491 3.453 ( 0.136 -6.729 -9.539) 11.674 3.577 ( 4.698 -2.651 -4.846) 7.251 4.094 ( 10.788 -0.166 2.138) 10.999 4.170 ( 7.553 -0.299 0.521) 7.576 4.301 ( -0.652 -0.403 0.365) 0.849 4.349 ( 3.727 0.047 -1.871) 4.170 4.559 ( -3.563 0.614 1.458) 3.899 4.743 ( -2.775 3.281 -5.594) 7.054 4.881 ( -7.039 0.326 -0.323) 7.054 4.986 ( -1.353 0.811 -3.084) 3.464 5.225 ( -0.669 1.178 2.837) 3.144 5.254 ( -0.797 -1.117 3.320) 3.593 5.383 ( 3.777 0.704 0.329) 3.856 5.436 ( 2.037 1.465 -1.192) 2.778 5.545 ( -1.924 -0.213 0.256) 1.952 5.575 ( 2.024 1.608 3.006) 3.964 5.649 ( -1.568 0.868 2.073) 2.740 5.685 ( -3.656 0.156 0.188) 3.664 5.750 ( -0.099 -1.154 1.756) 2.104 6.031 ( -0.996 1.018 -3.926) 4.176 ======================= Grid point 178 (53/147) ======================= q-point: ( 0.23 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 17.209 0.762 8.092) 19.031 1.408 ( 19.717 1.300 3.768) 20.115 1.539 ( 8.206 0.791 0.462) 8.257 1.625 ( 11.605 -0.252 -1.105) 11.660 2.090 ( 9.729 2.278 -3.087) 10.458 2.142 ( 5.292 -1.904 -2.232) 6.051 2.209 ( 7.607 0.997 1.633) 7.844 2.341 ( 0.146 1.463 0.791) 1.669 2.373 ( 2.530 1.596 2.088) 3.648 2.448 ( 2.400 -1.119 5.219) 5.852 2.512 ( -3.676 0.707 -1.393) 3.994 2.663 ( -4.621 -1.164 6.295) 7.895 2.931 ( 5.564 0.876 -3.585) 6.676 3.149 ( 1.604 1.585 -5.670) 6.102 3.257 ( 3.617 -1.366 1.647) 4.203 3.336 ( 4.841 -2.115 2.727) 5.945 3.496 ( 2.008 -8.389 -4.492) 9.726 3.745 ( 10.731 0.476 -6.617) 12.616 4.259 ( -3.248 -0.458 2.923) 4.394 4.282 ( 7.461 0.227 2.917) 8.014 4.316 ( 6.753 -0.986 1.425) 6.972 4.427 ( 3.916 -0.505 -2.066) 4.457 4.482 ( -3.232 0.601 -1.757) 3.727 4.668 ( -3.509 1.995 -0.843) 4.124 4.751 ( -5.689 -2.237 -2.286) 6.527 4.964 ( -0.061 2.134 -4.750) 5.208 5.201 ( -0.608 1.809 5.059) 5.407 5.262 ( 0.707 -0.435 1.066) 1.351 5.410 ( -1.638 0.915 0.639) 1.982 5.466 ( 3.413 2.552 0.511) 4.292 5.524 ( -0.068 0.861 2.105) 2.275 5.590 ( -0.891 0.911 -0.530) 1.380 5.621 ( -2.325 -0.035 0.719) 2.434 5.636 ( 1.123 -0.532 -0.031) 1.243 5.760 ( 0.468 -0.538 2.637) 2.731 5.996 ( -1.361 3.157 -2.881) 4.485 ======================= Grid point 179 (54/147) ======================= q-point: ( 0.31 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 12.068 0.130 11.116) 16.408 1.690 ( 9.515 -1.549 0.303) 9.645 1.774 ( 16.434 4.958 2.834) 17.398 1.837 ( 9.498 0.031 -0.814) 9.533 2.144 ( 0.958 1.982 -4.269) 4.803 2.229 ( 0.873 5.493 -0.434) 5.578 2.262 ( -2.100 -3.627 -1.831) 4.574 2.350 ( -0.684 0.436 0.871) 1.190 2.371 ( 1.440 0.263 -1.791) 2.314 2.396 ( -2.371 3.887 1.988) 4.968 2.518 ( 2.790 2.704 5.006) 6.337 2.638 ( -0.137 -3.147 5.587) 6.414 3.002 ( 2.077 2.726 -4.227) 5.441 3.180 ( 1.865 0.230 -7.223) 7.463 3.304 ( -1.627 -6.272 1.017) 6.559 3.390 ( -2.678 -6.880 -1.852) 7.611 3.724 ( 16.745 -4.641 1.016) 17.406 3.950 ( 11.105 3.058 -4.304) 12.297 4.187 ( -3.738 -0.358 2.609) 4.572 4.335 ( -2.131 0.549 0.997) 2.416 4.415 ( 4.280 -0.225 0.787) 4.358 4.471 ( 1.882 -0.387 -1.027) 2.179 4.507 ( 3.177 -0.254 -1.947) 3.735 4.615 ( 0.022 -0.253 4.472) 4.479 4.714 ( 0.046 -2.466 -3.746) 4.485 4.954 ( 0.088 2.203 -5.170) 5.620 5.184 ( -0.266 1.485 6.433) 6.608 5.281 ( 1.019 -0.408 0.345) 1.151 5.364 ( -1.771 0.879 -0.120) 1.981 5.497 ( 0.739 1.185 3.424) 3.697 5.511 ( -0.740 1.379 -0.604) 1.677 5.577 ( -0.082 1.134 0.159) 1.148 5.595 ( -0.504 -1.143 0.528) 1.356 5.662 ( 0.889 0.134 -2.143) 2.324 5.770 ( 0.483 0.843 3.066) 3.216 5.946 ( -1.446 4.219 -1.953) 4.869 ======================= Grid point 180 (55/147) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 6.260 0.529 11.057) 12.717 1.862 ( 7.552 -0.693 -0.375) 7.593 1.938 ( 0.524 0.327 0.603) 0.863 1.991 ( 6.651 2.083 2.748) 7.492 2.140 ( -2.102 1.621 -0.575) 2.717 2.161 ( 0.731 5.091 0.632) 5.181 2.197 ( -2.628 0.138 -0.639) 2.708 2.312 ( -1.087 0.401 1.146) 1.630 2.378 ( -0.503 0.288 -1.186) 1.320 2.428 ( 1.835 1.698 0.134) 2.503 2.587 ( 5.807 -0.847 2.551) 6.399 2.716 ( 8.468 1.272 2.027) 8.799 2.982 ( -1.645 2.811 -4.912) 5.893 3.205 ( 0.198 -0.155 -5.953) 5.958 3.262 ( -6.440 -6.843 0.943) 9.444 3.324 ( -7.438 -5.840 -4.565) 10.501 4.007 ( 6.177 1.029 1.832) 6.524 4.101 ( 0.026 -0.122 -0.620) 0.632 4.206 ( 13.002 -1.299 -0.212) 13.068 4.318 ( 2.543 1.036 -2.524) 3.730 4.476 ( 1.918 -0.476 1.054) 2.240 4.509 ( 2.186 0.383 3.082) 3.798 4.550 ( 1.473 0.122 -0.725) 1.646 4.651 ( 1.935 -0.689 3.113) 3.730 4.762 ( 2.664 -2.860 -3.171) 5.033 4.933 ( -1.399 1.252 -4.677) 5.040 5.170 ( -0.534 0.600 7.617) 7.659 5.308 ( 1.476 -0.865 0.090) 1.713 5.346 ( 0.270 -0.067 -0.418) 0.502 5.486 ( -1.095 0.443 -0.893) 1.481 5.495 ( -0.225 1.198 2.332) 2.631 5.559 ( -1.356 0.943 -0.548) 1.740 5.591 ( -0.769 -0.446 1.239) 1.525 5.668 ( -0.021 0.734 -1.571) 1.734 5.768 ( 0.187 1.476 2.347) 2.779 5.901 ( -0.704 3.469 -1.499) 3.844 ======================= Grid point 181 (56/147) ======================= q-point: ( 0.46 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -0.125 0.062 6.255) 6.257 1.924 ( -0.248 0.444 3.074) 3.116 1.943 ( -0.419 0.847 5.567) 5.647 2.011 ( 1.673 0.534 0.382) 1.798 2.145 ( 2.162 0.717 0.826) 2.422 2.163 ( -0.856 0.435 -1.492) 1.775 2.195 ( 1.629 1.161 0.717) 2.125 2.310 ( 0.492 -0.277 1.059) 1.200 2.352 ( -1.331 -0.009 -0.771) 1.538 2.418 ( -0.933 0.230 1.672) 1.928 2.734 ( 5.486 -1.198 -1.260) 5.755 2.888 ( 9.709 5.182 -0.107) 11.006 2.960 ( 1.697 1.179 -1.906) 2.811 3.138 ( -7.832 -3.477 0.495) 8.583 3.147 ( -7.654 -4.183 0.881) 8.767 3.252 ( -0.834 -0.571 -12.033) 12.075 4.033 ( -0.139 0.540 1.404) 1.510 4.078 ( -0.874 -0.061 -0.073) 0.879 4.374 ( 3.089 0.336 -0.480) 3.144 4.467 ( 7.347 1.170 -2.054) 7.718 4.509 ( 1.077 -0.894 0.124) 1.406 4.528 ( 0.636 0.231 -0.811) 1.056 4.579 ( 1.212 -0.288 3.489) 3.705 4.683 ( 1.330 -0.387 2.836) 3.156 4.824 ( 1.988 -1.979 -2.675) 3.876 4.884 ( -2.905 0.589 -3.510) 4.594 5.159 ( -0.303 0.084 7.989) 7.995 5.344 ( 1.416 -0.996 0.226) 1.746 5.366 ( 0.902 -0.438 0.017) 1.003 5.456 ( -0.910 0.812 -1.298) 1.781 5.489 ( -0.101 0.097 1.338) 1.345 5.508 ( -2.453 1.219 -0.697) 2.827 5.586 ( -0.003 -0.385 1.574) 1.621 5.656 ( -0.454 0.624 -1.012) 1.272 5.766 ( 0.215 0.656 1.594) 1.737 5.880 ( -0.136 1.258 -1.392) 1.881 ======================= Grid point 189 (57/147) ======================= q-point: ( 0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 18.381 0.000 9.616) 20.744 0.988 ( 23.927 0.000 0.765) 23.940 1.392 ( 10.819 0.000 -2.241) 11.049 1.449 ( 2.803 0.000 -2.496) 3.754 1.631 ( 29.544 0.000 10.950) 31.508 2.026 ( 5.658 0.000 0.332) 5.668 2.100 ( 5.279 0.000 -1.313) 5.440 2.320 ( 4.680 0.000 5.807) 7.458 2.346 ( 5.403 0.000 -3.150) 6.254 2.412 ( -1.649 -0.000 4.031) 4.355 2.569 ( -2.936 -0.000 -2.386) 3.783 2.816 ( -8.792 -0.000 3.638) 9.515 2.820 ( 4.135 0.000 -1.542) 4.413 3.117 ( 3.015 0.000 -0.743) 3.105 3.207 ( 6.002 0.000 0.983) 6.082 3.246 ( 0.884 0.000 2.990) 3.118 3.407 ( 0.089 0.000 -10.116) 10.116 3.562 ( 5.657 0.000 -4.511) 7.235 4.093 ( 10.860 0.000 2.129) 11.066 4.168 ( 7.421 0.000 0.382) 7.430 4.299 ( -0.739 -0.000 0.355) 0.820 4.349 ( 3.511 0.000 -1.995) 4.038 4.562 ( -3.650 -0.000 1.502) 3.947 4.763 ( -3.219 -0.000 -7.020) 7.723 4.882 ( -8.588 -0.000 0.570) 8.607 4.991 ( -0.733 -0.000 -2.971) 3.060 5.239 ( 0.585 0.000 0.909) 1.081 5.241 ( -1.519 -0.000 5.106) 5.328 5.387 ( 3.489 0.000 0.399) 3.511 5.446 ( 3.205 0.000 -1.603) 3.583 5.542 ( -2.247 -0.000 -0.065) 2.248 5.586 ( 1.518 0.000 4.285) 4.546 5.658 ( -1.676 -0.000 1.759) 2.429 5.679 ( -3.332 -0.000 -0.835) 3.435 5.745 ( -0.680 -0.000 2.238) 2.339 6.037 ( -0.305 -0.000 -4.048) 4.059 ======================= Grid point 190 (58/147) ======================= q-point: ( 0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 16.344 0.294 10.032) 19.180 1.417 ( 19.317 0.366 -1.096) 19.352 1.555 ( 9.589 1.332 2.479) 9.994 1.619 ( 11.973 -0.524 -1.485) 12.077 2.102 ( 14.271 0.291 -1.279) 14.331 2.120 ( 4.520 -1.300 -1.264) 4.870 2.220 ( 7.260 0.584 0.396) 7.295 2.356 ( -1.367 0.987 0.853) 1.889 2.382 ( -0.593 -0.056 -0.736) 0.947 2.441 ( 6.222 -0.093 6.757) 9.186 2.525 ( -2.213 0.935 -0.501) 2.454 2.650 ( -7.443 -0.767 6.677) 10.029 2.937 ( 6.759 0.248 -3.655) 7.687 3.160 ( 1.716 0.284 -4.926) 5.224 3.260 ( 1.425 0.816 0.674) 1.775 3.334 ( 1.981 2.474 0.081) 3.171 3.402 ( 4.315 -7.304 -1.151) 8.561 3.749 ( 12.078 0.198 -6.556) 13.744 4.255 ( -3.386 -0.175 2.921) 4.475 4.285 ( 8.058 0.222 3.272) 8.700 4.307 ( 6.582 -0.484 0.712) 6.638 4.423 ( 3.864 -0.218 -2.337) 4.521 4.487 ( -3.434 0.226 -1.606) 3.798 4.694 ( -4.213 2.391 -2.269) 5.349 4.724 ( -6.194 -2.435 -0.824) 6.706 4.980 ( -0.132 0.676 -4.742) 4.792 5.218 ( -0.675 0.912 4.927) 5.056 5.257 ( 0.937 -0.347 0.493) 1.114 5.417 ( -1.251 0.306 0.844) 1.540 5.489 ( 1.917 1.108 1.804) 2.856 5.530 ( 1.375 0.237 -0.387) 1.448 5.596 ( -2.920 0.085 -1.695) 3.377 5.623 ( -1.744 0.382 1.621) 2.411 5.631 ( 1.313 -0.386 0.992) 1.690 5.755 ( 1.120 -0.255 3.156) 3.358 6.022 ( -1.025 1.195 -3.115) 3.490 ======================= Grid point 191 (59/147) ======================= q-point: ( 0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 12.184 0.277 11.337) 16.646 1.674 ( 9.872 -1.021 0.204) 9.927 1.821 ( 14.632 2.785 1.577) 14.978 1.838 ( 10.432 0.283 0.061) 10.436 2.158 ( 0.055 0.941 -3.597) 3.718 2.214 ( -1.084 -3.352 -3.318) 4.840 2.280 ( -0.920 2.653 0.973) 2.971 2.350 ( -1.709 -0.504 0.137) 1.787 2.374 ( 2.727 0.178 -1.955) 3.360 2.450 ( -1.156 4.861 1.576) 5.240 2.562 ( 3.919 3.620 5.230) 7.472 2.603 ( 1.588 -2.570 6.590) 7.250 3.024 ( 1.742 1.013 -4.846) 5.248 3.187 ( 1.567 0.796 -8.000) 8.191 3.247 ( -3.378 -3.166 1.540) 4.879 3.314 ( -2.937 -5.895 -1.734) 6.810 3.680 ( 18.587 -2.704 2.616) 18.964 3.977 ( 11.122 1.553 -4.827) 12.223 4.183 ( -3.716 -0.238 2.752) 4.630 4.341 ( -2.067 0.347 1.262) 2.446 4.413 ( 4.351 -0.158 0.518) 4.384 4.469 ( 2.141 0.010 -1.282) 2.496 4.504 ( 3.455 -0.253 -2.502) 4.273 4.614 ( -0.767 0.010 4.783) 4.844 4.690 ( 0.027 -1.554 -3.627) 3.946 4.973 ( -0.270 1.142 -5.416) 5.542 5.199 ( -0.719 1.112 5.960) 6.105 5.276 ( 0.891 -0.354 0.178) 0.975 5.372 ( -2.106 0.520 -0.318) 2.192 5.502 ( -0.473 0.026 3.970) 3.998 5.529 ( -0.808 1.575 -1.443) 2.284 5.580 ( 0.536 -1.215 -0.001) 1.328 5.592 ( -0.774 0.937 1.202) 1.710 5.663 ( 1.285 0.110 -2.057) 2.428 5.777 ( 0.972 0.448 3.568) 3.725 5.984 ( -1.675 2.370 -2.195) 3.639 ======================= Grid point 192 (60/147) ======================= q-point: ( 0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 6.364 0.423 11.229) 12.915 1.853 ( 7.783 -0.799 -0.076) 7.825 1.931 ( -0.405 -0.837 1.887) 2.104 2.019 ( 5.740 2.169 1.772) 6.387 2.143 ( 0.977 0.167 -1.816) 2.069 2.193 ( -1.173 -0.430 -1.067) 1.643 2.225 ( -2.971 3.973 0.660) 5.004 2.314 ( -1.514 0.209 1.147) 1.911 2.379 ( -1.048 -0.141 -0.965) 1.432 2.459 ( 1.918 3.441 0.168) 3.943 2.595 ( 3.718 2.357 3.501) 5.624 2.732 ( 11.387 1.349 1.681) 11.589 3.003 ( -2.439 0.359 -5.409) 5.944 3.177 ( -7.032 -6.820 2.077) 10.014 3.203 ( -0.680 -0.047 -5.238) 5.282 3.265 ( -4.666 -4.342 -5.704) 8.554 4.025 ( 9.803 1.951 1.465) 10.102 4.101 ( -0.447 0.245 -0.339) 0.612 4.182 ( 9.868 -2.800 0.755) 10.286 4.329 ( 3.108 0.830 -2.160) 3.875 4.473 ( 2.029 0.057 0.582) 2.112 4.515 ( 2.583 0.482 3.010) 3.996 4.553 ( 1.689 0.269 -1.756) 2.452 4.644 ( 2.129 -0.489 3.047) 3.749 4.730 ( 2.605 -2.389 -2.645) 4.414 4.946 ( -2.075 0.951 -5.154) 5.637 5.177 ( -1.003 0.551 7.297) 7.386 5.299 ( 1.352 -0.657 0.114) 1.508 5.347 ( -0.272 0.094 -0.866) 0.912 5.485 ( -0.882 -0.284 -0.073) 0.929 5.511 ( -0.599 1.377 1.639) 2.223 5.568 ( -1.117 0.416 0.726) 1.396 5.586 ( -0.866 -0.261 0.741) 1.170 5.675 ( 0.045 0.456 -1.881) 1.936 5.783 ( 0.082 1.045 2.713) 2.908 5.936 ( -1.701 2.505 -1.659) 3.452 ======================= Grid point 193 (61/147) ======================= q-point: ( 0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -0.417 0.066 5.806) 5.821 1.924 ( 0.506 -0.068 7.300) 7.318 1.952 ( 0.913 0.072 0.391) 0.995 2.029 ( -0.825 2.563 2.184) 3.467 2.150 ( 0.644 0.180 0.215) 0.702 2.166 ( -1.595 0.101 -1.575) 2.244 2.214 ( 1.278 2.011 0.749) 2.497 2.304 ( 0.336 -0.639 1.109) 1.323 2.353 ( -1.101 -0.111 -0.628) 1.273 2.431 ( -1.136 2.415 1.635) 3.130 2.718 ( 5.149 -2.122 -1.113) 5.679 2.937 ( 7.019 2.890 0.054) 7.591 2.973 ( 0.681 1.304 -1.950) 2.443 3.073 ( -4.014 -4.981 1.044) 6.482 3.118 ( -6.185 -2.888 -0.104) 6.827 3.245 ( 0.036 -0.596 -11.596) 11.612 4.052 ( -0.172 2.559 0.882) 2.712 4.078 ( -0.793 -0.072 0.034) 0.797 4.379 ( 3.292 0.509 -0.215) 3.338 4.466 ( 8.150 -1.947 -1.253) 8.472 4.498 ( 0.258 -0.235 0.386) 0.521 4.532 ( -0.297 0.432 -0.328) 0.619 4.585 ( 1.905 1.023 2.001) 2.946 4.680 ( 1.614 -0.134 2.716) 3.162 4.798 ( 2.572 -2.411 -2.150) 4.129 4.890 ( -2.727 0.425 -4.014) 4.871 5.160 ( -0.491 0.057 7.791) 7.806 5.336 ( 1.806 -0.361 0.074) 1.843 5.360 ( 1.457 -0.656 -0.355) 1.637 5.465 ( -1.408 0.609 -1.342) 2.038 5.492 ( -0.413 0.551 1.715) 1.848 5.520 ( -3.013 0.858 -0.362) 3.154 5.580 ( 0.124 -0.642 1.678) 1.801 5.662 ( -0.918 0.391 -1.193) 1.556 5.773 ( -0.499 0.572 1.756) 1.913 5.894 ( -1.494 1.193 -1.446) 2.397 ======================= Grid point 194 (62/147) ======================= q-point: (-0.54 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -0.243 -0.119 6.758) 6.764 1.912 ( -1.083 -0.951 0.122) 1.446 1.947 ( 0.550 1.233 8.072) 8.185 2.009 ( -1.797 -0.112 -0.082) 1.803 2.132 ( -3.105 -1.532 1.149) 3.648 2.153 ( -0.603 -1.577 -1.338) 2.154 2.190 ( -2.401 0.367 0.487) 2.477 2.309 ( -0.443 -0.406 1.118) 1.270 2.357 ( 1.466 0.787 -0.794) 1.844 2.423 ( 1.046 1.167 1.701) 2.313 2.742 ( -3.965 -1.026 -2.133) 4.618 2.832 ( -9.665 -3.179 0.912) 10.215 2.945 ( -3.188 -1.350 -1.793) 3.898 3.148 ( 6.927 -0.039 1.502) 7.088 3.208 ( 9.784 4.348 -0.725) 10.731 3.258 ( 2.646 0.434 -11.342) 11.654 4.042 ( 0.253 1.955 0.856) 2.149 4.079 ( 0.960 0.060 -0.107) 0.968 4.371 ( -3.365 -0.157 -0.612) 3.423 4.447 ( -7.995 -2.166 -1.731) 8.463 4.512 ( -0.622 -0.048 0.417) 0.751 4.525 ( -1.047 -0.424 -1.047) 1.540 4.592 ( -0.869 1.570 3.287) 3.745 4.688 ( -0.872 0.534 2.987) 3.158 4.838 ( -0.927 0.327 -2.720) 2.892 4.880 ( 2.859 0.102 -3.324) 4.385 5.158 ( 0.204 -0.103 8.111) 8.114 5.358 ( -0.559 1.254 0.289) 1.403 5.371 ( -0.454 0.482 0.339) 0.744 5.448 ( -0.291 -0.520 -1.336) 1.463 5.488 ( 0.164 -0.325 0.974) 1.040 5.492 ( 1.500 -1.204 -0.499) 1.987 5.589 ( 0.356 0.108 1.295) 1.347 5.648 ( -0.250 -0.702 -0.926) 1.189 5.759 ( -0.951 -0.578 1.435) 1.815 5.867 ( -1.287 -0.998 -1.353) 2.118 ======================= Grid point 195 (63/147) ======================= q-point: (-0.46 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -6.032 -0.524 10.855) 12.430 1.866 ( -7.048 -0.260 -0.582) 7.076 1.912 ( -3.797 -3.442 1.121) 5.246 1.986 ( -5.586 0.950 1.402) 5.837 2.074 ( -0.828 -6.378 2.066) 6.755 2.144 ( -2.312 -1.631 -1.451) 3.180 2.190 ( 4.956 -0.510 0.755) 5.039 2.304 ( 0.117 -0.747 0.968) 1.228 2.380 ( 0.943 0.735 -1.341) 1.797 2.424 ( -1.254 1.052 0.206) 1.650 2.603 ( -7.370 1.204 1.769) 7.675 2.709 ( -3.988 0.334 2.090) 4.515 2.945 ( 0.773 -3.359 -4.153) 5.397 3.207 ( -0.393 0.200 -6.127) 6.142 3.323 ( 6.874 3.706 -0.881) 7.859 3.394 ( 8.825 5.853 -2.945) 10.991 4.005 ( -4.851 0.710 1.279) 5.067 4.103 ( -0.403 0.109 -0.898) 0.990 4.210 ( -14.033 -0.651 -0.562) 14.059 4.308 ( -1.774 -0.729 -2.778) 3.376 4.481 ( -2.193 0.312 1.088) 2.468 4.506 ( -1.455 -0.202 2.603) 2.989 4.553 ( -1.740 0.781 0.814) 2.073 4.660 ( -1.815 0.853 3.151) 3.735 4.793 ( -2.402 2.371 -3.273) 4.702 4.919 ( 0.574 -1.062 -4.202) 4.371 5.164 ( 0.180 -0.373 7.980) 7.991 5.319 ( -1.830 0.917 0.018) 2.047 5.348 ( -1.023 0.280 0.049) 1.061 5.469 ( 0.805 -2.070 -0.527) 2.283 5.488 ( -0.077 -0.396 2.095) 2.134 5.549 ( 1.911 -0.693 -1.561) 2.563 5.595 ( 0.777 0.296 1.251) 1.502 5.658 ( 0.315 -0.922 -1.240) 1.577 5.750 ( -0.390 -1.610 1.876) 2.503 5.860 ( -0.621 -3.524 -1.328) 3.817 ======================= Grid point 196 (64/147) ======================= q-point: (-0.38 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -11.774 0.244 11.055) 16.152 1.708 ( -8.498 1.181 0.184) 8.582 1.716 ( -16.700 -4.414 3.626) 17.650 1.835 ( -9.957 -0.351 -1.264) 10.043 2.102 ( -3.356 -5.425 -3.754) 7.402 2.140 ( 0.201 -8.979 0.452) 8.993 2.295 ( 0.682 1.041 -1.083) 1.650 2.345 ( -1.901 -0.279 -2.047) 2.808 2.373 ( 4.845 0.102 2.091) 5.278 2.380 ( 1.078 2.692 0.559) 2.954 2.507 ( -1.845 0.407 4.150) 4.559 2.675 ( 0.394 3.234 4.335) 5.423 2.962 ( -2.040 -4.133 -3.478) 5.774 3.181 ( -1.958 0.226 -6.805) 7.085 3.383 ( 1.934 7.101 0.077) 7.360 3.467 ( 1.320 6.357 -1.302) 6.622 3.782 ( -14.671 5.241 -1.145) 15.621 3.907 ( -11.296 -4.369 -3.490) 12.605 4.191 ( 3.854 0.335 2.412) 4.559 4.329 ( 2.186 -0.528 0.626) 2.334 4.417 ( -4.244 0.102 1.032) 4.369 4.479 ( -1.701 0.912 -0.605) 2.023 4.510 ( -2.868 0.200 -1.271) 3.144 4.620 ( -0.565 0.611 4.315) 4.394 4.745 ( -0.300 2.730 -3.970) 4.827 4.924 ( -0.933 -2.908 -4.670) 5.580 5.168 ( -0.108 -1.099 7.058) 7.144 5.285 ( -1.288 0.239 0.386) 1.365 5.352 ( 1.163 -1.179 0.198) 1.668 5.476 ( -1.464 -2.152 0.674) 2.688 5.494 ( 0.055 -1.611 2.440) 2.924 5.568 ( 0.449 -0.351 -0.393) 0.693 5.606 ( 0.455 0.754 0.353) 0.948 5.661 ( -0.318 0.041 -2.147) 2.171 5.758 ( 0.137 -1.097 2.411) 2.652 5.890 ( 1.185 -5.174 -1.624) 5.551 ======================= Grid point 197 (65/147) ======================= q-point: (-0.31 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -18.162 -0.297 5.898) 19.098 1.392 ( -17.607 -1.181 9.261) 19.929 1.543 ( -7.474 1.355 -1.277) 7.703 1.624 ( -11.292 -0.335 -0.981) 11.340 2.044 ( -6.788 -5.656 -3.348) 9.449 2.137 ( -5.098 -3.579 -1.627) 6.438 2.212 ( -5.869 1.602 -0.535) 6.108 2.323 ( -1.509 -1.481 0.950) 2.318 2.354 ( -4.138 -1.015 4.225) 6.000 2.464 ( -0.339 1.572 4.052) 4.359 2.516 ( 3.907 1.342 -2.033) 4.604 2.674 ( 1.428 0.677 5.685) 5.900 2.916 ( -3.377 -1.628 -3.534) 5.153 3.133 ( -2.902 -0.880 -4.988) 5.838 3.295 ( -6.554 4.909 1.581) 8.339 3.368 ( -5.754 2.955 2.903) 7.090 3.587 ( -2.009 7.156 -6.145) 9.644 3.740 ( -7.716 -0.349 -6.754) 10.260 4.265 ( 2.584 0.567 2.962) 3.971 4.281 ( -6.268 0.093 2.727) 6.836 4.328 ( -6.728 1.004 2.183) 7.144 4.433 ( -3.989 0.480 -1.626) 4.334 4.474 ( 2.713 -0.750 -2.013) 3.460 4.649 ( 2.076 -1.156 -0.131) 2.380 4.775 ( 4.928 1.826 -3.143) 6.123 4.930 ( -0.075 -3.738 -4.487) 5.841 5.180 ( 0.755 -1.570 5.658) 5.920 5.266 ( -0.615 0.148 1.493) 1.621 5.394 ( 1.659 -1.935 0.314) 2.568 5.438 ( -3.690 -2.006 0.281) 4.209 5.507 ( 0.351 -2.172 3.643) 4.256 5.581 ( 0.456 -0.441 -0.125) 0.647 5.619 ( 1.127 -0.436 0.359) 1.260 5.643 ( -0.948 0.505 -0.838) 1.363 5.767 ( 0.619 0.550 1.903) 2.075 5.953 ( 2.206 -4.076 -2.516) 5.274 ======================= Grid point 198 (66/147) ======================= q-point: (-0.23 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -20.180 0.799 3.569) 20.508 1.057 ( -16.709 2.752 12.877) 21.274 1.395 ( -8.416 0.822 -4.812) 9.729 1.452 ( -4.974 0.633 -0.860) 5.088 1.780 ( -21.844 8.378 5.689) 24.077 2.021 ( -6.585 -2.290 -0.538) 6.993 2.083 ( -5.317 0.511 -1.046) 5.443 2.247 ( -7.144 -4.538 4.724) 9.692 2.280 ( -5.235 -3.482 0.221) 6.291 2.458 ( 0.759 0.884 0.716) 1.368 2.549 ( 0.759 -0.452 0.543) 1.037 2.702 ( -0.185 -4.971 3.052) 5.836 2.915 ( 4.247 3.346 -3.068) 6.216 3.101 ( -1.928 -4.423 -1.874) 5.177 3.171 ( -4.661 2.205 0.450) 5.176 3.248 ( -5.291 0.211 3.144) 6.158 3.538 ( 0.216 7.181 -8.944) 11.472 3.621 ( -2.687 4.992 -5.979) 8.239 4.097 ( -10.616 0.377 2.164) 10.841 4.174 ( -7.898 0.441 0.875) 7.959 4.308 ( 0.356 0.679 0.369) 0.851 4.348 ( -4.312 -0.244 -1.536) 4.584 4.548 ( 3.289 -1.136 1.313) 3.720 4.694 ( 0.933 -5.001 -2.966) 5.889 4.872 ( 4.124 -1.184 -1.553) 4.563 4.973 ( 2.933 -1.410 -3.392) 4.701 5.214 ( 1.626 -0.683 2.880) 3.377 5.264 ( 0.995 0.469 3.808) 3.964 5.371 ( -3.749 -1.205 0.052) 3.938 5.419 ( -0.350 -1.370 -0.476) 1.492 5.535 ( 0.673 -2.192 3.023) 3.794 5.562 ( -1.926 -0.271 -0.780) 2.096 5.642 ( 1.438 -0.495 2.465) 2.896 5.669 ( 2.264 -2.334 1.577) 3.614 5.773 ( 0.899 2.583 0.846) 2.863 6.016 ( 2.642 -1.431 -3.642) 4.721 ======================= Grid point 199 (67/147) ======================= q-point: (-0.15 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -11.743 8.582 7.237) 16.246 0.733 ( -13.137 7.234 14.292) 20.717 1.174 ( -25.619 11.926 13.682) 31.397 1.249 ( -5.080 1.636 -4.492) 6.976 1.453 ( -1.012 2.944 -5.521) 6.338 1.909 ( -5.358 -1.099 1.803) 5.759 2.012 ( -2.497 -0.871 -0.685) 2.732 2.138 ( -6.706 -5.424 0.122) 8.625 2.188 ( -5.552 -5.688 4.089) 8.938 2.468 ( 0.885 1.830 2.725) 3.400 2.591 ( 2.141 -4.339 -2.165) 5.301 2.750 ( 2.514 -4.738 3.324) 6.310 2.996 ( 4.514 1.807 -1.649) 5.134 3.043 ( -7.059 -0.720 0.991) 7.165 3.096 ( -0.964 -1.191 -0.058) 1.533 3.204 ( 0.359 -0.705 1.573) 1.760 3.492 ( 0.179 9.260 -10.115) 13.715 3.592 ( 2.316 5.693 -5.854) 8.488 3.907 ( -7.869 0.381 1.592) 8.037 4.034 ( -6.249 -0.132 -0.565) 6.276 4.252 ( -6.451 -1.208 -4.052) 7.713 4.283 ( -2.844 -0.955 -1.583) 3.392 4.599 ( 1.111 -2.041 2.479) 3.398 4.743 ( 0.304 -7.089 1.899) 7.345 4.935 ( 1.076 -3.739 -0.839) 3.980 5.039 ( 2.901 0.103 -1.473) 3.255 5.235 ( 0.737 -0.215 1.169) 1.398 5.306 ( 3.198 1.155 3.380) 4.795 5.323 ( -1.009 0.359 -0.413) 1.148 5.390 ( -2.522 1.189 -1.218) 3.043 5.526 ( -1.490 -3.567 1.947) 4.329 5.566 ( -0.054 -1.915 -0.877) 2.107 5.673 ( 1.226 -0.388 2.874) 3.148 5.727 ( 1.575 -3.819 4.798) 6.331 5.768 ( 0.472 4.045 0.153) 4.075 6.071 ( 3.132 1.830 -4.817) 6.030 ======================= Grid point 200 (68/147) ======================= q-point: (-0.08 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -0.000 23.085 5.576) 23.749 0.507 ( -0.000 13.253 17.293) 21.788 0.778 ( -0.000 5.330 30.397) 30.860 1.198 ( -0.000 1.018 -6.335) 6.416 1.442 ( -0.000 1.291 -10.602) 10.680 1.863 ( 0.000 -1.423 3.612) 3.882 1.985 ( -0.000 0.587 -0.705) 0.917 2.091 ( 0.000 -5.043 -4.349) 6.659 2.170 ( 0.000 -5.727 8.668) 10.389 2.475 ( 0.000 -0.183 3.978) 3.982 2.645 ( 0.000 -4.289 -3.417) 5.484 2.822 ( 0.000 -1.223 2.741) 3.002 2.947 ( 0.000 -0.331 0.999) 1.053 3.031 ( 0.000 -0.964 -0.978) 1.373 3.125 ( 0.000 -2.150 0.010) 2.150 3.223 ( 0.000 -2.324 1.667) 2.860 3.445 ( -0.000 8.931 -10.286) 13.622 3.600 ( -0.000 8.248 -10.029) 12.985 3.823 ( -0.000 0.241 1.279) 1.302 3.953 ( 0.000 -0.328 -2.196) 2.220 4.137 ( 0.000 -1.068 2.285) 2.522 4.261 ( 0.000 -1.133 -1.082) 1.567 4.622 ( 0.000 -2.233 3.280) 3.968 4.784 ( 0.000 -6.826 4.768) 8.327 4.965 ( 0.000 -3.980 -0.109) 3.982 5.068 ( -0.000 0.401 -0.418) 0.580 5.253 ( 0.000 -2.009 0.397) 2.048 5.321 ( -0.000 0.505 0.260) 0.568 5.332 ( -0.000 3.255 -1.146) 3.451 5.352 ( -0.000 0.716 -0.470) 0.857 5.532 ( 0.000 -4.428 1.696) 4.742 5.572 ( 0.000 -2.389 -0.977) 2.581 5.687 ( 0.000 -0.145 2.606) 2.610 5.747 ( -0.000 3.939 0.210) 3.944 5.766 ( 0.000 -4.567 6.378) 7.844 6.094 ( -0.000 4.211 -5.995) 7.326 ======================= Grid point 203 (69/147) ======================= q-point: ( 0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 12.218 0.000 11.515) 16.789 1.668 ( 9.971 0.000 0.069) 9.971 1.832 ( 9.346 0.000 -0.577) 9.364 1.845 ( 15.258 0.000 2.040) 15.394 2.168 ( 2.021 0.000 -2.004) 2.846 2.188 ( -3.459 -0.000 -4.856) 5.962 2.296 ( -1.192 -0.000 1.709) 2.083 2.345 ( -1.824 -0.000 -0.698) 1.952 2.375 ( 3.171 0.000 -1.833) 3.663 2.487 ( -1.907 -0.000 0.784) 2.062 2.568 ( 2.545 0.000 6.840) 7.298 2.600 ( 5.869 0.000 5.981) 8.379 3.029 ( 1.182 0.000 -5.117) 5.251 3.192 ( 1.468 0.000 -7.663) 7.802 3.234 ( -6.256 -0.000 -0.560) 6.281 3.272 ( -1.096 -0.000 -0.032) 1.096 3.664 ( 19.301 0.000 3.177) 19.561 3.986 ( 11.144 0.000 -5.004) 12.216 4.182 ( -3.727 -0.000 2.804) 4.665 4.343 ( -2.034 -0.000 1.359) 2.446 4.412 ( 4.407 0.000 0.420) 4.427 4.469 ( 2.256 0.000 -1.370) 2.639 4.503 ( 3.557 0.000 -2.733) 4.486 4.614 ( -1.217 -0.000 5.001) 5.147 4.681 ( 0.133 0.000 -3.662) 3.664 4.980 ( -0.355 -0.000 -5.476) 5.487 5.206 ( -0.937 -0.000 5.815) 5.891 5.274 ( 0.876 0.000 0.050) 0.877 5.375 ( -2.220 -0.000 -0.390) 2.254 5.502 ( -0.730 -0.000 3.676) 3.748 5.540 ( -1.481 -0.000 -1.275) 1.954 5.570 ( 1.025 0.000 0.270) 1.060 5.598 ( -0.706 -0.000 1.123) 1.327 5.664 ( 1.437 0.000 -2.008) 2.470 5.780 ( 1.165 0.000 3.761) 3.937 5.998 ( -1.769 -0.000 -2.283) 2.888 ======================= Grid point 204 (70/147) ======================= q-point: ( 0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 6.355 0.171 11.334) 12.995 1.846 ( 7.877 -0.355 0.189) 7.887 1.924 ( -0.537 -0.360 2.325) 2.413 2.036 ( 4.714 0.695 1.202) 4.914 2.147 ( 1.774 0.290 -1.891) 2.609 2.189 ( -0.306 -0.139 -2.100) 2.127 2.249 ( -2.833 0.602 1.407) 3.220 2.317 ( -1.519 0.215 1.126) 1.903 2.376 ( -1.532 -0.226 -1.012) 1.850 2.495 ( 3.535 2.006 0.095) 4.065 2.629 ( -0.329 2.351 3.962) 4.619 2.744 ( 12.878 0.590 1.372) 12.964 2.988 ( -3.749 -2.003 -4.675) 6.318 3.127 ( -5.919 -1.744 1.824) 6.435 3.204 ( -3.898 0.202 -2.622) 4.702 3.227 ( -0.775 -1.965 -8.471) 8.730 4.045 ( 13.919 1.083 0.432) 13.968 4.110 ( 0.150 1.211 -0.405) 1.286 4.148 ( 5.314 -2.591 2.315) 6.349 4.336 ( 3.199 0.297 -1.874) 3.719 4.475 ( 2.258 0.172 0.253) 2.279 4.519 ( 2.772 0.221 2.776) 3.929 4.555 ( 2.026 0.113 -2.463) 3.191 4.640 ( 2.306 -0.188 2.919) 3.725 4.710 ( 2.396 -0.961 -2.008) 3.270 4.954 ( -2.456 0.353 -5.425) 5.965 5.182 ( -1.347 0.225 7.113) 7.243 5.294 ( 1.326 -0.252 0.101) 1.353 5.348 ( -0.545 0.066 -1.146) 1.271 5.482 ( -0.818 -0.156 -0.036) 0.833 5.524 ( -0.683 0.689 1.908) 2.141 5.567 ( -0.653 -0.272 1.500) 1.659 5.587 ( -1.295 0.141 0.264) 1.329 5.678 ( 0.028 0.151 -2.087) 2.093 5.791 ( 0.031 0.378 2.912) 2.937 5.956 ( -2.226 0.909 -1.754) 2.976 ======================= Grid point 205 (71/147) ======================= q-point: ( 0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -0.574 0.061 5.569) 5.599 1.925 ( 1.425 0.274 8.154) 8.282 1.946 ( 1.748 -0.842 -0.349) 1.971 2.060 ( -1.019 2.320 2.740) 3.732 2.150 ( -1.895 -0.165 -0.340) 1.932 2.167 ( -1.928 0.048 -1.775) 2.621 2.237 ( 1.377 1.694 0.620) 2.269 2.296 ( -0.172 -0.733 1.365) 1.558 2.349 ( -0.747 -0.358 -0.731) 1.105 2.480 ( -1.385 6.115 1.264) 6.396 2.670 ( 1.324 -6.405 -0.122) 6.541 2.959 ( 2.240 1.866 0.467) 2.953 2.992 ( 2.975 1.703 -1.437) 3.717 3.034 ( 3.724 -2.125 0.353) 4.302 3.080 ( -7.182 -3.243 -0.896) 7.931 3.239 ( 0.411 -0.329 -11.042) 11.054 4.076 ( -0.685 0.090 0.102) 0.698 4.085 ( -0.491 2.361 -0.218) 2.421 4.387 ( 4.362 0.905 0.265) 4.462 4.433 ( 7.116 -3.091 0.536) 7.777 4.500 ( 0.579 0.332 0.021) 0.668 4.537 ( -0.641 0.323 -0.426) 0.835 4.597 ( 2.247 0.945 0.805) 2.567 4.680 ( 1.746 0.074 2.554) 3.095 4.772 ( 3.097 -1.758 -1.509) 3.868 4.893 ( -2.748 0.156 -4.415) 5.203 5.160 ( -0.677 0.026 7.613) 7.643 5.335 ( 2.524 0.091 -0.096) 2.527 5.352 ( 1.207 -0.595 -0.608) 1.477 5.469 ( -1.028 0.118 -1.329) 1.684 5.501 ( -1.006 0.826 2.074) 2.449 5.528 ( -3.508 0.446 0.045) 3.537 5.573 ( 0.227 -0.633 1.587) 1.723 5.665 ( -1.162 0.167 -1.396) 1.824 5.779 ( -1.011 0.333 1.881) 2.161 5.906 ( -2.455 0.729 -1.495) 2.966 ======================= Grid point 206 (72/147) ======================= q-point: (-0.62 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -0.581 -0.149 7.072) 7.098 1.908 ( -2.955 0.094 -0.431) 2.987 1.968 ( 0.758 2.334 6.832) 7.259 2.007 ( -1.214 -0.066 1.224) 1.725 2.108 ( -4.653 -2.864 1.589) 5.690 2.130 ( -1.828 -1.847 -1.532) 3.017 2.201 ( -3.594 1.189 0.098) 3.787 2.302 ( -0.162 -0.704 1.329) 1.513 2.367 ( 1.781 0.763 -0.598) 2.028 2.449 ( 1.081 3.461 1.129) 3.797 2.690 ( -3.004 -6.765 -1.010) 7.470 2.835 ( -8.186 2.399 0.265) 8.535 2.929 ( -3.915 -1.245 -1.793) 4.482 3.143 ( 7.821 -0.782 2.304) 8.190 3.239 ( 4.233 1.141 -7.072) 8.320 3.266 ( 9.029 1.113 -5.277) 10.517 4.070 ( 0.406 2.013 -0.388) 2.090 4.082 ( 1.193 1.076 -0.166) 1.615 4.371 ( -4.043 0.136 -0.618) 4.092 4.420 ( -8.628 -2.528 -1.172) 9.066 4.511 ( -0.534 -0.120 0.622) 0.829 4.520 ( -0.985 -0.297 -0.607) 1.195 4.609 ( -0.621 1.331 2.503) 2.902 4.694 ( -0.335 0.488 3.187) 3.242 4.834 ( 0.600 -0.803 -2.266) 2.478 4.885 ( 2.378 0.563 -3.612) 4.361 5.157 ( 0.213 -0.108 8.128) 8.131 5.366 ( 1.188 0.228 0.439) 1.287 5.384 ( -0.907 1.712 0.248) 1.953 5.444 ( -1.160 -0.273 -1.213) 1.701 5.471 ( 0.240 -1.829 -0.349) 1.877 5.491 ( -0.059 0.134 1.044) 1.054 5.589 ( 0.996 -0.104 0.923) 1.361 5.641 ( -1.067 -0.512 -0.899) 1.486 5.753 ( -1.534 -0.379 1.307) 2.050 5.857 ( -2.442 -0.602 -1.335) 2.847 ======================= Grid point 207 (73/147) ======================= q-point: (-0.54 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -5.759 -0.419 10.680) 12.141 1.844 ( -6.046 -3.395 0.608) 6.961 1.888 ( -6.078 -0.354 0.853) 6.148 1.995 ( -7.936 -1.316 0.523) 8.062 2.015 ( -3.160 -2.148 1.166) 3.995 2.107 ( -3.987 -4.035 -1.290) 5.817 2.195 ( 8.048 1.125 1.921) 8.350 2.296 ( -0.441 -0.631 1.043) 1.296 2.389 ( 0.525 0.632 -1.890) 2.061 2.451 ( 0.392 3.315 0.103) 3.339 2.606 ( -7.361 -0.605 1.992) 7.649 2.725 ( -0.923 2.077 1.617) 2.789 2.909 ( -0.349 -2.802 -3.128) 4.214 3.209 ( -0.351 0.204 -6.159) 6.173 3.351 ( 8.673 1.288 -1.764) 8.944 3.451 ( 9.022 3.905 -2.020) 10.036 4.023 ( -5.769 2.241 0.000) 6.189 4.103 ( -1.022 0.016 -1.302) 1.655 4.194 ( -12.449 -1.892 -0.213) 12.594 4.301 ( -1.603 -0.350 -2.925) 3.354 4.483 ( -2.378 -0.027 1.046) 2.598 4.503 ( -0.928 -0.396 1.707) 1.983 4.568 ( -2.148 1.593 2.252) 3.496 4.670 ( -1.768 0.903 3.300) 3.852 4.813 ( -1.861 1.061 -2.905) 3.610 4.911 ( -0.234 -0.264 -4.063) 4.078 5.162 ( 0.094 -0.012 8.298) 8.299 5.329 ( -2.555 0.886 -0.033) 2.704 5.352 ( -1.924 0.253 0.355) 1.973 5.443 ( 0.501 -2.238 -0.001) 2.293 5.483 ( -0.514 -0.498 1.625) 1.776 5.542 ( 3.069 -0.487 -1.979) 3.684 5.599 ( 0.488 0.338 0.960) 1.129 5.647 ( 0.941 -0.984 -0.882) 1.622 5.732 ( -0.793 -1.429 1.382) 2.140 5.823 ( -1.938 -2.688 -1.187) 3.520 ======================= Grid point 208 (74/147) ======================= q-point: (-0.46 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -11.165 0.590 11.080) 15.741 1.667 ( -14.435 -3.282 4.270) 15.407 1.727 ( -8.508 1.469 -0.097) 8.634 1.829 ( -10.567 -0.657 -1.681) 10.720 2.011 ( -1.291 -9.900 -0.824) 10.018 2.049 ( -4.088 -6.305 -0.556) 7.535 2.290 ( -0.237 -1.106 0.324) 1.177 2.341 ( -5.014 -0.528 -3.213) 5.979 2.392 ( 9.150 2.847 1.568) 9.710 2.432 ( 1.395 5.379 0.347) 5.568 2.518 ( -0.909 1.254 3.715) 4.025 2.712 ( -0.043 3.184 2.954) 4.344 2.910 ( -2.324 -4.803 -2.550) 5.914 3.184 ( -1.873 0.405 -6.626) 6.898 3.461 ( 3.549 6.193 -0.762) 7.178 3.536 ( 0.909 5.463 -1.156) 5.658 3.838 ( -12.131 3.070 -2.169) 12.700 3.853 ( -13.320 -3.793 -3.371) 14.254 4.194 ( 4.038 0.220 2.208) 4.608 4.324 ( 2.235 -0.323 0.222) 2.270 4.418 ( -4.253 -0.049 1.157) 4.408 4.488 ( -1.568 0.392 -0.620) 1.732 4.515 ( -2.834 0.897 -0.178) 2.977 4.629 ( -0.711 0.912 4.333) 4.484 4.774 ( -0.506 2.242 -3.921) 4.545 4.890 ( -2.373 -2.784 -4.212) 5.578 5.160 ( -0.210 -0.264 7.692) 7.699 5.286 ( -1.686 -0.115 0.348) 1.725 5.336 ( 0.233 -1.576 0.517) 1.674 5.451 ( -1.236 -2.032 0.158) 2.384 5.475 ( -0.846 -1.636 2.635) 3.215 5.568 ( 0.508 0.151 -0.588) 0.792 5.612 ( 0.176 0.256 0.221) 0.381 5.664 ( 0.420 0.449 -1.967) 2.061 5.745 ( 0.820 -1.126 1.740) 2.229 5.830 ( 0.932 -5.078 -1.293) 5.323 ======================= Grid point 209 (75/147) ======================= q-point: (-0.38 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -16.960 2.003 5.279) 17.875 1.385 ( -15.041 0.034 11.388) 18.866 1.566 ( -7.231 2.378 -1.737) 7.808 1.619 ( -10.754 -0.575 -0.606) 10.787 1.967 ( -5.856 -7.228 -2.657) 9.675 2.066 ( -2.747 -8.249 -0.497) 8.709 2.224 ( -5.046 0.065 -1.478) 5.258 2.303 ( -1.541 -2.227 0.701) 2.797 2.368 ( -5.435 3.498 3.358) 7.284 2.482 ( -0.127 1.471 3.633) 3.922 2.540 ( 2.536 2.730 -1.939) 4.200 2.678 ( -1.791 0.100 4.752) 5.079 2.893 ( -0.190 -2.331 -3.508) 4.216 3.130 ( -3.627 0.287 -4.658) 5.911 3.366 ( -9.520 7.170 1.140) 11.972 3.398 ( -7.612 2.182 2.463) 8.293 3.654 ( -3.182 4.073 -6.159) 8.040 3.740 ( -2.576 0.620 -7.396) 7.856 4.271 ( 1.167 0.554 3.091) 3.350 4.285 ( -4.233 0.465 2.465) 4.920 4.338 ( -6.525 0.502 2.876) 7.148 4.438 ( -3.953 0.273 -1.166) 4.130 4.466 ( 1.666 -0.579 -2.266) 2.872 4.642 ( 0.400 -0.090 0.268) 0.490 4.793 ( 3.682 1.307 -3.762) 5.424 4.879 ( -0.175 -4.998 -3.775) 6.265 5.167 ( 1.038 -0.554 6.247) 6.356 5.264 ( -0.727 -0.382 1.895) 2.065 5.367 ( 1.015 -2.330 0.179) 2.547 5.422 ( -2.236 -0.739 0.363) 2.383 5.477 ( 0.061 -2.839 3.696) 4.661 5.580 ( 0.551 0.084 0.330) 0.648 5.610 ( -0.192 -1.256 0.071) 1.273 5.647 ( -1.615 0.191 -1.050) 1.935 5.773 ( 1.894 0.492 1.217) 2.304 5.906 ( 3.612 -3.829 -2.155) 5.688 ======================= Grid point 210 (76/147) ======================= q-point: (-0.31 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -14.836 6.933 3.795) 16.810 1.086 ( -15.081 2.307 14.652) 21.153 1.409 ( -7.798 1.538 -4.680) 9.223 1.465 ( -4.421 1.732 0.049) 4.748 1.845 ( -13.011 1.704 1.392) 13.196 1.985 ( -7.107 -3.065 0.583) 7.762 2.103 ( -6.847 2.552 -2.262) 7.649 2.196 ( -8.979 -3.865 5.248) 11.096 2.246 ( -6.100 -2.410 0.396) 6.571 2.456 ( -1.471 -0.948 -1.232) 2.140 2.551 ( 0.318 0.475 3.577) 3.622 2.648 ( -1.832 -4.313 3.539) 5.872 2.946 ( 4.464 1.916 -5.075) 7.025 3.062 ( -2.778 -1.960 -1.116) 3.579 3.196 ( -6.307 1.831 -1.136) 6.665 3.252 ( -5.116 0.582 3.218) 6.072 3.603 ( -0.277 3.743 -7.387) 8.286 3.694 ( -0.060 7.329 -8.115) 10.935 4.103 ( -10.434 0.666 2.206) 10.686 4.179 ( -8.334 0.263 1.293) 8.438 4.316 ( -0.278 0.719 0.299) 0.827 4.344 ( -5.052 -0.452 -1.094) 5.189 4.533 ( 2.798 -1.466 1.048) 3.328 4.633 ( -1.686 -5.311 -0.471) 5.592 4.855 ( 2.105 -1.709 -2.259) 3.529 4.954 ( 4.568 -1.894 -3.782) 6.225 5.210 ( 2.778 -0.007 2.969) 4.066 5.264 ( 0.695 -0.504 4.702) 4.779 5.361 ( -2.093 -0.254 -0.550) 2.179 5.405 ( -0.106 -0.993 0.151) 1.010 5.504 ( -0.025 -2.806 3.589) 4.555 5.562 ( -2.000 -0.010 -1.472) 2.483 5.630 ( 1.172 -2.316 0.889) 2.743 5.643 ( 1.241 -1.352 3.319) 3.793 5.804 ( 2.102 2.628 0.552) 3.410 6.000 ( 4.403 -1.314 -3.301) 5.658 ======================= Grid point 211 (77/147) ======================= q-point: (-0.23 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -1.906 16.360 5.800) 17.462 0.802 ( -11.199 4.886 17.692) 21.501 1.268 ( -7.768 3.014 -3.955) 9.223 1.319 ( -13.711 10.313 2.907) 17.401 1.509 ( -6.240 7.346 0.224) 9.641 1.892 ( -5.692 -1.667 1.037) 6.021 1.991 ( -2.665 -3.078 0.536) 4.107 2.081 ( -6.287 -3.968 1.385) 7.562 2.124 ( -7.023 -4.645 1.866) 8.624 2.464 ( 0.508 -3.768 -2.298) 4.442 2.555 ( 0.470 -0.678 3.322) 3.423 2.684 ( 2.055 -6.432 4.598) 8.170 2.994 ( -1.291 -2.890 -0.913) 3.294 3.031 ( -3.324 -0.237 -1.816) 3.795 3.093 ( -0.051 0.843 -1.851) 2.034 3.214 ( 0.790 1.753 0.948) 2.144 3.588 ( 1.027 6.385 -9.747) 11.697 3.667 ( 2.604 7.627 -7.220) 10.821 3.913 ( -7.856 0.613 1.546) 8.031 4.031 ( -6.654 -0.320 -0.309) 6.668 4.232 ( -7.746 -2.259 -3.371) 8.745 4.270 ( -3.794 -1.379 -1.912) 4.467 4.568 ( -0.072 -3.321 3.305) 4.686 4.664 ( 0.803 -5.881 6.467) 8.778 4.898 ( 1.075 -2.625 -2.642) 3.876 5.033 ( 2.592 -0.974 -2.022) 3.428 5.237 ( 0.370 0.465 1.700) 1.800 5.314 ( 3.156 0.305 2.972) 4.346 5.334 ( 0.427 1.318 -0.347) 1.428 5.400 ( -1.102 0.235 -0.843) 1.407 5.488 ( -2.184 -2.898 1.531) 3.939 5.537 ( -1.821 -2.948 -1.212) 3.671 5.669 ( 1.521 -0.340 2.926) 3.315 5.690 ( 2.025 -2.448 5.921) 6.719 5.817 ( 1.228 4.266 0.178) 4.442 6.086 ( 4.163 0.771 -4.652) 6.290 ======================= Grid point 212 (78/147) ======================= q-point: (-0.15 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -0.000 14.256 12.198) 18.762 0.694 ( -0.000 17.977 11.684) 21.440 0.892 ( -0.000 15.404 14.502) 21.156 1.223 ( -0.000 3.668 -1.253) 3.876 1.463 ( -0.000 2.300 -9.375) 9.653 1.842 ( 0.000 -2.138 3.701) 4.274 1.993 ( -0.000 0.567 -1.158) 1.289 2.024 ( 0.000 -6.219 -0.914) 6.286 2.088 ( 0.000 -7.310 5.828) 9.349 2.483 ( 0.000 -0.039 0.696) 0.697 2.583 ( 0.000 -5.213 -0.712) 5.261 2.766 ( 0.000 -7.539 4.996) 9.045 2.940 ( 0.000 -0.942 0.877) 1.287 3.016 ( 0.000 -1.528 -0.911) 1.779 3.117 ( -0.000 0.351 -2.247) 2.274 3.221 ( -0.000 1.245 0.683) 1.420 3.550 ( -0.000 9.190 -9.886) 13.498 3.690 ( -0.000 6.630 -13.373) 14.926 3.827 ( -0.000 0.470 1.201) 1.290 3.947 ( 0.000 -0.617 -2.018) 2.110 4.119 ( 0.000 -1.838 2.204) 2.870 4.243 ( 0.000 -2.022 -1.100) 2.301 4.586 ( 0.000 -3.681 4.958) 6.175 4.706 ( 0.000 -5.829 9.397) 11.058 4.925 ( 0.000 -2.989 -2.442) 3.859 5.064 ( 0.000 -0.880 -0.857) 1.229 5.238 ( 0.000 -0.386 1.615) 1.661 5.330 ( -0.000 0.925 0.308) 0.975 5.364 ( -0.000 1.187 -0.491) 1.285 5.368 ( -0.000 2.711 -1.300) 3.006 5.482 ( 0.000 -4.090 1.219) 4.268 5.534 ( 0.000 -4.025 -0.775) 4.099 5.685 ( 0.000 -0.022 3.326) 3.326 5.725 ( 0.000 -2.311 7.777) 8.113 5.802 ( -0.000 4.874 -0.110) 4.876 6.128 ( -0.000 1.699 -6.196) 6.425 ======================= Grid point 217 (79/147) ======================= q-point: ( 0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -0.621 -0.000 5.506) 5.541 1.929 ( 2.268 0.000 10.232) 10.481 1.939 ( 1.335 0.000 -2.267) 2.631 2.075 ( 0.109 0.000 2.968) 2.970 2.148 ( -3.800 -0.000 -0.661) 3.857 2.167 ( -1.848 -0.000 -1.836) 2.605 2.248 ( 1.819 0.000 0.391) 1.861 2.290 ( -0.731 -0.000 1.669) 1.822 2.347 ( -0.607 -0.000 -0.866) 1.058 2.549 ( -0.833 -0.000 -1.294) 1.539 2.598 ( -1.735 -0.000 2.984) 3.452 2.979 ( 4.318 0.000 0.525) 4.350 3.009 ( -5.110 -0.000 -0.890) 5.187 3.011 ( 12.140 0.000 -0.432) 12.148 3.059 ( -7.237 -0.000 -1.217) 7.338 3.238 ( 0.494 0.000 -10.821) 10.832 4.076 ( -0.685 -0.000 0.165) 0.705 4.101 ( -0.729 -0.000 -0.906) 1.162 4.401 ( 9.995 0.000 0.625) 10.014 4.404 ( 1.867 0.000 1.034) 2.134 4.502 ( 0.543 0.000 0.070) 0.548 4.539 ( -0.723 -0.000 -0.503) 0.881 4.603 ( 2.274 0.000 0.373) 2.304 4.680 ( 1.769 0.000 2.430) 3.006 4.761 ( 3.359 0.000 -1.166) 3.555 4.894 ( -2.793 -0.000 -4.563) 5.350 5.160 ( -0.753 -0.000 7.543) 7.581 5.336 ( 3.334 0.000 -0.147) 3.338 5.348 ( 0.531 0.000 -0.719) 0.894 5.470 ( -0.825 -0.000 -1.288) 1.530 5.506 ( -1.200 -0.000 2.248) 2.548 5.530 ( -3.778 -0.000 0.221) 3.785 5.568 ( 0.321 0.000 1.471) 1.505 5.666 ( -1.235 -0.000 -1.486) 1.933 5.781 ( -1.196 -0.000 1.928) 2.268 5.910 ( -2.800 -0.000 -1.515) 3.184 ======================= Grid point 218 (80/147) ======================= q-point: (-0.69 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.794 -0.066 7.206) 7.250 1.911 ( -3.745 0.194 -1.697) 4.116 1.991 ( 4.621 0.876 7.368) 8.741 2.017 ( -4.687 2.433 2.113) 5.688 2.066 ( -5.469 -3.871 1.289) 6.824 2.117 ( -3.154 -0.507 -1.436) 3.502 2.213 ( -4.538 0.676 -0.302) 4.598 2.295 ( 0.267 -0.422 1.620) 1.695 2.373 ( 2.097 0.230 -0.410) 2.149 2.498 ( -0.398 4.236 -0.433) 4.277 2.613 ( -0.064 -5.572 1.084) 5.677 2.862 ( -8.916 1.641 -0.372) 9.073 2.917 ( -3.509 -0.753 -2.002) 4.109 3.134 ( 8.675 -0.487 2.837) 9.140 3.244 ( 0.913 0.076 -11.023) 11.061 3.277 ( 12.516 0.521 -1.343) 12.599 4.077 ( 0.755 0.059 -0.191) 0.781 4.105 ( 1.327 1.497 -1.561) 2.537 4.376 ( -4.915 0.705 -0.479) 4.988 4.393 ( -8.675 -1.839 -0.663) 8.893 4.510 ( -0.476 -0.050 0.687) 0.837 4.518 ( -1.142 -0.077 -0.366) 1.202 4.620 ( -0.486 0.497 2.104) 2.216 4.699 ( 0.043 0.206 3.352) 3.358 4.826 ( 1.257 -0.429 -1.990) 2.392 4.890 ( 2.407 0.216 -3.795) 4.499 5.156 ( 0.255 -0.051 8.099) 8.103 5.367 ( 1.333 0.059 0.469) 1.415 5.403 ( 0.521 1.246 -0.011) 1.351 5.442 ( -1.046 0.045 -1.007) 1.453 5.451 ( -2.050 -1.396 -0.052) 2.481 5.492 ( -0.273 0.084 1.107) 1.143 5.588 ( 1.549 -0.093 0.623) 1.672 5.637 ( -1.629 -0.173 -0.872) 1.856 5.750 ( -1.849 -0.129 1.233) 2.227 5.853 ( -3.083 -0.197 -1.329) 3.363 ======================= Grid point 219 (81/147) ======================= q-point: (-0.62 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -5.521 -0.225 10.582) 11.938 1.809 ( -7.098 -2.295 1.397) 7.589 1.892 ( -6.720 0.966 0.676) 6.823 1.954 ( -7.338 -3.647 1.583) 8.346 2.022 ( -6.416 1.210 -1.206) 6.639 2.065 ( -4.637 -2.877 -1.018) 5.551 2.208 ( 10.061 0.942 2.443) 10.396 2.290 ( -0.733 -0.433 1.201) 1.472 2.394 ( -0.119 0.361 -2.351) 2.382 2.490 ( 1.017 2.957 -0.485) 3.164 2.594 ( -5.057 -1.162 2.559) 5.785 2.748 ( -0.439 1.604 1.349) 2.141 2.883 ( -1.395 -1.559 -2.083) 2.952 3.211 ( -0.252 0.139 -6.159) 6.165 3.357 ( 10.065 0.043 -2.023) 10.266 3.484 ( 9.266 1.844 -1.679) 9.596 4.051 ( -8.019 2.375 -1.399) 8.480 4.103 ( -2.552 -0.013 -2.128) 3.322 4.171 ( -8.793 -1.960 0.918) 9.055 4.299 ( -1.692 -0.137 -3.009) 3.455 4.482 ( -2.395 -0.047 1.036) 2.610 4.498 ( -0.842 -0.327 1.305) 1.587 4.585 ( -2.235 1.151 2.820) 3.778 4.679 ( -1.770 0.632 3.543) 4.011 4.818 ( -1.408 0.020 -2.363) 2.751 4.912 ( -0.723 0.298 -4.230) 4.302 5.163 ( 0.273 0.185 8.515) 8.521 5.339 ( -3.479 0.788 -0.011) 3.568 5.353 ( -3.063 -0.204 0.350) 3.090 5.421 ( 0.688 -1.407 0.508) 1.647 5.478 ( -0.764 -0.337 1.167) 1.435 5.537 ( 4.190 -0.360 -1.914) 4.620 5.604 ( -0.222 0.462 0.455) 0.685 5.636 ( 1.925 -0.827 -0.471) 2.148 5.718 ( -1.371 -0.873 0.980) 1.898 5.799 ( -2.799 -1.373 -1.097) 3.305 ======================= Grid point 220 (82/147) ======================= q-point: (-0.54 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -10.093 0.815 11.468) 15.299 1.641 ( -11.739 -1.156 4.309) 12.558 1.742 ( -7.769 1.213 -0.409) 7.873 1.820 ( -10.991 -0.914 -1.883) 11.189 1.900 ( -3.218 -8.529 0.610) 9.136 1.988 ( -5.394 -4.265 -0.753) 6.917 2.278 ( -0.679 -0.940 0.579) 1.296 2.335 ( -5.776 -0.485 -2.838) 6.454 2.429 ( 10.064 3.156 1.531) 10.658 2.489 ( 1.187 4.130 -0.187) 4.301 2.533 ( 0.746 1.405 2.800) 3.220 2.746 ( -0.566 2.511 1.952) 3.230 2.855 ( -3.335 -4.353 -1.388) 5.657 3.189 ( -1.736 0.378 -6.570) 6.806 3.524 ( 5.974 4.586 -1.488) 7.677 3.591 ( 2.251 3.935 -1.704) 4.842 3.790 ( -13.753 -4.930 -0.763) 14.630 3.883 ( -13.594 2.829 -4.759) 14.678 4.196 ( 4.210 0.097 2.037) 4.678 4.321 ( 2.303 -0.098 -0.122) 2.309 4.417 ( -4.388 -0.121 1.253) 4.565 4.487 ( -1.388 -0.254 -1.063) 1.766 4.529 ( -3.088 1.296 0.971) 3.487 4.640 ( -0.489 0.934 4.459) 4.582 4.792 ( -0.513 0.765 -2.939) 3.080 4.864 ( -4.114 -1.394 -4.647) 6.360 5.162 ( -0.010 0.550 8.450) 8.468 5.282 ( -2.336 -0.650 0.357) 2.451 5.317 ( -0.571 -1.613 0.403) 1.758 5.432 ( -0.498 -1.123 0.371) 1.283 5.459 ( -1.518 -1.136 1.976) 2.738 5.570 ( 0.297 0.167 -0.623) 0.710 5.613 ( -0.321 -0.042 0.146) 0.356 5.672 ( 1.200 0.896 -1.658) 2.234 5.733 ( 1.722 -0.930 1.084) 2.237 5.777 ( 0.455 -3.965 -0.992) 4.113 ======================= Grid point 221 (83/147) ======================= q-point: (-0.46 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -14.119 3.983 7.470) 16.463 1.396 ( -13.030 2.256 9.281) 16.156 1.592 ( -7.501 1.941 -2.827) 8.248 1.614 ( -9.089 -0.034 1.235) 9.173 1.882 ( -5.414 -7.715 -2.195) 9.677 1.959 ( -1.428 -9.524 0.668) 9.653 2.218 ( -5.200 -0.769 -0.638) 5.295 2.276 ( -1.645 -2.193 0.453) 2.779 2.420 ( -5.866 4.894 1.390) 7.765 2.497 ( -0.645 1.134 3.192) 3.449 2.575 ( 0.080 3.148 -1.460) 3.471 2.677 ( -4.983 -0.306 3.542) 6.121 2.863 ( 3.808 -2.807 -3.496) 5.882 3.137 ( -3.548 0.688 -4.661) 5.898 3.415 ( -10.528 0.962 2.980) 10.984 3.457 ( -11.182 8.036 -0.730) 13.789 3.678 ( -4.142 0.346 -4.645) 6.234 3.754 ( 2.639 1.431 -8.439) 8.957 4.278 ( 0.916 0.584 3.235) 3.413 4.291 ( -3.348 0.656 2.115) 4.014 4.338 ( -6.142 -0.371 3.262) 6.964 4.440 ( -3.475 0.083 -1.028) 3.624 4.461 ( -0.092 -0.148 -2.209) 2.216 4.647 ( -1.478 1.052 0.365) 1.850 4.802 ( 1.086 -0.672 -2.072) 2.434 4.821 ( 1.138 -3.898 -4.820) 6.303 5.168 ( 1.295 0.578 6.860) 7.005 5.256 ( -0.944 -1.088 2.196) 2.627 5.346 ( 1.892 -1.302 0.217) 2.307 5.418 ( -1.161 -0.040 0.272) 1.193 5.445 ( -0.488 -2.624 3.104) 4.094 5.582 ( 0.777 0.237 0.800) 1.140 5.591 ( -1.548 -1.883 0.002) 2.438 5.647 ( -2.757 -0.102 -1.177) 2.999 5.778 ( 3.058 0.418 0.752) 3.177 5.868 ( 5.242 -2.747 -1.917) 6.221 ======================= Grid point 222 (84/147) ======================= q-point: (-0.38 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -11.902 6.373 8.402) 15.902 1.127 ( -11.492 6.782 9.749) 16.526 1.429 ( -6.908 1.846 -2.515) 7.579 1.493 ( -3.714 2.945 0.464) 4.763 1.818 ( -5.797 -5.083 -0.976) 7.771 1.948 ( -5.327 -4.326 0.867) 6.916 2.128 ( -5.061 0.420 -1.252) 5.231 2.173 ( -14.467 0.901 3.123) 14.828 2.220 ( -6.191 -2.111 0.446) 6.557 2.440 ( -4.516 -1.592 -1.961) 5.175 2.555 ( -0.092 0.080 4.731) 4.733 2.605 ( -2.735 -2.964 4.510) 6.050 2.964 ( 3.389 1.562 -6.245) 7.275 3.054 ( -2.945 0.191 -1.620) 3.366 3.213 ( -9.345 1.379 -1.399) 9.550 3.264 ( -3.923 1.536 2.448) 4.872 3.627 ( -1.278 0.590 -5.975) 6.138 3.779 ( 2.229 6.935 -9.353) 11.855 4.112 ( -10.305 0.988 2.229) 10.590 4.179 ( -8.704 -0.252 1.630) 8.859 4.323 ( -1.703 0.426 0.065) 1.757 4.339 ( -5.370 -0.264 -0.715) 5.424 4.516 ( 2.022 -1.479 0.752) 2.615 4.575 ( -3.566 -4.653 1.613) 6.080 4.837 ( 1.790 -1.213 -2.683) 3.445 4.929 ( 5.458 -2.414 -4.079) 7.229 5.213 ( 3.486 0.405 3.504) 4.959 5.255 ( 0.298 -0.891 4.973) 5.061 5.366 ( -0.052 0.898 -0.962) 1.317 5.397 ( -0.729 -0.182 0.630) 0.980 5.473 ( 0.409 -2.544 3.868) 4.647 5.561 ( -3.010 -0.108 -1.404) 3.323 5.594 ( 0.818 -3.476 0.228) 3.578 5.633 ( 1.582 -0.719 3.273) 3.706 5.832 ( 3.081 2.157 0.562) 3.803 5.986 ( 5.734 -0.966 -2.988) 6.537 ======================= Grid point 223 (85/147) ======================= q-point: (-0.31 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -7.898 2.114 19.077) 20.755 0.924 ( -0.083 18.218 3.916) 18.634 1.308 ( -5.091 4.001 0.173) 6.478 1.407 ( -4.581 5.395 -5.169) 8.764 1.614 ( -11.034 9.255 3.116) 14.735 1.871 ( -4.312 -1.973 -0.002) 4.742 1.945 ( -6.549 -4.064 2.479) 8.096 2.049 ( -4.410 -1.791 -0.627) 4.801 2.087 ( -7.590 -1.931 1.481) 7.971 2.396 ( -1.837 -6.793 -3.174) 7.719 2.561 ( 0.435 0.616 6.183) 6.228 2.610 ( 0.617 -5.844 5.134) 7.804 2.954 ( -2.737 -3.327 0.331) 4.321 3.027 ( -3.366 -0.619 -2.707) 4.364 3.111 ( 0.579 1.888 -4.742) 5.137 3.234 ( 0.766 1.419 -0.873) 1.833 3.629 ( 1.796 1.002 -7.404) 7.684 3.769 ( 1.997 9.293 -8.947) 13.054 3.921 ( -7.861 0.875 1.470) 8.045 4.026 ( -7.125 -0.611 0.039) 7.151 4.202 ( -8.872 -2.787 -2.359) 9.594 4.252 ( -4.827 -1.632 -1.957) 5.458 4.529 ( -0.167 -3.041 5.839) 6.586 4.610 ( 1.834 -3.646 5.849) 7.132 4.874 ( 1.190 -1.401 -3.905) 4.317 5.018 ( 2.534 -1.600 -2.676) 4.017 5.246 ( 0.441 1.022 2.467) 2.706 5.311 ( 4.137 -0.933 3.183) 5.303 5.352 ( 0.056 1.859 -0.436) 1.910 5.395 ( -0.217 -0.971 -0.034) 0.996 5.462 ( -2.012 -1.604 1.470) 2.964 5.503 ( -3.424 -2.752 -0.887) 4.481 5.661 ( 3.018 -1.244 2.127) 3.896 5.672 ( 1.820 -0.659 5.376) 5.714 5.864 ( 1.823 3.728 0.530) 4.184 6.091 ( 4.511 0.113 -4.124) 6.113 ======================= Grid point 224 (86/147) ======================= q-point: (-0.23 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -0.000 4.075 22.646) 23.010 0.905 ( -0.000 17.907 7.831) 19.544 1.097 ( -0.000 16.579 -5.114) 17.350 1.296 ( -0.000 10.069 5.803) 11.622 1.493 ( -0.000 2.852 -7.639) 8.154 1.817 ( 0.000 -2.094 3.692) 4.245 1.951 ( 0.000 -6.376 1.090) 6.469 1.996 ( 0.000 -0.029 -1.671) 1.671 2.019 ( 0.000 -4.202 3.189) 5.275 2.432 ( 0.000 -8.238 -4.203) 9.248 2.561 ( -0.000 0.723 5.686) 5.732 2.670 ( 0.000 -8.403 6.256) 10.476 2.924 ( 0.000 -1.974 0.833) 2.143 2.999 ( 0.000 -1.339 -0.940) 1.636 3.124 ( -0.000 0.658 -5.195) 5.237 3.239 ( -0.000 1.673 -1.661) 2.357 3.641 ( -0.000 5.266 -10.001) 11.303 3.760 ( -0.000 6.664 -10.997) 12.859 3.834 ( -0.000 0.668 1.072) 1.263 3.939 ( 0.000 -0.830 -1.742) 1.929 4.096 ( 0.000 -2.132 2.071) 2.972 4.216 ( 0.000 -2.463 -1.111) 2.702 4.546 ( 0.000 -3.000 7.100) 7.708 4.651 ( 0.000 -3.936 7.871) 8.800 4.896 ( 0.000 -1.942 -4.037) 4.480 5.050 ( 0.000 -1.402 -1.655) 2.169 5.243 ( -0.000 0.967 2.776) 2.940 5.342 ( -0.000 1.138 0.357) 1.193 5.378 ( -0.000 1.328 -0.506) 1.421 5.386 ( 0.000 -0.169 -0.242) 0.295 5.444 ( 0.000 -1.841 0.469) 1.900 5.483 ( 0.000 -4.719 -0.138) 4.721 5.686 ( -0.000 0.164 3.439) 3.443 5.706 ( 0.000 -1.257 6.216) 6.342 5.857 ( -0.000 4.559 0.352) 4.573 6.139 ( -0.000 0.357 -5.203) 5.215 ======================= Grid point 231 (87/147) ======================= q-point: (-0.69 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -5.414 -0.000 10.565) 11.872 1.795 ( -7.831 -0.000 1.500) 7.973 1.904 ( -7.449 -0.000 1.202) 7.545 1.926 ( -6.737 -0.000 0.946) 6.803 2.033 ( -7.874 -0.000 -1.191) 7.963 2.045 ( -4.142 -0.000 -1.212) 4.316 2.214 ( 10.868 0.000 2.594) 11.173 2.287 ( -0.855 -0.000 1.270) 1.531 2.397 ( -0.303 -0.000 -2.517) 2.535 2.509 ( 0.711 0.000 -1.095) 1.305 2.586 ( -3.593 -0.000 3.064) 4.722 2.757 ( -0.443 -0.000 1.337) 1.409 2.874 ( -1.844 -0.000 -1.622) 2.456 3.212 ( -0.205 -0.000 -6.157) 6.160 3.357 ( 10.544 0.000 -2.077) 10.747 3.495 ( 9.413 0.000 -1.611) 9.550 4.068 ( -9.195 -0.000 -1.951) 9.400 4.103 ( -4.767 -0.000 -3.270) 5.781 4.157 ( -5.515 -0.000 2.194) 5.936 4.298 ( -1.729 -0.000 -3.038) 3.496 4.482 ( -2.393 -0.000 1.033) 2.607 4.496 ( -0.854 -0.000 1.211) 1.482 4.592 ( -2.210 -0.000 2.942) 3.680 4.683 ( -1.782 -0.000 3.670) 4.079 4.818 ( -1.280 -0.000 -2.146) 2.499 4.914 ( -0.831 -0.000 -4.317) 4.396 5.164 ( 0.424 0.000 8.594) 8.604 5.346 ( -4.263 -0.000 -0.147) 4.266 5.348 ( -3.439 -0.000 0.413) 3.464 5.413 ( 1.013 0.000 0.777) 1.276 5.476 ( -0.811 -0.000 0.974) 1.267 5.535 ( 4.626 0.000 -1.831) 4.975 5.607 ( -0.963 -0.000 0.112) 0.970 5.631 ( 2.790 0.000 -0.186) 2.796 5.713 ( -1.676 -0.000 0.821) 1.866 5.791 ( -3.065 -0.000 -1.067) 3.245 ======================= Grid point 233 (88/147) ======================= q-point: (-0.62 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -9.140 0.443 12.648) 15.611 1.637 ( -8.605 0.131 3.128) 9.157 1.756 ( -7.194 1.245 -0.229) 7.304 1.801 ( -8.458 -2.727 -0.694) 8.914 1.833 ( -9.448 -2.178 -0.401) 9.704 1.954 ( -5.649 -1.508 -0.611) 5.879 2.270 ( -0.896 -0.345 0.647) 1.158 2.331 ( -5.984 -0.183 -2.648) 6.546 2.457 ( 9.699 1.306 2.471) 10.094 2.522 ( 0.682 1.427 -0.668) 1.717 2.548 ( 3.222 0.845 1.220) 3.548 2.768 ( -0.609 1.170 1.549) 2.034 2.816 ( -4.949 -2.108 -0.346) 5.390 3.192 ( -1.633 0.158 -6.567) 6.768 3.564 ( 9.821 2.151 -2.402) 10.336 3.622 ( 3.742 1.342 -2.234) 4.560 3.745 ( -17.738 -2.392 0.484) 17.905 3.905 ( -13.740 0.948 -5.246) 14.738 4.197 ( 4.307 0.023 1.939) 4.724 4.321 ( 2.368 -0.003 -0.317) 2.389 4.415 ( -4.554 -0.067 1.330) 4.745 4.485 ( -1.251 -0.150 -1.303) 1.812 4.541 ( -3.346 0.559 1.498) 3.709 4.649 ( -0.131 0.426 4.569) 4.591 4.794 ( -0.984 -0.197 -1.600) 1.889 4.857 ( -4.870 -0.107 -5.638) 7.451 5.169 ( 0.356 0.515 9.364) 9.385 5.272 ( -3.134 -0.681 0.125) 3.209 5.304 ( -0.732 -0.562 0.014) 0.923 5.425 ( 0.001 -0.285 0.616) 0.679 5.450 ( -1.891 -0.409 1.509) 2.453 5.571 ( 0.075 0.048 -0.655) 0.661 5.612 ( -0.717 -0.050 0.175) 0.740 5.683 ( 1.764 0.826 -1.338) 2.364 5.724 ( 3.487 -0.696 0.039) 3.557 5.744 ( -1.065 -1.557 -0.307) 1.911 ======================= Grid point 234 (89/147) ======================= q-point: (-0.54 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -13.985 1.448 13.144) 19.247 1.450 ( -8.549 6.666 2.326) 11.087 1.599 ( -9.502 -0.406 -2.095) 9.739 1.628 ( -5.403 2.297 1.836) 6.152 1.780 ( -3.824 -9.864 -0.313) 10.584 1.871 ( -3.454 -4.865 0.262) 5.972 2.210 ( -5.735 -0.525 -0.055) 5.759 2.255 ( -1.783 -1.348 0.134) 2.239 2.469 ( -5.117 3.214 1.377) 6.198 2.508 ( -1.653 0.712 1.626) 2.425 2.608 ( -3.364 2.370 -0.330) 4.128 2.673 ( -7.341 -0.318 2.045) 7.627 2.832 ( 7.902 -2.345 -3.535) 8.969 3.144 ( -3.311 0.514 -4.723) 5.790 3.421 ( -12.358 0.181 2.735) 12.658 3.546 ( -12.412 6.983 -1.950) 14.374 3.668 ( -3.943 -1.940 -3.696) 5.743 3.766 ( 5.807 0.523 -8.174) 10.040 4.284 ( 2.606 0.440 3.325) 4.247 4.300 ( -4.617 0.773 1.724) 4.989 4.330 ( -5.721 -0.934 3.432) 6.737 4.440 ( -2.694 -0.034 -1.479) 3.073 4.462 ( -1.888 0.147 -1.698) 2.543 4.666 ( -4.095 2.121 0.019) 4.612 4.756 ( 0.663 -4.534 0.263) 4.589 4.815 ( 1.701 0.271 -6.138) 6.375 5.179 ( 1.333 1.119 7.973) 8.161 5.241 ( -0.843 -1.339 1.695) 2.319 5.337 ( 3.549 -0.266 0.520) 3.596 5.417 ( -1.295 -1.093 1.248) 2.104 5.422 ( -0.452 -0.326 1.101) 1.234 5.570 ( -2.630 -1.577 0.316) 3.083 5.585 ( 0.815 0.191 1.064) 1.354 5.646 ( -3.743 -0.170 -1.356) 3.984 5.782 ( 3.841 0.276 0.563) 3.891 5.844 ( 6.494 -1.382 -1.863) 6.896 ======================= Grid point 235 (90/147) ======================= q-point: (-0.46 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -14.805 0.495 15.198) 21.223 1.256 ( -4.810 13.435 1.091) 14.312 1.450 ( -5.503 1.593 -0.120) 5.730 1.530 ( -3.325 3.376 1.397) 4.940 1.749 ( -3.577 -6.507 -1.163) 7.516 1.881 ( -1.366 -6.748 0.992) 6.956 2.116 ( -5.710 -1.607 2.188) 6.323 2.188 ( -8.816 -1.179 -0.424) 8.904 2.214 ( -13.289 2.618 -1.474) 13.625 2.420 ( -6.601 -1.794 -2.217) 7.190 2.553 ( -2.043 -0.280 4.215) 4.692 2.580 ( -1.944 -1.442 6.443) 6.883 2.982 ( 4.095 1.357 -7.606) 8.745 3.059 ( -4.217 0.534 -1.919) 4.664 3.231 ( -8.715 1.552 0.168) 8.854 3.286 ( -6.670 2.189 -0.190) 7.022 3.621 ( -2.077 -1.399 -4.361) 5.029 3.847 ( 3.860 4.657 -9.804) 11.520 4.125 ( -10.306 1.200 2.210) 10.609 4.172 ( -8.839 -0.823 1.824) 9.063 4.326 ( -3.861 0.092 -0.247) 3.870 4.339 ( -5.107 0.155 -0.722) 5.160 4.501 ( 0.576 -1.088 0.886) 1.516 4.528 ( -3.389 -3.278 2.914) 5.543 4.830 ( 2.610 0.155 -3.051) 4.018 4.899 ( 5.478 -2.793 -4.162) 7.425 5.217 ( 3.205 0.294 5.240) 6.150 5.246 ( 0.557 -0.518 3.492) 3.574 5.373 ( -0.076 0.176 0.475) 0.512 5.409 ( -0.262 2.153 -0.361) 2.198 5.448 ( 1.350 -1.691 3.999) 4.547 5.549 ( -1.233 -3.633 -0.135) 3.838 5.562 ( -1.732 -0.391 -1.486) 2.315 5.625 ( 1.939 -0.569 3.111) 3.710 5.853 ( 3.784 1.428 0.696) 4.104 5.978 ( 6.525 -0.577 -2.790) 7.120 ======================= Grid point 236 (91/147) ======================= q-point: (-0.38 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -9.588 -1.035 21.216) 23.305 1.133 ( 1.535 16.939 0.914) 17.033 1.360 ( -3.371 4.995 4.341) 7.426 1.456 ( -1.495 3.291 -5.968) 6.978 1.687 ( -6.342 2.566 0.658) 6.873 1.852 ( -2.144 -1.184 -0.753) 2.562 1.910 ( -10.633 -1.798 2.232) 11.012 2.032 ( -4.756 -1.443 -2.082) 5.388 2.078 ( -5.892 0.319 1.458) 6.078 2.323 ( -4.687 -5.449 -1.007) 7.257 2.539 ( -0.409 -4.287 4.515) 6.240 2.576 ( 0.153 -0.261 7.687) 7.693 2.926 ( -4.079 -1.335 0.741) 4.355 3.018 ( -3.302 -0.742 -3.065) 4.566 3.133 ( -0.355 1.790 -5.961) 6.234 3.243 ( 0.618 0.153 -3.712) 3.767 3.623 ( 1.490 -1.595 -4.170) 4.707 3.868 ( 1.989 7.300 -9.900) 12.460 3.933 ( -7.549 1.331 1.076) 7.741 4.018 ( -7.488 -0.823 0.409) 7.544 4.171 ( -9.473 -2.426 -1.427) 9.882 4.234 ( -5.504 -1.409 -1.669) 5.922 4.502 ( 0.644 -1.676 7.515) 7.726 4.576 ( 2.010 -2.401 3.919) 5.016 4.867 ( 1.426 0.198 -4.875) 5.083 4.996 ( 2.736 -2.240 -3.155) 4.739 5.258 ( 0.751 1.032 3.405) 3.636 5.295 ( 3.947 -1.683 3.230) 5.371 5.371 ( -0.007 0.480 -0.163) 0.507 5.384 ( -0.871 0.225 0.822) 1.219 5.447 ( -1.026 -1.065 1.769) 2.306 5.477 ( -4.245 -1.668 -0.586) 4.599 5.646 ( 4.400 -1.099 0.794) 4.604 5.667 ( 1.777 -0.354 4.661) 5.001 5.902 ( 2.341 2.811 0.934) 3.775 6.090 ( 4.583 -0.161 -3.623) 5.844 ======================= Grid point 237 (92/147) ======================= q-point: (-0.31 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 0.000 -0.543 25.212) 25.218 1.098 ( -0.000 15.109 5.329) 16.021 1.236 ( -0.000 8.471 -3.950) 9.346 1.454 ( -0.000 14.792 1.017) 14.827 1.527 ( -0.000 2.904 -5.751) 6.443 1.797 ( 0.000 -1.258 3.415) 3.639 1.883 ( 0.000 -4.911 0.193) 4.915 1.990 ( 0.000 -1.082 -1.994) 2.268 1.998 ( -0.000 0.612 3.200) 3.258 2.326 ( 0.000 -9.212 -1.988) 9.424 2.565 ( 0.000 -2.398 6.049) 6.508 2.586 ( 0.000 -3.982 6.932) 7.994 2.896 ( 0.000 -2.699 0.980) 2.871 2.986 ( 0.000 -0.803 -1.159) 1.410 3.130 ( -0.000 0.392 -5.965) 5.978 3.254 ( -0.000 0.696 -6.106) 6.146 3.662 ( 0.000 -0.809 -6.396) 6.447 3.843 ( -0.000 0.796 0.899) 1.200 3.853 ( -0.000 8.711 -10.223) 13.431 3.928 ( 0.000 -0.930 -1.403) 1.683 4.072 ( 0.000 -1.930 1.903) 2.711 4.188 ( 0.000 -2.347 -1.107) 2.595 4.519 ( 0.000 -1.674 8.048) 8.221 4.612 ( 0.000 -2.932 5.525) 6.255 4.882 ( 0.000 -0.426 -5.066) 5.084 5.032 ( 0.000 -1.741 -2.434) 2.992 5.258 ( -0.000 1.552 3.657) 3.973 5.355 ( -0.000 1.077 0.393) 1.146 5.363 ( 0.000 -2.942 1.221) 3.185 5.393 ( -0.000 1.171 -0.509) 1.277 5.428 ( 0.000 -4.360 0.955) 4.464 5.440 ( -0.000 0.071 0.045) 0.085 5.687 ( 0.000 -0.084 4.470) 4.471 5.695 ( 0.000 -0.441 2.856) 2.890 5.906 ( -0.000 3.774 0.865) 3.872 6.139 ( 0.000 -0.184 -4.318) 4.322 ======================= Grid point 246 (93/147) ======================= q-point: (-0.62 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -14.307 -0.000 14.222) 20.173 1.505 ( -5.570 -0.000 -0.912) 5.644 1.594 ( -9.617 -0.000 -0.258) 9.621 1.662 ( -2.993 -0.000 2.136) 3.677 1.689 ( -5.561 -0.000 0.833) 5.623 1.844 ( -4.523 -0.000 -0.347) 4.537 2.207 ( -6.047 -0.000 0.167) 6.049 2.247 ( -1.791 -0.000 -0.028) 1.791 2.488 ( -3.814 -0.000 3.101) 4.915 2.513 ( -2.849 -0.000 -0.751) 2.946 2.623 ( -5.834 -0.000 0.925) 5.907 2.671 ( -7.954 -0.000 0.799) 7.994 2.817 ( 10.125 0.000 -3.576) 10.737 3.147 ( -3.213 -0.000 -4.753) 5.737 3.422 ( -13.025 -0.000 2.729) 13.308 3.600 ( -15.509 -0.000 -3.050) 15.806 3.645 ( -1.476 -0.000 -3.004) 3.347 3.768 ( 7.338 0.000 -7.751) 10.674 4.287 ( 3.700 0.000 3.325) 4.974 4.306 ( -5.839 -0.000 1.180) 5.957 4.322 ( -5.282 -0.000 3.882) 6.555 4.440 ( -2.406 -0.000 -1.775) 2.990 4.463 ( -2.529 -0.000 -1.431) 2.906 4.688 ( -10.272 -0.000 -1.401) 10.367 4.720 ( 6.376 0.000 1.962) 6.671 4.816 ( 1.212 0.000 -6.139) 6.257 5.187 ( 1.266 0.000 9.349) 9.434 5.231 ( -0.656 -0.000 0.504) 0.827 5.336 ( 4.491 0.000 0.814) 4.564 5.408 ( -2.082 -0.000 1.637) 2.649 5.423 ( 0.116 0.000 0.098) 0.151 5.560 ( -3.272 -0.000 0.496) 3.310 5.586 ( 0.954 0.000 1.212) 1.543 5.644 ( -4.130 -0.000 -1.454) 4.379 5.784 ( 4.101 0.000 0.543) 4.137 5.836 ( 6.955 0.000 -1.890) 7.207 ======================= Grid point 248 (94/147) ======================= q-point: (-0.54 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -15.710 -0.097 16.058) 22.465 1.398 ( -3.028 9.574 -2.258) 10.292 1.457 ( -4.401 -1.140 0.223) 4.551 1.573 ( -3.715 4.134 3.050) 6.340 1.670 ( -1.164 -6.754 1.209) 6.960 1.814 ( 0.470 -3.656 0.284) 3.697 2.100 ( -6.273 -0.813 2.959) 6.983 2.173 ( -7.073 -0.745 -0.975) 7.178 2.243 ( -15.998 1.573 -3.331) 16.417 2.403 ( -7.283 -0.928 -2.175) 7.657 2.551 ( -4.350 -0.118 3.509) 5.590 2.570 ( -0.430 -0.438 8.016) 8.040 2.992 ( 5.633 0.390 -8.751) 10.415 3.064 ( -5.492 0.297 -1.837) 5.799 3.245 ( -5.628 0.656 2.051) 6.026 3.309 ( -11.600 1.410 -3.219) 12.121 3.603 ( -2.224 -1.105 -2.750) 3.706 3.884 ( 4.765 1.612 -9.907) 11.111 4.138 ( -10.754 0.946 2.196) 11.017 4.162 ( -8.434 -0.850 1.876) 8.682 4.327 ( -4.336 0.072 -0.419) 4.356 4.340 ( -6.074 0.093 -1.127) 6.179 4.492 ( -3.432 -0.327 2.957) 4.542 4.501 ( 0.527 -1.284 1.837) 2.302 4.841 ( 3.865 1.669 -3.350) 5.381 4.867 ( 4.728 -2.629 -4.075) 6.773 5.219 ( 2.192 0.044 7.401) 7.719 5.243 ( 1.430 -0.103 1.284) 1.925 5.374 ( -1.102 0.111 1.669) 2.003 5.422 ( 0.721 -0.399 2.489) 2.622 5.455 ( 2.892 3.166 0.149) 4.290 5.502 ( -0.629 -4.006 -0.210) 4.060 5.561 ( -3.471 -0.016 -1.371) 3.732 5.621 ( 2.214 -0.216 3.007) 3.740 5.864 ( 4.157 0.505 0.824) 4.268 5.973 ( 6.873 -0.194 -2.721) 7.394 ======================= Grid point 249 (95/147) ======================= q-point: (-0.46 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -10.504 -1.398 22.258) 24.652 1.296 ( -0.978 10.369 1.002) 10.463 1.420 ( -1.596 5.209 5.482) 7.728 1.482 ( -1.282 0.952 -4.897) 5.150 1.685 ( -0.903 -1.576 -1.270) 2.217 1.842 ( -0.463 -0.474 -0.918) 1.132 1.899 ( -10.519 -0.541 1.233) 10.605 2.013 ( -6.670 -1.678 -2.359) 7.272 2.085 ( -3.286 0.438 -0.776) 3.405 2.277 ( -6.578 -2.281 1.921) 7.222 2.497 ( -1.585 -2.536 4.157) 5.120 2.574 ( 0.289 -0.183 8.362) 8.369 2.922 ( -6.314 0.449 0.928) 6.397 3.011 ( -2.814 -0.502 -3.601) 4.598 3.152 ( -2.087 1.561 -5.669) 6.240 3.236 ( 0.593 -1.194 -6.766) 6.896 3.602 ( 1.429 -1.627 -1.046) 2.405 3.925 ( -2.650 2.334 -5.524) 6.556 3.957 ( -2.487 2.642 -4.193) 5.545 4.008 ( -7.629 -0.685 0.690) 7.691 4.148 ( -9.693 -1.396 -0.819) 9.827 4.221 ( -5.815 -0.716 -1.478) 6.043 4.489 ( 1.229 -0.618 8.269) 8.382 4.554 ( 1.932 -1.293 2.424) 3.359 4.878 ( 1.653 1.543 -6.095) 6.501 4.967 ( 3.042 -2.586 -2.877) 4.921 5.264 ( 1.581 -0.287 5.920) 6.134 5.281 ( 2.769 -0.333 1.349) 3.098 5.363 ( -0.159 -0.768 1.541) 1.729 5.401 ( -2.391 1.517 0.318) 2.849 5.436 ( -0.135 -0.769 2.156) 2.293 5.463 ( -4.027 -0.812 -0.547) 4.144 5.636 ( 5.541 -0.625 -0.821) 5.636 5.664 ( 1.855 -0.241 4.592) 4.958 5.927 ( 2.716 1.541 1.281) 3.375 6.088 ( 4.549 -0.173 -3.316) 5.632 ======================= Grid point 250 (96/147) ======================= q-point: (-0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.000 -2.393 26.619) 26.726 1.245 ( -0.000 9.995 3.809) 10.696 1.317 ( -0.000 5.890 3.426) 6.814 1.558 ( -0.000 2.339 -4.061) 4.686 1.586 ( -0.000 7.023 -7.989) 10.637 1.791 ( -0.000 0.310 2.718) 2.735 1.847 ( 0.000 -1.112 -1.803) 2.118 1.971 ( 0.000 -2.145 -1.949) 2.899 2.028 ( -0.000 3.840 2.838) 4.775 2.232 ( 0.000 -6.508 2.691) 7.042 2.508 ( 0.000 -4.556 4.437) 6.360 2.578 ( 0.000 -0.137 8.235) 8.236 2.866 ( 0.000 -2.312 1.218) 2.613 2.979 ( 0.000 -0.425 -1.461) 1.522 3.133 ( -0.000 0.177 -5.585) 5.588 3.253 ( 0.000 -0.862 -10.552) 10.587 3.643 ( 0.000 -1.916 -1.380) 2.361 3.852 ( -0.000 0.759 0.702) 1.034 3.918 ( 0.000 -0.842 -1.060) 1.354 3.945 ( -0.000 6.608 -10.972) 12.808 4.053 ( 0.000 -1.325 1.741) 2.188 4.164 ( 0.000 -1.682 -1.092) 2.005 4.506 ( 0.000 -0.683 8.499) 8.526 4.583 ( 0.000 -1.959 3.592) 4.091 4.886 ( -0.000 1.194 -6.019) 6.136 5.009 ( 0.000 -2.246 -2.858) 3.634 5.275 ( -0.000 1.315 4.491) 4.679 5.330 ( 0.000 -2.590 1.788) 3.147 5.366 ( -0.000 0.762 0.414) 0.867 5.383 ( 0.000 -3.083 1.582) 3.465 5.405 ( -0.000 0.792 -0.505) 0.939 5.441 ( 0.000 -0.088 1.099) 1.103 5.684 ( 0.000 -0.287 5.516) 5.524 5.695 ( -0.000 0.092 -0.471) 0.480 5.943 ( -0.000 2.565 1.352) 2.899 6.136 ( 0.000 -0.326 -3.717) 3.731 ======================= Grid point 261 (97/147) ======================= q-point: (-0.54 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -10.915 -0.000 22.687) 25.176 1.357 ( -2.883 -0.000 4.387) 5.249 1.471 ( 4.668 0.000 -8.349) 9.565 1.472 ( -7.294 -0.000 6.467) 9.748 1.673 ( 1.086 0.000 -1.652) 1.977 1.840 ( 1.691 0.000 -1.829) 2.490 1.895 ( -10.084 -0.000 1.843) 10.251 2.002 ( -7.692 -0.000 -2.669) 8.142 2.086 ( -2.709 -0.000 -2.037) 3.389 2.266 ( -6.793 -0.000 3.197) 7.508 2.483 ( -1.989 -0.000 4.065) 4.526 2.573 ( 0.292 0.000 8.551) 8.556 2.927 ( -7.480 -0.000 1.010) 7.548 3.008 ( -2.494 -0.000 -3.905) 4.633 3.164 ( -3.581 -0.000 -4.869) 6.044 3.226 ( 1.127 0.000 -8.561) 8.634 3.592 ( 1.560 0.000 0.271) 1.583 3.936 ( -5.543 -0.000 -2.465) 6.066 3.975 ( 0.607 0.000 -7.576) 7.600 4.004 ( -7.660 -0.000 0.806) 7.702 4.140 ( -9.770 -0.000 -0.597) 9.788 4.217 ( -5.889 -0.000 -1.469) 6.069 4.486 ( 1.419 0.000 8.553) 8.670 4.547 ( 1.881 0.000 1.818) 2.616 4.892 ( 1.619 0.000 -7.667) 7.836 4.947 ( 3.310 0.000 -1.625) 3.687 5.260 ( 2.107 0.000 6.620) 6.948 5.281 ( 2.046 0.000 0.805) 2.199 5.359 ( -0.393 -0.000 2.039) 2.076 5.411 ( -3.303 -0.000 0.476) 3.337 5.431 ( 0.316 0.000 2.297) 2.319 5.458 ( -3.624 -0.000 -0.632) 3.678 5.632 ( 6.065 0.000 -1.499) 6.248 5.662 ( 1.863 0.000 4.622) 4.983 5.937 ( 2.857 0.000 1.427) 3.193 6.087 ( 4.520 0.000 -3.223) 5.552 ======================= Grid point 263 (98/147) ======================= q-point: (-0.46 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 -1.270 27.749) 27.778 1.323 ( -0.000 3.405 3.141) 4.632 1.368 ( -0.000 2.498 8.545) 8.902 1.578 ( -0.000 0.916 -2.970) 3.108 1.623 ( -0.000 0.729 -13.151) 13.171 1.801 ( -0.000 0.914 1.825) 2.041 1.849 ( -0.000 0.737 -3.348) 3.428 1.947 ( 0.000 -1.529 -1.627) 2.232 2.061 ( -0.000 1.178 -0.820) 1.435 2.188 ( 0.000 -1.254 8.389) 8.482 2.472 ( 0.000 -1.588 3.791) 4.110 2.576 ( 0.000 -0.150 8.585) 8.587 2.847 ( 0.000 -0.905 1.382) 1.652 2.976 ( 0.000 -0.139 -1.668) 1.674 3.135 ( -0.000 0.072 -5.044) 5.045 3.240 ( 0.000 -0.865 -13.028) 13.057 3.627 ( 0.000 -0.748 1.525) 1.698 3.859 ( -0.000 0.359 0.548) 0.655 3.910 ( 0.000 -0.387 -0.818) 0.905 3.998 ( -0.000 2.424 -11.561) 11.813 4.042 ( 0.000 -0.469 1.639) 1.705 4.151 ( 0.000 -0.611 -1.078) 1.239 4.501 ( 0.000 -0.147 8.896) 8.897 4.568 ( 0.000 -0.716 2.354) 2.461 4.904 ( -0.000 1.394 -7.455) 7.584 4.984 ( 0.000 -1.699 -2.233) 2.806 5.285 ( -0.000 0.361 6.052) 6.063 5.309 ( 0.000 -0.918 1.107) 1.438 5.359 ( 0.000 -0.984 1.970) 2.203 5.372 ( -0.000 0.274 0.422) 0.503 5.411 ( -0.000 0.279 -0.501) 0.573 5.439 ( 0.000 -0.153 1.796) 1.803 5.682 ( 0.000 -0.087 5.343) 5.344 5.695 ( -0.000 0.048 -1.673) 1.673 5.963 ( -0.000 0.926 1.675) 1.914 6.133 ( 0.000 -0.161 -3.438) 3.441 ======================= Grid point 350 (99/147) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 147 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( 0.000 0.000 16.378) 16.378 0.811 ( 0.000 0.000 -15.809) 15.809 0.820 ( 0.000 0.000 19.323) 19.323 1.167 ( 0.000 0.000 -16.049) 16.049 1.480 ( 0.000 0.000 26.979) 26.979 1.904 ( 0.000 0.000 -16.134) 16.134 1.931 ( 0.000 0.000 2.352) 2.352 1.965 ( 0.000 0.000 -1.230) 1.230 2.423 ( 0.000 0.000 11.152) 11.152 2.584 ( 0.000 0.000 -5.699) 5.699 2.615 ( 0.000 0.000 9.365) 9.365 2.814 ( 0.000 0.000 -6.233) 6.233 2.977 ( 0.000 0.000 1.670) 1.670 3.010 ( 0.000 0.000 -1.643) 1.643 3.098 ( 0.000 0.000 -2.008) 2.008 3.125 ( 0.000 0.000 -8.000) 8.000 3.351 ( 0.000 0.000 4.834) 4.834 3.449 ( 0.000 0.000 -5.002) 5.002 3.857 ( 0.000 0.000 2.235) 2.235 3.905 ( 0.000 0.000 -2.622) 2.622 4.192 ( 0.000 0.000 2.566) 2.566 4.238 ( 0.000 0.000 -2.005) 2.005 4.708 ( 0.000 0.000 4.151) 4.151 4.785 ( 0.000 0.000 -3.418) 3.418 5.019 ( 0.000 0.000 1.546) 1.546 5.048 ( 0.000 0.000 -1.144) 1.144 5.273 ( 0.000 0.000 0.469) 0.469 5.288 ( 0.000 0.000 -0.965) 0.965 5.325 ( 0.000 0.000 0.500) 0.500 5.337 ( 0.000 0.000 -0.635) 0.635 5.577 ( 0.000 0.000 -0.043) 0.043 5.581 ( 0.000 0.000 -0.146) 0.146 5.714 ( 0.000 0.000 1.090) 1.090 5.725 ( 0.000 0.000 0.024) 0.024 5.880 ( 0.000 0.000 4.851) 4.851 5.979 ( 0.000 0.000 -4.836) 4.836 ======================= Grid point 351 (100/147) ======================= q-point: ( 0.08 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 14.659 -1.851 9.049) 17.327 0.791 ( 7.668 -3.051 0.277) 8.257 1.095 ( 15.344 -2.303 -0.115) 15.517 1.240 ( 6.459 -1.340 -10.579) 12.467 1.614 ( 13.264 -1.750 25.277) 28.599 1.962 ( 3.350 0.547 2.042) 3.961 1.994 ( 3.440 0.566 -2.287) 4.169 2.007 ( 9.180 -0.235 -13.687) 16.482 2.420 ( 0.841 3.673 9.241) 9.980 2.542 ( -1.999 5.217 -2.167) 5.993 2.596 ( -2.411 -2.823 6.692) 7.653 2.767 ( -2.605 -0.331 -5.207) 5.832 2.991 ( -3.877 0.735 1.238) 4.136 3.072 ( 5.280 -0.711 2.168) 5.752 3.082 ( 0.669 3.650 -6.918) 7.850 3.123 ( 2.881 -2.938 -5.844) 7.147 3.346 ( -0.898 -2.253 4.852) 5.425 3.448 ( -0.333 -1.395 -5.214) 5.408 3.945 ( 8.322 -0.096 2.543) 8.703 3.998 ( 8.103 -0.040 -2.685) 8.537 4.232 ( 3.703 0.259 0.682) 3.774 4.259 ( 2.284 0.307 -1.698) 2.862 4.678 ( -2.827 0.759 3.576) 4.621 4.745 ( -3.730 0.810 -3.083) 4.907 4.988 ( -2.541 2.060 0.749) 3.356 5.008 ( -3.841 -0.131 -1.087) 3.994 5.266 ( -0.341 0.010 1.634) 1.669 5.298 ( 0.032 -0.267 -1.466) 1.491 5.339 ( 1.252 -0.246 0.956) 1.594 5.356 ( 2.570 -0.607 -0.911) 2.794 5.582 ( 0.251 1.342 0.429) 1.431 5.589 ( 1.289 2.173 -0.007) 2.527 5.713 ( -0.804 -1.020 1.087) 1.694 5.722 ( -0.781 -1.475 -0.013) 1.669 5.852 ( -2.242 0.224 5.201) 5.668 5.958 ( -1.726 -0.510 -5.187) 5.490 ======================= Grid point 352 (101/147) ======================= q-point: ( 0.15 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 19.507 1.651 4.343) 20.053 1.076 ( 17.071 -3.602 -2.819) 17.673 1.380 ( 12.762 -1.255 0.997) 12.863 1.408 ( 10.182 -1.861 -1.949) 10.532 1.935 ( 13.743 -1.341 13.800) 19.523 2.028 ( 3.716 0.864 -0.152) 3.818 2.080 ( 8.153 0.351 1.328) 8.268 2.229 ( 11.355 0.737 -8.167) 14.006 2.413 ( 0.434 3.065 4.509) 5.469 2.479 ( -1.242 3.441 -1.822) 4.087 2.581 ( -0.522 -3.301 8.293) 8.941 2.749 ( 1.174 0.639 -5.241) 5.409 2.890 ( -5.245 0.769 3.747) 6.491 3.021 ( -2.534 1.809 -8.804) 9.338 3.203 ( 6.232 0.461 1.832) 6.512 3.262 ( 7.671 -2.481 -4.752) 9.359 3.354 ( 0.510 -2.836 4.863) 5.653 3.469 ( 2.383 -1.865 -6.060) 6.774 4.140 ( 10.819 -0.261 2.267) 11.057 4.171 ( 8.978 -0.496 -0.702) 9.019 4.307 ( 3.324 -0.449 0.277) 3.366 4.319 ( 3.779 -0.318 -1.081) 3.943 4.593 ( -5.487 0.731 2.116) 5.926 4.647 ( -5.144 1.073 -3.732) 6.445 4.893 ( -5.749 1.235 1.393) 6.044 4.932 ( -3.466 1.023 -2.497) 4.393 5.261 ( -0.070 0.469 1.741) 1.804 5.287 ( -0.798 -0.267 -0.466) 0.962 5.396 ( 4.007 0.447 1.079) 4.174 5.418 ( 3.440 0.267 -1.021) 3.598 5.559 ( -1.787 0.405 1.569) 2.413 5.590 ( -0.275 1.668 -1.134) 2.036 5.686 ( -1.931 0.254 1.238) 2.307 5.696 ( -2.709 -0.615 0.263) 2.790 5.824 ( -0.094 -0.017 5.630) 5.631 5.937 ( -0.446 0.567 -5.493) 5.540 ======================= Grid point 353 (102/147) ======================= q-point: ( 0.23 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 18.987 1.091 2.409) 19.170 1.421 ( 16.183 -1.842 -3.044) 16.569 1.611 ( 12.586 0.871 4.478) 13.388 1.648 ( 12.720 -0.006 1.213) 12.778 2.054 ( 3.420 2.274 0.502) 4.137 2.092 ( 3.623 0.039 -2.623) 4.473 2.278 ( 6.239 2.320 5.039) 8.349 2.343 ( 1.155 1.429 -1.079) 2.131 2.404 ( -0.768 -1.082 2.036) 2.430 2.465 ( -0.428 1.603 -3.281) 3.676 2.621 ( 3.647 -0.209 10.889) 11.485 2.796 ( -2.888 -0.159 7.417) 7.961 2.822 ( 4.926 0.332 -8.021) 9.419 2.974 ( -1.331 0.694 -10.949) 11.051 3.298 ( 2.477 -3.044 2.554) 4.683 3.354 ( -0.427 -5.742 -2.608) 6.321 3.474 ( 11.530 -0.811 4.457) 12.388 3.600 ( 10.974 0.239 -7.511) 13.301 4.321 ( 4.632 -0.274 1.748) 4.959 4.329 ( 2.165 -0.273 3.146) 3.829 4.346 ( 6.589 -1.170 0.309) 6.700 4.397 ( 2.839 -0.809 -2.180) 3.670 4.470 ( -5.489 0.357 2.988) 6.260 4.577 ( -0.802 -0.095 -6.420) 6.470 4.783 ( -4.542 0.327 3.923) 6.011 4.871 ( -1.840 1.449 -4.793) 5.335 5.258 ( 0.351 0.960 1.684) 1.970 5.280 ( -0.015 -0.011 -0.175) 0.176 5.444 ( -0.704 0.928 2.379) 2.649 5.471 ( 2.996 2.215 -0.157) 3.729 5.542 ( 0.897 -0.750 0.226) 1.191 5.562 ( -1.711 -0.632 -1.713) 2.502 5.644 ( -1.865 0.996 1.069) 2.369 5.650 ( -1.571 0.615 0.531) 1.769 5.834 ( 0.800 1.009 4.629) 4.805 5.924 ( -0.283 2.359 -4.344) 4.951 ======================= Grid point 354 (103/147) ======================= q-point: ( 0.31 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 13.212 -0.765 1.305) 13.298 1.697 ( 11.403 -0.939 -0.204) 11.443 1.845 ( 11.809 3.533 3.058) 12.699 1.876 ( 11.523 2.375 2.180) 11.966 2.102 ( 2.953 0.633 1.703) 3.468 2.174 ( 3.679 -0.792 -4.172) 5.618 2.281 ( -1.746 3.403 3.509) 5.191 2.339 ( 0.026 1.519 -1.698) 2.279 2.376 ( -2.344 -0.473 1.329) 2.736 2.405 ( -2.694 2.551 -1.079) 3.864 2.665 ( 1.209 2.250 10.177) 10.493 2.758 ( -1.209 -1.044 5.828) 6.043 2.895 ( 1.334 1.509 -6.426) 6.734 2.963 ( -0.047 -0.803 -12.818) 12.843 3.329 ( -1.952 -5.642 1.454) 6.145 3.358 ( -3.180 -6.398 -1.489) 7.298 3.770 ( 17.412 -1.386 3.645) 17.843 3.856 ( 14.766 1.188 -4.938) 15.615 4.249 ( -4.807 0.152 3.524) 5.962 4.314 ( -5.852 0.692 -2.851) 6.546 4.437 ( 4.199 -0.728 1.387) 4.481 4.468 ( 3.990 -0.733 -1.706) 4.401 4.512 ( 4.501 -1.156 4.293) 6.327 4.609 ( 2.776 -1.324 -5.025) 5.892 4.731 ( -0.870 -0.256 5.592) 5.665 4.846 ( -0.227 1.107 -5.910) 6.017 5.268 ( 1.192 0.684 1.961) 2.395 5.288 ( 0.858 0.040 -0.208) 0.884 5.397 ( -2.701 -0.022 3.841) 4.696 5.471 ( -1.495 0.391 -2.993) 3.368 5.554 ( 0.205 1.221 1.434) 1.895 5.570 ( 0.790 1.627 -0.486) 1.873 5.617 ( -0.367 -0.217 1.165) 1.240 5.634 ( 0.277 0.095 -0.822) 0.873 5.833 ( 0.071 2.162 3.365) 4.001 5.896 ( -0.744 3.453 -2.996) 4.632 ======================= Grid point 355 (104/147) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 3.832 0.206 0.879) 3.936 1.861 ( 4.483 -0.392 -0.532) 4.532 2.006 ( 7.113 2.866 3.559) 8.454 2.046 ( 6.976 2.408 0.243) 7.384 2.143 ( -0.906 -0.241 1.473) 1.746 2.167 ( -2.549 1.916 -0.937) 3.324 2.243 ( 1.361 1.534 7.035) 7.328 2.326 ( -0.159 1.328 -0.655) 1.490 2.367 ( 0.665 -0.261 0.782) 1.059 2.410 ( 3.353 1.052 -2.164) 4.127 2.685 ( 2.500 0.657 8.413) 8.801 2.777 ( 4.246 0.838 4.085) 5.951 2.871 ( -1.099 1.959 -5.991) 6.398 2.967 ( -0.067 -0.126 -14.766) 14.766 3.281 ( -6.516 -5.705 0.715) 8.690 3.290 ( -7.661 -6.046 -0.435) 9.769 4.047 ( 6.386 0.969 2.028) 6.770 4.081 ( 4.568 0.456 -1.397) 4.798 4.221 ( 6.897 -0.069 1.624) 7.086 4.264 ( 3.778 0.950 -2.701) 4.740 4.498 ( 1.871 -0.598 1.189) 2.296 4.520 ( 1.227 -0.049 -1.005) 1.587 4.598 ( 3.836 -1.110 4.275) 5.850 4.679 ( 3.272 -1.435 -3.554) 5.039 4.738 ( 0.709 -1.203 4.175) 4.402 4.836 ( -0.750 0.092 -5.262) 5.316 5.296 ( 1.709 -0.092 3.092) 3.534 5.312 ( 1.444 -0.570 0.130) 1.558 5.358 ( -1.335 -0.820 3.318) 3.669 5.442 ( -1.357 -0.290 -3.509) 3.773 5.533 ( -1.186 1.903 1.083) 2.490 5.547 ( -1.521 2.201 -0.526) 2.726 5.621 ( -0.033 -0.246 1.466) 1.487 5.644 ( 0.220 0.190 -1.011) 1.052 5.816 ( -0.311 2.286 2.487) 3.393 5.863 ( -0.547 3.028 -2.290) 3.836 ======================= Grid point 356 (105/147) ======================= q-point: ( 0.46 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -0.488 -0.414 2.271) 2.360 1.903 ( 0.347 0.055 -1.961) 1.992 2.041 ( -0.377 2.390 2.487) 3.470 2.083 ( -0.474 1.887 -0.588) 2.033 2.153 ( 1.070 0.185 0.700) 1.292 2.156 ( 2.407 0.008 0.114) 2.410 2.293 ( 2.686 0.002 7.680) 8.137 2.331 ( 0.596 -0.010 0.347) 0.690 2.356 ( -1.673 -0.159 4.285) 4.603 2.443 ( 0.316 0.121 -0.126) 0.361 2.729 ( 0.428 -0.444 2.953) 3.017 2.882 ( 6.670 2.960 -2.845) 7.832 2.926 ( 7.327 1.751 -1.490) 7.679 2.968 ( 0.731 0.667 -12.720) 12.758 3.150 ( -8.574 -4.052 0.607) 9.503 3.157 ( -8.286 -3.960 -0.003) 9.184 4.059 ( -0.734 0.440 1.110) 1.401 4.074 ( -1.032 0.157 -0.435) 1.131 4.383 ( 5.878 0.737 1.379) 6.083 4.421 ( 8.074 1.009 -2.389) 8.480 4.512 ( -1.005 -0.331 0.240) 1.085 4.518 ( -1.160 0.109 -0.338) 1.213 4.662 ( 1.643 -0.642 4.488) 4.822 4.727 ( 1.115 -0.501 0.058) 1.224 4.771 ( 1.526 -1.278 -1.030) 2.241 4.814 ( -1.366 -0.432 -3.431) 3.718 5.315 ( 0.108 -0.104 6.751) 6.752 5.351 ( 1.860 -1.161 0.510) 2.252 5.364 ( 0.959 -1.090 -0.038) 1.452 5.419 ( -1.111 0.386 -2.906) 3.135 5.495 ( -1.503 1.233 -0.081) 1.946 5.501 ( -1.417 1.283 -0.382) 1.949 5.617 ( -0.190 -0.024 1.332) 1.346 5.637 ( -0.369 0.363 -0.887) 1.027 5.803 ( -0.030 0.930 2.090) 2.287 5.844 ( -0.113 1.137 -2.105) 2.395 ======================= Grid point 364 (106/147) ======================= q-point: ( 0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 20.357 0.000 1.986) 20.453 1.045 ( 17.460 0.000 -0.020) 17.460 1.373 ( 14.243 0.000 -0.038) 14.243 1.396 ( 9.937 0.000 -2.392) 10.221 1.926 ( 15.493 0.000 15.741) 22.087 2.033 ( 3.436 0.000 0.119) 3.438 2.082 ( 7.456 0.000 0.681) 7.487 2.233 ( 11.684 0.000 -9.126) 14.826 2.432 ( -1.194 -0.000 4.314) 4.476 2.507 ( -2.798 -0.000 -3.664) 4.610 2.555 ( 0.538 0.000 11.062) 11.075 2.753 ( 1.354 0.000 -6.641) 6.777 2.895 ( -5.465 -0.000 4.699) 7.207 3.032 ( -2.701 -0.000 -8.845) 9.248 3.213 ( 5.688 0.000 0.156) 5.690 3.236 ( 6.631 0.000 -3.780) 7.632 3.340 ( 1.905 0.000 5.925) 6.224 3.458 ( 2.930 0.000 -5.930) 6.615 4.138 ( 10.863 0.000 2.203) 11.085 4.168 ( 8.830 0.000 -0.661) 8.854 4.304 ( 3.139 0.000 0.266) 3.150 4.317 ( 3.544 0.000 -1.168) 3.731 4.597 ( -5.662 -0.000 2.146) 6.055 4.654 ( -5.361 -0.000 -3.995) 6.686 4.900 ( -6.377 -0.000 1.390) 6.527 4.938 ( -3.274 -0.000 -2.428) 4.076 5.264 ( 0.097 0.000 1.526) 1.529 5.286 ( -0.748 -0.000 -0.106) 0.755 5.399 ( 4.132 0.000 0.899) 4.229 5.420 ( 4.114 0.000 -1.208) 4.287 5.562 ( -2.464 -0.000 1.891) 3.106 5.601 ( -1.152 -0.000 -1.723) 2.073 5.688 ( -1.605 -0.000 1.006) 1.894 5.692 ( -1.982 -0.000 0.741) 2.116 5.825 ( -0.031 -0.000 5.782) 5.782 5.940 ( 0.043 0.000 -5.659) 5.659 ======================= Grid point 365 (107/147) ======================= q-point: ( 0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 18.003 1.582 0.650) 18.085 1.400 ( 16.945 -1.741 -1.266) 17.081 1.621 ( 13.588 0.538 3.404) 14.018 1.648 ( 14.074 -0.025 1.618) 14.167 2.071 ( 3.169 0.734 -0.321) 3.269 2.089 ( 2.526 -0.323 -1.605) 3.010 2.295 ( 8.125 0.601 5.434) 9.793 2.354 ( 0.436 0.552 -1.263) 1.446 2.395 ( -1.622 -0.393 3.084) 3.506 2.485 ( 0.452 1.244 -3.970) 4.185 2.619 ( 5.724 -0.055 10.836) 12.255 2.793 ( -4.601 -0.194 7.952) 9.190 2.824 ( 5.562 0.031 -8.421) 10.092 2.982 ( -2.330 0.428 -11.573) 11.813 3.277 ( 1.222 -0.541 1.072) 1.713 3.302 ( -0.249 -2.885 -1.638) 3.327 3.467 ( 11.212 -0.354 5.966) 12.705 3.603 ( 11.670 0.152 -7.699) 13.982 4.319 ( 4.644 -0.079 1.537) 4.892 4.327 ( 1.004 -0.051 3.302) 3.451 4.336 ( 8.190 -0.516 0.311) 8.212 4.390 ( 3.265 -0.349 -1.879) 3.783 4.473 ( -6.152 0.156 2.408) 6.608 4.576 ( -1.530 -0.022 -6.666) 6.839 4.786 ( -4.821 0.113 4.513) 6.605 4.882 ( -2.025 0.496 -5.172) 5.576 5.268 ( 0.423 0.540 1.091) 1.289 5.278 ( -0.003 -0.196 0.512) 0.548 5.452 ( -0.737 0.412 2.594) 2.728 5.494 ( 3.061 1.508 -1.105) 3.587 5.531 ( 1.252 -0.927 0.459) 1.624 5.555 ( -2.505 -0.394 -1.916) 3.178 5.652 ( -1.835 0.401 0.987) 2.122 5.655 ( -1.538 0.216 0.764) 1.731 5.842 ( 1.264 0.382 5.314) 5.476 5.943 ( 0.107 0.886 -4.792) 4.875 ======================= Grid point 366 (108/147) ======================= q-point: ( 0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 12.336 -0.412 0.762) 12.366 1.689 ( 12.418 -0.550 -0.090) 12.430 1.881 ( 12.271 2.508 3.102) 12.903 1.898 ( 12.113 1.276 3.693) 12.728 2.103 ( 1.021 0.021 -0.331) 1.073 2.146 ( 2.014 -2.926 -3.347) 4.881 2.323 ( -0.778 2.843 2.319) 3.750 2.348 ( 0.546 0.377 -0.987) 1.189 2.374 ( -1.937 -0.078 3.464) 3.969 2.448 ( -1.961 3.859 -2.203) 4.857 2.695 ( 1.524 2.293 9.019) 9.430 2.748 ( -0.181 -0.249 7.584) 7.590 2.906 ( 1.195 0.386 -7.022) 7.134 2.952 ( -0.113 -1.037 -13.745) 13.785 3.275 ( -2.682 -3.423 1.214) 4.515 3.294 ( -2.812 -4.253 -0.781) 5.158 3.756 ( 17.604 -0.911 4.997) 18.322 3.866 ( 14.790 0.548 -6.040) 15.985 4.250 ( -4.719 0.081 3.844) 6.087 4.321 ( -5.896 0.448 -3.035) 6.647 4.429 ( 4.117 -0.535 1.154) 4.309 4.459 ( 3.937 -0.670 -1.941) 4.440 4.503 ( 5.021 -0.387 4.207) 6.562 4.598 ( 2.711 -0.634 -4.982) 5.707 4.728 ( -1.177 -0.126 6.288) 6.399 4.856 ( -0.632 0.610 -6.525) 6.584 5.276 ( 0.876 0.656 1.411) 1.786 5.287 ( 0.703 -0.202 0.387) 0.828 5.397 ( -3.173 0.029 3.488) 4.716 5.474 ( -2.470 0.127 -3.605) 4.372 5.567 ( 1.347 0.999 1.678) 2.372 5.581 ( 2.015 0.221 0.041) 2.027 5.617 ( -1.360 0.286 1.143) 1.799 5.635 ( -0.150 0.043 -0.917) 0.930 5.853 ( 0.255 1.222 4.053) 4.241 5.928 ( -0.823 1.936 -3.486) 4.072 ======================= Grid point 367 (109/147) ======================= q-point: ( 0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 4.120 0.165 0.586) 4.165 1.856 ( 4.769 -0.415 -0.087) 4.788 2.036 ( 6.398 2.281 3.612) 7.694 2.070 ( 6.216 1.545 1.135) 6.504 2.127 ( 0.498 -1.851 1.915) 2.709 2.165 ( -1.481 -1.264 -1.514) 2.466 2.284 ( -0.532 4.149 6.082) 7.381 2.337 ( -1.493 0.374 0.698) 1.690 2.364 ( 0.505 -0.250 0.409) 0.697 2.437 ( 3.102 3.212 -3.181) 5.482 2.704 ( 1.089 2.648 8.265) 8.747 2.787 ( 6.345 0.736 3.821) 7.443 2.889 ( -0.836 0.809 -5.929) 6.042 2.964 ( 0.273 -0.297 -14.472) 14.477 3.209 ( -6.986 -5.797 1.279) 9.167 3.229 ( -6.641 -4.656 -0.828) 8.152 4.058 ( 7.789 0.728 1.644) 7.993 4.085 ( 4.135 0.408 -1.178) 4.319 4.217 ( 6.231 -0.498 2.648) 6.789 4.275 ( 4.460 0.846 -3.113) 5.504 4.491 ( 2.033 -0.599 1.150) 2.411 4.517 ( 1.618 -0.451 -1.527) 2.270 4.590 ( 3.884 -0.338 4.006) 5.590 4.665 ( 3.529 -0.919 -3.541) 5.083 4.726 ( 0.262 -0.714 5.033) 5.090 4.837 ( -1.349 0.117 -5.925) 6.077 5.296 ( 1.419 0.090 2.281) 2.688 5.306 ( 1.081 -0.435 0.543) 1.286 5.350 ( -1.678 -0.582 3.366) 3.806 5.438 ( -1.298 -0.312 -3.844) 4.070 5.555 ( -1.212 1.783 1.524) 2.640 5.570 ( -1.712 1.748 -0.230) 2.458 5.616 ( 0.100 -0.636 1.666) 1.786 5.644 ( 0.317 -0.141 -1.358) 1.401 5.839 ( -0.744 1.620 2.932) 3.431 5.893 ( -1.335 2.168 -2.609) 3.646 ======================= Grid point 368 (110/147) ======================= q-point: ( 0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -0.602 -0.336 2.240) 2.343 1.901 ( 0.231 -0.345 -2.273) 2.311 2.074 ( -1.878 3.153 2.323) 4.343 2.107 ( -1.212 2.092 0.269) 2.432 2.152 ( 2.003 -0.489 0.774) 2.202 2.154 ( 1.119 -0.042 0.410) 1.193 2.298 ( 2.197 0.763 7.335) 7.695 2.329 ( 0.669 -0.345 1.180) 1.399 2.350 ( -1.718 -0.767 3.138) 3.658 2.452 ( 0.007 1.667 -0.898) 1.893 2.721 ( 0.135 -0.908 3.769) 3.879 2.912 ( 3.465 1.960 -8.052) 8.983 2.947 ( 6.872 1.967 -0.212) 7.151 2.979 ( 2.442 1.326 -8.401) 8.849 3.094 ( -5.628 -4.834 0.839) 7.466 3.111 ( -6.555 -4.313 -0.693) 7.877 4.069 ( -0.975 1.070 0.664) 1.593 4.077 ( -1.090 0.267 -0.180) 1.137 4.392 ( 5.657 0.900 1.496) 5.920 4.429 ( 7.394 0.291 -2.115) 7.697 4.508 ( -0.822 -0.288 0.543) 1.026 4.519 ( -1.217 0.129 -0.622) 1.372 4.656 ( 2.269 -0.415 4.346) 4.920 4.723 ( 1.641 -0.178 -0.186) 1.661 4.754 ( 2.214 -1.559 -0.368) 2.733 4.809 ( -1.168 -0.505 -4.002) 4.200 5.313 ( 0.117 -0.143 6.726) 6.728 5.340 ( 2.115 -0.748 0.394) 2.278 5.352 ( 1.476 -1.018 -0.142) 1.799 5.422 ( -0.776 0.061 -3.475) 3.561 5.511 ( -2.233 1.579 0.442) 2.770 5.518 ( -2.253 1.461 -0.100) 2.687 5.614 ( -0.341 -0.501 1.548) 1.663 5.639 ( -0.650 -0.026 -1.136) 1.308 5.813 ( -1.031 0.833 2.245) 2.607 5.857 ( -1.338 1.056 -2.210) 2.791 ======================= Grid point 369 (111/147) ======================= q-point: (-0.54 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 0.778 0.104 2.106) 2.248 1.899 ( -0.523 -0.592 -1.391) 1.600 2.023 ( -1.928 -0.603 2.269) 3.038 2.068 ( -1.272 -0.523 -1.312) 1.900 2.147 ( -2.177 -1.054 0.755) 2.534 2.153 ( -2.597 -0.513 0.141) 2.652 2.296 ( -2.096 0.340 8.450) 8.712 2.332 ( -0.477 0.196 0.806) 0.957 2.356 ( 1.463 -0.032 3.389) 3.691 2.446 ( -0.209 0.614 -0.413) 0.769 2.728 ( 0.016 -0.894 3.089) 3.216 2.853 ( -7.640 -1.654 0.129) 7.818 2.907 ( -7.075 -1.524 -1.897) 7.482 2.962 ( -0.189 -0.306 -14.943) 14.947 3.180 ( 9.495 1.670 1.458) 9.751 3.203 ( 10.523 3.425 -0.794) 11.095 4.060 ( 0.456 0.490 0.882) 1.107 4.073 ( 0.899 0.062 -0.496) 1.029 4.375 ( -6.336 -0.542 1.060) 6.447 4.407 ( -8.535 -1.346 -2.071) 8.885 4.515 ( 0.807 0.204 0.067) 0.835 4.517 ( 0.805 0.001 -0.088) 0.809 4.670 ( -0.782 0.727 4.365) 4.493 4.734 ( -0.486 0.830 0.077) 0.965 4.781 ( -0.452 0.370 -1.272) 1.400 4.819 ( 1.669 0.361 -2.982) 3.437 5.315 ( 0.015 -0.006 6.870) 6.870 5.366 ( -1.027 1.231 0.372) 1.646 5.377 ( -0.146 0.998 0.208) 1.029 5.413 ( 1.119 -0.503 -2.444) 2.735 5.481 ( 0.420 -1.152 -0.182) 1.239 5.491 ( 0.149 -0.428 -0.826) 0.942 5.615 ( 0.117 -0.414 1.094) 1.175 5.631 ( -0.078 -0.638 -0.757) 0.993 5.793 ( -1.028 -0.796 1.961) 2.354 5.832 ( -1.176 -0.928 -2.028) 2.521 ======================= Grid point 370 (112/147) ======================= q-point: (-0.46 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -3.867 -0.106 1.144) 4.034 1.863 ( -3.779 -0.021 -0.705) 3.844 1.971 ( -7.540 -2.971 3.635) 8.882 2.017 ( -7.393 -2.438 -0.435) 7.797 2.112 ( 0.179 -5.174 1.538) 5.401 2.130 ( -1.686 -3.553 -0.384) 3.952 2.257 ( 0.586 2.840 6.297) 6.933 2.317 ( -0.823 -0.146 -0.237) 0.869 2.370 ( 0.159 0.106 0.923) 0.942 2.411 ( -2.849 1.147 -1.730) 3.525 2.686 ( -3.165 0.656 8.024) 8.650 2.770 ( -1.754 -0.315 4.142) 4.509 2.850 ( 0.745 -1.651 -5.266) 5.569 2.967 ( 0.315 -0.057 -15.279) 15.282 3.335 ( 7.266 3.839 1.336) 8.326 3.360 ( 7.971 5.518 -1.232) 9.773 4.038 ( -5.945 -0.639 1.917) 6.279 4.074 ( -5.290 -0.637 -1.795) 5.623 4.218 ( -6.765 -0.549 1.262) 6.904 4.255 ( -3.026 -0.725 -2.429) 3.947 4.503 ( -1.804 0.121 1.011) 2.072 4.518 ( -1.045 -0.375 -0.514) 1.224 4.616 ( -3.459 2.013 4.444) 5.980 4.698 ( -2.630 1.790 -2.806) 4.242 4.753 ( -1.259 1.316 2.807) 3.346 4.835 ( 0.075 -0.027 -4.491) 4.492 5.298 ( -1.877 0.341 3.733) 4.193 5.319 ( -2.067 0.727 -0.046) 2.191 5.368 ( 0.857 0.837 3.252) 3.466 5.444 ( 1.395 0.003 -2.636) 2.982 5.512 ( 1.006 -1.746 0.277) 2.034 5.521 ( 1.334 -2.178 -0.872) 2.699 5.621 ( 0.273 -0.137 1.218) 1.255 5.639 ( 0.108 -0.494 -0.764) 0.916 5.788 ( -0.287 -2.441 1.985) 3.159 5.826 ( -0.510 -3.120 -1.942) 3.711 ======================= Grid point 371 (113/147) ======================= q-point: (-0.38 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -14.267 0.759 2.043) 14.432 1.710 ( -10.208 1.157 -0.196) 10.276 1.805 ( -10.618 -3.214 3.043) 11.503 1.847 ( -10.628 -2.646 0.609) 10.969 2.076 ( -4.863 -4.166 2.680) 6.941 2.138 ( -3.124 -6.523 -1.725) 7.435 2.270 ( -0.308 0.934 0.912) 1.341 2.316 ( 0.184 -1.834 -2.138) 2.823 2.391 ( 2.592 2.289 0.759) 3.540 2.400 ( 4.381 1.354 0.093) 4.586 2.650 ( -1.068 -0.429 10.705) 10.767 2.769 ( 1.223 0.984 4.369) 4.642 2.872 ( -1.152 -2.312 -5.139) 5.752 2.970 ( 0.065 0.396 -12.863) 12.869 3.399 ( 2.211 6.111 1.449) 6.658 3.434 ( 3.198 6.384 -1.953) 7.402 3.786 ( -17.074 1.355 1.711) 17.213 3.838 ( -14.617 -1.859 -3.329) 15.106 4.247 ( 4.910 -0.202 3.139) 5.831 4.306 ( 5.741 -0.741 -2.641) 6.362 4.444 ( -4.320 0.360 1.587) 4.616 4.474 ( -3.779 0.297 -1.396) 4.040 4.531 ( -4.117 2.158 4.322) 6.348 4.628 ( -2.906 2.086 -4.830) 6.010 4.734 ( 0.354 0.331 4.533) 4.559 4.831 ( -0.483 -1.405 -4.972) 5.189 5.261 ( -1.590 -0.433 2.276) 2.810 5.286 ( -1.137 -0.197 -0.599) 1.300 5.398 ( 2.128 0.047 4.344) 4.838 5.464 ( 0.221 -0.845 -1.751) 1.957 5.536 ( 0.383 -2.098 0.926) 2.325 5.550 ( 0.583 -1.478 -1.067) 1.914 5.621 ( -0.111 0.350 0.841) 0.918 5.634 ( -0.534 0.091 -0.733) 0.911 5.805 ( 0.229 -2.621 2.388) 3.554 5.851 ( 0.685 -4.244 -2.285) 4.868 ======================= Grid point 372 (114/147) ======================= q-point: (-0.31 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -18.988 0.133 3.832) 19.372 1.443 ( -15.651 1.957 -4.462) 16.391 1.604 ( -10.835 -0.306 5.466) 12.140 1.649 ( -10.665 0.321 1.105) 10.727 2.016 ( -4.049 -4.459 1.696) 6.257 2.080 ( -4.314 -2.478 -3.712) 6.208 2.248 ( -4.177 -2.514 4.041) 6.332 2.319 ( -1.864 -2.553 -1.968) 3.723 2.419 ( -0.138 1.394 2.235) 2.638 2.460 ( 0.506 0.938 -2.329) 2.561 2.624 ( -1.263 0.435 10.525) 10.610 2.795 ( 0.713 -0.369 6.937) 6.984 2.815 ( -3.707 -1.017 -7.312) 8.261 2.968 ( 0.130 -0.230 -10.676) 10.679 3.343 ( -4.873 4.612 3.543) 7.588 3.427 ( 0.678 6.583 -2.426) 7.048 3.483 ( -12.357 0.749 1.915) 12.527 3.600 ( -9.075 0.217 -7.103) 11.527 4.325 ( -4.270 0.399 2.034) 4.746 4.333 ( -2.397 0.434 3.082) 3.928 4.361 ( -5.866 1.279 0.017) 6.004 4.407 ( -1.412 0.707 -2.707) 3.133 4.466 ( 3.475 -0.249 4.056) 5.347 4.579 ( -0.635 0.240 -6.088) 6.126 4.779 ( 4.060 -0.496 2.913) 5.021 4.849 ( 1.537 -2.233 -3.988) 4.822 5.247 ( -0.297 -0.922 2.110) 2.321 5.278 ( 0.111 -0.265 -0.838) 0.886 5.431 ( 0.346 -1.228 2.415) 2.731 5.447 ( -2.836 -1.739 0.438) 3.355 5.545 ( 0.032 -0.330 0.819) 0.884 5.568 ( 0.832 0.445 -1.252) 1.568 5.631 ( 1.346 -1.135 0.814) 1.940 5.641 ( 1.573 -0.910 0.058) 1.818 5.820 ( 0.114 -1.276 3.493) 3.720 5.891 ( 1.136 -3.075 -3.596) 4.866 ======================= Grid point 373 (115/147) ======================= q-point: (-0.23 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -17.437 1.723 6.102) 18.554 1.119 ( -15.418 3.847 -5.463) 16.803 1.402 ( -9.965 2.540 3.194) 10.768 1.437 ( -9.838 3.083 -0.903) 10.349 1.943 ( -8.575 -0.768 8.721) 12.254 2.011 ( -4.567 -2.135 -0.756) 5.098 2.080 ( -10.037 0.695 3.058) 10.516 2.217 ( -10.512 -1.217 -6.270) 12.300 2.370 ( -3.824 -4.062 5.168) 7.605 2.441 ( -1.032 -2.859 -2.412) 3.880 2.620 ( 1.240 3.291 7.116) 7.937 2.738 ( -1.183 -1.110 -1.769) 2.400 2.878 ( 4.751 -1.367 1.320) 5.117 2.994 ( 1.708 -2.601 -8.326) 8.889 3.204 ( -6.966 0.359 2.790) 7.513 3.277 ( -9.055 0.326 -3.269) 9.633 3.408 ( 1.053 6.045 0.951) 6.209 3.501 ( -1.164 3.607 -6.160) 7.233 4.145 ( -10.752 0.548 2.418) 11.034 4.178 ( -9.301 0.777 -0.766) 9.365 4.314 ( -3.913 0.632 0.262) 3.972 4.323 ( -4.437 0.363 -0.851) 4.533 4.581 ( 4.993 -1.413 2.023) 5.569 4.630 ( 4.597 -1.946 -3.061) 5.856 4.873 ( 4.303 -2.087 1.429) 4.991 4.916 ( 3.927 -1.721 -2.665) 5.048 5.255 ( 0.545 -0.428 2.033) 2.148 5.290 ( 0.986 0.194 -1.117) 1.502 5.389 ( -3.346 -0.638 1.595) 3.761 5.414 ( -2.224 -0.400 -0.685) 2.361 5.553 ( 0.204 -0.649 0.832) 1.075 5.568 ( -1.178 -2.103 -0.218) 2.420 5.680 ( 2.572 -0.928 1.656) 3.197 5.701 ( 3.698 -0.039 0.116) 3.700 5.827 ( 0.617 0.546 4.855) 4.924 5.929 ( 1.692 -0.747 -5.069) 5.395 ======================= Grid point 374 (116/147) ======================= q-point: (-0.15 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -8.661 7.134 8.944) 14.349 0.850 ( -7.496 6.495 -2.488) 10.226 1.146 ( -13.970 6.350 1.130) 15.387 1.269 ( -5.790 3.492 -8.221) 10.644 1.652 ( -13.503 4.420 22.595) 26.691 1.950 ( -3.161 -1.543 2.191) 4.144 1.982 ( -4.273 -1.589 -4.082) 6.119 2.010 ( -8.012 0.228 -10.113) 12.904 2.346 ( -2.107 -8.236 8.395) 11.948 2.468 ( 0.497 -7.174 -3.802) 8.135 2.629 ( 1.648 2.932 7.301) 8.039 2.767 ( 2.773 -0.653 -3.162) 4.256 2.977 ( 3.656 -1.678 0.254) 4.030 3.037 ( -1.836 -3.785 -4.553) 6.199 3.082 ( -3.637 0.266 1.476) 3.934 3.147 ( -2.966 1.150 -5.789) 6.605 3.396 ( 1.158 6.028 2.152) 6.505 3.480 ( 0.687 3.953 -5.380) 6.712 3.948 ( -8.404 0.287 2.491) 8.770 3.999 ( -8.323 0.116 -2.605) 8.722 4.226 ( -4.326 -0.831 0.710) 4.462 4.252 ( -2.833 -0.909 -1.617) 3.386 4.662 ( 2.439 -2.022 3.593) 4.790 4.727 ( 3.508 -2.112 -2.748) 4.932 4.954 ( 2.324 -3.547 2.258) 4.804 5.001 ( 3.454 -1.253 -2.312) 4.341 5.267 ( 0.612 0.395 1.971) 2.101 5.304 ( 0.388 0.701 -1.536) 1.733 5.345 ( -0.780 0.740 1.161) 1.583 5.367 ( -2.250 1.174 -1.208) 2.811 5.550 ( -1.607 -3.747 0.617) 4.123 5.557 ( -1.296 -2.955 -0.207) 3.233 5.723 ( 1.575 0.797 2.011) 2.676 5.750 ( 1.624 2.577 -0.814) 3.153 5.850 ( 2.045 0.151 6.199) 6.529 5.968 ( 2.302 1.092 -5.703) 6.246 ======================= Grid point 375 (117/147) ======================= q-point: (-0.08 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -0.000 12.279 12.337) 17.406 0.834 ( -0.000 3.982 -13.997) 14.553 0.859 ( -0.000 6.525 17.936) 19.086 1.186 ( -0.000 3.256 -15.290) 15.633 1.496 ( -0.000 2.733 26.236) 26.377 1.904 ( 0.000 -0.163 -14.989) 14.990 1.925 ( 0.000 -1.001 2.576) 2.764 1.964 ( 0.000 -0.175 -1.512) 1.522 2.377 ( 0.000 -7.626 10.366) 12.869 2.522 ( 0.000 -7.827 -3.502) 8.575 2.637 ( -0.000 1.907 7.113) 7.364 2.815 ( 0.000 -0.193 -5.809) 5.812 2.973 ( 0.000 -0.559 1.588) 1.684 3.005 ( 0.000 -0.801 -1.575) 1.767 3.091 ( 0.000 -1.187 -1.585) 1.980 3.135 ( -0.000 0.940 -7.253) 7.313 3.377 ( -0.000 4.518 3.383) 5.645 3.467 ( -0.000 3.151 -5.314) 6.178 3.858 ( -0.000 0.109 2.183) 2.186 3.905 ( 0.000 -0.099 -2.552) 2.554 4.186 ( 0.000 -1.141 2.553) 2.796 4.231 ( 0.000 -1.155 -2.009) 2.318 4.697 ( 0.000 -1.832 4.202) 4.584 4.774 ( 0.000 -1.782 -3.299) 3.750 4.998 ( 0.000 -3.157 2.578) 4.076 5.044 ( 0.000 -0.917 -1.935) 2.141 5.271 ( -0.000 0.146 1.426) 1.433 5.303 ( -0.000 2.022 -1.717) 2.652 5.329 ( -0.000 0.586 0.528) 0.789 5.341 ( -0.000 0.667 -0.658) 0.936 5.553 ( 0.000 -3.772 0.416) 3.795 5.559 ( 0.000 -2.959 -0.355) 2.980 5.730 ( -0.000 1.670 1.439) 2.205 5.744 ( -0.000 3.339 -0.254) 3.348 5.877 ( 0.000 -0.342 5.643) 5.653 5.988 ( -0.000 1.323 -5.516) 5.672 ======================= Grid point 378 (118/147) ======================= q-point: ( 0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 11.950 0.000 0.526) 11.962 1.685 ( 12.850 0.000 -0.002) 12.850 1.899 ( 13.169 0.000 2.983) 13.503 1.904 ( 11.531 0.000 4.620) 12.423 2.107 ( 0.296 0.000 -2.054) 2.076 2.123 ( 1.539 0.000 -2.303) 2.770 2.340 ( -0.532 -0.000 0.173) 0.560 2.350 ( 0.741 0.000 -0.838) 1.119 2.373 ( -1.779 -0.000 6.161) 6.413 2.474 ( -1.807 -0.000 -2.771) 3.308 2.707 ( 0.843 0.000 8.911) 8.951 2.751 ( 1.773 0.000 8.416) 8.601 2.906 ( 0.391 0.000 -7.279) 7.290 2.945 ( 0.086 0.000 -14.541) 14.541 3.255 ( -3.535 -0.000 1.019) 3.679 3.268 ( -2.205 -0.000 -0.373) 2.237 3.751 ( 17.664 0.000 5.485) 18.496 3.869 ( 14.779 0.000 -6.436) 16.120 4.251 ( -4.685 -0.000 3.971) 6.141 4.324 ( -5.914 -0.000 -3.112) 6.683 4.426 ( 4.128 0.000 1.041) 4.257 4.455 ( 3.867 0.000 -1.973) 4.342 4.501 ( 5.231 0.000 4.120) 6.659 4.594 ( 2.691 0.000 -4.933) 5.619 4.728 ( -1.273 -0.000 6.529) 6.652 4.860 ( -0.757 -0.000 -6.736) 6.779 5.281 ( 0.745 0.000 0.604) 0.959 5.284 ( 0.670 0.000 1.209) 1.382 5.397 ( -3.362 -0.000 3.353) 4.748 5.475 ( -2.819 -0.000 -3.761) 4.700 5.575 ( 1.762 0.000 1.616) 2.391 5.579 ( 2.469 0.000 0.554) 2.530 5.620 ( -1.643 -0.000 0.921) 1.883 5.635 ( -0.394 -0.000 -0.969) 1.046 5.860 ( 0.316 0.000 4.300) 4.312 5.939 ( -0.859 -0.000 -3.661) 3.761 ======================= Grid point 379 (119/147) ======================= q-point: ( 0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 5.154 0.077 0.326) 5.164 1.852 ( 4.065 -0.198 0.279) 4.080 2.059 ( 5.440 1.727 3.379) 6.633 2.076 ( 5.524 -0.636 3.936) 6.813 2.113 ( 1.553 -0.376 -0.264) 1.620 2.151 ( 0.427 -0.764 -1.737) 1.945 2.321 ( -1.793 1.871 5.732) 6.290 2.337 ( -1.307 -0.234 1.164) 1.766 2.361 ( -0.362 -0.221 0.830) 0.932 2.469 ( 2.613 1.778 -3.693) 4.861 2.737 ( -0.791 2.211 7.601) 7.955 2.793 ( 7.532 0.275 3.772) 8.428 2.888 ( 0.068 -0.707 -5.326) 5.373 2.962 ( 0.468 -0.056 -14.284) 14.291 3.161 ( -6.838 -2.210 1.482) 7.337 3.188 ( -6.599 -2.029 -1.305) 7.026 4.063 ( 8.827 0.213 1.289) 8.924 4.090 ( 4.262 0.240 -1.321) 4.469 4.212 ( 5.477 -0.302 3.694) 6.613 4.282 ( 4.772 0.341 -3.396) 5.867 4.486 ( 2.153 -0.186 0.908) 2.344 4.512 ( 1.942 -0.299 -1.775) 2.648 4.588 ( 3.803 -0.060 3.826) 5.396 4.658 ( 3.548 -0.307 -3.234) 4.811 4.721 ( 0.068 -0.222 5.355) 5.360 4.838 ( -1.705 0.058 -6.294) 6.521 5.298 ( 1.173 0.185 1.166) 1.665 5.302 ( 0.966 -0.291 1.450) 1.767 5.345 ( -1.877 -0.209 3.362) 3.856 5.435 ( -1.269 -0.129 -3.945) 4.146 5.572 ( -1.246 1.009 1.689) 2.329 5.585 ( -1.845 0.677 0.154) 1.971 5.608 ( 0.222 -0.545 1.745) 1.842 5.641 ( 0.347 -0.168 -1.725) 1.768 5.852 ( -0.975 0.585 3.186) 3.383 5.911 ( -1.749 0.784 -2.796) 3.390 ======================= Grid point 380 (120/147) ======================= q-point: ( 0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.784 -0.156 2.134) 2.279 1.897 ( 0.009 -0.300 -2.249) 2.269 2.107 ( -1.533 2.411 1.795) 3.374 2.128 ( -1.331 1.558 0.565) 2.125 2.143 ( 1.733 -0.989 1.100) 2.279 2.155 ( 0.976 0.072 1.173) 1.528 2.309 ( 1.072 0.934 6.949) 7.093 2.324 ( 0.538 -0.550 2.727) 2.833 2.340 ( -1.262 -0.883 1.470) 2.129 2.478 ( -0.810 2.372 -3.189) 4.056 2.707 ( -1.340 -1.340 6.048) 6.338 2.927 ( 1.113 0.786 -11.547) 11.627 2.971 ( 4.806 2.246 0.670) 5.347 2.997 ( 4.978 1.714 -4.562) 6.966 3.045 ( -2.049 -3.622 0.010) 4.161 3.060 ( -5.444 -4.025 -1.234) 6.882 4.079 ( -1.067 0.277 0.167) 1.115 4.082 ( -1.127 0.806 -0.140) 1.393 4.403 ( 5.793 1.061 1.263) 6.023 4.427 ( 6.401 -0.621 -0.973) 6.505 4.506 ( -0.250 -0.013 0.552) 0.607 4.520 ( -1.047 0.062 -0.868) 1.362 4.652 ( 2.582 -0.207 4.018) 4.780 4.722 ( 2.306 0.064 -1.046) 2.533 4.738 ( 2.182 -1.125 0.847) 2.597 4.803 ( -1.124 -0.361 -4.391) 4.547 5.312 ( 0.018 -0.099 6.795) 6.796 5.334 ( 2.350 -0.263 0.119) 2.368 5.342 ( 1.633 -0.695 -0.138) 1.780 5.421 ( -0.536 -0.067 -3.780) 3.819 5.529 ( -2.749 1.341 0.638) 3.124 5.533 ( -2.660 0.994 0.280) 2.853 5.607 ( -0.397 -0.670 1.743) 1.909 5.638 ( -0.752 -0.195 -1.437) 1.633 5.821 ( -1.735 0.494 2.374) 2.982 5.867 ( -2.203 0.638 -2.303) 3.250 ======================= Grid point 381 (121/147) ======================= q-point: (-0.62 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 1.178 -0.262 1.770) 2.142 1.891 ( -0.856 -0.762 -1.168) 1.636 2.027 ( -3.960 1.360 2.136) 4.700 2.071 ( -2.958 0.848 -1.737) 3.533 2.128 ( -3.865 -2.184 1.305) 4.627 2.145 ( -3.168 -0.854 0.143) 3.284 2.300 ( -0.992 0.329 9.667) 9.724 2.333 ( -0.077 -0.143 2.083) 2.089 2.358 ( 1.189 0.373 0.861) 1.514 2.455 ( -0.329 0.905 -1.809) 2.049 2.707 ( 0.103 -2.305 5.243) 5.728 2.848 ( -6.499 0.622 0.502) 6.548 2.891 ( -6.296 -1.269 -2.037) 6.738 2.960 ( -0.119 -0.136 -15.651) 15.652 3.192 ( 10.182 0.468 2.440) 10.481 3.233 ( 11.503 1.773 -1.669) 11.757 4.068 ( 0.280 0.793 0.209) 0.866 4.076 ( 0.768 0.335 -0.449) 0.951 4.371 ( -6.963 -0.221 0.613) 6.993 4.392 ( -8.780 -1.324 -1.427) 8.993 4.517 ( 0.507 0.092 0.087) 0.523 4.518 ( 0.316 0.109 0.081) 0.344 4.678 ( -0.009 0.570 4.142) 4.181 4.745 ( 0.225 1.054 -0.049) 1.079 4.780 ( 0.510 -0.535 -1.000) 1.244 4.822 ( 2.047 0.254 -2.917) 3.573 5.315 ( 0.187 -0.101 6.991) 6.994 5.377 ( 1.092 0.649 0.506) 1.367 5.388 ( 0.441 0.988 0.007) 1.082 5.409 ( 0.712 -0.240 -2.459) 2.571 5.469 ( -1.567 -0.887 0.379) 1.840 5.490 ( -1.037 0.066 -1.195) 1.584 5.609 ( 0.252 -0.611 0.911) 1.125 5.624 ( -0.553 -0.547 -0.774) 1.097 5.785 ( -1.893 -0.516 1.884) 2.720 5.824 ( -2.223 -0.575 -1.990) 3.038 ======================= Grid point 382 (122/147) ======================= q-point: (-0.54 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -4.119 -0.073 1.288) 4.317 1.859 ( -3.085 -0.767 0.056) 3.179 1.943 ( -7.840 -1.790 3.404) 8.732 1.993 ( -7.803 -1.538 -1.384) 8.073 2.052 ( -3.523 -4.896 2.111) 6.390 2.083 ( -3.420 -4.237 -1.201) 5.576 2.292 ( 1.920 2.961 5.952) 6.919 2.318 ( -1.183 0.184 0.979) 1.546 2.368 ( 0.143 -0.391 1.138) 1.211 2.434 ( -0.800 2.443 -2.274) 3.432 2.693 ( -2.738 0.273 8.317) 8.760 2.772 ( -0.072 0.816 3.337) 3.436 2.836 ( -0.015 -0.622 -4.035) 4.083 2.966 ( 0.449 -0.134 -15.783) 15.790 3.369 ( 8.274 2.014 2.238) 8.805 3.413 ( 8.336 3.491 -2.093) 9.276 4.034 ( -6.586 0.012 1.179) 6.690 4.066 ( -6.271 -0.758 -2.035) 6.636 4.210 ( -5.620 -0.806 1.495) 5.871 4.248 ( -2.613 -0.470 -2.415) 3.589 4.502 ( -1.851 -0.154 0.839) 2.038 4.513 ( -1.085 -0.486 -0.220) 1.209 4.641 ( -2.787 2.109 4.476) 5.679 4.719 ( -1.928 1.932 -1.841) 3.292 4.765 ( -1.527 0.733 1.640) 2.358 4.835 ( -0.574 0.102 -3.900) 3.943 5.304 ( -1.737 0.591 4.163) 4.550 5.328 ( -2.880 0.824 -0.129) 2.998 5.376 ( 0.059 0.502 3.337) 3.375 5.442 ( 1.267 -0.338 -0.963) 1.627 5.493 ( 0.407 -1.548 -0.681) 1.739 5.498 ( 1.802 -1.557 -1.790) 2.979 5.619 ( 0.521 -0.322 0.943) 1.124 5.633 ( 0.739 -0.593 -0.611) 1.128 5.761 ( -1.017 -2.062 1.600) 2.802 5.794 ( -1.588 -2.429 -1.685) 3.356 ======================= Grid point 383 (123/147) ======================= q-point: (-0.46 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -14.717 0.238 3.113) 15.045 1.724 ( -9.457 1.256 -0.157) 9.541 1.776 ( -8.541 -1.676 2.373) 9.022 1.818 ( -9.491 -2.297 -0.478) 9.776 2.010 ( -5.212 -6.734 2.950) 9.012 2.053 ( -3.119 -7.250 -0.325) 7.899 2.281 ( -2.546 0.663 -0.207) 2.639 2.301 ( -0.929 -0.951 -1.431) 1.954 2.421 ( 5.263 2.838 1.120) 6.084 2.434 ( 3.523 3.963 -0.255) 5.309 2.652 ( -1.182 0.716 10.529) 10.620 2.781 ( 0.749 1.011 3.223) 3.460 2.844 ( -1.480 -2.502 -3.522) 4.567 2.973 ( 0.202 0.167 -13.424) 13.427 3.465 ( 3.321 5.159 1.210) 6.254 3.501 ( 3.319 5.072 -2.159) 6.435 3.799 ( -16.881 0.713 -0.372) 16.900 3.815 ( -14.166 -1.971 -1.500) 14.381 4.244 ( 4.978 -0.227 2.789) 5.711 4.298 ( 5.511 -0.636 -2.488) 6.080 4.445 ( -4.256 -0.010 1.615) 4.552 4.474 ( -3.454 -0.225 -1.229) 3.673 4.559 ( -4.170 2.656 4.473) 6.667 4.656 ( -3.053 2.608 -4.338) 5.911 4.738 ( -0.260 0.225 3.292) 3.310 4.814 ( -1.420 -1.462 -3.900) 4.401 5.259 ( -1.955 0.081 2.237) 2.973 5.284 ( -1.471 -0.211 -0.715) 1.650 5.397 ( 1.563 -0.323 5.107) 5.351 5.453 ( -0.610 -1.064 -0.373) 1.282 5.507 ( -0.105 -2.672 0.719) 2.769 5.538 ( 1.970 -0.635 -2.418) 3.182 5.624 ( -0.340 0.145 0.778) 0.862 5.637 ( -0.384 0.536 -0.792) 1.030 5.775 ( 0.653 -2.531 1.342) 2.938 5.801 ( 0.658 -4.168 -1.478) 4.471 ======================= Grid point 384 (124/147) ======================= q-point: (-0.38 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -17.399 2.112 4.419) 18.076 1.466 ( -14.965 1.996 -4.983) 15.898 1.606 ( -9.106 0.600 5.923) 10.879 1.657 ( -8.356 1.041 1.254) 8.514 1.952 ( -4.443 -6.417 2.728) 8.268 2.030 ( -3.610 -6.022 -3.446) 7.821 2.227 ( -3.520 -1.074 2.473) 4.434 2.289 ( -1.966 -2.525 -2.440) 4.024 2.438 ( -1.747 2.082 2.779) 3.887 2.480 ( -0.967 2.112 -1.978) 3.051 2.631 ( 0.168 0.773 9.463) 9.496 2.786 ( -2.170 -1.144 6.352) 6.809 2.799 ( -1.079 -1.552 -5.962) 6.255 2.969 ( -0.440 0.264 -11.000) 11.012 3.399 ( -7.964 4.853 3.227) 9.868 3.487 ( -10.522 1.033 5.017) 11.703 3.504 ( -2.203 5.308 -6.705) 8.831 3.607 ( -5.658 1.060 -6.368) 8.584 4.330 ( -3.655 0.331 2.212) 4.285 4.339 ( -2.194 0.532 2.999) 3.754 4.373 ( -5.463 0.773 -0.355) 5.529 4.411 ( 1.623 0.086 -2.995) 3.408 4.466 ( -0.619 0.196 4.971) 5.013 4.583 ( -2.705 0.443 -5.898) 6.504 4.772 ( 3.481 -0.592 1.764) 3.947 4.821 ( 1.216 -2.626 -2.754) 3.995 5.239 ( -0.186 -0.429 2.219) 2.267 5.274 ( 0.258 -0.335 -1.257) 1.326 5.415 ( -0.852 -1.481 2.824) 3.300 5.433 ( -1.660 -0.811 0.436) 1.898 5.533 ( 1.393 -1.681 2.513) 3.329 5.573 ( 0.415 0.463 -1.109) 1.272 5.617 ( -0.082 -1.284 0.437) 1.359 5.630 ( 1.110 -0.906 -0.789) 1.636 5.806 ( 1.402 -1.116 2.245) 2.872 5.856 ( 2.440 -2.916 -2.756) 4.696 ======================= Grid point 385 (125/147) ======================= q-point: (-0.31 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -13.815 5.831 5.999) 16.150 1.166 ( -13.447 4.348 -5.969) 15.341 1.435 ( -7.377 2.953 5.131) 9.459 1.479 ( -8.584 4.208 0.122) 9.561 1.910 ( -4.246 -4.684 4.997) 8.058 1.979 ( -4.899 -3.409 -1.791) 6.232 2.095 ( -10.219 1.679 3.301) 10.870 2.202 ( -9.575 -1.324 -4.798) 10.791 2.325 ( -7.024 -3.578 5.990) 9.900 2.413 ( -4.059 -2.144 -3.128) 5.555 2.652 ( 1.947 1.817 6.568) 7.087 2.729 ( -1.509 -0.213 2.315) 2.772 2.859 ( 4.159 -1.907 -1.456) 4.801 2.968 ( 0.449 -1.583 -8.154) 8.318 3.207 ( -8.530 0.143 2.594) 8.916 3.276 ( -9.143 -0.277 -2.545) 9.494 3.480 ( 1.189 6.001 -1.062) 6.210 3.551 ( 0.158 4.923 -6.179) 7.902 4.152 ( -10.716 0.796 2.544) 11.043 4.187 ( -9.614 0.746 -0.715) 9.669 4.320 ( -4.971 0.436 0.147) 4.992 4.326 ( -5.371 0.118 -0.583) 5.404 4.561 ( 4.382 -1.861 1.885) 5.120 4.604 ( 4.031 -2.353 -2.266) 5.189 4.847 ( 2.880 -2.409 1.520) 4.051 4.893 ( 4.362 -2.065 -2.826) 5.593 5.252 ( 1.222 -0.018 2.148) 2.471 5.292 ( 1.377 0.192 -1.549) 2.081 5.382 ( -2.283 -0.513 2.064) 3.120 5.409 ( -1.432 -0.475 -0.450) 1.574 5.544 ( -1.526 -1.604 0.640) 2.305 5.546 ( -2.248 -0.846 -0.074) 2.404 5.663 ( 3.379 -2.053 2.495) 4.675 5.695 ( 3.950 -0.861 0.381) 4.061 5.838 ( 1.849 1.224 3.435) 4.088 5.921 ( 3.189 -0.562 -4.492) 5.538 ======================= Grid point 386 (126/147) ======================= q-point: (-0.23 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.821 ( -2.461 11.709 6.616) 13.672 0.932 ( -6.230 7.567 -3.041) 10.263 1.235 ( -11.651 8.739 2.056) 14.709 1.316 ( -4.524 4.486 -4.431) 7.761 1.707 ( -13.226 4.663 17.519) 22.441 1.925 ( -2.285 -2.889 1.653) 4.037 1.960 ( -5.036 -1.983 -3.580) 6.489 2.010 ( -7.440 -0.365 -7.383) 10.488 2.249 ( -4.126 -7.835 8.077) 11.985 2.385 ( -1.409 -6.812 -5.517) 8.878 2.665 ( 1.136 3.262 7.245) 8.026 2.751 ( 2.485 -2.002 0.729) 3.273 2.953 ( 3.564 -2.389 -1.434) 4.524 2.995 ( -0.746 -3.404 -3.775) 5.138 3.075 ( -4.851 -1.378 1.239) 5.193 3.151 ( -3.554 -0.421 -6.302) 7.247 3.474 ( 1.666 6.954 -0.103) 7.151 3.536 ( 1.249 5.679 -5.443) 7.965 3.952 ( -8.562 0.471 2.394) 8.902 4.001 ( -8.690 0.167 -2.422) 9.022 4.213 ( -5.275 -1.450 0.814) 5.531 4.239 ( -3.718 -1.408 -1.531) 4.260 4.635 ( 2.072 -2.472 3.614) 4.844 4.699 ( 3.269 -2.689 -2.275) 4.806 4.911 ( 1.847 -3.796 3.465) 5.462 4.982 ( 3.098 -2.054 -3.273) 4.953 5.275 ( 1.191 0.988 2.203) 2.692 5.315 ( 1.149 1.216 -1.599) 2.314 5.354 ( -0.327 0.709 1.367) 1.575 5.380 ( -1.590 0.968 -1.322) 2.283 5.508 ( -2.411 -3.452 0.794) 4.285 5.520 ( -2.138 -3.174 -0.581) 3.871 5.729 ( 2.322 0.096 2.989) 3.787 5.768 ( 2.811 0.366 -0.233) 2.844 5.863 ( 1.825 2.093 5.684) 6.326 5.981 ( 2.960 1.156 -5.883) 6.687 ======================= Grid point 387 (127/147) ======================= q-point: (-0.15 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -0.000 16.688 6.021) 17.741 0.898 ( -0.000 6.856 -9.452) 11.677 0.962 ( -0.000 10.759 14.702) 18.218 1.239 ( -0.000 5.696 -13.264) 14.436 1.539 ( -0.000 4.326 23.799) 24.189 1.898 ( 0.000 -0.985 -12.204) 12.244 1.909 ( 0.000 -1.634 3.064) 3.473 1.960 ( 0.000 -0.540 -2.160) 2.227 2.266 ( 0.000 -10.475 9.770) 14.324 2.423 ( 0.000 -8.832 -6.016) 10.686 2.662 ( -0.000 2.597 7.945) 8.359 2.802 ( 0.000 -2.071 -2.872) 3.541 2.963 ( 0.000 -1.176 1.418) 1.842 2.992 ( 0.000 -1.400 -1.439) 2.007 3.067 ( 0.000 -2.996 -1.146) 3.207 3.136 ( 0.000 -0.983 -7.739) 7.801 3.450 ( -0.000 7.484 0.876) 7.535 3.519 ( -0.000 5.565 -5.638) 7.922 3.860 ( -0.000 0.211 2.030) 2.041 3.903 ( 0.000 -0.185 -2.351) 2.358 4.167 ( 0.000 -1.989 2.510) 3.202 4.212 ( 0.000 -2.039 -2.012) 2.865 4.670 ( 0.000 -2.666 4.274) 5.038 4.747 ( 0.000 -2.735 -3.060) 4.104 4.954 ( 0.000 -4.154 4.095) 5.833 5.026 ( 0.000 -2.118 -2.949) 3.631 5.279 ( -0.000 1.270 2.471) 2.779 5.329 ( -0.000 2.425 -2.498) 3.482 5.338 ( -0.000 1.032 0.591) 1.189 5.351 ( -0.000 1.131 -0.704) 1.332 5.505 ( 0.000 -4.291 0.882) 4.381 5.518 ( 0.000 -3.945 -0.658) 3.999 5.747 ( -0.000 1.168 2.668) 2.912 5.784 ( -0.000 2.834 -1.104) 3.041 5.877 ( -0.000 0.678 6.871) 6.905 6.005 ( -0.000 1.615 -6.356) 6.558 ======================= Grid point 392 (128/147) ======================= q-point: ( 0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -0.854 -0.000 2.081) 2.250 1.895 ( -0.100 -0.000 -2.197) 2.199 2.127 ( -0.739 -0.000 1.069) 1.299 2.131 ( 1.502 0.000 2.035) 2.529 2.139 ( -1.837 -0.000 -0.322) 1.865 2.155 ( 1.216 0.000 2.210) 2.522 2.317 ( 0.752 0.000 9.406) 9.436 2.318 ( -0.059 -0.000 1.060) 1.062 2.334 ( -0.763 -0.000 0.512) 0.919 2.495 ( -1.231 -0.000 -5.150) 5.295 2.697 ( -2.314 -0.000 8.179) 8.500 2.931 ( 0.654 0.000 -12.158) 12.175 3.001 ( 2.524 0.000 0.535) 2.580 3.002 ( 9.702 0.000 -0.335) 9.708 3.018 ( -2.098 -0.000 -3.481) 4.064 3.031 ( -6.014 -0.000 -1.525) 6.204 4.080 ( -1.048 -0.000 0.271) 1.082 4.087 ( -1.176 -0.000 -0.492) 1.275 4.414 ( 7.457 0.000 0.577) 7.479 4.418 ( 4.362 0.000 0.276) 4.371 4.507 ( 0.055 0.000 0.434) 0.437 4.520 ( -0.924 -0.000 -0.974) 1.342 4.651 ( 2.685 0.000 3.842) 4.688 4.723 ( 3.244 0.000 -2.942) 4.379 4.731 ( 1.414 0.000 2.882) 3.211 4.801 ( -1.133 -0.000 -4.518) 4.658 5.311 ( -0.054 -0.000 6.846) 6.846 5.333 ( 2.706 0.000 -0.086) 2.707 5.337 ( 1.422 0.000 -0.065) 1.423 5.421 ( -0.462 -0.000 -3.863) 3.891 5.537 ( -3.367 -0.000 0.447) 3.397 5.539 ( -2.414 -0.000 0.662) 2.503 5.602 ( -0.350 -0.000 1.858) 1.891 5.636 ( -0.757 -0.000 -1.596) 1.766 5.824 ( -1.987 -0.000 2.424) 3.134 5.871 ( -2.513 -0.000 -2.340) 3.434 ======================= Grid point 393 (129/147) ======================= q-point: (-0.69 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 1.292 -0.125 1.468) 1.960 1.883 ( -1.096 -0.400 -1.113) 1.612 2.050 ( -5.004 2.152 1.419) 5.629 2.080 ( -3.754 0.285 -1.636) 4.104 2.101 ( -5.022 -1.860 2.347) 5.847 2.135 ( -3.956 -0.634 0.040) 4.007 2.303 ( -0.260 0.160 10.858) 10.862 2.330 ( 0.307 -0.198 1.921) 1.955 2.362 ( 1.035 0.230 -0.247) 1.088 2.465 ( -0.744 0.537 -3.732) 3.843 2.685 ( 0.588 -1.220 7.958) 8.072 2.860 ( -6.215 1.147 0.001) 6.320 2.877 ( -4.919 -1.069 -2.152) 5.475 2.959 ( -0.142 -0.040 -15.771) 15.771 3.194 ( 10.426 0.027 3.029) 10.858 3.245 ( 11.851 0.500 -2.129) 12.051 4.074 ( 0.393 0.178 0.015) 0.431 4.081 ( 0.552 0.396 -0.791) 1.043 4.371 ( -7.554 0.258 0.074) 7.559 4.378 ( -8.761 -0.874 -0.670) 8.830 4.518 ( 0.164 0.051 0.152) 0.230 4.519 ( 0.113 0.044 0.158) 0.198 4.682 ( 0.428 0.215 3.988) 4.017 4.758 ( 0.777 1.124 -0.393) 1.422 4.771 ( 0.947 -0.997 -0.449) 1.446 4.824 ( 2.370 0.078 -2.999) 3.823 5.314 ( 0.309 -0.062 7.057) 7.064 5.381 ( 2.551 0.147 0.895) 2.707 5.397 ( 1.043 0.456 -0.836) 1.413 5.408 ( 1.063 -0.015 -2.503) 2.720 5.461 ( -3.843 -0.367 1.118) 4.020 5.491 ( -1.875 0.102 -1.328) 2.300 5.603 ( 0.431 -0.311 0.854) 1.006 5.620 ( -0.795 -0.201 -0.871) 1.196 5.781 ( -2.375 -0.176 1.850) 3.016 5.819 ( -2.803 -0.191 -1.977) 3.435 ======================= Grid point 394 (130/147) ======================= q-point: (-0.62 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -4.164 -0.769 1.598) 4.526 1.852 ( -3.219 -0.216 1.001) 3.378 1.933 ( -8.359 0.062 2.746) 8.799 1.981 ( -8.368 -1.132 -1.132) 8.520 2.006 ( -4.937 -2.454 1.262) 5.656 2.039 ( -4.555 -3.151 -1.569) 5.757 2.315 ( -0.569 0.453 2.248) 2.363 2.324 ( 1.445 1.324 4.707) 5.098 2.363 ( 0.355 -0.313 1.805) 1.866 2.460 ( 0.736 1.751 -3.017) 3.565 2.692 ( -1.419 -0.245 8.947) 9.062 2.785 ( 0.125 1.110 2.449) 2.692 2.834 ( -0.602 0.048 -2.820) 2.884 2.964 ( 0.498 -0.117 -16.140) 16.148 3.384 ( 9.037 0.621 2.981) 9.537 3.442 ( 8.742 1.545 -2.699) 9.279 4.037 ( -7.738 0.492 0.118) 7.755 4.057 ( -7.109 -0.723 -1.920) 7.399 4.201 ( -4.265 -0.563 1.894) 4.701 4.244 ( -2.379 -0.248 -2.512) 3.468 4.500 ( -1.908 -0.120 0.715) 2.042 4.508 ( -1.215 -0.320 -0.058) 1.257 4.661 ( -2.112 1.301 4.486) 5.126 4.741 ( -1.490 1.710 -1.507) 2.724 4.768 ( -1.469 -0.257 1.432) 2.068 4.837 ( -1.078 0.178 -3.701) 3.859 5.311 ( -1.204 0.579 4.320) 4.522 5.337 ( -3.651 0.682 -0.240) 3.722 5.378 ( -1.352 -0.128 3.787) 4.023 5.438 ( 1.227 -0.156 0.861) 1.506 5.477 ( -0.179 -1.144 -1.418) 1.830 5.486 ( 2.736 -0.691 -3.132) 4.215 5.615 ( 0.580 -0.231 0.669) 0.915 5.627 ( 1.496 -0.422 -0.514) 1.637 5.742 ( -1.743 -1.191 1.430) 2.550 5.772 ( -2.328 -1.271 -1.577) 3.086 ======================= Grid point 395 (131/147) ======================= q-point: (-0.54 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -13.306 0.225 3.877) 13.861 1.737 ( -9.308 1.030 -0.262) 9.369 1.765 ( -7.087 -0.345 1.447) 7.241 1.795 ( -8.045 -1.511 -0.945) 8.240 1.932 ( -5.624 -6.266 4.085) 9.358 1.981 ( -4.413 -5.081 -0.534) 6.751 2.284 ( -2.482 -0.117 0.046) 2.485 2.293 ( -2.614 -0.338 -1.108) 2.859 2.455 ( 6.768 2.826 1.284) 7.446 2.478 ( 2.777 3.161 -0.949) 4.313 2.662 ( -1.109 0.862 10.561) 10.654 2.793 ( 0.004 0.963 2.360) 2.549 2.817 ( -2.498 -1.925 -2.031) 3.751 2.975 ( 0.387 0.046 -14.080) 14.086 3.515 ( 5.005 3.363 0.830) 6.086 3.549 ( 3.613 3.181 -2.309) 5.339 3.785 ( -15.695 -2.071 0.502) 15.839 3.813 ( -15.008 0.621 -2.379) 15.208 4.242 ( 4.988 -0.196 2.539) 5.600 4.292 ( 5.220 -0.408 -2.435) 5.775 4.445 ( -4.106 -0.098 1.499) 4.372 4.470 ( -3.243 -0.409 -1.071) 3.440 4.588 ( -4.494 2.211 4.707) 6.873 4.686 ( -3.075 2.531 -3.854) 5.542 4.738 ( -0.786 -0.161 2.195) 2.337 4.799 ( -2.398 -1.229 -2.968) 4.009 5.263 ( -2.251 0.626 1.702) 2.891 5.282 ( -1.750 -0.159 -0.556) 1.843 5.388 ( 1.067 -1.217 6.235) 6.441 5.444 ( -0.615 -0.290 0.364) 0.771 5.478 ( -0.482 -2.177 0.566) 2.301 5.533 ( 2.314 -0.290 -3.520) 4.222 5.625 ( -0.524 0.080 0.994) 1.127 5.645 ( -0.094 0.807 -1.092) 1.361 5.748 ( 1.397 -2.080 0.498) 2.555 5.758 ( 0.405 -3.059 -0.724) 3.169 ======================= Grid point 396 (132/147) ======================= q-point: (-0.46 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -14.657 4.031 3.762) 15.660 1.488 ( -13.952 1.635 -4.119) 14.639 1.619 ( -7.606 1.810 5.702) 9.677 1.673 ( -6.181 1.695 1.426) 6.566 1.872 ( -4.591 -7.308 3.345) 9.256 1.949 ( -2.735 -7.495 -2.298) 8.303 2.220 ( -3.578 -0.346 1.390) 3.854 2.263 ( -2.215 -1.931 -1.999) 3.554 2.465 ( -3.765 2.448 2.297) 5.044 2.503 ( -3.421 1.651 -1.758) 4.186 2.643 ( 0.511 1.439 7.674) 7.824 2.765 ( -3.033 -2.467 1.829) 4.316 2.784 ( 0.349 -1.063 -0.094) 1.123 2.973 ( -0.409 0.457 -11.549) 11.565 3.449 ( -10.913 3.246 1.866) 11.538 3.494 ( -13.826 0.882 1.311) 13.916 3.562 ( -0.090 4.131 -3.185) 5.217 3.623 ( -1.341 1.694 -5.257) 5.684 4.332 ( -3.067 0.150 2.201) 3.778 4.345 ( -1.606 0.593 2.873) 3.344 4.378 ( -5.263 0.014 -0.584) 5.295 4.409 ( 4.470 -0.445 -2.514) 5.148 4.470 ( -4.860 0.493 4.951) 6.955 4.589 ( -5.107 0.599 -6.030) 7.924 4.765 ( 2.989 -0.624 0.830) 3.164 4.791 ( 0.958 -2.356 -1.309) 2.860 5.238 ( -0.033 0.252 1.985) 2.001 5.271 ( 0.455 -0.195 -1.249) 1.343 5.400 ( -0.855 -1.038 3.057) 3.340 5.426 ( -1.308 -0.449 0.025) 1.383 5.510 ( 2.608 -2.170 4.440) 5.588 5.579 ( 0.558 0.452 -1.301) 1.486 5.601 ( -1.065 -1.536 0.441) 1.920 5.621 ( -0.653 -0.695 -1.593) 1.857 5.795 ( 2.814 -0.662 1.165) 3.117 5.826 ( 3.879 -2.153 -2.004) 4.868 ======================= Grid point 397 (133/147) ======================= q-point: (-0.38 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -10.218 8.334 4.346) 13.884 1.218 ( -11.355 4.638 -4.315) 13.003 1.470 ( -5.783 3.320 6.222) 9.120 1.532 ( -6.568 4.924 0.508) 8.225 1.843 ( -2.819 -6.578 4.560) 8.486 1.932 ( -3.593 -4.798 -2.893) 6.656 2.114 ( -8.730 1.410 1.834) 9.031 2.187 ( -8.825 -1.384 -3.788) 9.703 2.287 ( -9.807 -3.040 6.314) 12.054 2.388 ( -6.638 -2.284 -3.765) 7.966 2.659 ( 1.403 -0.326 6.630) 6.785 2.737 ( -0.690 1.421 6.062) 6.264 2.836 ( 3.572 -1.843 -4.391) 5.953 2.959 ( -0.553 -0.070 -8.524) 8.542 3.210 ( -10.535 0.404 2.039) 10.738 3.272 ( -9.299 -0.360 -2.725) 9.697 3.540 ( 0.761 4.208 -0.466) 4.302 3.611 ( 1.286 5.291 -6.717) 8.647 4.163 ( -10.682 0.931 2.523) 11.015 4.194 ( -9.808 0.415 -0.409) 9.825 4.323 ( -6.532 -0.020 -0.052) 6.532 4.326 ( -6.289 -0.193 -0.469) 6.309 4.540 ( 4.098 -1.746 1.753) 4.787 4.577 ( 3.714 -2.181 -1.546) 4.576 4.820 ( 1.999 -2.137 1.510) 3.292 4.869 ( 4.511 -2.164 -2.829) 5.747 5.255 ( 1.783 0.441 2.105) 2.794 5.295 ( 1.776 0.161 -1.458) 2.303 5.379 ( -1.291 0.011 1.923) 2.317 5.404 ( -1.098 -0.350 -0.396) 1.218 5.526 ( -2.712 -1.378 1.129) 3.245 5.540 ( -3.106 -0.466 -0.682) 3.214 5.634 ( 4.231 -2.866 3.870) 6.411 5.683 ( 4.039 -1.157 0.273) 4.211 5.853 ( 3.199 1.436 2.113) 4.094 5.916 ( 4.481 -0.316 -3.847) 5.914 ======================= Grid point 398 (134/147) ======================= q-point: (-0.31 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.964 11.961 3.564) 12.518 1.024 ( -4.597 8.582 -0.951) 9.782 1.341 ( -9.486 9.238 1.902) 13.377 1.369 ( -2.730 4.647 -0.299) 5.398 1.747 ( -11.186 1.767 11.040) 15.815 1.881 ( -1.596 -4.493 -0.186) 4.772 1.943 ( -6.727 -0.874 -1.238) 6.895 2.000 ( -6.985 -1.481 -5.302) 8.893 2.177 ( -5.273 -4.574 7.518) 10.258 2.316 ( -3.022 -5.084 -5.701) 8.214 2.694 ( 1.543 0.636 6.962) 7.159 2.731 ( 1.148 -0.313 5.421) 5.550 2.922 ( 3.468 -2.825 -3.276) 5.545 2.962 ( -0.529 -2.271 -4.052) 4.675 3.055 ( -5.683 -1.742 0.454) 5.962 3.138 ( -4.885 -1.604 -7.268) 8.903 3.545 ( 2.182 5.082 -0.169) 5.534 3.608 ( 1.762 6.485 -6.225) 9.160 3.958 ( -8.774 0.634 2.241) 9.078 4.003 ( -9.075 0.146 -2.098) 9.315 4.193 ( -6.118 -1.871 1.010) 6.477 4.221 ( -4.644 -1.646 -1.541) 5.163 4.608 ( 2.033 -1.935 3.535) 4.514 4.668 ( 3.139 -2.550 -1.601) 4.349 4.870 ( 1.429 -3.242 3.919) 5.284 4.956 ( 2.825 -2.368 -3.955) 5.407 5.289 ( 1.803 1.200 2.252) 3.124 5.330 ( 1.970 1.135 -1.695) 2.836 5.360 ( -0.162 0.529 1.631) 1.723 5.388 ( -0.775 0.397 -1.079) 1.387 5.474 ( -3.061 -2.296 0.492) 3.858 5.487 ( -3.064 -2.558 -0.697) 4.052 5.725 ( 3.162 -0.841 3.774) 4.995 5.763 ( 3.247 -0.973 1.337) 3.643 5.894 ( 2.190 3.015 3.690) 5.244 5.993 ( 3.456 0.990 -5.502) 6.572 ======================= Grid point 399 (135/147) ======================= q-point: (-0.23 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -0.000 14.058 2.961) 14.367 0.991 ( -0.000 9.783 -4.960) 10.968 1.097 ( -0.000 12.148 11.109) 16.461 1.312 ( -0.000 6.843 -10.569) 12.591 1.588 ( -0.000 3.879 19.296) 19.682 1.877 ( 0.000 -2.779 -9.298) 9.705 1.889 ( 0.000 -1.866 3.528) 3.992 1.951 ( 0.000 -0.985 -2.851) 3.016 2.156 ( 0.000 -7.696 9.462) 12.197 2.327 ( 0.000 -7.483 -7.108) 10.321 2.695 ( -0.000 2.855 7.628) 8.145 2.770 ( 0.000 -3.218 2.296) 3.953 2.946 ( 0.000 -1.835 1.383) 2.298 2.974 ( 0.000 -1.594 -1.447) 2.153 3.027 ( 0.000 -3.623 -2.753) 4.550 3.112 ( 0.000 -3.069 -9.540) 10.021 3.537 ( -0.000 7.026 -0.458) 7.041 3.591 ( -0.000 6.756 -5.798) 8.903 3.863 ( -0.000 0.296 1.787) 1.811 3.901 ( 0.000 -0.248 -2.043) 2.058 4.142 ( 0.000 -2.352 2.431) 3.383 4.186 ( 0.000 -2.451 -1.998) 3.162 4.640 ( 0.000 -2.289 4.184) 4.769 4.714 ( 0.000 -2.795 -2.617) 3.829 4.906 ( 0.000 -3.967 5.014) 6.393 4.998 ( 0.000 -2.523 -3.768) 4.535 5.298 ( -0.000 1.789 2.957) 3.456 5.352 ( -0.000 1.224 0.653) 1.388 5.356 ( -0.000 2.041 -2.763) 3.436 5.366 ( -0.000 1.297 -0.744) 1.495 5.458 ( 0.000 -3.645 0.813) 3.735 5.471 ( 0.000 -3.999 -0.624) 4.048 5.755 ( -0.000 0.346 3.556) 3.573 5.800 ( 0.000 -0.010 0.219) 0.219 5.899 ( -0.000 2.959 5.566) 6.304 6.023 ( -0.000 1.401 -6.379) 6.531 ======================= Grid point 406 (136/147) ======================= q-point: (-0.69 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -4.195 -0.000 1.996) 4.645 1.851 ( -3.341 -0.000 1.030) 3.496 1.938 ( -10.003 -0.000 2.244) 10.251 1.965 ( -5.682 -0.000 1.693) 5.929 2.001 ( -8.313 -0.000 -1.569) 8.460 2.016 ( -3.406 -0.000 -1.618) 3.771 2.316 ( -1.526 -0.000 1.555) 2.179 2.334 ( 2.156 0.000 4.904) 5.357 2.361 ( 0.769 0.000 2.487) 2.603 2.470 ( 1.188 0.000 -3.333) 3.538 2.690 ( -0.831 -0.000 9.194) 9.232 2.792 ( 0.079 0.000 2.162) 2.164 2.834 ( -0.795 -0.000 -2.315) 2.447 2.963 ( 0.504 0.000 -16.271) 16.279 3.387 ( 9.314 0.000 3.275) 9.873 3.450 ( 8.920 0.000 -2.931) 9.389 4.042 ( -8.677 -0.000 -0.539) 8.694 4.052 ( -7.078 -0.000 -1.653) 7.269 4.198 ( -3.665 -0.000 2.079) 4.214 4.242 ( -2.282 -0.000 -2.563) 3.431 4.500 ( -1.931 -0.000 0.666) 2.043 4.506 ( -1.278 -0.000 0.001) 1.278 4.669 ( -1.821 -0.000 4.494) 4.849 4.755 ( -1.329 -0.000 -4.098) 4.308 4.762 ( -1.432 -0.000 4.143) 4.383 4.839 ( -1.259 -0.000 -3.707) 3.915 5.315 ( -0.802 -0.000 4.303) 4.377 5.342 ( -3.942 -0.000 -0.393) 3.961 5.376 ( -2.332 -0.000 4.224) 4.825 5.438 ( 1.416 0.000 1.760) 2.259 5.470 ( -0.443 -0.000 -1.993) 2.041 5.482 ( 3.179 0.000 -3.617) 4.816 5.614 ( 0.518 0.000 0.534) 0.744 5.624 ( 1.883 0.000 -0.467) 1.940 5.735 ( -2.067 -0.000 1.398) 2.496 5.765 ( -2.572 -0.000 -1.558) 3.008 ======================= Grid point 408 (137/147) ======================= q-point: (-0.62 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -11.170 0.388 3.666) 11.762 1.746 ( -9.926 0.456 0.003) 9.936 1.764 ( -5.723 -0.062 0.627) 5.758 1.783 ( -7.073 -0.560 -1.124) 7.184 1.878 ( -7.075 -2.652 5.695) 9.462 1.940 ( -5.208 -1.876 -1.114) 5.647 2.281 ( -2.019 -0.161 0.387) 2.062 2.291 ( -3.632 -0.051 -1.081) 3.790 2.480 ( 7.727 1.264 0.907) 7.882 2.502 ( 2.137 1.050 -1.208) 2.670 2.670 ( -0.827 0.345 10.891) 10.928 2.801 ( -0.932 0.339 1.221) 1.573 2.802 ( -3.265 -0.614 -0.473) 3.355 2.975 ( 0.536 0.003 -14.527) 14.537 3.541 ( 6.563 1.172 0.450) 6.682 3.573 ( 3.864 1.079 -2.441) 4.696 3.767 ( -16.143 -0.913 1.830) 16.272 3.818 ( -14.744 0.240 -3.493) 15.154 4.240 ( 4.965 -0.079 2.416) 5.522 4.289 ( 5.016 -0.135 -2.444) 5.582 4.444 ( -4.013 -0.040 1.395) 4.248 4.466 ( -3.166 -0.192 -0.940) 3.308 4.607 ( -4.794 0.874 4.911) 6.918 4.711 ( -3.012 1.612 -4.415) 5.583 4.733 ( -1.020 -0.659 2.345) 2.641 4.788 ( -3.099 -0.531 -2.423) 3.969 5.271 ( -2.562 0.609 0.663) 2.715 5.280 ( -1.844 -0.199 -0.130) 1.860 5.374 ( 0.990 -0.843 7.285) 7.400 5.446 ( -0.529 0.618 0.633) 1.031 5.458 ( -0.668 -1.381 0.433) 1.594 5.531 ( 2.264 -0.091 -3.990) 4.588 5.625 ( -0.622 0.044 1.222) 1.372 5.654 ( 0.031 0.531 -1.560) 1.648 5.726 ( 1.811 -1.310 0.426) 2.275 5.737 ( 0.412 -0.794 -0.475) 1.013 ======================= Grid point 409 (138/147) ======================= q-point: (-0.54 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -12.167 4.241 1.920) 13.027 1.501 ( -12.905 0.523 -2.134) 13.091 1.649 ( -6.027 3.545 4.595) 8.367 1.694 ( -4.140 1.818 1.771) 4.856 1.787 ( -4.807 -7.243 4.373) 9.731 1.869 ( -3.294 -5.838 -1.545) 6.879 2.217 ( -3.704 -0.098 1.006) 3.840 2.245 ( -2.538 -1.122 -1.283) 3.058 2.491 ( -4.949 1.906 1.090) 5.414 2.516 ( -6.249 0.504 -1.198) 6.382 2.665 ( -0.004 2.331 5.175) 5.675 2.733 ( -0.725 -3.032 1.330) 3.390 2.774 ( -0.694 -0.592 2.420) 2.586 2.978 ( -0.198 0.340 -11.991) 11.998 3.469 ( -12.795 0.673 1.894) 12.952 3.510 ( -14.488 1.567 -2.055) 14.717 3.597 ( -0.321 1.972 -0.976) 2.224 3.642 ( 2.177 1.391 -4.281) 5.000 4.333 ( -2.678 0.026 2.063) 3.381 4.352 ( -0.425 0.564 2.800) 2.888 4.375 ( -5.788 -0.413 -0.708) 5.846 4.403 ( 5.665 -0.439 -1.865) 5.980 4.475 ( -7.261 0.350 4.566) 8.584 4.595 ( -7.201 0.490 -6.451) 9.680 4.758 ( 2.948 -0.683 0.671) 3.099 4.770 ( 0.658 -1.177 -0.403) 1.407 5.243 ( 0.063 0.573 1.498) 1.605 5.269 ( 0.571 -0.153 -0.800) 0.995 5.392 ( 0.047 -0.288 2.823) 2.838 5.421 ( -1.468 -0.416 -0.490) 1.602 5.487 ( 3.201 -1.515 5.981) 6.951 5.583 ( 0.288 0.297 -1.130) 1.203 5.585 ( -0.720 -1.068 0.065) 1.290 5.614 ( -2.682 -0.472 -1.825) 3.278 5.791 ( 3.926 -0.153 0.406) 3.950 5.807 ( 4.942 -1.210 -1.452) 5.291 ======================= Grid point 410 (139/147) ======================= q-point: (-0.46 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -9.217 6.338 2.949) 11.568 1.273 ( -8.429 5.004 -2.639) 10.151 1.514 ( -4.909 4.352 6.497) 9.233 1.591 ( -4.509 5.113 0.180) 6.820 1.764 ( -2.072 -6.866 5.283) 8.907 1.869 ( -1.623 -5.900 -2.973) 6.803 2.127 ( -7.410 0.975 0.652) 7.503 2.170 ( -7.923 -1.515 -2.739) 8.519 2.256 ( -13.050 -2.123 5.755) 14.420 2.361 ( -8.127 -2.188 -4.253) 9.430 2.653 ( 0.281 -0.493 6.946) 6.970 2.752 ( 0.347 0.906 9.330) 9.380 2.819 ( 3.453 -1.043 -7.695) 8.498 2.963 ( -0.971 0.544 -8.824) 8.894 3.219 ( -11.982 1.264 0.898) 12.082 3.267 ( -10.042 -0.703 -2.791) 10.446 3.578 ( 0.332 2.429 1.237) 2.746 3.666 ( 1.894 3.945 -7.414) 8.609 4.173 ( -10.645 0.932 2.280) 10.926 4.196 ( -9.849 -0.082 0.193) 9.851 4.320 ( -8.046 -0.287 -0.260) 8.055 4.322 ( -7.130 -0.389 -0.619) 7.167 4.523 ( 4.383 -1.028 1.611) 4.781 4.555 ( 3.582 -1.566 -0.863) 4.004 4.800 ( 1.655 -1.330 1.153) 2.416 4.845 ( 4.365 -1.871 -2.562) 5.396 5.262 ( 1.957 0.629 1.951) 2.833 5.295 ( 1.732 -0.198 -0.688) 1.874 5.384 ( -0.488 0.748 0.969) 1.318 5.402 ( -0.668 0.039 -0.624) 0.915 5.512 ( -3.301 -0.970 1.384) 3.709 5.534 ( -4.089 -0.436 -1.197) 4.283 5.601 ( 5.245 -2.603 5.626) 8.120 5.670 ( 4.226 -0.957 -0.078) 4.334 5.869 ( 4.188 1.162 1.211) 4.512 5.913 ( 5.362 -0.201 -3.263) 6.280 ======================= Grid point 411 (140/147) ======================= q-point: (-0.38 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -1.978 5.601 5.312) 7.969 1.144 ( 0.335 11.364 -2.343) 11.608 1.417 ( -4.104 4.297 2.588) 6.482 1.450 ( -5.205 8.856 1.472) 10.377 1.741 ( -6.580 -2.726 6.415) 9.586 1.834 ( -2.982 -3.198 -1.574) 4.647 1.935 ( -8.827 -0.727 0.226) 8.859 1.978 ( -6.492 -1.984 -3.743) 7.752 2.140 ( -4.431 -2.258 6.189) 7.940 2.269 ( -3.674 -2.980 -5.299) 7.104 2.676 ( 1.253 -2.348 9.053) 9.436 2.748 ( 0.319 1.912 8.075) 8.304 2.892 ( 3.278 -2.148 -5.718) 6.932 2.943 ( -1.290 -0.968 -4.188) 4.488 3.039 ( -6.179 -0.961 -1.067) 6.343 3.116 ( -6.355 -2.280 -7.580) 10.151 3.591 ( 2.408 2.975 1.331) 4.052 3.678 ( 2.175 5.414 -7.697) 9.659 3.966 ( -8.987 0.702 1.997) 9.234 4.004 ( -9.354 0.041 -1.630) 9.495 4.172 ( -6.603 -1.782 1.209) 6.945 4.202 ( -5.356 -1.494 -1.676) 5.808 4.592 ( 2.237 -0.867 3.309) 4.087 4.641 ( 3.110 -2.000 -0.462) 3.726 4.838 ( 1.175 -2.138 3.354) 4.147 4.928 ( 2.654 -2.391 -4.308) 5.596 5.301 ( 2.155 0.770 2.075) 3.089 5.334 ( 2.137 -0.448 -0.574) 2.258 5.371 ( -0.145 1.292 0.847) 1.552 5.391 ( -0.325 0.446 -0.596) 0.812 5.454 ( -3.076 -1.202 -0.127) 3.305 5.463 ( -3.679 -1.573 -0.723) 4.066 5.711 ( 4.038 -1.403 4.629) 6.301 5.751 ( 3.260 -0.931 1.787) 3.833 5.927 ( 2.727 2.596 2.322) 4.423 6.003 ( 3.767 0.658 -4.823) 6.155 ======================= Grid point 412 (141/147) ======================= q-point: (-0.31 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -0.000 6.096 6.710) 9.066 1.135 ( -0.000 13.327 -5.380) 14.372 1.233 ( -0.000 11.008 8.018) 13.619 1.391 ( -0.000 6.590 -7.880) 10.273 1.622 ( -0.000 1.842 13.559) 13.683 1.833 ( 0.000 -4.477 -6.796) 8.138 1.868 ( 0.000 -1.642 3.733) 4.079 1.937 ( 0.000 -1.419 -3.286) 3.580 2.099 ( 0.000 -2.350 8.053) 8.389 2.255 ( 0.000 -4.749 -6.228) 7.831 2.709 ( 0.000 -1.901 8.172) 8.390 2.747 ( -0.000 0.565 7.376) 7.398 2.922 ( 0.000 -2.167 1.655) 2.727 2.957 ( 0.000 -1.443 -1.763) 2.279 2.989 ( 0.000 -2.682 -6.183) 6.740 3.070 ( 0.000 -3.987 -11.145) 11.837 3.604 ( -0.000 4.486 0.253) 4.493 3.671 ( -0.000 6.740 -6.882) 9.633 3.866 ( -0.000 0.346 1.477) 1.516 3.898 ( 0.000 -0.279 -1.665) 1.688 4.115 ( 0.000 -2.176 2.327) 3.185 4.158 ( 0.000 -2.303 -1.961) 3.024 4.619 ( 0.000 -1.236 3.926) 4.116 4.685 ( 0.000 -2.295 -1.587) 2.791 4.865 ( 0.000 -2.989 4.816) 5.668 4.969 ( 0.000 -2.577 -4.428) 5.124 5.318 ( -0.000 1.542 2.931) 3.312 5.366 ( -0.000 1.129 0.693) 1.325 5.371 ( -0.000 0.155 -1.716) 1.723 5.380 ( -0.000 1.165 -0.765) 1.394 5.425 ( 0.000 -2.275 -0.226) 2.286 5.430 ( 0.000 -2.501 -0.427) 2.537 5.755 ( 0.000 -0.408 4.057) 4.077 5.792 ( 0.000 -1.031 1.909) 2.169 5.937 ( -0.000 3.333 3.457) 4.802 6.037 ( -0.000 1.017 -5.764) 5.854 ======================= Grid point 421 (142/147) ======================= q-point: (-0.62 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -10.263 -0.000 -0.192) 10.265 1.497 ( -13.408 -0.000 -0.165) 13.409 1.697 ( -2.508 -0.000 1.036) 2.713 1.701 ( -4.298 -0.000 0.382) 4.315 1.722 ( -6.018 -0.000 10.084) 11.743 1.831 ( -4.452 -0.000 -1.784) 4.796 2.217 ( -3.775 -0.000 0.910) 3.883 2.238 ( -2.674 -0.000 -0.939) 2.834 2.504 ( -4.223 -0.000 0.142) 4.225 2.517 ( -8.575 -0.000 -0.536) 8.592 2.692 ( -5.277 -0.000 1.386) 5.456 2.702 ( 5.222 0.000 4.390) 6.822 2.770 ( -1.062 -0.000 2.920) 3.107 2.980 ( -0.098 -0.000 -12.156) 12.157 3.472 ( -13.196 -0.000 2.085) 13.360 3.520 ( -14.850 -0.000 -3.712) 15.307 3.608 ( -0.303 -0.000 0.115) 0.324 3.651 ( 3.332 0.000 -3.926) 5.149 4.333 ( -2.541 -0.000 1.978) 3.220 4.356 ( 1.086 0.000 2.997) 3.188 4.371 ( -7.070 -0.000 -0.967) 7.135 4.400 ( 5.925 0.000 -1.598) 6.137 4.478 ( -7.987 -0.000 4.395) 9.116 4.599 ( -8.085 -0.000 -6.722) 10.515 4.752 ( 2.963 0.000 1.113) 3.166 4.764 ( 0.611 0.000 -0.450) 0.759 5.248 ( 0.078 0.000 1.135) 1.138 5.268 ( 0.575 0.000 -0.388) 0.694 5.391 ( 0.784 0.000 2.476) 2.597 5.418 ( -1.693 -0.000 -0.576) 1.788 5.478 ( 3.268 0.000 6.562) 7.331 5.578 ( -2.048 -0.000 0.727) 2.173 5.586 ( 1.943 0.000 -1.913) 2.727 5.611 ( -3.719 -0.000 -1.793) 4.128 5.790 ( 4.283 0.000 0.127) 4.285 5.799 ( 5.379 0.000 -1.245) 5.521 ======================= Grid point 423 (143/147) ======================= q-point: (-0.54 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -10.370 1.589 4.035) 11.240 1.326 ( -5.713 3.008 -3.970) 7.579 1.567 ( -5.111 4.137 6.657) 9.357 1.644 ( -2.974 3.045 -1.028) 4.378 1.693 ( -1.013 -4.418 6.758) 8.137 1.805 ( -0.133 -4.221 -2.430) 4.872 2.138 ( -6.515 0.962 0.048) 6.586 2.152 ( -7.275 -1.419 -1.257) 7.518 2.240 ( -15.768 -0.637 4.446) 16.395 2.342 ( -8.664 -0.935 -4.465) 9.792 2.649 ( -0.490 -0.139 6.909) 6.927 2.757 ( 0.667 0.124 10.921) 10.942 2.812 ( 3.806 -0.248 -9.262) 10.016 2.968 ( -1.043 0.284 -8.912) 8.977 3.237 ( -12.386 1.648 -0.831) 12.523 3.255 ( -10.962 -1.275 -2.100) 11.234 3.596 ( 0.063 0.800 2.532) 2.656 3.698 ( 2.130 1.440 -7.796) 8.210 4.183 ( -10.845 0.747 1.839) 11.026 4.193 ( -9.596 -0.470 0.916) 9.651 4.318 ( -8.594 -0.140 -0.524) 8.611 4.318 ( -7.992 -0.229 -0.722) 8.028 4.516 ( 4.871 -0.260 1.423) 5.081 4.543 ( 3.438 -0.607 -0.288) 3.503 4.790 ( 1.612 -0.383 0.605) 1.764 4.828 ( 4.144 -0.817 -2.153) 4.741 5.268 ( 1.850 0.361 1.717) 2.550 5.291 ( 1.515 -0.256 0.152) 1.544 5.392 ( -0.660 0.429 0.298) 0.842 5.405 ( 0.538 0.290 -1.384) 1.513 5.504 ( -4.045 -0.409 1.287) 4.264 5.530 ( -4.395 -0.330 -1.161) 4.558 5.579 ( 5.984 -1.019 6.998) 9.264 5.662 ( 4.368 -0.367 -0.335) 4.397 5.879 ( 4.681 0.474 0.750) 4.764 5.911 ( 5.808 -0.104 -2.910) 6.497 ======================= Grid point 424 (144/147) ======================= q-point: (-0.46 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 423 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -3.329 2.186 9.188) 10.014 1.256 ( 1.735 7.216 -6.549) 9.898 1.462 ( -4.164 3.376 5.466) 7.656 1.546 ( -4.388 7.427 -0.295) 8.632 1.695 ( -3.219 -4.687 6.112) 8.348 1.806 ( -2.763 -1.866 -3.112) 4.560 1.926 ( -9.822 -0.613 0.743) 9.869 1.958 ( -6.768 -1.480 -2.834) 7.485 2.118 ( -3.001 -1.460 5.360) 6.314 2.245 ( -3.373 -1.252 -5.446) 6.528 2.653 ( 0.513 -1.470 10.894) 11.005 2.763 ( 0.250 0.776 9.944) 9.978 2.876 ( 2.990 -0.718 -8.764) 9.287 2.937 ( -2.425 -0.244 -3.185) 4.010 3.036 ( -6.563 0.392 -3.228) 7.324 3.088 ( -7.461 -2.325 -6.821) 10.373 3.616 ( 2.453 1.342 2.831) 3.979 3.727 ( 2.373 2.977 -8.875) 9.657 3.974 ( -9.138 0.522 1.693) 9.308 4.004 ( -9.475 -0.056 -1.140) 9.543 4.155 ( -6.776 -1.090 1.321) 6.989 4.188 ( -5.745 -0.902 -1.862) 6.106 4.588 ( 2.507 0.076 2.900) 3.834 4.622 ( 3.071 -1.337 1.076) 3.518 4.821 ( 1.113 -0.838 2.051) 2.479 4.903 ( 2.520 -1.762 -4.261) 5.254 5.306 ( 2.057 0.169 1.732) 2.694 5.326 ( 1.751 -0.752 0.371) 1.941 5.383 ( -0.056 0.585 0.811) 1.002 5.404 ( -0.518 1.670 -0.710) 1.887 5.441 ( -2.338 -1.258 -0.507) 2.703 5.450 ( -3.870 -0.613 -0.874) 4.014 5.696 ( 4.645 -1.044 5.386) 7.189 5.743 ( 3.289 -0.523 1.696) 3.737 5.951 ( 3.123 1.528 1.532) 3.799 6.008 ( 3.921 0.259 -4.209) 5.759 ======================= Grid point 425 (145/147) ======================= q-point: (-0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -0.000 2.536 11.952) 12.218 1.271 ( -0.000 9.783 -8.297) 12.828 1.343 ( -0.000 7.676 5.870) 9.663 1.459 ( -0.000 4.958 -5.809) 7.637 1.630 ( 0.000 -0.410 10.230) 10.238 1.788 ( 0.000 -2.705 -5.094) 5.767 1.853 ( 0.000 -0.909 3.462) 3.580 1.919 ( 0.000 -1.637 -3.214) 3.607 2.088 ( 0.000 -0.295 5.649) 5.656 2.218 ( 0.000 -1.872 -5.197) 5.524 2.676 ( 0.000 -2.655 11.733) 12.030 2.762 ( -0.000 1.119 8.945) 9.015 2.899 ( 0.000 -1.775 2.076) 2.731 2.942 ( 0.000 -1.050 -2.223) 2.458 2.967 ( 0.000 -1.239 -10.162) 10.237 3.025 ( 0.000 -3.411 -11.307) 11.810 3.643 ( -0.000 2.370 1.829) 2.994 3.738 ( -0.000 4.732 -8.411) 9.651 3.870 ( -0.000 0.321 1.145) 1.189 3.894 ( 0.000 -0.257 -1.278) 1.304 4.093 ( 0.000 -1.523 2.224) 2.696 4.134 ( 0.000 -1.633 -1.913) 2.515 4.612 ( 0.000 -0.104 3.577) 3.579 4.662 ( 0.000 -1.708 0.196) 1.719 4.839 ( 0.000 -1.529 3.388) 3.717 4.940 ( 0.000 -2.315 -4.764) 5.297 5.330 ( -0.000 0.560 2.369) 2.435 5.360 ( 0.000 -1.469 0.132) 1.475 5.377 ( -0.000 0.786 0.714) 1.062 5.392 ( -0.000 0.797 -0.770) 1.109 5.398 ( 0.000 -1.686 0.557) 1.775 5.425 ( -0.000 0.545 -2.295) 2.359 5.748 ( 0.000 -0.741 4.502) 4.562 5.781 ( 0.000 -0.779 2.415) 2.538 5.971 ( -0.000 2.465 2.188) 3.296 6.046 ( -0.000 0.527 -4.972) 5.000 ======================= Grid point 436 (146/147) ======================= q-point: (-0.54 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -3.705 -0.000 10.714) 11.337 1.299 ( 1.892 0.000 -8.826) 9.026 1.485 ( -5.015 -0.000 7.049) 8.651 1.604 ( -4.068 -0.000 -5.094) 6.519 1.653 ( -2.524 -0.000 10.524) 10.823 1.793 ( -1.254 -0.000 -3.731) 3.936 1.923 ( -9.785 -0.000 0.696) 9.810 1.948 ( -7.298 -0.000 -2.382) 7.677 2.109 ( -2.491 -0.000 5.219) 5.783 2.238 ( -3.061 -0.000 -5.683) 6.455 2.644 ( 0.263 0.000 11.416) 11.419 2.767 ( 0.294 0.000 10.607) 10.611 2.873 ( 2.887 0.000 -10.085) 10.490 2.936 ( -3.017 -0.000 -2.482) 3.907 3.042 ( -6.628 -0.000 -4.920) 8.254 3.070 ( -8.005 -0.000 -5.629) 9.786 3.623 ( 2.450 0.000 3.433) 4.217 3.745 ( 2.413 0.000 -9.304) 9.612 3.977 ( -9.194 -0.000 1.533) 9.321 4.003 ( -9.492 -0.000 -0.909) 9.535 4.148 ( -6.807 -0.000 1.349) 6.940 4.183 ( -5.858 -0.000 -1.953) 6.175 4.590 ( 2.669 0.000 2.449) 3.623 4.613 ( 3.002 0.000 2.085) 3.655 4.817 ( 1.134 0.000 1.280) 1.710 4.892 ( 2.449 0.000 -4.107) 4.782 5.306 ( 1.882 0.000 1.561) 2.445 5.321 ( 1.630 0.000 0.613) 1.742 5.386 ( -0.036 -0.000 1.104) 1.105 5.422 ( 0.662 0.000 -2.494) 2.580 5.426 ( -3.499 -0.000 1.013) 3.643 5.447 ( -3.689 -0.000 -1.035) 3.831 5.690 ( 4.860 0.000 5.694) 7.486 5.740 ( 3.317 0.000 1.619) 3.691 5.961 ( 3.271 0.000 1.261) 3.506 6.010 ( 3.963 0.000 -3.964) 5.605 ======================= Grid point 438 (147/147) ======================= q-point: (-0.46 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 8.27e-07 8.27e-07 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -0.000 0.529 14.971) 14.980 1.351 ( -0.000 3.780 -12.210) 12.782 1.404 ( -0.000 2.743 4.873) 5.592 1.500 ( -0.000 1.904 -4.735) 5.103 1.619 ( 0.000 -0.952 11.574) 11.613 1.773 ( 0.000 -0.280 -4.855) 4.863 1.847 ( 0.000 -0.117 2.818) 2.821 1.903 ( 0.000 -0.913 -2.735) 2.884 2.084 ( 0.000 -0.304 4.546) 4.556 2.207 ( 0.000 -0.264 -5.392) 5.399 2.655 ( 0.000 -0.858 13.482) 13.509 2.769 ( -0.000 0.248 9.884) 9.887 2.884 ( 0.000 -0.688 2.370) 2.468 2.933 ( 0.000 -0.393 -2.542) 2.572 2.958 ( 0.000 -0.341 -13.511) 13.515 2.997 ( 0.000 -1.319 -9.753) 9.842 3.660 ( -0.000 0.731 2.898) 2.989 3.776 ( -0.000 1.676 -9.420) 9.568 3.873 ( -0.000 0.148 0.897) 0.909 3.892 ( 0.000 -0.120 -1.000) 1.007 4.081 ( 0.000 -0.546 2.160) 2.228 4.121 ( 0.000 -0.590 -1.881) 1.971 4.615 ( -0.000 0.379 3.019) 3.042 4.646 ( 0.000 -0.902 2.101) 2.287 4.829 ( 0.000 -0.314 1.755) 1.783 4.919 ( 0.000 -1.071 -4.724) 4.844 5.332 ( 0.000 -0.095 1.672) 1.674 5.347 ( 0.000 -0.659 0.567) 0.870 5.383 ( -0.000 0.281 0.721) 0.774 5.387 ( 0.000 -0.285 1.363) 1.393 5.398 ( -0.000 0.282 -0.769) 0.819 5.431 ( -0.000 0.324 -2.715) 2.734 5.741 ( 0.000 -0.362 4.834) 4.848 5.775 ( 0.000 -0.263 2.434) 2.449 5.991 ( -0.000 0.938 1.551) 1.812 6.050 ( -0.000 0.119 -4.431) 4.433 =================== 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 3/30420 10.0 338.066 393.058 115.701 0.000 0.000 -0.000 3/30420 20.0 106.226 71.553 40.787 0.000 0.000 -0.000 3/30420 30.0 54.750 29.632 21.860 0.000 0.000 -0.000 3/30420 40.0 34.394 17.234 14.300 0.000 0.000 -0.000 3/30420 50.0 24.397 11.817 10.410 0.000 0.000 -0.000 3/30420 60.0 18.759 8.914 8.132 0.000 0.000 -0.000 3/30420 70.0 15.229 7.144 6.670 0.000 0.000 -0.000 3/30420 80.0 12.836 5.965 5.662 0.000 0.000 -0.000 3/30420 90.0 11.112 5.127 4.928 0.000 0.000 -0.000 3/30420 100.0 9.811 4.501 4.369 0.000 0.000 -0.000 3/30420 110.0 8.794 4.016 3.929 0.000 0.000 -0.000 3/30420 120.0 7.976 3.629 3.573 0.000 0.000 -0.000 3/30420 130.0 7.302 3.312 3.279 0.000 0.000 -0.000 3/30420 140.0 6.738 3.048 3.031 0.000 0.000 -0.000 3/30420 150.0 6.257 2.825 2.819 0.000 0.000 -0.000 3/30420 160.0 5.842 2.632 2.636 0.000 0.000 -0.000 3/30420 170.0 5.481 2.466 2.476 0.000 0.000 -0.000 3/30420 180.0 5.162 2.319 2.335 0.000 0.000 -0.000 3/30420 190.0 4.880 2.190 2.209 0.000 0.000 -0.000 3/30420 200.0 4.628 2.074 2.097 0.000 0.000 -0.000 3/30420 210.0 4.401 1.970 1.995 0.000 0.000 -0.000 3/30420 220.0 4.195 1.877 1.903 0.000 0.000 -0.000 3/30420 230.0 4.009 1.792 1.820 0.000 0.000 -0.000 3/30420 240.0 3.838 1.715 1.743 0.000 0.000 -0.000 3/30420 250.0 3.682 1.644 1.673 0.000 0.000 -0.000 3/30420 260.0 3.538 1.579 1.608 0.000 0.000 -0.000 3/30420 270.0 3.405 1.518 1.549 0.000 0.000 -0.000 3/30420 280.0 3.282 1.463 1.493 0.000 0.000 -0.000 3/30420 290.0 3.167 1.411 1.442 0.000 0.000 -0.000 3/30420 300.0 3.060 1.363 1.394 0.000 0.000 -0.000 3/30420 310.0 2.961 1.318 1.349 0.000 0.000 -0.000 3/30420 320.0 2.867 1.276 1.306 0.000 0.000 -0.000 3/30420 330.0 2.780 1.237 1.267 0.000 0.000 -0.000 3/30420 340.0 2.698 1.200 1.230 0.000 0.000 -0.000 3/30420 350.0 2.620 1.165 1.195 0.000 0.000 -0.000 3/30420 360.0 2.547 1.132 1.162 0.000 0.000 -0.000 3/30420 370.0 2.478 1.101 1.130 0.000 0.000 -0.000 3/30420 380.0 2.412 1.072 1.101 0.000 0.000 -0.000 3/30420 390.0 2.350 1.044 1.072 0.000 0.000 -0.000 3/30420 400.0 2.291 1.018 1.046 0.000 0.000 -0.000 3/30420 410.0 2.235 0.993 1.020 0.000 0.000 -0.000 3/30420 420.0 2.182 0.969 0.996 0.000 0.000 -0.000 3/30420 430.0 2.131 0.946 0.973 0.000 0.000 -0.000 3/30420 440.0 2.083 0.924 0.951 0.000 0.000 -0.000 3/30420 450.0 2.036 0.904 0.930 0.000 0.000 -0.000 3/30420 460.0 1.992 0.884 0.910 0.000 0.000 -0.000 3/30420 470.0 1.949 0.865 0.891 0.000 0.000 -0.000 3/30420 480.0 1.909 0.847 0.872 0.000 0.000 -0.000 3/30420 490.0 1.870 0.829 0.854 0.000 0.000 -0.000 3/30420 500.0 1.832 0.813 0.837 0.000 0.000 -0.000 3/30420 510.0 1.796 0.797 0.821 0.000 0.000 -0.000 3/30420 520.0 1.762 0.781 0.805 0.000 0.000 -0.000 3/30420 530.0 1.729 0.767 0.790 0.000 0.000 -0.000 3/30420 540.0 1.697 0.752 0.776 0.000 0.000 -0.000 3/30420 550.0 1.666 0.739 0.762 0.000 0.000 -0.000 3/30420 560.0 1.636 0.725 0.748 0.000 0.000 -0.000 3/30420 570.0 1.607 0.712 0.735 0.000 0.000 -0.000 3/30420 580.0 1.580 0.700 0.722 0.000 0.000 -0.000 3/30420 590.0 1.553 0.688 0.710 0.000 0.000 -0.000 3/30420 600.0 1.527 0.677 0.698 0.000 0.000 -0.000 3/30420 610.0 1.502 0.666 0.687 0.000 0.000 -0.000 3/30420 620.0 1.478 0.655 0.676 0.000 0.000 -0.000 3/30420 630.0 1.455 0.644 0.665 0.000 0.000 -0.000 3/30420 640.0 1.432 0.634 0.655 0.000 0.000 -0.000 3/30420 650.0 1.410 0.625 0.645 0.000 0.000 -0.000 3/30420 660.0 1.388 0.615 0.635 0.000 0.000 -0.000 3/30420 670.0 1.368 0.606 0.626 0.000 0.000 -0.000 3/30420 680.0 1.348 0.597 0.617 0.000 0.000 -0.000 3/30420 690.0 1.328 0.588 0.608 0.000 0.000 -0.000 3/30420 700.0 1.309 0.580 0.599 0.000 0.000 -0.000 3/30420 710.0 1.291 0.572 0.591 0.000 0.000 -0.000 3/30420 720.0 1.273 0.564 0.583 0.000 0.000 -0.000 3/30420 730.0 1.256 0.556 0.575 0.000 0.000 -0.000 3/30420 740.0 1.239 0.548 0.567 0.000 0.000 -0.000 3/30420 750.0 1.222 0.541 0.559 0.000 0.000 -0.000 3/30420 760.0 1.206 0.534 0.552 0.000 0.000 -0.000 3/30420 770.0 1.190 0.527 0.545 0.000 0.000 -0.000 3/30420 780.0 1.175 0.520 0.538 0.000 0.000 -0.000 3/30420 790.0 1.160 0.514 0.531 0.000 0.000 -0.000 3/30420 800.0 1.146 0.507 0.525 0.000 0.000 -0.000 3/30420 810.0 1.132 0.501 0.518 0.000 0.000 -0.000 3/30420 820.0 1.118 0.495 0.512 0.000 0.000 -0.000 3/30420 830.0 1.105 0.489 0.506 0.000 0.000 -0.000 3/30420 840.0 1.091 0.483 0.500 0.000 0.000 -0.000 3/30420 850.0 1.079 0.477 0.494 0.000 0.000 -0.000 3/30420 860.0 1.066 0.472 0.488 0.000 0.000 -0.000 3/30420 870.0 1.054 0.466 0.483 0.000 0.000 -0.000 3/30420 880.0 1.042 0.461 0.477 0.000 0.000 -0.000 3/30420 890.0 1.030 0.456 0.472 0.000 0.000 -0.000 3/30420 900.0 1.019 0.451 0.467 0.000 0.000 -0.000 3/30420 910.0 1.008 0.446 0.461 0.000 0.000 -0.000 3/30420 920.0 0.997 0.441 0.456 0.000 0.000 -0.000 3/30420 930.0 0.986 0.436 0.452 0.000 0.000 -0.000 3/30420 940.0 0.976 0.432 0.447 0.000 0.000 -0.000 3/30420 950.0 0.965 0.427 0.442 0.000 0.000 -0.000 3/30420 960.0 0.955 0.423 0.438 0.000 0.000 -0.000 3/30420 970.0 0.945 0.418 0.433 0.000 0.000 -0.000 3/30420 980.0 0.936 0.414 0.429 0.000 0.000 -0.000 3/30420 990.0 0.926 0.410 0.424 0.000 0.000 -0.000 3/30420 1000.0 0.917 0.406 0.420 0.000 0.000 -0.000 3/30420 Thermal conductivity related properties were written into "kappa-m13135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:59:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|