----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:11:19]------------------------- 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: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.757347090191395 -1.917861530000000 0.000000000000000 b 9.757347090191395 1.917861530000000 0.000000000000000 c -0.457945019500589 0.000000000000000 7.147696451808312 Atomic positions (fractional): *1 Sc 0.29858044356142 0.29858044356142 0.88479445385551 44.956 *2 Sc 0.70017696780243 0.70017696780243 0.61728124821684 44.956 3 Sc 0.70141955643858 0.70141955643858 0.11520554614449 44.956 4 Sc 0.29982303219757 0.29982303219757 0.38271875178316 44.956 *5 I 0.10447954420546 0.10447954420546 0.84933129567328 126.904 *6 I 0.41499960934952 0.41499960934952 0.65729545243660 126.904 7 I 0.58500039065048 0.58500039065048 0.34270454756340 126.904 8 I 0.89552045579454 0.89552045579454 0.15066870432672 126.904 *9 O 0.24455765637694 0.24455765637694 0.12767965557464 15.999 *10 O 0.75515185411133 0.75515185411133 0.37953490116359 15.999 11 O 0.75544234362306 0.75544234362306 0.87232034442536 15.999 12 O 0.24484814588867 0.24484814588867 0.62046509883641 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 19.514694180382790 0.000000000000000 0.000000000000000 b 0.000000000000000 3.835723060000000 0.000000000000000 c -0.457945019500589 0.000000000000000 7.147696451808312 Atomic positions (fractional): *1 Sc 0.79858044356142 0.50000000000000 0.88479445385551 44.956 > 1 *2 Sc 0.70017696780243 0.00000000000000 0.61728124821684 44.956 > 2 3 Sc 0.70141955643858 0.00000000000000 0.11520554614449 44.956 > 3 4 Sc 0.79982303219757 0.50000000000000 0.38271875178316 44.956 > 4 5 Sc 0.29858044356142 0.00000000000000 0.88479445385551 44.956 > 1 6 Sc 0.20017696780243 0.50000000000000 0.61728124821684 44.956 > 2 7 Sc 0.20141955643858 0.50000000000000 0.11520554614449 44.956 > 3 8 Sc 0.29982303219757 0.00000000000000 0.38271875178316 44.956 > 4 *9 I 0.60447954420546 0.50000000000000 0.84933129567328 126.904 > 5 *10 I 0.91499960934952 0.50000000000000 0.65729545243660 126.904 > 6 11 I 0.58500039065048 0.00000000000000 0.34270454756340 126.904 > 7 12 I 0.89552045579454 0.00000000000000 0.15066870432672 126.904 > 8 13 I 0.10447954420546 0.00000000000000 0.84933129567328 126.904 > 5 14 I 0.41499960934952 0.00000000000000 0.65729545243660 126.904 > 6 15 I 0.08500039065048 0.50000000000000 0.34270454756340 126.904 > 7 16 I 0.39552045579454 0.50000000000000 0.15066870432672 126.904 > 8 *17 O 0.74455765637694 0.50000000000000 0.12767965557464 15.999 > 9 *18 O 0.75515185411133 0.00000000000000 0.37953490116359 15.999 > 10 19 O 0.75544234362306 0.00000000000000 0.87232034442536 15.999 > 11 20 O 0.74484814588867 0.50000000000000 0.62046509883641 15.999 > 12 21 O 0.24455765637694 0.00000000000000 0.12767965557464 15.999 > 9 22 O 0.25515185411133 0.50000000000000 0.37953490116359 15.999 > 10 23 O 0.25544234362306 0.50000000000000 0.87232034442536 15.999 > 11 24 O 0.24484814588867 0.00000000000000 0.62046509883641 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 19.514694180382790 0.000000000000000 0.000000000000000 b 0.000000000000000 11.507169180000000 0.000000000000000 c -0.915890039001178 0.000000000000000 14.295392903616625 Atomic positions (fractional): *1 Sc 0.79858044356142 0.16666666666667 0.44239722692775 44.956 > 1 2 Sc 0.79858044356142 0.50000000000000 0.44239722692775 44.956 > 1 3 Sc 0.79858044356142 0.83333333333333 0.44239722692775 44.956 > 1 4 Sc 0.79858044356142 0.16666666666667 0.94239722692775 44.956 > 1 5 Sc 0.79858044356142 0.50000000000000 0.94239722692775 44.956 > 1 6 Sc 0.79858044356142 0.83333333333333 0.94239722692775 44.956 > 1 *7 Sc 0.70017696780243 0.00000000000000 0.30864062410842 44.956 > 2 8 Sc 0.70017696780243 0.33333333333333 0.30864062410842 44.956 > 2 9 Sc 0.70017696780243 0.66666666666667 0.30864062410842 44.956 > 2 10 Sc 0.70017696780243 0.00000000000000 0.80864062410842 44.956 > 2 11 Sc 0.70017696780243 0.33333333333333 0.80864062410842 44.956 > 2 12 Sc 0.70017696780243 0.66666666666667 0.80864062410842 44.956 > 2 13 Sc 0.70141955643858 0.00000000000000 0.05760277307225 44.956 > 3 14 Sc 0.70141955643858 0.33333333333333 0.05760277307225 44.956 > 3 15 Sc 0.70141955643858 0.66666666666667 0.05760277307225 44.956 > 3 16 Sc 0.70141955643858 0.00000000000000 0.55760277307225 44.956 > 3 17 Sc 0.70141955643858 0.33333333333333 0.55760277307225 44.956 > 3 18 Sc 0.70141955643858 0.66666666666667 0.55760277307225 44.956 > 3 19 Sc 0.79982303219757 0.16666666666667 0.19135937589158 44.956 > 4 20 Sc 0.79982303219757 0.50000000000000 0.19135937589158 44.956 > 4 21 Sc 0.79982303219757 0.83333333333333 0.19135937589158 44.956 > 4 22 Sc 0.79982303219757 0.16666666666667 0.69135937589158 44.956 > 4 23 Sc 0.79982303219757 0.50000000000000 0.69135937589158 44.956 > 4 24 Sc 0.79982303219757 0.83333333333333 0.69135937589158 44.956 > 4 25 Sc 0.29858044356142 0.00000000000000 0.44239722692775 44.956 > 1 26 Sc 0.29858044356142 0.33333333333333 0.44239722692775 44.956 > 1 27 Sc 0.29858044356142 0.66666666666667 0.44239722692775 44.956 > 1 28 Sc 0.29858044356142 0.00000000000000 0.94239722692775 44.956 > 1 29 Sc 0.29858044356142 0.33333333333333 0.94239722692775 44.956 > 1 30 Sc 0.29858044356142 0.66666666666667 0.94239722692775 44.956 > 1 31 Sc 0.20017696780243 0.16666666666667 0.30864062410842 44.956 > 2 32 Sc 0.20017696780243 0.50000000000000 0.30864062410842 44.956 > 2 33 Sc 0.20017696780243 0.83333333333333 0.30864062410842 44.956 > 2 34 Sc 0.20017696780243 0.16666666666667 0.80864062410842 44.956 > 2 35 Sc 0.20017696780243 0.50000000000000 0.80864062410842 44.956 > 2 36 Sc 0.20017696780243 0.83333333333333 0.80864062410842 44.956 > 2 37 Sc 0.20141955643858 0.16666666666667 0.05760277307225 44.956 > 3 38 Sc 0.20141955643858 0.50000000000000 0.05760277307225 44.956 > 3 39 Sc 0.20141955643858 0.83333333333333 0.05760277307225 44.956 > 3 40 Sc 0.20141955643858 0.16666666666667 0.55760277307225 44.956 > 3 41 Sc 0.20141955643858 0.50000000000000 0.55760277307225 44.956 > 3 42 Sc 0.20141955643858 0.83333333333333 0.55760277307225 44.956 > 3 43 Sc 0.29982303219757 0.00000000000000 0.19135937589158 44.956 > 4 44 Sc 0.29982303219757 0.33333333333333 0.19135937589158 44.956 > 4 45 Sc 0.29982303219757 0.66666666666667 0.19135937589158 44.956 > 4 46 Sc 0.29982303219757 0.00000000000000 0.69135937589158 44.956 > 4 47 Sc 0.29982303219757 0.33333333333333 0.69135937589158 44.956 > 4 48 Sc 0.29982303219757 0.66666666666667 0.69135937589158 44.956 > 4 *49 I 0.60447954420546 0.16666666666667 0.42466564783664 126.904 > 5 50 I 0.60447954420546 0.50000000000000 0.42466564783664 126.904 > 5 51 I 0.60447954420546 0.83333333333333 0.42466564783664 126.904 > 5 52 I 0.60447954420546 0.16666666666667 0.92466564783664 126.904 > 5 53 I 0.60447954420546 0.50000000000000 0.92466564783664 126.904 > 5 54 I 0.60447954420546 0.83333333333333 0.92466564783664 126.904 > 5 *55 I 0.91499960934952 0.16666666666667 0.32864772621830 126.904 > 6 56 I 0.91499960934952 0.50000000000000 0.32864772621830 126.904 > 6 57 I 0.91499960934952 0.83333333333333 0.32864772621830 126.904 > 6 58 I 0.91499960934952 0.16666666666667 0.82864772621830 126.904 > 6 59 I 0.91499960934952 0.50000000000000 0.82864772621830 126.904 > 6 60 I 0.91499960934952 0.83333333333333 0.82864772621830 126.904 > 6 61 I 0.58500039065048 0.00000000000000 0.17135227378170 126.904 > 7 62 I 0.58500039065048 0.33333333333333 0.17135227378170 126.904 > 7 63 I 0.58500039065048 0.66666666666667 0.17135227378170 126.904 > 7 64 I 0.58500039065048 0.00000000000000 0.67135227378170 126.904 > 7 65 I 0.58500039065048 0.33333333333333 0.67135227378170 126.904 > 7 66 I 0.58500039065048 0.66666666666667 0.67135227378170 126.904 > 7 67 I 0.89552045579454 0.00000000000000 0.07533435216336 126.904 > 8 68 I 0.89552045579454 0.33333333333333 0.07533435216336 126.904 > 8 69 I 0.89552045579454 0.66666666666667 0.07533435216336 126.904 > 8 70 I 0.89552045579454 0.00000000000000 0.57533435216336 126.904 > 8 71 I 0.89552045579454 0.33333333333333 0.57533435216336 126.904 > 8 72 I 0.89552045579454 0.66666666666667 0.57533435216336 126.904 > 8 73 I 0.10447954420546 0.00000000000000 0.42466564783664 126.904 > 5 74 I 0.10447954420546 0.33333333333333 0.42466564783664 126.904 > 5 75 I 0.10447954420546 0.66666666666667 0.42466564783664 126.904 > 5 76 I 0.10447954420546 0.00000000000000 0.92466564783664 126.904 > 5 77 I 0.10447954420546 0.33333333333333 0.92466564783664 126.904 > 5 78 I 0.10447954420546 0.66666666666667 0.92466564783664 126.904 > 5 79 I 0.41499960934952 0.00000000000000 0.32864772621830 126.904 > 6 80 I 0.41499960934952 0.33333333333333 0.32864772621830 126.904 > 6 81 I 0.41499960934952 0.66666666666667 0.32864772621830 126.904 > 6 82 I 0.41499960934952 0.00000000000000 0.82864772621830 126.904 > 6 83 I 0.41499960934952 0.33333333333333 0.82864772621830 126.904 > 6 84 I 0.41499960934952 0.66666666666667 0.82864772621830 126.904 > 6 85 I 0.08500039065048 0.16666666666667 0.17135227378170 126.904 > 7 86 I 0.08500039065048 0.50000000000000 0.17135227378170 126.904 > 7 87 I 0.08500039065048 0.83333333333333 0.17135227378170 126.904 > 7 88 I 0.08500039065048 0.16666666666667 0.67135227378170 126.904 > 7 89 I 0.08500039065048 0.50000000000000 0.67135227378170 126.904 > 7 90 I 0.08500039065048 0.83333333333333 0.67135227378170 126.904 > 7 91 I 0.39552045579454 0.16666666666667 0.07533435216336 126.904 > 8 92 I 0.39552045579454 0.50000000000000 0.07533435216336 126.904 > 8 93 I 0.39552045579454 0.83333333333333 0.07533435216336 126.904 > 8 94 I 0.39552045579454 0.16666666666667 0.57533435216336 126.904 > 8 95 I 0.39552045579454 0.50000000000000 0.57533435216336 126.904 > 8 96 I 0.39552045579454 0.83333333333333 0.57533435216336 126.904 > 8 *97 O 0.74455765637694 0.16666666666667 0.06383982778732 15.999 > 9 98 O 0.74455765637694 0.50000000000000 0.06383982778732 15.999 > 9 99 O 0.74455765637694 0.83333333333333 0.06383982778732 15.999 > 9 100 O 0.74455765637694 0.16666666666667 0.56383982778732 15.999 > 9 101 O 0.74455765637694 0.50000000000000 0.56383982778732 15.999 > 9 102 O 0.74455765637694 0.83333333333333 0.56383982778732 15.999 > 9 *103 O 0.75515185411133 0.00000000000000 0.18976745058179 15.999 > 10 104 O 0.75515185411133 0.33333333333333 0.18976745058179 15.999 > 10 105 O 0.75515185411133 0.66666666666667 0.18976745058179 15.999 > 10 106 O 0.75515185411133 0.00000000000000 0.68976745058179 15.999 > 10 107 O 0.75515185411133 0.33333333333333 0.68976745058179 15.999 > 10 108 O 0.75515185411133 0.66666666666667 0.68976745058179 15.999 > 10 109 O 0.75544234362306 0.00000000000000 0.43616017221268 15.999 > 11 110 O 0.75544234362306 0.33333333333333 0.43616017221268 15.999 > 11 111 O 0.75544234362306 0.66666666666667 0.43616017221268 15.999 > 11 112 O 0.75544234362306 0.00000000000000 0.93616017221268 15.999 > 11 113 O 0.75544234362306 0.33333333333333 0.93616017221268 15.999 > 11 114 O 0.75544234362306 0.66666666666667 0.93616017221268 15.999 > 11 115 O 0.74484814588867 0.16666666666667 0.31023254941821 15.999 > 12 116 O 0.74484814588867 0.50000000000000 0.31023254941821 15.999 > 12 117 O 0.74484814588867 0.83333333333333 0.31023254941821 15.999 > 12 118 O 0.74484814588867 0.16666666666667 0.81023254941821 15.999 > 12 119 O 0.74484814588867 0.50000000000000 0.81023254941821 15.999 > 12 120 O 0.74484814588867 0.83333333333333 0.81023254941821 15.999 > 12 121 O 0.24455765637694 0.00000000000000 0.06383982778732 15.999 > 9 122 O 0.24455765637694 0.33333333333333 0.06383982778732 15.999 > 9 123 O 0.24455765637694 0.66666666666667 0.06383982778732 15.999 > 9 124 O 0.24455765637694 0.00000000000000 0.56383982778732 15.999 > 9 125 O 0.24455765637694 0.33333333333333 0.56383982778732 15.999 > 9 126 O 0.24455765637694 0.66666666666667 0.56383982778732 15.999 > 9 127 O 0.25515185411133 0.16666666666667 0.18976745058179 15.999 > 10 128 O 0.25515185411133 0.50000000000000 0.18976745058179 15.999 > 10 129 O 0.25515185411133 0.83333333333333 0.18976745058179 15.999 > 10 130 O 0.25515185411133 0.16666666666667 0.68976745058179 15.999 > 10 131 O 0.25515185411133 0.50000000000000 0.68976745058179 15.999 > 10 132 O 0.25515185411133 0.83333333333333 0.68976745058179 15.999 > 10 133 O 0.25544234362306 0.16666666666667 0.43616017221268 15.999 > 11 134 O 0.25544234362306 0.50000000000000 0.43616017221268 15.999 > 11 135 O 0.25544234362306 0.83333333333333 0.43616017221268 15.999 > 11 136 O 0.25544234362306 0.16666666666667 0.93616017221268 15.999 > 11 137 O 0.25544234362306 0.50000000000000 0.93616017221268 15.999 > 11 138 O 0.25544234362306 0.83333333333333 0.93616017221268 15.999 > 11 139 O 0.24484814588867 0.00000000000000 0.31023254941821 15.999 > 12 140 O 0.24484814588867 0.33333333333333 0.31023254941821 15.999 > 12 141 O 0.24484814588867 0.66666666666667 0.31023254941821 15.999 > 12 142 O 0.24484814588867 0.00000000000000 0.81023254941821 15.999 > 12 143 O 0.24484814588867 0.33333333333333 0.81023254941821 15.999 > 12 144 O 0.24484814588867 0.66666666666667 0.81023254941821 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4373613 0.0000000 -0.0985982 0.0000000 5.4938688 0.0000000 -0.0985992 0.0000000 5.7799619 -------------------------- Born effective charges -------------------------- 1 Sc 2.7221903 0.0000000 -0.2543269 0.0000000 4.0429069 0.0000000 -0.1416127 0.0000000 4.3245598 2 Sc 2.4250557 0.0000000 0.0139004 0.0000000 3.9437017 0.0000000 -0.1038147 0.0000000 4.4684942 3 Sc 2.7221903 0.0000000 -0.2543269 0.0000000 4.0429069 0.0000000 -0.1416127 0.0000000 4.3245598 4 Sc 2.4250557 0.0000000 0.0139004 0.0000000 3.9437017 0.0000000 -0.1038147 0.0000000 4.4684942 5 I -0.5523700 0.0000000 0.0557637 0.0000000 -1.7320785 0.0000000 0.0474178 0.0000000 -1.3226157 6 I -0.8564706 0.0000000 0.0527013 0.0000000 -0.4757744 0.0000000 0.0609458 0.0000000 -1.5759792 7 I -0.8564706 0.0000000 0.0527013 0.0000000 -0.4757744 0.0000000 0.0609458 0.0000000 -1.5759792 8 I -0.5523700 0.0000000 0.0557637 0.0000000 -1.7320785 0.0000000 0.0474178 0.0000000 -1.3226157 9 O -1.8959422 0.0000000 -0.0687879 0.0000000 -3.0563087 0.0000000 -0.1321090 0.0000000 -3.0001968 10 O -1.8424632 0.0000000 0.2007493 0.0000000 -2.7224470 0.0000000 0.2691726 0.0000000 -2.8942624 11 O -1.8959422 0.0000000 -0.0687879 0.0000000 -3.0563087 0.0000000 -0.1321090 0.0000000 -3.0001968 12 O -1.8424632 0.0000000 0.2007493 0.0000000 -2.7224470 0.0000000 0.2691726 0.0000000 -2.8942624 ---------------------------------------------------------------------------- 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: 2160 Number of blocks in projector: 2160 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.838 Solver_block: 200 / 400 - Time: 0.802 Solver_block: 300 / 400 - Time: 0.808 Solver_block: 400 / 400 - Time: 0.805 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.334 --------------------------------- 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: 2160 Number of blocks in projector: 2160 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 239 eigenvectors found. (2) Block: 576 / 576 (2) 69 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2160, 2131), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 18), data: (576, 29) @ (29, 18) |-- (76, 69), data: True |-- (250, 239), data: True |-- (250, 239), 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 15:11:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:11:44]------------------------- 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): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.757347090191395 -1.917861530000000 0.000000000000000 b 9.757347090191395 1.917861530000000 0.000000000000000 c -0.457945019500589 0.000000000000000 7.147696451808312 Atomic positions (fractional): 1 Sc 0.29858044356142 0.29858044356142 0.88479445385551 44.956 2 Sc 0.70017696780243 0.70017696780243 0.61728124821684 44.956 3 Sc 0.70141955643858 0.70141955643858 0.11520554614449 44.956 4 Sc 0.29982303219757 0.29982303219757 0.38271875178316 44.956 5 I 0.10447954420546 0.10447954420546 0.84933129567328 126.904 6 I 0.41499960934952 0.41499960934952 0.65729545243660 126.904 7 I 0.58500039065048 0.58500039065048 0.34270454756340 126.904 8 I 0.89552045579454 0.89552045579454 0.15066870432672 126.904 9 O 0.24455765637694 0.24455765637694 0.12767965557464 15.999 10 O 0.75515185411133 0.75515185411133 0.37953490116359 15.999 11 O 0.75544234362306 0.75544234362306 0.87232034442536 15.999 12 O 0.24484814588867 0.24484814588867 0.62046509883641 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.514694180382790 0.000000000000000 0.000000000000000 b 0.000000000000000 11.507169180000000 0.000000000000000 c -0.915890039001178 0.000000000000000 14.295392903616625 Atomic positions (fractional): 1 Sc 0.79858044356142 0.16666666666667 0.44239722692775 44.956 > 1 2 Sc 0.79858044356142 0.50000000000000 0.44239722692775 44.956 > 1 3 Sc 0.79858044356142 0.83333333333333 0.44239722692775 44.956 > 1 4 Sc 0.79858044356142 0.16666666666667 0.94239722692775 44.956 > 1 5 Sc 0.79858044356142 0.50000000000000 0.94239722692775 44.956 > 1 6 Sc 0.79858044356142 0.83333333333333 0.94239722692775 44.956 > 1 7 Sc 0.70017696780243 0.00000000000000 0.30864062410842 44.956 > 7 8 Sc 0.70017696780243 0.33333333333333 0.30864062410842 44.956 > 7 9 Sc 0.70017696780243 0.66666666666667 0.30864062410842 44.956 > 7 10 Sc 0.70017696780243 0.00000000000000 0.80864062410842 44.956 > 7 11 Sc 0.70017696780243 0.33333333333333 0.80864062410842 44.956 > 7 12 Sc 0.70017696780243 0.66666666666667 0.80864062410842 44.956 > 7 13 Sc 0.70141955643858 0.00000000000000 0.05760277307225 44.956 > 13 14 Sc 0.70141955643858 0.33333333333333 0.05760277307225 44.956 > 13 15 Sc 0.70141955643858 0.66666666666667 0.05760277307225 44.956 > 13 16 Sc 0.70141955643858 0.00000000000000 0.55760277307225 44.956 > 13 17 Sc 0.70141955643858 0.33333333333333 0.55760277307225 44.956 > 13 18 Sc 0.70141955643858 0.66666666666667 0.55760277307225 44.956 > 13 19 Sc 0.79982303219757 0.16666666666667 0.19135937589158 44.956 > 19 20 Sc 0.79982303219757 0.50000000000000 0.19135937589158 44.956 > 19 21 Sc 0.79982303219757 0.83333333333333 0.19135937589158 44.956 > 19 22 Sc 0.79982303219757 0.16666666666667 0.69135937589158 44.956 > 19 23 Sc 0.79982303219757 0.50000000000000 0.69135937589158 44.956 > 19 24 Sc 0.79982303219757 0.83333333333333 0.69135937589158 44.956 > 19 25 Sc 0.29858044356142 0.00000000000000 0.44239722692775 44.956 > 1 26 Sc 0.29858044356142 0.33333333333333 0.44239722692775 44.956 > 1 27 Sc 0.29858044356142 0.66666666666667 0.44239722692775 44.956 > 1 28 Sc 0.29858044356142 0.00000000000000 0.94239722692775 44.956 > 1 29 Sc 0.29858044356142 0.33333333333333 0.94239722692775 44.956 > 1 30 Sc 0.29858044356142 0.66666666666667 0.94239722692775 44.956 > 1 31 Sc 0.20017696780243 0.16666666666667 0.30864062410842 44.956 > 7 32 Sc 0.20017696780243 0.50000000000000 0.30864062410842 44.956 > 7 33 Sc 0.20017696780243 0.83333333333333 0.30864062410842 44.956 > 7 34 Sc 0.20017696780243 0.16666666666667 0.80864062410842 44.956 > 7 35 Sc 0.20017696780243 0.50000000000000 0.80864062410842 44.956 > 7 36 Sc 0.20017696780243 0.83333333333333 0.80864062410842 44.956 > 7 37 Sc 0.20141955643858 0.16666666666667 0.05760277307225 44.956 > 13 38 Sc 0.20141955643858 0.50000000000000 0.05760277307225 44.956 > 13 39 Sc 0.20141955643858 0.83333333333333 0.05760277307225 44.956 > 13 40 Sc 0.20141955643858 0.16666666666667 0.55760277307225 44.956 > 13 41 Sc 0.20141955643858 0.50000000000000 0.55760277307225 44.956 > 13 42 Sc 0.20141955643858 0.83333333333333 0.55760277307225 44.956 > 13 43 Sc 0.29982303219757 0.00000000000000 0.19135937589158 44.956 > 19 44 Sc 0.29982303219757 0.33333333333333 0.19135937589158 44.956 > 19 45 Sc 0.29982303219757 0.66666666666667 0.19135937589158 44.956 > 19 46 Sc 0.29982303219757 0.00000000000000 0.69135937589158 44.956 > 19 47 Sc 0.29982303219757 0.33333333333333 0.69135937589158 44.956 > 19 48 Sc 0.29982303219757 0.66666666666667 0.69135937589158 44.956 > 19 49 I 0.60447954420546 0.16666666666667 0.42466564783664 126.904 > 49 50 I 0.60447954420546 0.50000000000000 0.42466564783664 126.904 > 49 51 I 0.60447954420546 0.83333333333333 0.42466564783664 126.904 > 49 52 I 0.60447954420546 0.16666666666667 0.92466564783664 126.904 > 49 53 I 0.60447954420546 0.50000000000000 0.92466564783664 126.904 > 49 54 I 0.60447954420546 0.83333333333333 0.92466564783664 126.904 > 49 55 I 0.91499960934952 0.16666666666667 0.32864772621830 126.904 > 55 56 I 0.91499960934952 0.50000000000000 0.32864772621830 126.904 > 55 57 I 0.91499960934952 0.83333333333333 0.32864772621830 126.904 > 55 58 I 0.91499960934952 0.16666666666667 0.82864772621830 126.904 > 55 59 I 0.91499960934952 0.50000000000000 0.82864772621830 126.904 > 55 60 I 0.91499960934952 0.83333333333333 0.82864772621830 126.904 > 55 61 I 0.58500039065048 0.00000000000000 0.17135227378170 126.904 > 61 62 I 0.58500039065048 0.33333333333333 0.17135227378170 126.904 > 61 63 I 0.58500039065048 0.66666666666667 0.17135227378170 126.904 > 61 64 I 0.58500039065048 0.00000000000000 0.67135227378170 126.904 > 61 65 I 0.58500039065048 0.33333333333333 0.67135227378170 126.904 > 61 66 I 0.58500039065048 0.66666666666667 0.67135227378170 126.904 > 61 67 I 0.89552045579454 0.00000000000000 0.07533435216336 126.904 > 67 68 I 0.89552045579454 0.33333333333333 0.07533435216336 126.904 > 67 69 I 0.89552045579454 0.66666666666667 0.07533435216336 126.904 > 67 70 I 0.89552045579454 0.00000000000000 0.57533435216336 126.904 > 67 71 I 0.89552045579454 0.33333333333333 0.57533435216336 126.904 > 67 72 I 0.89552045579454 0.66666666666667 0.57533435216336 126.904 > 67 73 I 0.10447954420546 0.00000000000000 0.42466564783664 126.904 > 49 74 I 0.10447954420546 0.33333333333333 0.42466564783664 126.904 > 49 75 I 0.10447954420546 0.66666666666667 0.42466564783664 126.904 > 49 76 I 0.10447954420546 0.00000000000000 0.92466564783664 126.904 > 49 77 I 0.10447954420546 0.33333333333333 0.92466564783664 126.904 > 49 78 I 0.10447954420546 0.66666666666667 0.92466564783664 126.904 > 49 79 I 0.41499960934952 0.00000000000000 0.32864772621830 126.904 > 55 80 I 0.41499960934952 0.33333333333333 0.32864772621830 126.904 > 55 81 I 0.41499960934952 0.66666666666667 0.32864772621830 126.904 > 55 82 I 0.41499960934952 0.00000000000000 0.82864772621830 126.904 > 55 83 I 0.41499960934952 0.33333333333333 0.82864772621830 126.904 > 55 84 I 0.41499960934952 0.66666666666667 0.82864772621830 126.904 > 55 85 I 0.08500039065048 0.16666666666667 0.17135227378170 126.904 > 61 86 I 0.08500039065048 0.50000000000000 0.17135227378170 126.904 > 61 87 I 0.08500039065048 0.83333333333333 0.17135227378170 126.904 > 61 88 I 0.08500039065048 0.16666666666667 0.67135227378170 126.904 > 61 89 I 0.08500039065048 0.50000000000000 0.67135227378170 126.904 > 61 90 I 0.08500039065048 0.83333333333333 0.67135227378170 126.904 > 61 91 I 0.39552045579454 0.16666666666667 0.07533435216336 126.904 > 67 92 I 0.39552045579454 0.50000000000000 0.07533435216336 126.904 > 67 93 I 0.39552045579454 0.83333333333333 0.07533435216336 126.904 > 67 94 I 0.39552045579454 0.16666666666667 0.57533435216336 126.904 > 67 95 I 0.39552045579454 0.50000000000000 0.57533435216336 126.904 > 67 96 I 0.39552045579454 0.83333333333333 0.57533435216336 126.904 > 67 97 O 0.74455765637694 0.16666666666667 0.06383982778732 15.999 > 97 98 O 0.74455765637694 0.50000000000000 0.06383982778732 15.999 > 97 99 O 0.74455765637694 0.83333333333333 0.06383982778732 15.999 > 97 100 O 0.74455765637694 0.16666666666667 0.56383982778732 15.999 > 97 101 O 0.74455765637694 0.50000000000000 0.56383982778732 15.999 > 97 102 O 0.74455765637694 0.83333333333333 0.56383982778732 15.999 > 97 103 O 0.75515185411133 0.00000000000000 0.18976745058179 15.999 > 103 104 O 0.75515185411133 0.33333333333333 0.18976745058179 15.999 > 103 105 O 0.75515185411133 0.66666666666667 0.18976745058179 15.999 > 103 106 O 0.75515185411133 0.00000000000000 0.68976745058179 15.999 > 103 107 O 0.75515185411133 0.33333333333333 0.68976745058179 15.999 > 103 108 O 0.75515185411133 0.66666666666667 0.68976745058179 15.999 > 103 109 O 0.75544234362306 0.00000000000000 0.43616017221268 15.999 > 109 110 O 0.75544234362306 0.33333333333333 0.43616017221268 15.999 > 109 111 O 0.75544234362306 0.66666666666667 0.43616017221268 15.999 > 109 112 O 0.75544234362306 0.00000000000000 0.93616017221268 15.999 > 109 113 O 0.75544234362306 0.33333333333333 0.93616017221268 15.999 > 109 114 O 0.75544234362306 0.66666666666667 0.93616017221268 15.999 > 109 115 O 0.74484814588867 0.16666666666667 0.31023254941821 15.999 > 115 116 O 0.74484814588867 0.50000000000000 0.31023254941821 15.999 > 115 117 O 0.74484814588867 0.83333333333333 0.31023254941821 15.999 > 115 118 O 0.74484814588867 0.16666666666667 0.81023254941821 15.999 > 115 119 O 0.74484814588867 0.50000000000000 0.81023254941821 15.999 > 115 120 O 0.74484814588867 0.83333333333333 0.81023254941821 15.999 > 115 121 O 0.24455765637694 0.00000000000000 0.06383982778732 15.999 > 97 122 O 0.24455765637694 0.33333333333333 0.06383982778732 15.999 > 97 123 O 0.24455765637694 0.66666666666667 0.06383982778732 15.999 > 97 124 O 0.24455765637694 0.00000000000000 0.56383982778732 15.999 > 97 125 O 0.24455765637694 0.33333333333333 0.56383982778732 15.999 > 97 126 O 0.24455765637694 0.66666666666667 0.56383982778732 15.999 > 97 127 O 0.25515185411133 0.16666666666667 0.18976745058179 15.999 > 103 128 O 0.25515185411133 0.50000000000000 0.18976745058179 15.999 > 103 129 O 0.25515185411133 0.83333333333333 0.18976745058179 15.999 > 103 130 O 0.25515185411133 0.16666666666667 0.68976745058179 15.999 > 103 131 O 0.25515185411133 0.50000000000000 0.68976745058179 15.999 > 103 132 O 0.25515185411133 0.83333333333333 0.68976745058179 15.999 > 103 133 O 0.25544234362306 0.16666666666667 0.43616017221268 15.999 > 109 134 O 0.25544234362306 0.50000000000000 0.43616017221268 15.999 > 109 135 O 0.25544234362306 0.83333333333333 0.43616017221268 15.999 > 109 136 O 0.25544234362306 0.16666666666667 0.93616017221268 15.999 > 109 137 O 0.25544234362306 0.50000000000000 0.93616017221268 15.999 > 109 138 O 0.25544234362306 0.83333333333333 0.93616017221268 15.999 > 109 139 O 0.24484814588867 0.00000000000000 0.31023254941821 15.999 > 115 140 O 0.24484814588867 0.33333333333333 0.31023254941821 15.999 > 115 141 O 0.24484814588867 0.66666666666667 0.31023254941821 15.999 > 115 142 O 0.24484814588867 0.00000000000000 0.81023254941821 15.999 > 115 143 O 0.24484814588867 0.33333333333333 0.81023254941821 15.999 > 115 144 O 0.24484814588867 0.66666666666667 0.81023254941821 15.999 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4373613 0.0000000 -0.0985982 0.0000000 5.4938688 0.0000000 -0.0985992 0.0000000 5.7799619 -------------------------- Born effective charges -------------------------- 1 Sc 2.7221903 0.0000000 -0.2543269 0.0000000 4.0429069 0.0000000 -0.1416127 0.0000000 4.3245598 2 Sc 2.4250557 0.0000000 0.0139004 0.0000000 3.9437017 0.0000000 -0.1038147 0.0000000 4.4684942 3 Sc 2.7221903 0.0000000 -0.2543269 0.0000000 4.0429069 0.0000000 -0.1416127 0.0000000 4.3245598 4 Sc 2.4250557 0.0000000 0.0139004 0.0000000 3.9437017 0.0000000 -0.1038147 0.0000000 4.4684942 5 I -0.5523700 0.0000000 0.0557637 0.0000000 -1.7320785 0.0000000 0.0474178 0.0000000 -1.3226157 6 I -0.8564706 0.0000000 0.0527013 0.0000000 -0.4757744 0.0000000 0.0609458 0.0000000 -1.5759792 7 I -0.8564706 0.0000000 0.0527013 0.0000000 -0.4757744 0.0000000 0.0609458 0.0000000 -1.5759792 8 I -0.5523700 0.0000000 0.0557637 0.0000000 -1.7320785 0.0000000 0.0474178 0.0000000 -1.3226157 9 O -1.8959422 0.0000000 -0.0687879 0.0000000 -3.0563087 0.0000000 -0.1321090 0.0000000 -3.0001968 10 O -1.8424632 0.0000000 0.2007493 0.0000000 -2.7224470 0.0000000 0.2691726 0.0000000 -2.8942624 11 O -1.8959422 0.0000000 -0.0687879 0.0000000 -3.0563087 0.0000000 -0.1321090 0.0000000 -3.0001968 12 O -1.8424632 0.0000000 0.2007493 0.0000000 -2.7224470 0.0000000 0.2691726 0.0000000 -2.8942624 ---------------------------------------------------------------------------- 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 7, 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] [-0.0006 0.0000 0.0100] [ 0.0006 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 55, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Computing fc3[ 103, 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] [-0.0006 0.0000 0.0100] [ 0.0006 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:12:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:12:13]------------------------- 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): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.757347090191395 -1.917861530000000 0.000000000000000 b 9.757347090191395 1.917861530000000 0.000000000000000 c -0.457945019500589 0.000000000000000 7.147696451808312 Atomic positions (fractional): 1 Sc 0.29858044356142 0.29858044356142 0.88479445385551 44.956 2 Sc 0.70017696780243 0.70017696780243 0.61728124821684 44.956 3 Sc 0.70141955643858 0.70141955643858 0.11520554614449 44.956 4 Sc 0.29982303219757 0.29982303219757 0.38271875178316 44.956 5 I 0.10447954420546 0.10447954420546 0.84933129567328 126.904 6 I 0.41499960934952 0.41499960934952 0.65729545243660 126.904 7 I 0.58500039065048 0.58500039065048 0.34270454756340 126.904 8 I 0.89552045579454 0.89552045579454 0.15066870432672 126.904 9 O 0.24455765637694 0.24455765637694 0.12767965557464 15.999 10 O 0.75515185411133 0.75515185411133 0.37953490116359 15.999 11 O 0.75544234362306 0.75544234362306 0.87232034442536 15.999 12 O 0.24484814588867 0.24484814588867 0.62046509883641 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.514694180382790 0.000000000000000 0.000000000000000 b 0.000000000000000 11.507169180000000 0.000000000000000 c -0.915890039001178 0.000000000000000 14.295392903616625 Atomic positions (fractional): 1 Sc 0.79858044356142 0.16666666666667 0.44239722692775 44.956 > 1 2 Sc 0.79858044356142 0.50000000000000 0.44239722692775 44.956 > 1 3 Sc 0.79858044356142 0.83333333333333 0.44239722692775 44.956 > 1 4 Sc 0.79858044356142 0.16666666666667 0.94239722692775 44.956 > 1 5 Sc 0.79858044356142 0.50000000000000 0.94239722692775 44.956 > 1 6 Sc 0.79858044356142 0.83333333333333 0.94239722692775 44.956 > 1 7 Sc 0.70017696780243 0.00000000000000 0.30864062410842 44.956 > 7 8 Sc 0.70017696780243 0.33333333333333 0.30864062410842 44.956 > 7 9 Sc 0.70017696780243 0.66666666666667 0.30864062410842 44.956 > 7 10 Sc 0.70017696780243 0.00000000000000 0.80864062410842 44.956 > 7 11 Sc 0.70017696780243 0.33333333333333 0.80864062410842 44.956 > 7 12 Sc 0.70017696780243 0.66666666666667 0.80864062410842 44.956 > 7 13 Sc 0.70141955643858 0.00000000000000 0.05760277307225 44.956 > 13 14 Sc 0.70141955643858 0.33333333333333 0.05760277307225 44.956 > 13 15 Sc 0.70141955643858 0.66666666666667 0.05760277307225 44.956 > 13 16 Sc 0.70141955643858 0.00000000000000 0.55760277307225 44.956 > 13 17 Sc 0.70141955643858 0.33333333333333 0.55760277307225 44.956 > 13 18 Sc 0.70141955643858 0.66666666666667 0.55760277307225 44.956 > 13 19 Sc 0.79982303219757 0.16666666666667 0.19135937589158 44.956 > 19 20 Sc 0.79982303219757 0.50000000000000 0.19135937589158 44.956 > 19 21 Sc 0.79982303219757 0.83333333333333 0.19135937589158 44.956 > 19 22 Sc 0.79982303219757 0.16666666666667 0.69135937589158 44.956 > 19 23 Sc 0.79982303219757 0.50000000000000 0.69135937589158 44.956 > 19 24 Sc 0.79982303219757 0.83333333333333 0.69135937589158 44.956 > 19 25 Sc 0.29858044356142 0.00000000000000 0.44239722692775 44.956 > 1 26 Sc 0.29858044356142 0.33333333333333 0.44239722692775 44.956 > 1 27 Sc 0.29858044356142 0.66666666666667 0.44239722692775 44.956 > 1 28 Sc 0.29858044356142 0.00000000000000 0.94239722692775 44.956 > 1 29 Sc 0.29858044356142 0.33333333333333 0.94239722692775 44.956 > 1 30 Sc 0.29858044356142 0.66666666666667 0.94239722692775 44.956 > 1 31 Sc 0.20017696780243 0.16666666666667 0.30864062410842 44.956 > 7 32 Sc 0.20017696780243 0.50000000000000 0.30864062410842 44.956 > 7 33 Sc 0.20017696780243 0.83333333333333 0.30864062410842 44.956 > 7 34 Sc 0.20017696780243 0.16666666666667 0.80864062410842 44.956 > 7 35 Sc 0.20017696780243 0.50000000000000 0.80864062410842 44.956 > 7 36 Sc 0.20017696780243 0.83333333333333 0.80864062410842 44.956 > 7 37 Sc 0.20141955643858 0.16666666666667 0.05760277307225 44.956 > 13 38 Sc 0.20141955643858 0.50000000000000 0.05760277307225 44.956 > 13 39 Sc 0.20141955643858 0.83333333333333 0.05760277307225 44.956 > 13 40 Sc 0.20141955643858 0.16666666666667 0.55760277307225 44.956 > 13 41 Sc 0.20141955643858 0.50000000000000 0.55760277307225 44.956 > 13 42 Sc 0.20141955643858 0.83333333333333 0.55760277307225 44.956 > 13 43 Sc 0.29982303219757 0.00000000000000 0.19135937589158 44.956 > 19 44 Sc 0.29982303219757 0.33333333333333 0.19135937589158 44.956 > 19 45 Sc 0.29982303219757 0.66666666666667 0.19135937589158 44.956 > 19 46 Sc 0.29982303219757 0.00000000000000 0.69135937589158 44.956 > 19 47 Sc 0.29982303219757 0.33333333333333 0.69135937589158 44.956 > 19 48 Sc 0.29982303219757 0.66666666666667 0.69135937589158 44.956 > 19 49 I 0.60447954420546 0.16666666666667 0.42466564783664 126.904 > 49 50 I 0.60447954420546 0.50000000000000 0.42466564783664 126.904 > 49 51 I 0.60447954420546 0.83333333333333 0.42466564783664 126.904 > 49 52 I 0.60447954420546 0.16666666666667 0.92466564783664 126.904 > 49 53 I 0.60447954420546 0.50000000000000 0.92466564783664 126.904 > 49 54 I 0.60447954420546 0.83333333333333 0.92466564783664 126.904 > 49 55 I 0.91499960934952 0.16666666666667 0.32864772621830 126.904 > 55 56 I 0.91499960934952 0.50000000000000 0.32864772621830 126.904 > 55 57 I 0.91499960934952 0.83333333333333 0.32864772621830 126.904 > 55 58 I 0.91499960934952 0.16666666666667 0.82864772621830 126.904 > 55 59 I 0.91499960934952 0.50000000000000 0.82864772621830 126.904 > 55 60 I 0.91499960934952 0.83333333333333 0.82864772621830 126.904 > 55 61 I 0.58500039065048 0.00000000000000 0.17135227378170 126.904 > 61 62 I 0.58500039065048 0.33333333333333 0.17135227378170 126.904 > 61 63 I 0.58500039065048 0.66666666666667 0.17135227378170 126.904 > 61 64 I 0.58500039065048 0.00000000000000 0.67135227378170 126.904 > 61 65 I 0.58500039065048 0.33333333333333 0.67135227378170 126.904 > 61 66 I 0.58500039065048 0.66666666666667 0.67135227378170 126.904 > 61 67 I 0.89552045579454 0.00000000000000 0.07533435216336 126.904 > 67 68 I 0.89552045579454 0.33333333333333 0.07533435216336 126.904 > 67 69 I 0.89552045579454 0.66666666666667 0.07533435216336 126.904 > 67 70 I 0.89552045579454 0.00000000000000 0.57533435216336 126.904 > 67 71 I 0.89552045579454 0.33333333333333 0.57533435216336 126.904 > 67 72 I 0.89552045579454 0.66666666666667 0.57533435216336 126.904 > 67 73 I 0.10447954420546 0.00000000000000 0.42466564783664 126.904 > 49 74 I 0.10447954420546 0.33333333333333 0.42466564783664 126.904 > 49 75 I 0.10447954420546 0.66666666666667 0.42466564783664 126.904 > 49 76 I 0.10447954420546 0.00000000000000 0.92466564783664 126.904 > 49 77 I 0.10447954420546 0.33333333333333 0.92466564783664 126.904 > 49 78 I 0.10447954420546 0.66666666666667 0.92466564783664 126.904 > 49 79 I 0.41499960934952 0.00000000000000 0.32864772621830 126.904 > 55 80 I 0.41499960934952 0.33333333333333 0.32864772621830 126.904 > 55 81 I 0.41499960934952 0.66666666666667 0.32864772621830 126.904 > 55 82 I 0.41499960934952 0.00000000000000 0.82864772621830 126.904 > 55 83 I 0.41499960934952 0.33333333333333 0.82864772621830 126.904 > 55 84 I 0.41499960934952 0.66666666666667 0.82864772621830 126.904 > 55 85 I 0.08500039065048 0.16666666666667 0.17135227378170 126.904 > 61 86 I 0.08500039065048 0.50000000000000 0.17135227378170 126.904 > 61 87 I 0.08500039065048 0.83333333333333 0.17135227378170 126.904 > 61 88 I 0.08500039065048 0.16666666666667 0.67135227378170 126.904 > 61 89 I 0.08500039065048 0.50000000000000 0.67135227378170 126.904 > 61 90 I 0.08500039065048 0.83333333333333 0.67135227378170 126.904 > 61 91 I 0.39552045579454 0.16666666666667 0.07533435216336 126.904 > 67 92 I 0.39552045579454 0.50000000000000 0.07533435216336 126.904 > 67 93 I 0.39552045579454 0.83333333333333 0.07533435216336 126.904 > 67 94 I 0.39552045579454 0.16666666666667 0.57533435216336 126.904 > 67 95 I 0.39552045579454 0.50000000000000 0.57533435216336 126.904 > 67 96 I 0.39552045579454 0.83333333333333 0.57533435216336 126.904 > 67 97 O 0.74455765637694 0.16666666666667 0.06383982778732 15.999 > 97 98 O 0.74455765637694 0.50000000000000 0.06383982778732 15.999 > 97 99 O 0.74455765637694 0.83333333333333 0.06383982778732 15.999 > 97 100 O 0.74455765637694 0.16666666666667 0.56383982778732 15.999 > 97 101 O 0.74455765637694 0.50000000000000 0.56383982778732 15.999 > 97 102 O 0.74455765637694 0.83333333333333 0.56383982778732 15.999 > 97 103 O 0.75515185411133 0.00000000000000 0.18976745058179 15.999 > 103 104 O 0.75515185411133 0.33333333333333 0.18976745058179 15.999 > 103 105 O 0.75515185411133 0.66666666666667 0.18976745058179 15.999 > 103 106 O 0.75515185411133 0.00000000000000 0.68976745058179 15.999 > 103 107 O 0.75515185411133 0.33333333333333 0.68976745058179 15.999 > 103 108 O 0.75515185411133 0.66666666666667 0.68976745058179 15.999 > 103 109 O 0.75544234362306 0.00000000000000 0.43616017221268 15.999 > 109 110 O 0.75544234362306 0.33333333333333 0.43616017221268 15.999 > 109 111 O 0.75544234362306 0.66666666666667 0.43616017221268 15.999 > 109 112 O 0.75544234362306 0.00000000000000 0.93616017221268 15.999 > 109 113 O 0.75544234362306 0.33333333333333 0.93616017221268 15.999 > 109 114 O 0.75544234362306 0.66666666666667 0.93616017221268 15.999 > 109 115 O 0.74484814588867 0.16666666666667 0.31023254941821 15.999 > 115 116 O 0.74484814588867 0.50000000000000 0.31023254941821 15.999 > 115 117 O 0.74484814588867 0.83333333333333 0.31023254941821 15.999 > 115 118 O 0.74484814588867 0.16666666666667 0.81023254941821 15.999 > 115 119 O 0.74484814588867 0.50000000000000 0.81023254941821 15.999 > 115 120 O 0.74484814588867 0.83333333333333 0.81023254941821 15.999 > 115 121 O 0.24455765637694 0.00000000000000 0.06383982778732 15.999 > 97 122 O 0.24455765637694 0.33333333333333 0.06383982778732 15.999 > 97 123 O 0.24455765637694 0.66666666666667 0.06383982778732 15.999 > 97 124 O 0.24455765637694 0.00000000000000 0.56383982778732 15.999 > 97 125 O 0.24455765637694 0.33333333333333 0.56383982778732 15.999 > 97 126 O 0.24455765637694 0.66666666666667 0.56383982778732 15.999 > 97 127 O 0.25515185411133 0.16666666666667 0.18976745058179 15.999 > 103 128 O 0.25515185411133 0.50000000000000 0.18976745058179 15.999 > 103 129 O 0.25515185411133 0.83333333333333 0.18976745058179 15.999 > 103 130 O 0.25515185411133 0.16666666666667 0.68976745058179 15.999 > 103 131 O 0.25515185411133 0.50000000000000 0.68976745058179 15.999 > 103 132 O 0.25515185411133 0.83333333333333 0.68976745058179 15.999 > 103 133 O 0.25544234362306 0.16666666666667 0.43616017221268 15.999 > 109 134 O 0.25544234362306 0.50000000000000 0.43616017221268 15.999 > 109 135 O 0.25544234362306 0.83333333333333 0.43616017221268 15.999 > 109 136 O 0.25544234362306 0.16666666666667 0.93616017221268 15.999 > 109 137 O 0.25544234362306 0.50000000000000 0.93616017221268 15.999 > 109 138 O 0.25544234362306 0.83333333333333 0.93616017221268 15.999 > 109 139 O 0.24484814588867 0.00000000000000 0.31023254941821 15.999 > 115 140 O 0.24484814588867 0.33333333333333 0.31023254941821 15.999 > 115 141 O 0.24484814588867 0.66666666666667 0.31023254941821 15.999 > 115 142 O 0.24484814588867 0.00000000000000 0.81023254941821 15.999 > 115 143 O 0.24484814588867 0.33333333333333 0.81023254941821 15.999 > 115 144 O 0.24484814588867 0.66666666666667 0.81023254941821 15.999 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4373613 0.0000000 -0.0985982 0.0000000 5.4938688 0.0000000 -0.0985992 0.0000000 5.7799619 -------------------------- Born effective charges -------------------------- 1 Sc 2.7221903 0.0000000 -0.2543269 0.0000000 4.0429069 0.0000000 -0.1416127 0.0000000 4.3245598 2 Sc 2.4250557 0.0000000 0.0139004 0.0000000 3.9437017 0.0000000 -0.1038147 0.0000000 4.4684942 3 Sc 2.7221903 0.0000000 -0.2543269 0.0000000 4.0429069 0.0000000 -0.1416127 0.0000000 4.3245598 4 Sc 2.4250557 0.0000000 0.0139004 0.0000000 3.9437017 0.0000000 -0.1038147 0.0000000 4.4684942 5 I -0.5523700 0.0000000 0.0557637 0.0000000 -1.7320785 0.0000000 0.0474178 0.0000000 -1.3226157 6 I -0.8564706 0.0000000 0.0527013 0.0000000 -0.4757744 0.0000000 0.0609458 0.0000000 -1.5759792 7 I -0.8564706 0.0000000 0.0527013 0.0000000 -0.4757744 0.0000000 0.0609458 0.0000000 -1.5759792 8 I -0.5523700 0.0000000 0.0557637 0.0000000 -1.7320785 0.0000000 0.0474178 0.0000000 -1.3226157 9 O -1.8959422 0.0000000 -0.0687879 0.0000000 -3.0563087 0.0000000 -0.1321090 0.0000000 -3.0001968 10 O -1.8424632 0.0000000 0.2007493 0.0000000 -2.7224470 0.0000000 0.2691726 0.0000000 -2.8942624 11 O -1.8959422 0.0000000 -0.0687879 0.0000000 -3.0563087 0.0000000 -0.1321090 0.0000000 -3.0001968 12 O -1.8424632 0.0000000 0.2007493 0.0000000 -2.7224470 0.0000000 0.2691726 0.0000000 -2.8942624 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (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 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/322) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 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 0.666 ( 0.000 0.000 0.000) 0.000 0.977 ( 0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 0.000) 0.000 1.442 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 2.261 ( 0.000 0.000 0.000) 0.000 2.561 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.535 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 0.000 0.000) 0.000 9.927 ( 0.000 0.000 0.000) 0.000 10.055 ( 0.000 0.000 0.000) 0.000 10.422 ( 0.000 0.000 0.000) 0.000 10.631 ( 0.000 0.000 0.000) 0.000 11.090 ( 0.000 0.000 0.000) 0.000 11.664 ( 0.000 0.000 0.000) 0.000 11.848 ( 0.000 0.000 0.000) 0.000 13.076 ( 0.000 0.000 0.000) 0.000 14.341 ( 0.000 0.000 0.000) 0.000 14.364 ( 0.000 0.000 0.000) 0.000 15.816 ( 0.000 0.000 0.000) 0.000 16.086 ( 0.000 0.000 0.000) 0.000 16.569 ( 0.000 0.000 0.000) 0.000 16.736 ( 0.000 0.000 0.000) 0.000 16.791 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/322) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.186 ( 6.802 -12.121 -0.307) 13.903 0.639 ( 0.608 -27.733 -0.341) 27.741 0.860 ( -0.218 -31.227 0.267) 31.229 0.908 ( 0.001 -20.328 -0.114) 20.329 1.405 ( -0.647 -22.104 -0.212) 22.115 1.449 ( 0.373 -12.305 0.711) 12.332 1.464 ( 0.084 -5.268 -0.769) 5.324 2.313 ( -5.542 -23.497 -1.851) 24.213 2.343 ( -0.101 -6.269 0.289) 6.277 2.555 ( -0.228 0.270 0.573) 0.673 2.740 ( 0.267 -8.994 -0.319) 9.004 2.892 ( -0.354 -3.288 0.746) 3.390 3.044 ( -0.277 0.594 0.021) 0.656 3.251 ( -1.566 -8.261 0.031) 8.408 4.873 ( 0.047 1.339 0.213) 1.357 5.177 ( -0.201 7.177 -0.007) 7.180 5.649 ( 1.585 8.255 -0.073) 8.406 5.675 ( -0.012 -12.044 0.012) 12.044 5.788 ( -0.016 -17.454 -0.108) 17.455 6.817 ( -0.061 -0.236 0.217) 0.326 6.962 ( 0.813 -28.101 0.086) 28.113 9.869 ( -0.644 5.930 -0.062) 5.965 10.092 ( -0.425 -3.873 -0.129) 3.898 10.417 ( -0.068 -0.166 0.021) 0.181 10.587 ( -0.317 3.668 -0.026) 3.682 11.066 ( -0.149 2.420 -0.253) 2.437 11.786 ( -0.092 6.003 -0.204) 6.007 13.075 ( 0.008 0.263 0.027) 0.265 13.802 ( -3.109 32.903 4.529) 33.358 13.892 ( 0.510 38.219 -4.642) 38.503 15.457 ( -91.299 -24.107 -7.783) 94.748 16.029 ( 47.641 16.097 5.530) 50.590 16.193 ( 0.797 -1.495 -1.169) 2.059 16.616 ( 0.057 -11.858 0.088) 11.858 16.791 ( 0.129 -23.730 0.257) 23.731 17.187 ( 17.917 -13.362 1.906) 22.432 ======================= Grid point 2 (3/322) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 4.360 -18.950 0.014) 19.445 1.084 ( 0.791 -16.632 -0.156) 16.651 1.362 ( -0.060 -23.461 0.441) 23.465 1.381 ( -0.120 -23.408 0.064) 23.409 1.497 ( -0.412 -2.841 -0.595) 2.932 1.773 ( 0.155 -18.144 -0.121) 18.146 1.868 ( -0.329 -19.165 0.205) 19.169 2.421 ( -0.000 -1.261 -0.858) 1.525 2.520 ( -0.514 0.818 0.745) 1.220 2.672 ( -0.748 -7.075 -0.116) 7.116 2.950 ( -0.577 -0.547 3.165) 3.263 2.957 ( 0.653 -1.716 -4.370) 4.740 3.175 ( -0.064 -23.241 0.073) 23.241 3.761 ( -3.723 -43.532 0.502) 43.694 4.900 ( -0.050 -5.014 0.502) 5.040 5.068 ( -0.116 3.869 -0.055) 3.871 5.514 ( 0.567 4.558 -0.396) 4.610 5.940 ( -0.015 -12.610 0.199) 12.612 6.168 ( 0.055 -19.498 -0.314) 19.500 6.835 ( -0.061 -1.964 0.257) 1.981 7.651 ( 1.025 -38.048 0.038) 38.062 9.687 ( -0.945 11.085 -0.275) 11.128 10.207 ( -0.557 -7.560 -0.038) 7.581 10.446 ( -0.016 -1.107 -0.217) 1.128 10.513 ( 0.099 1.736 0.274) 1.760 10.987 ( -0.171 5.442 -0.246) 5.451 11.617 ( -0.106 10.342 -0.193) 10.345 12.892 ( 0.069 33.037 0.176) 33.038 13.039 ( -0.093 39.390 0.947) 39.401 13.242 ( 0.149 8.632 -0.641) 8.657 15.157 ( -0.923 33.522 -0.943) 33.548 16.089 ( -3.535 0.328 -1.300) 3.781 16.146 ( -10.304 -12.767 1.097) 16.443 16.971 ( 2.413 -13.937 0.091) 14.145 17.376 ( 0.247 -30.590 0.470) 30.595 17.559 ( 2.857 -20.974 0.338) 21.170 ======================= Grid point 3 (4/322) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 3.107 -22.125 0.088) 22.342 1.347 ( 0.792 -10.195 -0.046) 10.226 1.561 ( -0.571 -3.733 0.101) 3.778 1.815 ( 0.055 -21.104 -0.263) 21.106 1.821 ( 0.046 -20.381 0.126) 20.382 2.134 ( 0.406 -16.889 -0.578) 16.904 2.209 ( -0.293 -14.929 1.102) 14.973 2.420 ( 0.200 0.812 -1.621) 1.824 2.492 ( -0.698 1.371 1.341) 2.041 2.736 ( -0.644 -1.314 -0.158) 1.472 2.911 ( -0.602 3.219 -0.103) 3.277 2.928 ( 0.220 2.853 -0.065) 2.863 3.771 ( 0.234 -32.179 -0.639) 32.186 4.604 ( -2.053 -33.039 0.347) 33.105 5.005 ( 0.205 2.628 0.507) 2.685 5.141 ( -1.346 -22.034 0.388) 22.078 5.502 ( 0.180 -3.734 -1.077) 3.890 6.128 ( -0.027 -5.520 0.411) 5.535 6.541 ( 0.111 -17.084 -0.506) 17.092 6.909 ( 0.031 -5.483 0.106) 5.484 8.426 ( 0.661 -37.412 -0.122) 37.418 9.470 ( -0.461 8.790 -0.178) 8.804 10.356 ( 0.004 7.804 1.101) 7.881 10.364 ( -0.179 -6.631 -1.419) 6.784 10.594 ( 0.028 -5.897 0.350) 5.908 10.856 ( -0.027 6.764 -0.025) 6.764 11.404 ( -0.057 9.637 0.014) 9.637 12.085 ( 0.201 39.654 0.231) 39.655 12.311 ( 0.341 31.476 0.257) 31.479 13.295 ( 0.148 -7.576 0.208) 7.581 14.393 ( 4.439 40.343 -0.019) 40.586 15.876 ( -0.040 13.764 -0.212) 13.766 16.506 ( -9.910 -18.290 -0.339) 20.804 17.125 ( 1.439 -1.969 0.160) 2.444 17.946 ( 0.170 -25.386 0.439) 25.391 18.020 ( 0.726 -22.431 0.129) 22.444 ======================= Grid point 4 (5/322) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 2.315 -21.778 -0.317) 21.903 1.525 ( 0.563 -7.844 0.231) 7.868 1.638 ( -0.523 -4.093 0.017) 4.126 2.188 ( 0.122 -15.891 0.222) 15.893 2.194 ( 0.012 -16.377 -0.262) 16.380 2.359 ( 0.746 0.047 -0.115) 0.757 2.393 ( -0.478 -1.458 -0.537) 1.625 2.477 ( 0.490 -10.190 1.742) 10.350 2.528 ( -0.665 -8.519 -0.372) 8.553 2.747 ( -0.709 -0.296 -0.210) 0.797 2.822 ( -0.321 5.383 0.255) 5.398 2.871 ( -0.379 2.512 -0.365) 2.566 4.400 ( 0.299 -29.600 -0.343) 29.603 4.970 ( 0.229 0.358 0.015) 0.425 5.021 ( -0.295 -13.812 0.606) 13.828 5.650 ( -1.872 -16.009 8.536) 18.239 5.687 ( -0.136 -19.539 -9.145) 21.573 6.172 ( -0.257 -0.111 0.275) 0.392 6.841 ( 0.143 -12.666 -0.448) 12.675 7.037 ( 0.109 -6.440 0.039) 6.441 9.108 ( 0.188 -29.493 -0.263) 29.495 9.379 ( 0.024 -0.435 -0.066) 0.440 10.153 ( -0.006 11.790 -0.245) 11.792 10.371 ( 0.049 6.864 0.006) 6.864 10.651 ( -0.181 2.163 -0.439) 2.214 10.742 ( -0.006 7.745 0.875) 7.794 11.267 ( -0.168 3.992 0.249) 4.004 11.441 ( 0.579 20.264 -0.346) 20.276 11.863 ( 0.298 10.995 0.744) 11.024 13.441 ( 1.598 5.192 0.493) 5.455 13.700 ( 2.306 17.483 -0.047) 17.635 15.558 ( -0.024 17.712 -0.184) 17.713 16.750 ( -5.278 -9.031 -0.251) 10.463 17.106 ( 0.692 3.537 0.200) 3.610 18.381 ( 0.064 -17.822 0.192) 17.823 18.418 ( 0.529 -16.504 0.221) 16.514 ======================= Grid point 5 (6/322) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 0.686 -5.612 -0.236) 5.659 1.714 ( -0.431 -3.414 0.152) 3.444 1.850 ( 1.258 -19.472 -0.444) 19.518 2.314 ( 0.094 2.672 -0.113) 2.676 2.358 ( -0.148 2.064 0.497) 2.128 2.453 ( 0.332 -9.528 0.389) 9.541 2.469 ( 0.019 -10.099 -0.174) 10.100 2.656 ( 0.039 -0.458 0.779) 0.904 2.681 ( 0.874 -4.582 0.855) 4.742 2.728 ( -0.740 -2.036 -0.675) 2.269 2.748 ( -0.785 -0.217 -0.292) 0.866 2.832 ( -0.606 0.888 -0.425) 1.156 4.921 ( 0.164 -18.296 0.140) 18.298 5.029 ( 0.077 -10.109 -0.391) 10.117 5.223 ( 0.003 -5.771 0.608) 5.803 5.881 ( -1.148 1.136 3.229) 3.611 5.944 ( 1.483 -13.266 -2.933) 13.667 6.226 ( -1.704 -6.531 -0.765) 6.793 7.047 ( 0.211 -7.852 -0.186) 7.857 7.143 ( 0.016 -3.809 0.136) 3.811 9.469 ( -0.020 -6.879 -0.083) 6.879 9.573 ( 0.036 -16.018 -0.239) 16.019 9.942 ( -0.249 7.178 -0.215) 7.185 10.175 ( 0.142 10.796 0.073) 10.797 10.419 ( 0.373 19.296 -1.803) 19.384 10.484 ( -0.298 12.780 1.974) 12.935 11.249 ( -0.217 -2.687 0.083) 2.698 11.335 ( 0.657 -3.443 -0.032) 3.505 11.869 ( -0.523 -8.595 0.567) 8.629 12.928 ( 3.339 28.541 0.539) 28.741 13.898 ( 0.197 -18.356 0.013) 18.357 15.173 ( -0.044 20.523 -0.158) 20.524 16.845 ( -3.104 -2.906 -0.218) 4.257 17.015 ( 0.639 5.215 0.240) 5.260 18.662 ( -0.058 -10.292 -0.062) 10.293 18.680 ( 0.458 -9.449 0.308) 9.465 ======================= Grid point 6 (7/322) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.396 -2.762 -0.093) 2.791 1.760 ( -0.312 -0.969 0.078) 1.021 2.199 ( 0.580 -14.198 -1.916) 14.339 2.268 ( -0.187 1.117 0.619) 1.291 2.324 ( 0.481 0.779 1.462) 1.725 2.469 ( -0.379 9.350 0.078) 9.359 2.600 ( -0.186 -3.063 -0.014) 3.069 2.622 ( 0.182 -2.463 0.174) 2.475 2.750 ( 0.558 -0.557 -0.155) 0.803 2.753 ( -0.493 -0.823 0.146) 0.970 2.807 ( 0.041 -2.323 -0.160) 2.329 2.839 ( -0.501 -1.169 -0.096) 1.276 5.104 ( -0.277 -7.464 0.435) 7.482 5.235 ( 0.324 3.978 -1.205) 4.169 5.397 ( 0.123 -18.261 1.166) 18.298 5.710 ( -0.213 12.738 -0.029) 12.740 6.196 ( 1.447 -8.715 0.626) 8.856 6.318 ( -1.745 -1.846 -1.099) 2.767 7.158 ( 0.243 -3.160 0.052) 3.170 7.185 ( -0.150 -0.431 0.062) 0.461 9.595 ( -0.249 -5.964 -0.121) 5.970 9.715 ( 0.160 2.515 -0.056) 2.521 9.902 ( -0.343 -1.973 -0.005) 2.002 9.971 ( 0.275 6.979 0.028) 6.985 10.185 ( 0.397 3.312 -1.095) 3.510 10.247 ( -0.248 8.476 1.079) 8.548 11.341 ( -0.356 -5.020 -0.098) 5.034 11.394 ( 0.495 -0.330 0.133) 0.610 12.106 ( -1.721 -14.391 0.112) 14.494 12.448 ( 2.805 20.342 0.350) 20.538 14.304 ( 0.155 -21.502 0.027) 21.502 14.744 ( -0.098 21.945 -0.088) 21.945 16.875 ( -1.912 -1.800 -0.225) 2.636 16.924 ( 1.084 3.820 0.242) 3.978 18.798 ( -0.190 -3.485 -0.222) 3.497 18.804 ( 0.335 -2.858 0.303) 2.894 ======================= Grid point 14 (8/322) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.061 ( 7.575 0.000 1.192) 7.668 0.069 ( 9.130 0.000 -6.777) 11.370 0.144 ( 18.038 0.000 -0.380) 18.042 0.662 ( -0.771 -0.000 -0.179) 0.792 0.975 ( -0.402 -0.000 0.082) 0.410 1.311 ( 0.625 0.000 -0.008) 0.625 1.440 ( -0.575 -0.000 -0.387) 0.693 1.446 ( -0.327 -0.000 -0.010) 0.327 2.261 ( -0.421 -0.000 4.299) 4.319 2.560 ( -0.398 -0.000 0.810) 0.903 2.670 ( -0.038 -0.000 6.513) 6.513 2.864 ( 0.138 0.000 0.453) 0.473 3.054 ( -0.361 -0.000 -2.878) 2.900 3.196 ( -0.576 -0.000 0.088) 0.582 4.901 ( 0.136 0.000 0.412) 0.434 5.302 ( -0.664 -0.000 0.767) 1.015 5.535 ( -0.019 -0.000 -0.028) 0.034 5.554 ( -0.025 -0.000 -0.016) 0.029 5.920 ( -0.083 -0.000 -1.150) 1.153 6.642 ( 0.018 0.000 0.001) 0.018 6.816 ( -0.095 -0.000 0.303) 0.317 9.927 ( 0.068 0.000 0.067) 0.095 10.053 ( -0.991 -0.000 4.283) 4.396 10.425 ( 0.666 0.000 -0.646) 0.928 10.631 ( -0.027 -0.000 -0.223) 0.225 11.089 ( 0.212 0.000 -9.759) 9.761 11.664 ( 0.001 0.000 0.015) 0.015 11.847 ( -0.102 -0.000 -0.439) 0.451 13.076 ( 0.053 0.000 -0.752) 0.754 14.341 ( -0.074 -0.000 1.063) 1.066 14.364 ( 0.040 0.000 -1.062) 1.063 16.086 ( 0.062 0.000 0.255) 0.263 16.140 ( 0.195 0.000 -2.963) 2.969 16.571 ( 0.428 0.000 0.874) 0.973 16.736 ( -0.033 -0.000 -0.015) 0.036 18.022 ( -0.454 -0.000 7.459) 7.473 ======================= Grid point 15 (9/322) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.270 ( 13.059 -8.114 -0.592) 15.386 0.648 ( 1.699 -27.470 -0.941) 27.539 0.857 ( -0.441 -30.970 0.710) 30.982 0.908 ( -0.079 -20.496 -0.266) 20.498 1.397 ( -1.312 -21.752 -0.428) 21.795 1.451 ( -0.343 -6.188 1.127) 6.299 1.467 ( 1.119 -11.745 -1.457) 11.888 2.234 ( -12.915 -32.220 -2.845) 34.828 2.342 ( -0.180 -6.273 -0.733) 6.318 2.552 ( -0.599 0.320 1.513) 1.658 2.744 ( 0.726 -8.941 -1.176) 9.047 2.888 ( -0.598 -3.306 1.888) 3.854 3.040 ( -0.796 0.591 0.037) 0.992 3.231 ( -3.092 -7.161 0.045) 7.800 4.874 ( 0.148 1.352 0.596) 1.485 5.174 ( -0.603 7.112 -0.080) 7.138 5.669 ( 3.095 9.024 0.081) 9.540 5.675 ( 0.121 -11.024 -0.213) 11.027 5.788 ( -0.042 -17.491 -0.300) 17.494 6.816 ( -0.165 -0.258 0.630) 0.701 6.973 ( 1.819 -28.056 0.157) 28.115 9.860 ( -1.535 6.026 -0.191) 6.221 10.086 ( -1.142 -3.912 -0.268) 4.084 10.416 ( -0.099 -0.277 -0.050) 0.299 10.583 ( -0.749 3.422 -0.053) 3.503 11.063 ( -0.427 2.384 -0.675) 2.514 11.785 ( -0.259 5.971 -0.571) 6.004 13.076 ( 0.026 0.254 -0.031) 0.257 13.749 ( -12.690 20.657 9.031) 25.871 13.894 ( 1.027 38.143 -10.252) 39.511 14.728 ( -83.255 -67.461 -6.122) 107.330 16.183 ( 0.764 -0.479 2.208) 2.385 16.267 ( 13.900 16.865 -0.973) 21.877 16.616 ( -0.043 -10.012 0.114) 10.013 16.795 ( 0.596 -23.658 1.005) 23.687 17.386 ( 26.277 7.429 2.951) 27.466 ======================= Grid point 16 (10/322) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 7.151 -17.230 0.028) 18.655 1.093 ( 1.437 -16.491 -0.289) 16.556 1.362 ( -0.115 -23.461 0.843) 23.476 1.379 ( -0.194 -23.503 0.124) 23.504 1.492 ( -0.759 -2.953 -1.120) 3.248 1.775 ( 0.284 -18.313 -0.223) 18.316 1.865 ( -0.592 -19.059 0.367) 19.072 2.421 ( 0.032 -1.348 -1.577) 2.075 2.514 ( -0.955 0.632 1.362) 1.780 2.664 ( -1.346 -7.672 -0.212) 7.792 2.947 ( -0.504 -0.149 2.668) 2.719 2.960 ( 0.692 -1.795 -4.769) 5.142 3.174 ( -0.122 -23.604 0.105) 23.605 3.721 ( -6.140 -44.398 0.926) 44.830 4.900 ( -0.078 -4.828 0.885) 4.909 5.066 ( -0.254 3.653 -0.139) 3.664 5.520 ( 0.874 5.042 -0.661) 5.160 5.940 ( -0.023 -12.624 0.357) 12.629 6.168 ( 0.094 -19.525 -0.557) 19.533 6.835 ( -0.108 -1.995 0.463) 2.051 7.662 ( 1.736 -37.764 0.053) 37.803 9.676 ( -1.596 10.782 -0.479) 10.910 10.201 ( -0.920 -7.761 -0.031) 7.816 10.446 ( -0.100 -0.921 -0.441) 1.026 10.514 ( 0.193 1.362 0.500) 1.464 10.985 ( -0.308 5.347 -0.434) 5.373 11.616 ( -0.192 10.292 -0.345) 10.299 12.893 ( 0.135 32.988 0.305) 32.990 13.039 ( -0.140 38.912 1.653) 38.948 13.243 ( 0.230 8.724 -1.128) 8.799 15.144 ( -2.214 19.698 -1.758) 19.899 15.987 ( -18.974 -15.818 -0.713) 24.713 16.108 ( -1.055 7.524 0.688) 7.629 16.992 ( 2.617 -14.023 0.132) 14.266 17.379 ( 0.436 -30.507 0.844) 30.522 17.588 ( 4.246 -17.818 0.490) 18.323 ======================= Grid point 17 (11/322) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 4.294 -21.278 0.123) 21.707 1.355 ( 1.179 -10.042 -0.084) 10.111 1.555 ( -0.859 -3.823 0.155) 3.921 1.815 ( 0.061 -21.062 -0.339) 21.065 1.822 ( 0.093 -20.461 0.145) 20.462 2.138 ( 0.595 -16.916 -0.890) 16.950 2.206 ( -0.448 -15.134 1.627) 15.228 2.421 ( 0.372 0.757 -2.563) 2.698 2.485 ( -1.076 1.413 2.185) 2.816 2.729 ( -0.971 -1.354 -0.252) 1.685 2.907 ( -0.521 3.082 -0.013) 3.126 2.929 ( 0.043 3.096 -0.204) 3.103 3.773 ( 0.336 -32.215 -0.913) 32.230 4.584 ( -2.883 -34.682 0.526) 34.806 5.007 ( 0.260 2.505 0.742) 2.625 5.129 ( -1.759 -20.935 0.414) 21.013 5.503 ( 0.181 -3.731 -1.444) 4.004 6.128 ( -0.030 -5.495 0.587) 5.527 6.541 ( 0.149 -17.087 -0.712) 17.103 6.910 ( 0.043 -5.533 0.152) 5.535 8.432 ( 0.958 -37.071 -0.170) 37.084 9.466 ( -0.627 8.423 -0.245) 8.449 10.356 ( -0.057 7.616 2.160) 7.916 10.362 ( -0.195 -6.687 -2.596) 7.176 10.594 ( 0.020 -5.721 0.475) 5.741 10.856 ( -0.037 6.669 -0.033) 6.669 11.404 ( -0.089 9.607 0.015) 9.608 12.087 ( 0.278 39.590 0.316) 39.592 12.314 ( 0.478 31.440 0.370) 31.446 13.296 ( 0.193 -7.636 0.283) 7.644 14.437 ( 6.473 41.305 -0.026) 41.810 15.876 ( -0.058 13.733 -0.310) 13.737 16.411 ( -13.609 -22.399 -0.426) 26.212 17.138 ( 1.588 -1.426 0.211) 2.144 17.948 ( 0.248 -25.306 0.620) 25.315 18.027 ( 0.989 -22.119 0.172) 22.141 ======================= Grid point 18 (12/322) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 2.789 -21.388 -0.383) 21.572 1.530 ( 0.762 -7.578 0.241) 7.620 1.633 ( -0.694 -4.175 0.053) 4.233 2.189 ( 0.149 -15.911 0.314) 15.915 2.194 ( 0.016 -16.300 -0.367) 16.304 2.365 ( 0.768 0.744 0.256) 1.100 2.389 ( -0.404 -2.099 -1.166) 2.435 2.482 ( 0.588 -9.967 2.644) 10.328 2.521 ( -0.851 -9.115 -0.819) 9.191 2.740 ( -1.006 -0.336 -0.334) 1.112 2.821 ( -0.136 5.417 0.443) 5.436 2.867 ( -0.565 2.590 -0.532) 2.703 4.403 ( 0.365 -29.594 -0.418) 29.599 4.972 ( 0.292 0.434 0.014) 0.523 5.019 ( -0.356 -14.034 0.745) 14.058 5.636 ( -2.558 -20.125 8.266) 21.906 5.682 ( 0.112 -16.075 -9.029) 18.437 6.170 ( -0.282 0.152 0.346) 0.472 6.842 ( 0.166 -12.686 -0.533) 12.698 7.038 ( 0.130 -6.432 0.050) 6.433 9.110 ( 0.270 -29.318 -0.311) 29.321 9.379 ( 0.034 -0.534 -0.078) 0.540 10.153 ( -0.021 11.893 -0.300) 11.897 10.371 ( 0.057 6.761 0.012) 6.761 10.649 ( -0.207 2.188 -0.504) 2.255 10.742 ( -0.016 7.749 1.026) 7.817 11.266 ( -0.196 4.052 0.286) 4.067 11.446 ( 0.679 20.116 -0.408) 20.131 11.866 ( 0.347 11.175 0.897) 11.216 13.454 ( 1.658 2.405 0.568) 2.976 13.721 ( 3.046 20.804 -0.038) 21.026 15.558 ( -0.029 17.709 -0.222) 17.711 16.703 ( -6.302 -10.771 -0.296) 12.482 17.112 ( 0.754 3.699 0.243) 3.783 18.382 ( 0.088 -17.757 0.231) 17.759 18.423 ( 0.625 -16.438 0.265) 16.452 ======================= Grid point 19 (13/322) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.731 -5.438 -0.221) 5.491 1.710 ( -0.496 -3.495 0.126) 3.533 1.861 ( 1.416 -19.157 -0.478) 19.215 2.314 ( -0.057 2.755 -0.059) 2.756 2.357 ( -0.127 1.788 0.433) 1.844 2.456 ( 0.409 -9.552 0.486) 9.574 2.469 ( 0.008 -9.902 -0.222) 9.905 2.659 ( 0.415 0.188 1.273) 1.353 2.688 ( 0.792 -5.003 0.813) 5.130 2.721 ( -1.080 -2.575 -1.163) 3.025 2.742 ( -0.660 -0.131 -0.162) 0.692 2.827 ( -0.712 0.955 -0.494) 1.289 4.922 ( 0.173 -18.029 0.158) 18.031 5.030 ( 0.114 -10.223 -0.427) 10.232 5.223 ( 0.003 -5.873 0.653) 5.910 5.873 ( -1.083 0.677 2.823) 3.099 5.955 ( 1.457 -13.786 -2.521) 14.090 6.211 ( -1.844 -6.004 -0.819) 6.334 7.049 ( 0.223 -7.885 -0.185) 7.890 7.144 ( 0.013 -3.743 0.148) 3.746 9.469 ( -0.012 -6.779 -0.089) 6.779 9.574 ( 0.063 -16.017 -0.245) 16.019 9.940 ( -0.273 7.239 -0.229) 7.248 10.177 ( 0.152 10.804 0.080) 10.805 10.422 ( 0.426 19.140 -2.017) 19.250 10.483 ( -0.359 12.772 2.191) 12.964 11.248 ( -0.223 -2.660 0.082) 2.671 11.341 ( 0.708 -3.370 -0.030) 3.443 11.865 ( -0.558 -8.143 0.604) 8.185 12.956 ( 3.501 28.771 0.569) 28.988 13.899 ( 0.215 -18.316 0.011) 18.317 15.172 ( -0.048 20.536 -0.168) 20.537 16.819 ( -3.296 -3.636 -0.231) 4.913 17.020 ( 0.675 5.143 0.258) 5.194 18.661 ( -0.054 -10.232 -0.068) 10.232 18.684 ( 0.478 -9.399 0.328) 9.417 ======================= Grid point 20 (14/322) ======================= q-point: ( 0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 0.375 -2.667 -0.082) 2.695 1.757 ( -0.306 -1.004 0.067) 1.051 2.203 ( 0.614 -13.758 -1.860) 13.896 2.267 ( -0.254 1.229 0.694) 1.434 2.328 ( 0.426 0.277 1.340) 1.433 2.466 ( -0.346 9.762 0.055) 9.768 2.600 ( 0.041 -3.180 0.034) 3.181 2.623 ( 0.047 -2.385 0.129) 2.389 2.745 ( -0.831 -0.452 -0.175) 0.962 2.758 ( 0.876 -0.872 0.170) 1.248 2.808 ( 0.199 -2.317 -0.134) 2.330 2.834 ( -0.661 -1.559 -0.119) 1.698 5.102 ( -0.195 -7.429 0.384) 7.441 5.237 ( 0.291 3.959 -1.095) 4.118 5.398 ( 0.092 -18.246 1.093) 18.279 5.709 ( -0.215 12.669 -0.028) 12.670 6.210 ( 1.791 -8.347 0.895) 8.584 6.303 ( -2.073 -2.452 -1.369) 3.491 7.160 ( 0.238 -3.147 0.093) 3.158 7.184 ( -0.154 -0.373 0.035) 0.405 9.593 ( -0.205 -5.933 -0.110) 5.938 9.716 ( 0.127 2.442 -0.053) 2.446 9.899 ( -0.323 -1.979 -0.004) 2.005 9.973 ( 0.259 6.917 0.028) 6.922 10.188 ( 0.441 3.388 -1.058) 3.577 10.245 ( -0.306 8.498 1.038) 8.566 11.338 ( -0.325 -4.962 -0.091) 4.974 11.398 ( 0.482 -0.262 0.125) 0.563 12.093 ( -1.539 -13.983 0.111) 14.068 12.470 ( 2.526 20.765 0.324) 20.921 14.305 ( 0.149 -21.483 0.027) 21.484 14.743 ( -0.096 21.967 -0.086) 21.967 16.860 ( -1.803 -2.216 -0.208) 2.864 16.932 ( 1.022 3.588 0.226) 3.738 18.797 ( -0.183 -3.437 -0.223) 3.450 18.807 ( 0.320 -2.790 0.299) 2.824 ======================= Grid point 21 (15/322) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -0.333 2.845 0.079) 2.865 1.762 ( 0.253 0.943 -0.068) 0.979 2.196 ( -0.435 14.619 1.569) 14.710 2.269 ( 0.107 -0.987 -0.447) 1.089 2.320 ( -0.423 -1.244 -1.244) 1.809 2.472 ( 0.313 -8.976 -0.080) 8.982 2.603 ( 0.433 2.949 0.081) 2.982 2.620 ( -0.348 2.513 -0.203) 2.546 2.743 ( -0.787 0.812 -0.053) 1.132 2.759 ( 0.728 0.608 0.066) 0.951 2.807 ( 0.029 2.282 0.136) 2.287 2.842 ( 0.323 0.858 0.064) 0.919 5.106 ( 0.288 7.546 -0.387) 7.562 5.233 ( -0.284 -4.064 1.039) 4.205 5.395 ( -0.122 18.293 -0.973) 18.320 5.712 ( 0.166 -12.803 0.023) 12.804 6.186 ( -1.015 9.049 -0.383) 9.114 6.331 ( 1.261 1.286 0.751) 1.952 7.156 ( -0.198 3.181 -0.011) 3.187 7.186 ( 0.117 0.478 -0.065) 0.497 9.597 ( 0.232 6.014 0.104) 6.019 9.713 ( -0.153 -2.616 0.046) 2.621 9.905 ( 0.285 1.970 0.005) 1.991 9.969 ( -0.229 -7.036 -0.022) 7.040 10.183 ( -0.283 -3.193 0.901) 3.329 10.248 ( 0.155 -8.499 -0.893) 8.547 11.343 ( 0.304 5.079 0.082) 5.089 11.390 ( -0.398 0.391 -0.111) 0.569 12.119 ( 1.526 14.875 -0.087) 14.953 12.427 ( -2.451 -20.042 -0.297) 20.193 14.303 ( -0.126 21.521 -0.022) 21.522 14.745 ( 0.078 -21.927 0.070) 21.927 16.889 ( 1.585 1.405 0.194) 2.127 16.916 ( -0.899 -4.035 -0.206) 4.139 18.800 ( 0.087 3.402 0.073) 3.404 18.802 ( -0.208 3.051 -0.141) 3.061 ======================= Grid point 22 (16/322) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.494 5.768 0.182) 5.792 1.717 ( 0.292 3.357 -0.127) 3.372 1.842 ( -0.849 19.715 0.313) 19.736 2.313 ( -0.130 -2.582 0.105) 2.587 2.359 ( 0.098 -2.305 -0.397) 2.341 2.450 ( -0.210 9.477 -0.248) 9.483 2.469 ( -0.011 10.291 0.117) 10.292 2.657 ( 0.301 0.786 -0.277) 0.886 2.674 ( -0.855 4.291 -0.750) 4.439 2.733 ( 0.395 1.892 0.310) 1.957 2.754 ( 0.655 0.139 0.269) 0.722 2.836 ( 0.394 -0.846 0.282) 0.975 4.919 ( -0.117 18.518 -0.095) 18.519 5.029 ( -0.036 10.027 0.270) 10.030 5.222 ( -0.003 5.675 -0.427) 5.691 5.888 ( 1.000 -1.922 -2.958) 3.667 5.935 ( -1.230 13.338 2.742) 13.672 6.238 ( 1.194 6.869 0.537) 6.992 7.046 ( -0.151 7.826 0.139) 7.829 7.143 ( -0.013 3.862 -0.094) 3.863 9.469 ( 0.019 6.965 0.058) 6.965 9.573 ( -0.012 16.010 0.175) 16.011 9.944 ( 0.172 -7.125 0.151) 7.129 10.174 ( -0.100 -10.788 -0.051) 10.788 10.418 ( -0.251 -19.438 1.235) 19.479 10.485 ( 0.191 -12.777 -1.360) 12.851 11.251 ( 0.159 2.707 -0.063) 2.713 11.331 ( -0.461 3.512 0.025) 3.542 11.873 ( 0.372 8.981 -0.401) 8.998 12.904 ( -2.394 -28.360 -0.384) 28.463 13.896 ( -0.137 18.387 -0.011) 18.388 15.173 ( 0.031 -20.512 0.111) 20.513 16.867 ( 2.204 2.292 0.155) 3.183 17.011 ( -0.458 -5.266 -0.168) 5.289 18.662 ( 0.048 10.342 0.042) 10.342 18.677 ( -0.332 9.491 -0.218) 9.499 ======================= Grid point 23 (17/322) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -1.307 22.073 0.177) 22.112 1.521 ( -0.298 8.020 -0.138) 8.027 1.641 ( 0.279 4.038 -0.002) 4.048 2.187 ( -0.066 15.890 -0.116) 15.890 2.194 ( -0.009 16.411 0.137) 16.412 2.354 ( -0.425 0.330 0.128) 0.553 2.396 ( 0.282 1.005 0.202) 1.063 2.473 ( -0.272 10.418 -0.861) 10.457 2.532 ( 0.361 8.153 0.140) 8.163 2.751 ( 0.344 0.222 0.090) 0.419 2.825 ( 0.270 -5.343 -0.102) 5.351 2.873 ( 0.179 -2.433 0.181) 2.446 4.398 ( -0.168 29.603 0.192) 29.604 4.969 ( -0.124 -0.318 -0.010) 0.342 5.022 ( 0.166 13.674 -0.338) 13.679 5.657 ( 0.875 12.581 -5.050) 13.585 5.692 ( 0.252 22.483 5.383) 23.120 6.173 ( 0.155 0.311 -0.150) 0.378 6.840 ( -0.083 12.653 0.256) 12.656 7.036 ( -0.062 6.446 -0.021) 6.446 9.107 ( -0.091 29.615 0.151) 29.616 9.379 ( -0.012 0.363 0.037) 0.365 10.153 ( -0.001 -11.714 0.137) 11.715 10.370 ( -0.028 -6.937 -0.002) 6.937 10.652 ( 0.106 -2.137 0.258) 2.155 10.741 ( 0.000 -7.751 -0.505) 7.767 11.268 ( 0.098 -3.941 -0.146) 3.945 11.437 ( -0.334 -20.372 0.199) 20.376 11.861 ( -0.172 -10.869 -0.420) 10.878 13.430 ( -0.998 -7.285 -0.287) 7.359 13.686 ( -1.208 -15.024 0.032) 15.072 15.559 ( 0.014 -17.714 0.104) 17.714 16.783 ( 3.015 7.764 0.144) 8.330 17.102 ( -0.431 -3.383 -0.112) 3.412 18.380 ( -0.031 17.868 -0.109) 17.869 18.414 ( -0.304 16.552 -0.125) 16.556 ======================= Grid point 24 (18/322) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -1.135 22.633 -0.032) 22.661 1.343 ( -0.278 10.282 0.014) 10.286 1.564 ( 0.199 3.683 -0.035) 3.688 1.814 ( -0.022 21.127 0.099) 21.127 1.821 ( -0.013 20.337 -0.049) 20.337 2.132 ( -0.144 16.866 0.200) 16.868 2.210 ( 0.101 14.821 -0.389) 14.826 2.419 ( -0.062 -0.843 0.554) 1.010 2.495 ( 0.241 -1.349 -0.450) 1.443 2.739 ( 0.223 1.286 0.053) 1.307 2.915 ( 0.355 -3.426 0.079) 3.446 2.926 ( -0.208 -2.581 -0.016) 2.589 3.770 ( -0.084 32.158 0.229) 32.159 4.615 ( 0.743 32.076 -0.120) 32.085 5.004 ( -0.079 -2.693 -0.180) 2.700 5.148 ( 0.508 22.674 -0.161) 22.681 5.501 ( -0.077 3.728 0.401) 3.750 6.128 ( 0.011 5.535 -0.147) 5.537 6.540 ( -0.041 17.083 0.183) 17.084 6.909 ( -0.011 5.455 -0.038) 5.455 8.422 ( -0.235 37.611 0.044) 37.612 9.473 ( 0.170 -9.003 0.065) 9.005 10.355 ( -0.008 -7.879 -0.349) 7.887 10.366 ( 0.070 6.564 0.466) 6.581 10.594 ( -0.013 6.003 -0.129) 6.004 10.856 ( 0.010 -6.817 0.010) 6.817 11.404 ( 0.019 -9.654 -0.005) 9.654 12.084 ( -0.073 -39.693 -0.085) 39.693 12.309 ( -0.123 -31.497 -0.091) 31.498 13.294 ( -0.056 7.541 -0.077) 7.542 14.369 ( -1.576 -39.874 0.007) 39.906 15.876 ( 0.015 -13.780 0.075) 13.780 16.561 ( 3.667 15.844 0.131) 16.263 17.117 ( -0.615 2.409 -0.061) 2.487 17.945 ( -0.060 25.433 -0.158) 25.434 18.016 ( -0.268 22.622 -0.048) 22.623 ======================= Grid point 25 (19/322) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 19.684 0.000) 19.684 1.081 ( 0.000 16.683 0.000) 16.683 1.362 ( 0.000 23.460 0.000) 23.460 1.381 ( 0.000 23.372 0.000) 23.372 1.499 ( 0.000 2.802 0.000) 2.802 1.773 ( 0.000 18.087 0.000) 18.087 1.870 ( 0.000 19.199 0.000) 19.199 2.421 ( 0.000 1.231 0.000) 1.231 2.522 ( -0.000 -0.881 -0.000) 0.881 2.675 ( 0.000 6.853 0.000) 6.853 2.953 ( 0.000 0.529 0.000) 0.529 2.954 ( 0.000 1.838 0.000) 1.838 3.175 ( 0.000 23.117 0.000) 23.117 3.776 ( 0.000 43.146 0.000) 43.146 4.900 ( 0.000 5.083 0.000) 5.083 5.068 ( -0.000 -3.945 -0.000) 3.945 5.512 ( -0.000 -4.362 -0.000) 4.362 5.940 ( 0.000 12.605 0.000) 12.605 6.168 ( 0.000 19.488 0.000) 19.488 6.835 ( 0.000 1.952 0.000) 1.952 7.647 ( 0.000 38.168 0.000) 38.168 9.691 ( -0.000 -11.203 -0.000) 11.203 10.209 ( 0.000 7.483 0.000) 7.483 10.446 ( 0.000 1.183 0.000) 1.183 10.512 ( -0.000 -1.884 -0.000) 1.884 10.988 ( -0.000 -5.476 -0.000) 5.476 11.617 ( -0.000 -10.361 -0.000) 10.361 12.892 ( -0.000 -33.054 -0.000) 33.054 13.040 ( -0.000 -39.572 -0.000) 39.572 13.241 ( -0.000 -8.591 -0.000) 8.591 15.161 ( -0.000 -37.953 -0.000) 37.953 16.097 ( -0.000 -6.113 -0.000) 6.113 16.196 ( 0.000 18.707 0.000) 18.707 16.960 ( 0.000 14.080 0.000) 14.080 17.375 ( 0.000 30.617 0.000) 30.617 17.547 ( 0.000 22.386 0.000) 22.386 ======================= Grid point 28 (20/322) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.120 ( 7.243 0.000 1.140) 7.333 0.136 ( 8.529 0.000 -6.094) 10.482 0.282 ( 16.640 0.000 -0.306) 16.643 0.653 ( -1.481 -0.000 -0.334) 1.518 0.971 ( -0.680 -0.000 0.145) 0.696 1.318 ( 1.139 0.000 -0.013) 1.139 1.433 ( -1.045 -0.000 -0.706) 1.261 1.442 ( -0.631 -0.000 -0.018) 0.631 2.259 ( -0.316 -0.000 1.064) 1.110 2.556 ( -0.673 -0.000 1.336) 1.496 2.675 ( 0.564 0.000 1.450) 1.556 2.865 ( 0.238 0.000 0.824) 0.857 3.047 ( -0.910 -0.000 -1.647) 1.882 3.189 ( -1.002 -0.000 0.149) 1.013 4.903 ( 0.244 0.000 0.724) 0.765 5.296 ( -1.095 -0.000 0.015) 1.095 5.534 ( -0.034 -0.000 -0.051) 0.061 5.554 ( -0.044 -0.000 -0.028) 0.052 5.918 ( -0.243 -0.000 -0.327) 0.407 6.642 ( 0.032 0.000 0.001) 0.032 6.815 ( -0.176 -0.000 0.539) 0.567 9.928 ( 0.200 0.000 0.250) 0.320 10.045 ( -1.384 -0.000 1.585) 2.105 10.431 ( 1.111 0.000 -1.109) 1.570 10.630 ( -0.045 -0.000 -0.417) 0.419 11.085 ( -0.449 -0.000 -4.527) 4.549 11.664 ( 0.001 0.000 0.026) 0.026 11.846 ( -0.179 -0.000 -0.774) 0.795 13.076 ( -0.011 -0.000 0.261) 0.261 14.341 ( -0.132 -0.000 1.904) 1.908 14.364 ( 0.072 0.000 -1.902) 1.904 16.087 ( 0.106 0.000 0.447) 0.460 16.140 ( 0.129 0.000 -1.562) 1.567 16.577 ( 0.745 0.000 1.543) 1.714 16.736 ( -0.059 -0.000 -0.027) 0.064 18.022 ( -0.162 -0.000 3.099) 3.103 ======================= Grid point 29 (21/322) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 13.354 -5.532 -0.612) 14.468 0.664 ( 2.435 -27.018 -1.324) 27.160 0.854 ( -0.295 -30.371 0.976) 30.388 0.906 ( -0.256 -20.824 -0.291) 20.827 1.386 ( -1.384 -21.719 -0.474) 21.769 1.446 ( -1.048 -3.369 0.158) 3.532 1.478 ( 1.649 -14.587 -0.782) 14.701 2.125 ( -13.589 -40.789 -2.478) 43.065 2.340 ( -0.209 -6.295 -1.486) 6.471 2.548 ( -0.812 0.374 2.021) 2.210 2.750 ( 1.029 -8.942 -2.087) 9.240 2.886 ( -0.373 -3.094 2.424) 3.948 3.032 ( -1.199 0.611 0.015) 1.346 3.207 ( -2.853 -5.314 0.010) 6.032 4.876 ( 0.236 1.386 0.851) 1.644 5.168 ( -0.913 6.982 -0.212) 7.044 5.674 ( -0.060 -12.059 0.276) 12.062 5.695 ( 2.914 11.469 -0.383) 11.840 5.787 ( -0.055 -17.549 -0.425) 17.554 6.815 ( -0.226 -0.285 0.939) 1.007 6.988 ( 1.826 -28.399 0.076) 28.457 9.847 ( -1.653 6.474 -0.301) 6.689 10.075 ( -1.520 -4.004 -0.204) 4.288 10.416 ( 0.010 -0.279 -0.301) 0.410 10.576 ( -0.828 3.134 -0.025) 3.241 11.059 ( -0.631 2.310 -0.899) 2.558 11.782 ( -0.371 5.913 -0.816) 5.981 13.076 ( 0.058 0.234 -0.462) 0.521 13.582 ( -30.696 -28.234 5.549) 42.073 13.897 ( 0.950 38.052 -10.920) 39.600 14.241 ( -38.055 -44.301 0.896) 58.409 16.185 ( -0.133 -1.506 0.674) 1.655 16.334 ( 4.842 12.952 -0.418) 13.834 16.616 ( -0.124 -8.987 0.078) 8.988 16.801 ( 0.870 -23.487 1.577) 23.556 17.560 ( 17.029 16.419 2.042) 23.743 ======================= Grid point 30 (22/322) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 7.889 -15.359 0.039) 17.266 1.105 ( 1.807 -16.296 -0.374) 16.400 1.361 ( -0.160 -23.457 1.137) 23.485 1.378 ( -0.195 -23.620 0.179) 23.622 1.484 ( -0.971 -3.119 -1.482) 3.587 1.777 ( 0.365 -18.579 -0.285) 18.585 1.860 ( -0.735 -18.875 0.454) 18.894 2.420 ( 0.112 -1.487 -2.028) 2.517 2.506 ( -1.249 0.335 1.739) 2.167 2.652 ( -1.645 -8.452 -0.258) 8.615 2.945 ( -0.366 0.229 2.220) 2.262 2.963 ( 0.676 -1.653 -4.707) 5.034 3.173 ( -0.164 -24.166 0.087) 24.166 3.670 ( -6.737 -45.185 1.176) 45.700 4.900 ( -0.073 -4.573 1.059) 4.695 5.063 ( -0.373 3.343 -0.229) 3.371 5.527 ( 0.870 5.606 -0.738) 5.720 5.940 ( -0.022 -12.646 0.437) 12.654 6.169 ( 0.108 -19.561 -0.674) 19.573 6.834 ( -0.130 -2.038 0.569) 2.120 7.677 ( 1.974 -37.468 0.041) 37.520 9.662 ( -1.803 10.414 -0.564) 10.584 10.193 ( -1.010 -8.017 0.018) 8.081 10.444 ( -0.225 -0.720 -0.611) 0.970 10.516 ( 0.251 0.921 0.617) 1.137 10.982 ( -0.377 5.206 -0.519) 5.246 11.614 ( -0.239 10.221 -0.421) 10.232 12.894 ( 0.184 32.920 0.358) 32.922 13.039 ( -0.134 38.298 1.959) 38.349 13.244 ( 0.226 8.799 -1.353) 8.905 15.119 ( -3.906 -3.800 -2.255) 5.897 15.835 ( -18.250 -3.179 0.248) 18.527 16.104 ( -0.331 8.344 0.163) 8.352 17.010 ( 1.872 -14.497 0.152) 14.618 17.383 ( 0.519 -30.386 1.027) 30.408 17.622 ( 4.156 -14.678 0.457) 15.261 ======================= Grid point 31 (23/322) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 4.458 -20.335 0.133) 20.818 1.365 ( 1.352 -9.860 -0.120) 9.953 1.548 ( -1.001 -3.928 0.184) 4.058 1.815 ( 0.046 -21.016 -0.313) 21.018 1.823 ( 0.137 -20.553 0.106) 20.554 2.142 ( 0.668 -16.915 -1.072) 16.962 2.203 ( -0.528 -15.413 1.855) 15.533 2.423 ( 0.576 0.684 -3.281) 3.401 2.477 ( -1.331 1.469 2.903) 3.515 2.721 ( -1.103 -1.385 -0.304) 1.796 2.903 ( -0.317 2.939 0.107) 2.958 2.928 ( -0.120 3.348 -0.317) 3.365 3.775 ( 0.364 -32.258 -0.987) 32.275 4.560 ( -3.049 -36.557 0.602) 36.689 5.010 ( 0.255 2.346 0.831) 2.502 5.115 ( -1.722 -19.677 0.279) 19.754 5.503 ( 0.116 -3.714 -1.451) 3.989 6.128 ( -0.020 -5.466 0.632) 5.503 6.542 ( 0.150 -17.091 -0.756) 17.108 6.910 ( 0.044 -5.593 0.165) 5.595 8.440 ( 1.051 -36.679 -0.180) 36.694 9.461 ( -0.638 7.996 -0.253) 8.025 10.357 ( -0.300 6.701 5.300) 8.549 10.359 ( 0.020 -6.055 -5.750) 8.350 10.595 ( -0.002 -5.526 0.481) 5.547 10.855 ( -0.037 6.555 -0.032) 6.555 11.403 ( -0.106 9.572 0.011) 9.573 12.089 ( 0.287 39.518 0.322) 39.521 12.319 ( 0.505 31.398 0.403) 31.405 13.298 ( 0.188 -7.706 0.289) 7.713 14.492 ( 7.220 42.769 -0.028) 43.374 15.875 ( -0.064 13.684 -0.350) 13.688 16.299 ( -14.284 -27.226 -0.391) 30.748 17.150 ( 1.336 -1.007 0.214) 1.687 17.950 ( 0.272 -25.213 0.659) 25.223 18.035 ( 1.013 -21.776 0.172) 21.800 ======================= Grid point 32 (24/322) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 2.611 -20.999 -0.343) 21.164 1.537 ( 0.843 -7.277 0.151) 7.327 1.628 ( -0.745 -4.273 0.102) 4.339 2.190 ( 0.111 -15.976 0.360) 15.980 2.194 ( 0.048 -16.157 -0.416) 16.162 2.369 ( 0.122 1.187 0.948) 1.524 2.387 ( 0.292 -2.240 -1.958) 2.990 2.488 ( 0.508 -9.850 3.574) 10.490 2.514 ( -0.836 -9.896 -1.647) 10.067 2.731 ( -1.071 -0.319 -0.387) 1.182 2.821 ( 0.122 5.463 0.581) 5.495 2.862 ( -0.672 2.614 -0.635) 2.773 4.405 ( 0.347 -29.587 -0.398) 29.592 4.974 ( 0.292 0.546 0.007) 0.619 5.016 ( -0.337 -14.311 0.719) 14.333 5.619 ( -2.513 -22.828 5.844) 23.698 5.679 ( 0.185 -14.027 -6.591) 15.499 6.168 ( -0.240 0.411 0.339) 0.585 6.843 ( 0.151 -12.709 -0.495) 12.719 7.039 ( 0.121 -6.423 0.050) 6.424 9.112 ( 0.298 -29.128 -0.286) 29.131 9.379 ( 0.038 -0.636 -0.073) 0.641 10.152 ( -0.035 11.998 -0.287) 12.001 10.372 ( 0.052 6.653 0.015) 6.653 10.647 ( -0.185 2.203 -0.451) 2.256 10.742 ( -0.023 7.768 0.939) 7.825 11.265 ( -0.179 4.100 0.256) 4.112 11.451 ( 0.622 19.961 -0.376) 19.974 11.870 ( 0.314 11.370 0.844) 11.406 13.467 ( 1.325 -0.247 0.506) 1.440 13.746 ( 3.104 24.048 -0.015) 24.247 15.558 ( -0.027 17.707 -0.208) 17.709 16.654 ( -5.902 -12.582 -0.274) 13.900 17.118 ( 0.657 3.822 0.232) 3.885 18.382 ( 0.092 -17.687 0.217) 17.688 18.428 ( 0.579 -16.370 0.248) 16.382 ======================= Grid point 33 (25/322) ======================= q-point: ( 0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.632 -5.280 -0.156) 5.320 1.706 ( -0.464 -3.590 0.076) 3.621 1.871 ( 1.240 -18.842 -0.405) 18.887 2.313 ( -0.205 2.781 0.013) 2.788 2.357 ( -0.045 1.586 0.274) 1.610 2.459 ( 0.414 -9.545 0.516) 9.568 2.469 ( -0.039 -9.761 -0.272) 9.765 2.664 ( 0.741 1.244 1.653) 2.198 2.694 ( 0.565 -5.170 0.568) 5.231 2.711 ( -1.188 -3.958 -1.504) 4.398 2.738 ( -0.462 0.135 -0.036) 0.482 2.821 ( -0.649 1.045 -0.450) 1.310 4.923 ( 0.143 -17.781 0.137) 17.782 5.030 ( 0.121 -10.342 -0.364) 10.349 5.223 ( 0.002 -5.956 0.548) 5.982 5.867 ( -0.853 0.367 2.052) 2.253 5.964 ( 1.188 -14.550 -1.815) 14.711 6.197 ( -1.567 -5.353 -0.681) 5.619 7.050 ( 0.184 -7.918 -0.144) 7.921 7.144 ( 0.008 -3.680 0.126) 3.682 9.469 ( -0.002 -6.688 -0.074) 6.688 9.574 ( 0.071 -16.005 -0.196) 16.006 9.938 ( -0.234 7.296 -0.191) 7.302 10.178 ( 0.127 10.810 0.068) 10.811 10.424 ( 0.384 19.013 -1.777) 19.100 10.481 ( -0.338 12.747 1.916) 12.895 11.246 ( -0.180 -2.632 0.063) 2.639 11.346 ( 0.597 -3.310 -0.023) 3.364 11.861 ( -0.466 -7.731 0.503) 7.762 12.981 ( 2.870 28.995 0.469) 29.141 13.901 ( 0.182 -18.274 0.007) 18.275 15.172 ( -0.041 20.549 -0.140) 20.549 16.795 ( -2.736 -4.319 -0.190) 5.116 17.026 ( 0.560 5.068 0.216) 5.103 18.661 ( -0.041 -10.173 -0.058) 10.173 18.687 ( 0.392 -9.353 0.273) 9.365 ======================= Grid point 34 (26/322) ======================= q-point: ( 0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.280 -2.583 -0.053) 2.599 1.755 ( -0.238 -1.040 0.042) 1.068 2.207 ( 0.487 -13.412 -1.378) 13.491 2.265 ( -0.241 1.318 0.583) 1.461 2.332 ( 0.287 -0.148 0.928) 0.983 2.464 ( -0.232 10.122 0.030) 10.125 2.600 ( 0.143 -3.301 0.046) 3.305 2.623 ( -0.029 -2.283 0.076) 2.284 2.739 ( -0.613 -0.441 -0.109) 0.763 2.764 ( 0.624 -0.843 0.104) 1.053 2.811 ( 0.424 -2.143 -0.061) 2.186 2.828 ( -0.757 -2.043 -0.122) 2.182 5.101 ( -0.101 -7.435 0.260) 7.441 5.239 ( 0.199 3.994 -0.757) 4.070 5.399 ( 0.052 -18.250 0.773) 18.266 5.707 ( -0.161 12.611 -0.021) 12.612 6.225 ( 1.998 -8.151 1.134) 8.468 6.285 ( -2.199 -2.847 -1.488) 3.892 7.161 ( 0.176 -3.150 0.098) 3.157 7.183 ( -0.120 -0.311 0.006) 0.333 9.591 ( -0.129 -5.924 -0.075) 5.926 9.717 ( 0.077 2.406 -0.038) 2.407 9.897 ( -0.229 -1.986 -0.003) 1.999 9.975 ( 0.183 6.864 0.021) 6.866 10.190 ( 0.365 3.398 -0.783) 3.506 10.243 ( -0.272 8.568 0.765) 8.607 11.336 ( -0.225 -4.916 -0.064) 4.922 11.401 ( 0.352 -0.204 0.088) 0.416 12.082 ( -1.056 -13.695 0.081) 13.735 12.487 ( 1.736 21.163 0.227) 21.235 14.306 ( 0.108 -21.470 0.020) 21.470 14.743 ( -0.071 21.987 -0.063) 21.987 16.847 ( -1.280 -2.561 -0.146) 2.867 16.940 ( 0.726 3.395 0.160) 3.476 18.795 ( -0.130 -3.389 -0.161) 3.396 18.809 ( 0.227 -2.741 0.214) 2.759 ======================= Grid point 35 (27/322) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -0.190 2.903 0.046) 2.909 1.764 ( 0.142 0.927 -0.040) 0.938 2.194 ( -0.229 14.918 0.885) 14.946 2.270 ( 0.046 -0.871 -0.232) 0.903 2.316 ( -0.249 -1.575 -0.716) 1.748 2.474 ( 0.173 -8.714 -0.052) 8.716 2.607 ( 0.591 2.862 0.145) 2.926 2.616 ( -0.510 2.537 -0.210) 2.596 2.738 ( -0.450 0.839 -0.036) 0.953 2.764 ( 0.415 0.599 0.046) 0.730 2.808 ( 0.032 2.250 0.077) 2.252 2.844 ( 0.154 0.651 0.031) 0.670 5.108 ( 0.188 7.638 -0.231) 7.644 5.232 ( -0.168 -4.172 0.605) 4.219 5.394 ( -0.077 18.329 -0.553) 18.337 5.713 ( 0.089 -12.850 0.012) 12.851 6.180 ( -0.523 9.274 -0.179) 9.291 6.339 ( 0.662 0.902 0.377) 1.181 7.155 ( -0.111 3.198 0.006) 3.200 7.187 ( 0.064 0.509 -0.041) 0.515 9.598 ( 0.142 6.065 0.061) 6.067 9.712 ( -0.095 -2.708 0.026) 2.710 9.906 ( 0.161 1.970 0.003) 1.976 9.968 ( -0.130 -7.075 -0.012) 7.077 10.181 ( -0.144 -3.086 0.510) 3.132 10.249 ( 0.070 -8.535 -0.507) 8.551 11.345 ( 0.175 5.123 0.047) 5.126 11.388 ( -0.220 0.432 -0.063) 0.489 12.129 ( 0.917 15.319 -0.046) 15.347 12.411 ( -1.450 -19.928 -0.171) 19.981 14.302 ( -0.070 21.536 -0.012) 21.536 14.745 ( 0.043 -21.916 0.038) 21.916 16.899 ( 0.902 1.122 0.122) 1.445 16.910 ( -0.515 -4.184 -0.128) 4.217 18.799 ( -0.133 2.961 -0.149) 2.968 18.801 ( 0.064 3.569 0.110) 3.572 ======================= Grid point 36 (28/322) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -0.181 5.863 0.069) 5.866 1.718 ( 0.103 3.328 -0.050) 3.330 1.838 ( -0.298 19.844 0.113) 19.847 2.312 ( -0.057 -2.528 0.041) 2.529 2.359 ( 0.031 -2.436 -0.151) 2.441 2.449 ( -0.071 9.435 -0.085) 9.435 2.469 ( -0.003 10.409 0.042) 10.409 2.660 ( 0.491 0.021 0.127) 0.508 2.667 ( -0.675 5.049 -0.476) 5.116 2.735 ( 0.123 1.880 0.088) 1.886 2.758 ( 0.253 0.050 0.104) 0.278 2.838 ( 0.135 -0.825 0.098) 0.842 4.919 ( -0.043 18.643 -0.033) 18.644 5.029 ( -0.010 9.985 0.096) 9.986 5.222 ( -0.001 5.616 -0.153) 5.618 5.893 ( 0.451 -3.005 -1.361) 3.329 5.929 ( -0.533 14.049 1.282) 14.118 6.245 ( 0.429 7.027 0.193) 7.042 7.045 ( -0.055 7.812 0.052) 7.813 7.143 ( -0.005 3.892 -0.033) 3.892 9.469 ( 0.008 7.015 0.021) 7.015 9.573 ( -0.001 16.001 0.064) 16.001 9.945 ( 0.061 -7.095 0.054) 7.095 10.174 ( -0.036 -10.783 -0.018) 10.783 10.417 ( -0.088 -19.523 0.438) 19.528 10.486 ( 0.065 -12.772 -0.484) 12.781 11.252 ( 0.058 2.717 -0.024) 2.718 11.328 ( -0.165 3.555 0.010) 3.559 11.875 ( 0.134 9.205 -0.145) 9.207 12.891 ( -0.869 -28.262 -0.139) 28.275 13.896 ( -0.049 18.404 -0.004) 18.404 15.173 ( 0.011 -20.507 0.040) 20.507 16.879 ( 0.796 1.941 0.056) 2.099 17.008 ( -0.167 -5.290 -0.060) 5.293 18.663 ( 0.020 10.371 0.015) 10.371 18.675 ( -0.122 9.513 -0.078) 9.514 ======================= Grid point 37 (29/322) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 0.000 22.183 0.000) 22.183 1.520 ( 0.000 8.082 0.000) 8.082 1.642 ( 0.000 4.020 0.000) 4.020 2.187 ( 0.000 15.891 0.000) 15.891 2.194 ( 0.000 16.420 0.000) 16.420 2.352 ( 0.000 0.445 0.000) 0.445 2.397 ( 0.000 0.840 0.000) 0.840 2.472 ( 0.000 10.515 0.000) 10.515 2.533 ( 0.000 8.031 0.000) 8.031 2.752 ( 0.000 0.186 0.000) 0.186 2.826 ( -0.000 -5.325 -0.000) 5.325 2.874 ( -0.000 -2.399 -0.000) 2.399 4.398 ( 0.000 29.604 0.000) 29.604 4.968 ( -0.000 -0.307 -0.000) 0.307 5.023 ( 0.000 13.628 0.000) 13.628 5.659 ( 0.000 11.467 0.000) 11.467 5.695 ( 0.000 23.418 0.000) 23.418 6.174 ( 0.000 0.385 0.000) 0.385 6.840 ( 0.000 12.648 0.000) 12.648 7.036 ( 0.000 6.448 0.000) 6.448 9.107 ( 0.000 29.659 0.000) 29.659 9.379 ( 0.000 0.337 0.000) 0.337 10.153 ( -0.000 -11.686 -0.000) 11.686 10.370 ( -0.000 -6.964 -0.000) 6.964 10.653 ( -0.000 -2.127 -0.000) 2.127 10.741 ( -0.000 -7.755 -0.000) 7.755 11.269 ( -0.000 -3.920 -0.000) 3.920 11.436 ( -0.000 -20.412 -0.000) 20.412 11.860 ( -0.000 -10.824 -0.000) 10.824 13.426 ( -0.000 -8.054 -0.000) 8.054 13.681 ( -0.000 -14.125 -0.000) 14.125 15.559 ( -0.000 -17.714 -0.000) 17.714 16.795 ( 0.000 7.297 0.000) 7.297 17.100 ( -0.000 -3.316 -0.000) 3.316 18.380 ( 0.000 17.885 0.000) 17.885 18.413 ( 0.000 16.570 0.000) 16.570 ======================= Grid point 42 (30/322) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.175 ( 6.617 0.000 1.043) 6.698 0.197 ( 7.462 0.000 -5.047) 9.008 0.404 ( 14.302 0.000 -0.203) 14.303 0.639 ( -2.027 -0.000 -0.440) 2.074 0.965 ( -0.771 -0.000 0.173) 0.790 1.329 ( 1.465 0.000 -0.013) 1.465 1.423 ( -1.307 -0.000 -0.889) 1.581 1.436 ( -0.884 -0.000 -0.023) 0.884 2.257 ( -0.272 -0.000 -0.181) 0.327 2.551 ( -0.769 -0.000 1.480) 1.668 2.680 ( 0.803 0.000 -0.382) 0.889 2.868 ( 0.276 0.000 1.041) 1.076 3.038 ( -1.235 -0.000 -1.233) 1.746 3.181 ( -1.177 -0.000 0.166) 1.189 4.906 ( 0.300 0.000 0.864) 0.915 5.286 ( -1.308 -0.000 -0.288) 1.340 5.534 ( -0.041 -0.000 -0.061) 0.074 5.553 ( -0.053 -0.000 -0.033) 0.062 5.916 ( -0.295 -0.000 -0.013) 0.295 6.642 ( 0.038 0.000 0.002) 0.038 6.813 ( -0.226 -0.000 0.657) 0.694 9.931 ( 0.414 0.000 0.573) 0.707 10.033 ( -1.647 -0.000 0.338) 1.681 10.440 ( 1.239 0.000 -1.283) 1.783 10.630 ( -0.048 -0.000 -0.543) 0.545 11.078 ( -0.736 -0.000 -2.636) 2.736 11.664 ( 0.002 0.000 0.031) 0.031 11.844 ( -0.215 -0.000 -0.927) 0.952 13.076 ( -0.041 -0.000 0.666) 0.667 14.341 ( -0.160 -0.000 2.335) 2.340 14.363 ( 0.087 0.000 -2.333) 2.335 16.088 ( 0.121 0.000 0.528) 0.542 16.140 ( 0.137 0.000 -1.049) 1.058 16.584 ( 0.879 0.000 1.855) 2.052 16.735 ( -0.071 -0.000 -0.032) 0.078 18.023 ( -0.062 -0.000 1.492) 1.494 ======================= Grid point 43 (31/322) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 11.336 -4.131 -0.534) 12.077 0.684 ( 2.646 -26.494 -1.410) 26.663 0.854 ( 0.041 -29.404 1.058) 29.423 0.903 ( -0.403 -21.316 -0.239) 21.321 1.375 ( -1.207 -21.885 -0.455) 21.923 1.436 ( -1.220 -3.014 -0.320) 3.268 1.491 ( 1.563 -14.713 -0.433) 14.802 2.027 ( -10.627 -45.181 -1.730) 46.446 2.337 ( -0.188 -6.327 -1.755) 6.568 2.542 ( -0.844 0.428 2.060) 2.267 2.758 ( 1.124 -9.019 -2.550) 9.440 2.885 ( -0.136 -2.831 2.474) 3.762 3.021 ( -1.380 0.672 -0.023) 1.536 3.187 ( -2.181 -3.685 -0.023) 4.282 4.879 ( 0.274 1.430 0.908) 1.716 5.160 ( -1.014 6.832 -0.305) 6.913 5.674 ( -0.067 -12.111 0.243) 12.114 5.714 ( 1.952 11.993 -0.281) 12.154 5.786 ( -0.053 -17.600 -0.452) 17.606 6.814 ( -0.231 -0.302 1.040) 1.108 7.001 ( 1.347 -29.085 -0.043) 29.116 9.835 ( -1.257 7.282 -0.340) 7.397 10.063 ( -1.505 -4.152 -0.056) 4.417 10.416 ( 0.110 -0.072 -0.559) 0.574 10.570 ( -0.689 2.914 0.037) 2.995 11.053 ( -0.699 2.211 -0.898) 2.486 11.778 ( -0.402 5.839 -0.880) 5.918 13.076 ( 0.135 0.184 -1.832) 1.846 13.324 ( -31.155 -73.420 2.851) 79.808 13.898 ( 0.657 37.993 -8.860) 39.018 14.070 ( -11.167 -2.539 5.130) 12.548 16.184 ( -0.186 -1.600 0.282) 1.635 16.358 ( 1.998 10.492 -0.319) 10.686 16.615 ( -0.101 -8.648 0.073) 8.649 16.809 ( 0.877 -23.323 1.711) 23.402 17.663 ( 9.589 17.704 1.155) 20.167 ======================= Grid point 44 (32/322) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 6.872 -13.831 0.044) 15.444 1.120 ( 1.789 -16.094 -0.386) 16.198 1.360 ( -0.181 -23.441 1.209) 23.473 1.377 ( -0.133 -23.720 0.221) 23.721 1.475 ( -0.980 -3.310 -1.560) 3.789 1.780 ( 0.373 -18.912 -0.291) 18.918 1.854 ( -0.719 -18.618 0.445) 18.637 2.421 ( 0.212 -1.661 -2.092) 2.680 2.497 ( -1.315 -0.024 1.781) 2.214 2.639 ( -1.555 -9.176 -0.232) 9.310 2.944 ( -0.213 0.563 1.781) 1.880 2.965 ( 0.579 -1.350 -4.084) 4.340 3.172 ( -0.170 -24.831 0.043) 24.832 3.620 ( -5.779 -45.584 1.165) 45.963 4.900 ( -0.049 -4.310 0.990) 4.423 5.060 ( -0.406 3.012 -0.268) 3.051 5.533 ( 0.670 6.088 -0.643) 6.158 5.940 ( -0.015 -12.672 0.419) 12.679 6.169 ( 0.097 -19.598 -0.637) 19.608 6.833 ( -0.122 -2.083 0.547) 2.157 7.692 ( 1.753 -37.273 0.017) 37.314 9.649 ( -1.584 10.092 -0.518) 10.229 10.185 ( -0.866 -8.258 0.066) 8.303 10.442 ( -0.299 -0.578 -0.639) 0.912 10.519 ( 0.244 0.553 0.585) 0.841 10.979 ( -0.360 5.052 -0.483) 5.088 11.612 ( -0.233 10.146 -0.402) 10.157 12.896 ( 0.196 32.851 0.325) 32.853 13.039 ( -0.097 37.709 1.817) 37.753 13.245 ( 0.167 8.818 -1.272) 8.911 15.082 ( -5.143 -32.771 -2.194) 33.245 15.712 ( -12.804 18.122 0.707) 22.200 16.102 ( -0.206 8.385 -0.010) 8.387 17.022 ( 1.153 -15.021 0.150) 15.066 17.388 ( 0.479 -30.263 0.971) 30.283 17.652 ( 3.259 -12.384 0.335) 12.810 ======================= Grid point 45 (33/322) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 3.624 -19.516 0.114) 19.849 1.375 ( 1.226 -9.696 -0.132) 9.774 1.540 ( -0.923 -4.022 0.174) 4.131 1.815 ( 0.025 -20.982 -0.223) 20.983 1.824 ( 0.143 -20.629 0.051) 20.629 2.147 ( 0.593 -16.858 -1.030) 16.900 2.200 ( -0.490 -15.731 1.680) 15.828 2.427 ( 0.764 0.589 -3.601) 3.728 2.468 ( -1.396 1.549 3.307) 3.909 2.712 ( -0.963 -1.400 -0.279) 1.722 2.902 ( -0.116 2.760 0.182) 2.769 2.927 ( -0.199 3.616 -0.342) 3.638 3.778 ( 0.308 -32.297 -0.833) 32.309 4.538 ( -2.521 -38.214 0.529) 38.301 5.012 ( 0.209 2.204 0.733) 2.332 5.103 ( -1.340 -18.571 0.109) 18.619 5.503 ( 0.047 -3.690 -1.148) 3.865 6.129 ( -0.008 -5.441 0.532) 5.466 6.543 ( 0.118 -17.094 -0.626) 17.106 6.910 ( 0.036 -5.649 0.140) 5.651 8.448 ( 0.899 -36.327 -0.149) 36.338 9.456 ( -0.508 7.609 -0.204) 7.628 10.356 ( -0.550 -6.650 4.464) 8.029 10.357 ( 0.307 7.039 -4.828) 8.541 10.595 ( -0.018 -5.358 0.383) 5.372 10.855 ( -0.029 6.447 -0.023) 6.447 11.402 ( -0.097 9.540 0.005) 9.541 12.092 ( 0.233 39.456 0.257) 39.457 12.322 ( 0.416 31.362 0.342) 31.367 13.299 ( 0.145 -7.769 0.230) 7.774 14.546 ( 6.344 44.584 -0.023) 45.034 15.874 ( -0.060 13.610 -0.319) 13.614 16.193 ( -11.902 -31.876 -0.268) 34.026 17.159 ( 0.930 -0.753 0.173) 1.209 17.953 ( 0.231 -25.128 0.548) 25.136 18.043 ( 0.816 -21.480 0.134) 21.496 ======================= Grid point 46 (34/322) ======================= q-point: ( 0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 1.827 -20.676 -0.212) 20.758 1.543 ( 0.717 -7.035 0.020) 7.071 1.622 ( -0.612 -4.362 0.125) 4.406 2.191 ( 0.029 -16.067 0.255) 16.069 2.195 ( 0.087 -15.986 -0.298) 15.989 2.368 ( -0.362 0.398 0.735) 0.911 2.391 ( 0.726 -0.934 -1.574) 1.969 2.493 ( 0.219 -9.909 4.358) 10.827 2.507 ( -0.527 -10.678 -2.832) 11.059 2.723 ( -0.817 -0.274 -0.314) 0.918 2.823 ( 0.269 5.590 0.563) 5.625 2.856 ( -0.612 2.531 -0.590) 2.670 4.407 ( 0.248 -29.581 -0.285) 29.583 4.977 ( 0.219 0.669 -0.001) 0.703 5.014 ( -0.240 -14.580 0.522) 14.591 5.604 ( -1.805 -24.215 3.309) 24.507 5.678 ( 0.139 -13.155 -3.854) 13.709 6.166 ( -0.157 0.611 0.248) 0.678 6.844 ( 0.104 -12.729 -0.347) 12.734 7.040 ( 0.085 -6.416 0.038) 6.416 9.114 ( 0.238 -28.968 -0.199) 28.969 9.380 ( 0.030 -0.719 -0.051) 0.721 10.152 ( -0.033 12.081 -0.206) 12.083 10.372 ( 0.035 6.564 0.013) 6.564 10.646 ( -0.126 2.207 -0.307) 2.232 10.743 ( -0.021 7.794 0.652) 7.821 11.264 ( -0.125 4.131 0.175) 4.136 11.455 ( 0.432 19.832 -0.263) 19.839 11.872 ( 0.215 11.535 0.599) 11.553 13.475 ( 0.819 -2.166 0.342) 2.341 13.768 ( 2.322 26.478 0.002) 26.580 15.558 ( -0.019 17.706 -0.147) 17.707 16.613 ( -4.177 -14.069 -0.191) 14.677 17.122 ( 0.444 3.897 0.166) 3.925 18.383 ( 0.069 -17.628 0.154) 17.629 18.432 ( 0.406 -16.315 0.174) 16.321 ======================= Grid point 47 (35/322) ======================= q-point: ( 0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 0.383 -5.166 -0.076) 5.180 1.703 ( -0.298 -3.672 0.030) 3.685 1.879 ( 0.728 -18.610 -0.233) 18.626 2.311 ( -0.187 2.757 0.035) 2.763 2.357 ( 0.007 1.495 0.120) 1.500 2.463 ( 0.325 -9.510 0.446) 9.526 2.468 ( -0.104 -9.705 -0.299) 9.710 2.671 ( 0.855 3.353 1.666) 3.840 2.696 ( -0.292 -4.094 -0.561) 4.143 2.702 ( -0.472 -7.605 -0.709) 7.653 2.735 ( -0.244 0.419 0.012) 0.485 2.816 ( -0.393 1.134 -0.274) 1.231 4.924 ( 0.080 -17.607 0.080) 17.607 5.031 ( 0.079 -10.432 -0.210) 10.434 5.224 ( 0.001 -6.008 0.312) 6.016 5.862 ( -0.474 0.162 1.074) 1.185 5.971 ( 0.678 -15.227 -0.947) 15.271 6.187 ( -0.906 -4.770 -0.384) 4.871 7.052 ( 0.104 -7.942 -0.078) 7.943 7.144 ( 0.004 -3.634 0.073) 3.634 9.469 ( 0.002 -6.625 -0.042) 6.625 9.575 ( 0.048 -15.991 -0.108) 15.991 9.937 ( -0.135 7.335 -0.108) 7.337 10.178 ( 0.072 10.814 0.039) 10.814 10.426 ( 0.232 18.940 -1.058) 18.971 10.479 ( -0.210 12.714 1.134) 12.767 11.245 ( -0.100 -2.611 0.034) 2.613 11.350 ( 0.341 -3.273 -0.012) 3.291 11.859 ( -0.265 -7.446 0.285) 7.456 13.000 ( 1.608 29.159 0.264) 29.205 13.902 ( 0.104 -18.242 0.003) 18.242 15.172 ( -0.024 20.559 -0.080) 20.559 16.778 ( -1.547 -4.802 -0.107) 5.046 17.029 ( 0.316 5.012 0.123) 5.023 18.661 ( -0.022 -10.131 -0.033) 10.131 18.690 ( 0.220 -9.321 0.154) 9.325 ======================= Grid point 48 (36/322) ======================= q-point: ( 0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.113 -2.547 -0.018) 2.549 1.754 ( -0.099 -1.050 0.013) 1.055 2.209 ( 0.189 -13.236 -0.515) 13.247 2.264 ( -0.103 1.377 0.235) 1.401 2.334 ( 0.100 -0.393 0.330) 0.523 2.463 ( -0.080 10.335 0.009) 10.335 2.601 ( 0.077 -3.395 0.021) 3.396 2.623 ( -0.025 -2.196 0.025) 2.196 2.736 ( -0.225 -0.425 -0.038) 0.482 2.768 ( 0.220 -0.854 0.035) 0.883 2.814 ( 0.500 -1.483 0.016) 1.566 2.822 ( -0.618 -2.860 -0.081) 2.927 5.101 ( -0.029 -7.452 0.091) 7.453 5.239 ( 0.071 4.033 -0.270) 4.042 5.400 ( 0.016 -18.258 0.279) 18.260 5.706 ( -0.060 12.579 -0.008) 12.579 6.241 ( 1.633 -9.081 1.015) 9.283 6.268 ( -1.706 -2.028 -1.146) 2.887 7.162 ( 0.066 -3.162 0.043) 3.163 7.182 ( -0.046 -0.266 -0.003) 0.270 9.591 ( -0.043 -5.924 -0.027) 5.925 9.717 ( 0.025 2.394 -0.014) 2.394 9.896 ( -0.083 -1.991 -0.001) 1.992 9.976 ( 0.066 6.833 0.008) 6.833 10.192 ( 0.145 3.370 -0.293) 3.386 10.242 ( -0.112 8.640 0.286) 8.646 11.334 ( -0.080 -4.891 -0.023) 4.892 11.403 ( 0.129 -0.170 0.032) 0.216 12.077 ( -0.375 -13.544 0.030) 13.550 12.497 ( 0.617 21.399 0.081) 21.408 14.307 ( 0.039 -21.463 0.007) 21.463 14.742 ( -0.026 21.999 -0.023) 21.999 16.840 ( -0.462 -2.756 -0.052) 2.795 16.944 ( 0.262 3.287 0.058) 3.298 18.795 ( -0.047 -3.361 -0.058) 3.362 18.810 ( 0.082 -2.715 0.078) 2.717 ======================= Grid point 49 (37/322) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.000 2.924 0.000) 2.924 1.764 ( 0.000 0.921 0.000) 0.921 2.194 ( 0.000 15.025 0.000) 15.025 2.270 ( -0.000 -0.824 -0.000) 0.824 2.315 ( -0.000 -1.696 -0.000) 1.696 2.474 ( -0.000 -8.619 -0.000) 8.619 2.611 ( 0.000 3.723 0.000) 3.723 2.612 ( 0.000 1.648 0.000) 1.648 2.736 ( 0.000 0.845 0.000) 0.845 2.766 ( 0.000 0.598 0.000) 0.598 2.808 ( 0.000 2.239 0.000) 2.239 2.844 ( 0.000 0.577 0.000) 0.577 5.108 ( 0.000 7.680 0.000) 7.680 5.231 ( -0.000 -4.221 -0.000) 4.221 5.394 ( 0.000 18.344 0.000) 18.344 5.713 ( -0.000 -12.867 -0.000) 12.867 6.178 ( 0.000 9.353 0.000) 9.353 6.341 ( 0.000 0.765 0.000) 0.765 7.154 ( 0.000 3.205 0.000) 3.205 7.187 ( 0.000 0.520 0.000) 0.520 9.599 ( 0.000 6.087 0.000) 6.087 9.712 ( -0.000 -2.746 -0.000) 2.746 9.907 ( 0.000 1.970 0.000) 1.970 9.967 ( -0.000 -7.089 -0.000) 7.089 10.181 ( -0.000 -3.044 -0.000) 3.044 10.249 ( -0.000 -8.553 -0.000) 8.553 11.346 ( 0.000 5.140 0.000) 5.140 11.387 ( 0.000 0.447 0.000) 0.447 12.132 ( 0.000 15.510 0.000) 15.510 12.405 ( -0.000 -19.918 -0.000) 19.918 14.302 ( 0.000 21.542 0.000) 21.542 14.746 ( -0.000 -21.912 -0.000) 21.912 16.903 ( 0.000 1.076 0.000) 1.076 16.908 ( -0.000 -4.294 -0.000) 4.294 18.798 ( 0.000 2.946 0.000) 2.946 18.802 ( 0.000 3.612 0.000) 3.612 ======================= Grid point 56 (38/322) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.224 ( 5.561 0.000 0.878) 5.629 0.247 ( 5.877 0.000 -3.743) 6.968 0.504 ( 11.053 0.000 -0.102) 11.054 0.622 ( -2.235 -0.000 -0.466) 2.283 0.959 ( -0.679 -0.000 0.162) 0.698 1.341 ( 1.553 0.000 -0.009) 1.553 1.412 ( -1.283 -0.000 -0.879) 1.555 1.429 ( -1.034 -0.000 -0.024) 1.034 2.255 ( -0.210 -0.000 -0.649) 0.682 2.546 ( -0.693 -0.000 1.296) 1.469 2.686 ( 0.792 0.000 -0.991) 1.269 2.871 ( 0.248 0.000 1.041) 1.070 3.027 ( -1.273 -0.000 -0.935) 1.580 3.172 ( -1.076 -0.000 0.142) 1.085 4.909 ( 0.289 0.000 0.805) 0.855 5.275 ( -1.233 -0.000 -0.375) 1.289 5.534 ( -0.039 -0.000 -0.058) 0.070 5.553 ( -0.050 -0.000 -0.031) 0.059 5.914 ( -0.263 -0.000 0.110) 0.285 6.643 ( 0.036 0.000 0.002) 0.036 6.812 ( -0.227 -0.000 0.624) 0.664 9.935 ( 0.653 0.000 0.925) 1.133 10.020 ( -1.687 -0.000 -0.481) 1.754 10.449 ( 1.077 0.000 -1.157) 1.581 10.629 ( -0.039 -0.000 -0.554) 0.555 11.071 ( -0.764 -0.000 -1.581) 1.756 11.664 ( 0.002 0.000 0.029) 0.029 11.842 ( -0.201 -0.000 -0.867) 0.890 13.076 ( -0.051 -0.000 0.738) 0.739 14.341 ( -0.151 -0.000 2.242) 2.248 14.363 ( 0.083 0.000 -2.241) 2.242 16.089 ( 0.104 0.000 0.481) 0.492 16.141 ( 0.147 0.000 -0.704) 0.719 16.592 ( 0.809 0.000 1.741) 1.920 16.735 ( -0.067 -0.000 -0.030) 0.073 18.023 ( -0.022 -0.000 0.685) 0.685 ======================= Grid point 57 (39/322) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 8.091 -3.416 -0.401) 8.792 0.703 ( 2.250 -26.016 -1.182) 26.140 0.856 ( 0.294 -28.234 0.929) 28.251 0.900 ( -0.406 -21.908 -0.159) 21.912 1.367 ( -0.888 -22.062 -0.375) 22.083 1.427 ( -1.062 -3.092 -0.420) 3.296 1.502 ( 1.214 -14.322 -0.243) 14.375 1.957 ( -6.902 -46.669 -1.041) 47.188 2.335 ( -0.132 -6.360 -1.535) 6.544 2.537 ( -0.695 0.483 1.666) 1.868 2.765 ( 0.971 -9.145 -2.315) 9.484 2.885 ( -0.018 -2.657 2.080) 3.374 3.011 ( -1.236 0.773 -0.055) 1.459 3.172 ( -1.472 -2.615 -0.036) 3.001 4.881 ( 0.242 1.469 0.753) 1.668 5.152 ( -0.864 6.702 -0.296) 6.764 5.674 ( -0.054 -12.125 0.198) 12.126 5.726 ( 1.107 11.989 -0.184) 12.041 5.786 ( -0.039 -17.618 -0.375) 17.622 6.813 ( -0.185 -0.307 0.889) 0.958 7.009 ( 0.815 -29.785 -0.105) 29.796 9.827 ( -0.744 8.168 -0.289) 8.207 10.052 ( -1.174 -4.333 0.046) 4.489 10.417 ( 0.122 0.247 -0.619) 0.677 10.566 ( -0.471 2.759 0.079) 2.800 11.047 ( -0.596 2.112 -0.707) 2.305 11.775 ( -0.338 5.766 -0.740) 5.823 13.076 ( 0.512 -0.581 -9.977) 10.007 13.124 ( -20.062 -84.602 10.180) 87.542 13.898 ( 0.368 37.973 -5.801) 38.416 14.019 ( -3.863 13.018 4.330) 14.253 16.182 ( -0.155 -1.619 0.112) 1.630 16.369 ( 0.914 9.413 -0.217) 9.459 16.614 ( -0.048 -8.590 0.071) 8.590 16.816 ( 0.686 -23.201 1.417) 23.255 17.720 ( 5.123 17.106 0.575) 17.866 ======================= Grid point 58 (40/322) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 4.609 -12.808 0.037) 13.612 1.132 ( 1.332 -15.935 -0.299) 15.994 1.359 ( -0.153 -23.413 0.948) 23.433 1.376 ( -0.058 -23.780 0.210) 23.781 1.468 ( -0.740 -3.485 -1.230) 3.769 1.783 ( 0.288 -19.245 -0.224) 19.249 1.849 ( -0.532 -18.340 0.331) 18.351 2.421 ( 0.249 -1.837 -1.651) 2.482 2.488 ( -1.055 -0.355 1.401) 1.790 2.628 ( -1.097 -9.675 -0.150) 9.738 2.943 ( -0.096 0.826 1.205) 1.464 2.967 ( 0.395 -1.022 -2.821) 3.026 3.170 ( -0.130 -25.442 0.008) 25.442 3.582 ( -3.811 -45.647 0.860) 45.814 4.900 ( -0.022 -4.098 0.698) 4.157 5.057 ( -0.315 2.739 -0.216) 2.766 5.537 ( 0.402 6.419 -0.430) 6.446 5.940 ( -0.007 -12.696 0.301) 12.700 6.170 ( 0.066 -19.627 -0.454) 19.632 6.833 ( -0.086 -2.118 0.394) 2.156 7.704 ( 1.188 -37.191 0.000) 37.210 9.638 ( -1.060 9.875 -0.359) 9.938 10.180 ( -0.570 -8.435 0.074) 8.455 10.439 ( -0.257 -0.508 -0.484) 0.747 10.521 ( 0.174 0.313 0.413) 0.546 10.976 ( -0.258 4.921 -0.339) 4.939 11.610 ( -0.170 10.085 -0.288) 10.091 12.898 ( 0.152 32.800 0.223) 32.801 13.039 ( -0.054 37.260 1.276) 37.281 13.245 ( 0.094 8.792 -0.903) 8.839 15.041 ( -4.515 -57.300 -1.538) 57.498 15.635 ( -6.864 38.002 0.644) 38.622 16.101 ( -0.127 8.364 -0.051) 8.365 17.029 ( 0.616 -15.401 0.113) 15.413 17.392 ( 0.334 -30.169 0.689) 30.178 17.673 ( 2.034 -10.996 0.195) 11.184 ======================= Grid point 59 (41/322) ======================= q-point: ( 0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 2.019 -18.970 0.067) 19.077 1.383 ( 0.748 -9.589 -0.092) 9.618 1.534 ( -0.571 -4.082 0.110) 4.124 1.815 ( 0.010 -20.964 -0.113) 20.964 1.825 ( 0.093 -20.675 0.015) 20.675 2.150 ( 0.356 -16.762 -0.662) 16.779 2.198 ( -0.304 -16.011 1.030) 16.047 2.431 ( 0.742 0.433 -2.994) 3.114 2.459 ( -1.103 1.695 2.835) 3.482 2.706 ( -0.561 -1.404 -0.168) 1.521 2.901 ( -0.007 2.578 0.147) 2.582 2.925 ( -0.153 3.856 -0.233) 3.866 3.779 ( 0.177 -32.324 -0.476) 32.328 4.523 ( -1.421 -39.326 0.310) 39.353 5.014 ( 0.124 2.123 0.436) 2.170 5.094 ( -0.730 -17.846 0.011) 17.861 5.503 ( 0.009 -3.672 -0.629) 3.725 6.129 ( -0.001 -5.423 0.303) 5.431 6.543 ( 0.064 -17.097 -0.354) 17.101 6.911 ( 0.020 -5.689 0.080) 5.689 8.453 ( 0.519 -36.088 -0.084) 36.092 9.453 ( -0.279 7.343 -0.113) 7.349 10.354 ( -0.208 -7.388 0.835) 7.438 10.357 ( 0.066 7.599 -1.037) 7.669 10.595 ( -0.016 -5.246 0.210) 5.250 10.855 ( -0.016 6.370 -0.012) 6.371 11.401 ( -0.058 9.517 0.001) 9.518 12.093 ( 0.129 39.414 0.141) 39.415 12.325 ( 0.234 31.338 0.196) 31.340 13.300 ( 0.078 -7.813 0.126) 7.815 14.587 ( 3.767 46.247 -0.013) 46.401 15.874 ( -0.040 13.512 -0.201) 13.513 16.118 ( -6.804 -35.357 -0.121) 36.006 17.164 ( 0.473 -0.625 0.097) 0.790 17.954 ( 0.132 -25.070 0.310) 25.073 18.048 ( 0.452 -21.284 0.072) 21.289 ======================= Grid point 60 (42/322) ======================= q-point: ( 0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( 0.650 -20.474 -0.065) 20.484 1.547 ( 0.296 -6.921 -0.022) 6.928 1.619 ( -0.246 -4.414 0.062) 4.421 2.191 ( -0.001 -16.098 0.078) 16.098 2.195 ( 0.044 -15.903 -0.094) 15.903 2.366 ( -0.178 -0.094 0.232) 0.308 2.395 ( 0.331 0.014 -0.569) 0.658 2.496 ( -0.055 -10.268 2.687) 10.614 2.504 ( -0.079 -10.969 -2.095) 11.168 2.719 ( -0.305 -0.241 -0.121) 0.408 2.825 ( 0.156 5.784 0.260) 5.792 2.852 ( -0.272 2.361 -0.268) 2.392 4.409 ( 0.090 -29.577 -0.103) 29.577 4.978 ( 0.081 0.754 -0.002) 0.759 5.013 ( -0.087 -14.751 0.191) 14.753 5.595 ( -0.654 -24.797 1.061) 24.828 5.677 ( 0.050 -12.854 -1.261) 12.916 6.166 ( -0.054 0.719 0.091) 0.727 6.844 ( 0.037 -12.741 -0.125) 12.742 7.040 ( 0.031 -6.411 0.014) 6.411 9.115 ( 0.091 -28.876 -0.071) 28.876 9.380 ( 0.012 -0.765 -0.018) 0.765 10.152 ( -0.014 12.127 -0.075) 12.127 10.372 ( 0.012 6.514 0.005) 6.514 10.645 ( -0.044 2.206 -0.109) 2.209 10.743 ( -0.008 7.812 0.232) 7.816 11.263 ( -0.045 4.144 0.062) 4.145 11.457 ( 0.154 19.760 -0.094) 19.761 11.873 ( 0.076 11.630 0.216) 11.632 13.480 ( 0.274 -3.136 0.120) 3.150 13.781 ( 0.860 27.747 0.003) 27.760 15.557 ( -0.007 17.705 -0.053) 17.705 16.590 ( -1.507 -14.907 -0.068) 14.983 17.125 ( 0.157 3.931 0.060) 3.934 18.384 ( 0.026 -17.594 0.056) 17.594 18.434 ( 0.146 -16.285 0.063) 16.286 ======================= Grid point 61 (43/322) ======================= q-point: ( 0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -0.000 -5.123 -0.000) 5.123 1.702 ( -0.000 -3.706 -0.000) 3.706 1.882 ( -0.000 -18.525 -0.000) 18.525 2.310 ( 0.000 2.739 0.000) 2.739 2.357 ( 0.000 1.474 0.000) 1.474 2.464 ( -0.000 -9.448 -0.000) 9.448 2.467 ( -0.000 -9.738 -0.000) 9.738 2.676 ( 0.000 6.596 0.000) 6.596 2.692 ( -0.000 -6.975 -0.000) 6.975 2.702 ( -0.000 -8.161 -0.000) 8.161 2.734 ( 0.000 0.541 0.000) 0.541 2.815 ( 0.000 1.173 0.000) 1.173 4.925 ( -0.000 -17.545 -0.000) 17.545 5.031 ( -0.000 -10.465 -0.000) 10.465 5.224 ( -0.000 -6.025 -0.000) 6.025 5.861 ( 0.000 0.088 0.000) 0.088 5.973 ( -0.000 -15.502 -0.000) 15.502 6.183 ( -0.000 -4.529 -0.000) 4.529 7.052 ( -0.000 -7.951 -0.000) 7.951 7.144 ( -0.000 -3.617 -0.000) 3.617 9.469 ( -0.000 -6.603 -0.000) 6.603 9.575 ( -0.000 -15.984 -0.000) 15.984 9.936 ( 0.000 7.349 0.000) 7.349 10.179 ( 0.000 10.815 0.000) 10.815 10.426 ( 0.000 18.918 0.000) 18.918 10.479 ( 0.000 12.698 0.000) 12.698 11.244 ( -0.000 -2.603 -0.000) 2.603 11.351 ( -0.000 -3.261 -0.000) 3.261 11.858 ( -0.000 -7.344 -0.000) 7.344 13.006 ( 0.000 29.219 0.000) 29.219 13.903 ( -0.000 -18.230 -0.000) 18.230 15.172 ( 0.000 20.562 0.000) 20.562 16.771 ( -0.000 -4.976 -0.000) 4.976 17.030 ( 0.000 4.991 0.000) 4.991 18.661 ( -0.000 -10.116 -0.000) 10.116 18.691 ( -0.000 -9.310 -0.000) 9.310 ======================= Grid point 71 (44/322) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 3.869 0.000 0.613) 3.918 0.284 ( 3.786 0.000 -2.290) 4.425 0.576 ( 7.008 0.000 -0.031) 7.008 0.605 ( -1.860 -0.000 -0.374) 1.898 0.955 ( -0.456 -0.000 0.114) 0.471 1.352 ( 1.317 0.000 -0.003) 1.317 1.403 ( -0.943 -0.000 -0.651) 1.146 1.421 ( -0.963 -0.000 -0.019) 0.964 2.253 ( -0.129 -0.000 -0.608) 0.621 2.542 ( -0.477 -0.000 0.875) 0.997 2.691 ( 0.574 0.000 -0.881) 1.051 2.873 ( 0.169 0.000 0.784) 0.802 3.018 ( -0.966 -0.000 -0.607) 1.141 3.164 ( -0.743 -0.000 0.091) 0.748 4.911 ( 0.209 0.000 0.565) 0.602 5.267 ( -0.877 -0.000 -0.299) 0.927 5.533 ( -0.028 -0.000 -0.042) 0.050 5.552 ( -0.036 -0.000 -0.021) 0.042 5.912 ( -0.176 -0.000 0.115) 0.210 6.643 ( 0.026 0.000 0.001) 0.026 6.811 ( -0.169 -0.000 0.446) 0.477 9.942 ( 0.751 0.000 1.049) 1.290 10.007 ( -1.421 -0.000 -0.853) 1.658 10.456 ( 0.716 0.000 -0.792) 1.068 10.629 ( -0.024 -0.000 -0.419) 0.420 11.065 ( -0.567 -0.000 -0.854) 1.025 11.664 ( 0.001 0.000 0.021) 0.021 11.840 ( -0.142 -0.000 -0.611) 0.627 13.076 ( -0.041 -0.000 0.555) 0.557 14.341 ( -0.108 -0.000 1.619) 1.622 14.362 ( 0.059 0.000 -1.618) 1.619 16.090 ( 0.068 0.000 0.330) 0.337 16.142 ( 0.120 0.000 -0.407) 0.424 16.598 ( 0.563 0.000 1.232) 1.354 16.734 ( -0.047 -0.000 -0.022) 0.052 18.023 ( -0.007 -0.000 0.271) 0.271 ======================= Grid point 72 (45/322) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 4.172 -3.135 -0.219) 5.223 0.717 ( 1.298 -25.683 -0.677) 25.725 0.859 ( 0.268 -27.224 0.557) 27.231 0.897 ( -0.242 -22.417 -0.077) 22.418 1.361 ( -0.472 -22.160 -0.218) 22.166 1.420 ( -0.619 -3.243 -0.273) 3.313 1.509 ( 0.668 -13.910 -0.111) 13.927 1.916 ( -3.353 -47.006 -0.482) 47.127 2.334 ( -0.065 -6.387 -0.893) 6.449 2.533 ( -0.393 0.527 0.930) 1.139 2.770 ( 0.568 -9.267 -1.384) 9.387 2.886 ( 0.011 -2.576 1.217) 2.849 3.003 ( -0.738 0.875 -0.051) 1.146 3.163 ( -0.746 -2.041 -0.026) 2.174 4.883 ( 0.142 1.494 0.425) 1.560 5.147 ( -0.496 6.615 -0.180) 6.636 5.673 ( -0.030 -12.133 0.113) 12.134 5.732 ( 0.488 11.865 -0.090) 11.875 5.785 ( -0.020 -17.608 -0.211) 17.609 6.812 ( -0.102 -0.303 0.511) 0.603 7.014 ( 0.372 -30.268 -0.082) 30.270 9.823 ( -0.322 8.830 -0.164) 8.837 10.045 ( -0.637 -4.488 0.056) 4.534 10.417 ( 0.071 0.519 -0.404) 0.661 10.563 ( -0.236 2.660 0.063) 2.671 11.043 ( -0.342 2.039 -0.386) 2.103 11.772 ( -0.193 5.712 -0.422) 5.731 13.012 ( -8.676 -86.860 -4.630) 87.415 13.077 ( -0.331 -0.010 4.711) 4.722 13.898 ( 0.156 37.975 -2.772) 38.076 14.001 ( -1.357 18.298 2.224) 18.482 16.181 ( -0.086 -1.624 0.036) 1.627 16.374 ( 0.372 8.991 -0.110) 8.999 16.614 ( -0.012 -8.614 0.046) 8.615 16.821 ( 0.372 -23.129 0.797) 23.146 17.749 ( 2.246 16.452 0.228) 16.606 ======================= Grid point 73 (46/322) ======================= q-point: ( 0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 1.616 -12.304 0.014) 12.410 1.139 ( 0.496 -15.851 -0.115) 15.859 1.359 ( -0.062 -23.386 0.362) 23.389 1.376 ( -0.013 -23.805 0.091) 23.805 1.463 ( -0.277 -3.592 -0.475) 3.633 1.784 ( 0.110 -19.467 -0.086) 19.468 1.846 ( -0.198 -18.147 0.124) 18.148 2.422 ( 0.120 -1.955 -0.647) 2.063 2.483 ( -0.416 -0.550 0.550) 0.882 2.622 ( -0.393 -9.912 -0.050) 9.920 2.943 ( -0.025 0.974 0.433) 1.066 2.969 ( 0.141 -0.811 -1.013) 1.305 3.170 ( -0.049 -25.813 -0.002) 25.813 3.562 ( -1.323 -45.595 0.317) 45.615 4.900 ( -0.006 -3.980 0.251) 3.988 5.055 ( -0.119 2.586 -0.083) 2.590 5.539 ( 0.132 6.585 -0.150) 6.588 5.940 ( -0.002 -12.710 0.110) 12.711 6.170 ( 0.023 -19.643 -0.164) 19.643 6.832 ( -0.031 -2.138 0.143) 2.143 7.710 ( 0.418 -37.173 -0.002) 37.176 9.632 ( -0.370 9.771 -0.128) 9.779 10.177 ( -0.197 -8.527 0.032) 8.529 10.437 ( -0.101 -0.485 -0.180) 0.527 10.522 ( 0.063 0.199 0.148) 0.256 10.975 ( -0.093 4.845 -0.122) 4.848 11.609 ( -0.062 10.051 -0.105) 10.052 12.898 ( 0.058 32.774 0.079) 32.775 13.039 ( -0.017 37.019 0.458) 37.022 13.245 ( 0.029 8.762 -0.327) 8.768 15.015 ( -1.787 -70.163 -0.541) 70.188 15.601 ( -2.084 48.759 0.246) 48.804 16.100 ( -0.044 8.346 -0.024) 8.346 17.032 ( 0.193 -15.590 0.042) 15.591 17.394 ( 0.119 -30.118 0.249) 30.119 17.684 ( 0.688 -10.358 0.063) 10.381 ======================= Grid point 74 (47/322) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -0.000 -18.779 -0.000) 18.779 1.386 ( -0.000 -9.553 -0.000) 9.553 1.532 ( -0.000 -4.102 -0.000) 4.102 1.815 ( -0.000 -20.959 -0.000) 20.959 1.825 ( -0.000 -20.690 -0.000) 20.690 2.152 ( -0.000 -16.711 -0.000) 16.711 2.197 ( -0.000 -16.129 -0.000) 16.129 2.434 ( 0.000 0.275 0.000) 0.275 2.455 ( 0.000 1.849 0.000) 1.849 2.704 ( -0.000 -1.404 -0.000) 1.404 2.902 ( 0.000 2.493 0.000) 2.493 2.925 ( 0.000 3.960 0.000) 3.960 3.780 ( -0.000 -32.333 -0.000) 32.333 4.517 ( -0.000 -39.715 -0.000) 39.715 5.014 ( 0.000 2.101 0.000) 2.101 5.091 ( -0.000 -17.601 -0.000) 17.601 5.503 ( -0.000 -3.665 -0.000) 3.665 6.129 ( -0.000 -5.416 -0.000) 5.416 6.543 ( -0.000 -17.098 -0.000) 17.098 6.911 ( -0.000 -5.703 -0.000) 5.703 8.455 ( -0.000 -36.003 -0.000) 36.003 9.451 ( 0.000 7.248 0.000) 7.248 10.354 ( -0.000 -7.452 -0.000) 7.452 10.357 ( 0.000 7.599 0.000) 7.599 10.595 ( -0.000 -5.207 -0.000) 5.207 10.855 ( 0.000 6.343 0.000) 6.343 11.401 ( 0.000 9.509 0.000) 9.509 12.094 ( 0.000 39.400 0.000) 39.400 12.326 ( 0.000 31.330 0.000) 31.330 13.301 ( -0.000 -7.829 -0.000) 7.829 14.602 ( 0.000 46.950 0.000) 46.950 15.874 ( 0.000 13.454 0.000) 13.454 16.090 ( -0.000 -36.667 -0.000) 36.667 17.166 ( -0.000 -0.588 -0.000) 0.588 17.955 ( -0.000 -25.050 -0.000) 25.050 18.050 ( -0.000 -21.216 -0.000) 21.216 ======================= Grid point 86 (48/322) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 1.420 0.000 0.226) 1.438 0.304 ( 1.310 0.000 -0.769) 1.520 0.594 ( -0.749 -0.000 -0.147) 0.763 0.613 ( 2.404 0.000 -0.003) 2.404 0.953 ( -0.160 -0.000 0.041) 0.165 1.360 ( 0.568 0.000 -0.000) 0.568 1.398 ( -0.348 -0.000 -0.241) 0.423 1.415 ( -0.443 -0.000 -0.008) 0.443 2.252 ( -0.043 -0.000 -0.241) 0.245 2.539 ( -0.170 -0.000 0.308) 0.352 2.694 ( 0.210 0.000 -0.343) 0.402 2.874 ( 0.060 0.000 0.294) 0.300 3.012 ( -0.362 -0.000 -0.214) 0.420 3.160 ( -0.264 -0.000 0.031) 0.266 4.912 ( 0.076 0.000 0.203) 0.217 5.262 ( -0.317 -0.000 -0.113) 0.337 5.533 ( -0.010 -0.000 -0.015) 0.018 5.552 ( -0.013 -0.000 -0.008) 0.015 5.911 ( -0.061 -0.000 0.047) 0.077 6.643 ( 0.009 0.000 0.000) 0.009 6.810 ( -0.063 -0.000 0.162) 0.174 9.947 ( 0.391 0.000 0.535) 0.663 9.998 ( -0.622 -0.000 -0.480) 0.786 10.459 ( 0.249 0.000 -0.280) 0.375 10.628 ( -0.008 -0.000 -0.157) 0.157 11.061 ( -0.209 -0.000 -0.271) 0.342 11.664 ( 0.000 0.000 0.008) 0.008 11.839 ( -0.051 -0.000 -0.220) 0.226 13.076 ( -0.016 -0.000 0.205) 0.205 14.341 ( -0.039 -0.000 0.590) 0.592 14.362 ( 0.021 0.000 -0.590) 0.590 16.090 ( 0.023 0.000 0.116) 0.119 16.142 ( 0.047 0.000 -0.133) 0.141 16.602 ( 0.201 0.000 0.444) 0.487 16.734 ( -0.017 -0.000 -0.008) 0.019 18.023 ( -0.002 -0.000 0.067) 0.067 ======================= Grid point 87 (49/322) ======================= q-point: ( 0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -0.000 -3.078 -0.000) 3.078 0.722 ( -0.000 -25.563 -0.000) 25.563 0.860 ( -0.000 -26.820 -0.000) 26.820 0.896 ( -0.000 -22.616 -0.000) 22.616 1.359 ( -0.000 -22.185 -0.000) 22.185 1.417 ( -0.000 -3.315 -0.000) 3.315 1.512 ( -0.000 -13.739 -0.000) 13.739 1.903 ( -0.000 -47.047 -0.000) 47.047 2.333 ( -0.000 -6.397 -0.000) 6.397 2.532 ( 0.000 0.545 0.000) 0.545 2.772 ( -0.000 -9.318 -0.000) 9.318 2.887 ( -0.000 -2.555 -0.000) 2.555 3.000 ( 0.000 0.920 0.000) 0.920 3.160 ( -0.000 -1.863 -0.000) 1.863 4.884 ( 0.000 1.503 0.000) 1.503 5.145 ( 0.000 6.585 0.000) 6.585 5.673 ( -0.000 -12.136 -0.000) 12.136 5.734 ( 0.000 11.805 0.000) 11.805 5.785 ( -0.000 -17.598 -0.000) 17.598 6.812 ( -0.000 -0.301 -0.000) 0.301 7.015 ( -0.000 -30.437 -0.000) 30.437 9.822 ( 0.000 9.073 0.000) 9.073 10.042 ( -0.000 -4.551 -0.000) 4.551 10.417 ( 0.000 0.625 0.000) 0.625 10.562 ( 0.000 2.624 0.000) 2.624 11.042 ( 0.000 2.012 0.000) 2.012 11.771 ( 0.000 5.693 0.000) 5.693 12.978 ( -0.000 -87.012 -0.000) 87.012 13.077 ( 0.000 0.151 0.000) 0.151 13.898 ( 0.000 37.978 0.000) 37.978 13.997 ( 0.000 19.637 0.000) 19.637 16.181 ( -0.000 -1.626 -0.000) 1.626 16.375 ( 0.000 8.884 0.000) 8.884 16.614 ( -0.000 -8.632 -0.000) 8.632 16.823 ( -0.000 -23.105 -0.000) 23.105 17.757 ( 0.000 16.204 0.000) 16.204 ======================= Grid point 175 (50/322) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.208 ( -2.678 -0.000 16.024) 16.246 0.543 ( -0.724 -0.000 16.801) 16.817 0.723 ( -0.621 -0.000 5.258) 5.295 0.920 ( -3.423 -0.000 42.303) 42.441 1.200 ( -0.728 -0.000 12.620) 12.641 1.307 ( 0.051 0.000 -0.195) 0.202 1.586 ( -1.266 -0.000 12.821) 12.883 1.617 ( -1.624 -0.000 24.347) 24.401 2.365 ( -1.299 -0.000 -11.060) 11.136 2.562 ( 1.395 0.000 -0.627) 1.530 2.719 ( 0.424 0.000 -8.202) 8.213 2.996 ( -0.800 -0.000 -0.715) 1.073 3.109 ( 0.823 0.000 -4.018) 4.101 3.531 ( -2.384 -0.000 21.544) 21.676 4.803 ( 0.374 0.000 -5.338) 5.351 5.161 ( 1.341 0.000 -21.795) 21.836 5.474 ( 0.869 0.000 7.180) 7.233 5.625 ( -0.548 -0.000 -6.627) 6.650 5.837 ( -0.866 -0.000 12.714) 12.743 6.624 ( 0.118 0.000 -1.782) 1.786 7.096 ( -0.345 -0.000 24.954) 24.956 9.751 ( 1.116 0.000 -15.219) 15.260 9.995 ( -0.401 -0.000 -14.691) 14.696 10.358 ( -0.322 -0.000 -7.206) 7.213 10.637 ( -0.316 -0.000 0.121) 0.339 11.358 ( -0.684 -0.000 -16.610) 16.624 11.717 ( -0.306 -0.000 5.331) 5.340 12.230 ( -2.408 -0.000 25.533) 25.647 13.776 ( 1.870 0.000 -28.494) 28.556 14.913 ( -1.769 -0.000 26.948) 27.006 15.620 ( -10.428 -0.000 -18.938) 21.619 16.105 ( 1.931 0.000 1.912) 2.717 16.342 ( -36.058 -0.000 7.293) 36.789 16.560 ( 6.542 0.000 0.141) 6.544 16.685 ( 0.291 0.000 -5.120) 5.128 16.842 ( 32.712 0.000 -0.270) 32.713 ======================= Grid point 176 (51/322) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 2.132 -8.994 12.392) 15.460 0.773 ( -0.649 -19.497 13.078) 23.486 0.930 ( -0.601 -18.155 2.875) 18.391 1.088 ( -1.826 -17.320 17.762) 24.876 1.436 ( -0.580 -12.355 -0.144) 12.370 1.476 ( 0.346 -18.745 3.353) 19.046 1.601 ( -1.364 -2.187 12.713) 12.972 1.906 ( -0.557 -23.295 3.014) 23.495 2.363 ( -1.690 -0.848 -11.092) 11.252 2.571 ( 1.566 -0.426 -0.707) 1.770 2.715 ( -0.544 -0.991 -1.649) 1.999 2.983 ( -0.992 1.016 -1.241) 1.885 3.084 ( 0.724 1.734 -1.875) 2.655 3.717 ( -5.893 -21.860 34.541) 41.300 4.783 ( 0.600 1.011 -5.147) 5.280 5.065 ( 0.875 6.168 -15.639) 16.834 5.497 ( 1.556 5.807 -12.228) 13.626 5.680 ( -1.192 -12.336 8.503) 15.029 6.004 ( -0.920 -15.082 12.877) 19.853 6.933 ( 0.905 -26.543 -2.697) 26.695 7.094 ( -0.084 -0.201 24.557) 24.558 9.735 ( 0.032 2.332 -12.052) 12.275 9.957 ( -0.672 0.482 -14.262) 14.286 10.327 ( 0.471 1.318 -7.659) 7.786 10.607 ( -0.213 2.698 1.424) 3.058 11.029 ( -0.479 10.943 -4.273) 11.758 11.849 ( -0.948 1.354 -0.193) 1.664 12.537 ( -0.005 -15.799 -9.306) 18.336 13.375 ( 1.948 33.863 -23.631) 41.339 14.393 ( -1.799 39.565 24.130) 46.378 15.503 ( -18.551 9.519 -12.729) 24.429 16.166 ( -1.927 7.715 -2.878) 8.457 16.329 ( -7.122 -5.758 20.935) 22.851 16.626 ( -0.613 -16.065 1.414) 16.139 16.805 ( 2.009 -23.750 1.278) 23.869 17.205 ( 12.212 -16.026 0.056) 20.149 ======================= Grid point 177 (52/322) ======================= q-point: ( 0.15 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 2.859 -17.529 6.749) 18.999 1.157 ( 0.060 -15.742 6.887) 17.183 1.331 ( -0.311 -19.360 -0.518) 19.370 1.468 ( -0.879 -19.630 8.067) 21.241 1.643 ( -0.773 -6.544 10.336) 12.258 1.765 ( -0.381 -16.194 -0.017) 16.198 1.855 ( 0.500 -17.902 -1.304) 17.956 2.297 ( -1.231 -5.072 -8.951) 10.361 2.464 ( 0.766 -9.058 -6.456) 11.149 2.672 ( 0.319 -16.802 -4.767) 17.469 2.747 ( -0.157 -2.916 -3.225) 4.351 2.946 ( -0.973 2.120 -1.843) 2.973 3.070 ( 0.730 -2.139 -3.986) 4.582 4.322 ( -5.388 -35.038 33.823) 48.997 4.803 ( 0.986 -3.539 -6.000) 7.035 4.985 ( 0.204 0.404 -9.736) 9.746 5.389 ( 0.210 3.203 -10.726) 11.196 5.963 ( -0.748 -14.149 7.303) 15.940 6.366 ( -0.972 -19.330 14.423) 24.137 7.063 ( 0.076 0.969 19.693) 19.717 7.633 ( 0.662 -38.177 -0.831) 38.191 9.619 ( -0.795 8.141 -6.152) 10.235 10.016 ( 0.091 -5.967 -15.455) 16.567 10.342 ( 1.071 -2.741 -10.259) 10.673 10.541 ( 0.066 3.260 1.777) 3.713 10.891 ( 0.442 4.540 -8.464) 9.615 11.740 ( -1.097 8.377 7.855) 11.536 12.591 ( 2.220 31.725 -22.607) 39.019 12.725 ( 0.593 5.775 -14.390) 15.517 13.573 ( -1.080 38.494 21.590) 44.149 15.017 ( 3.291 33.943 -13.703) 36.752 15.942 ( 0.429 12.285 -14.071) 18.684 16.514 ( -15.782 -17.075 28.192) 36.544 17.039 ( 1.215 -16.761 5.556) 17.700 17.383 ( 0.956 -29.885 0.351) 29.902 17.592 ( 2.487 -20.809 2.642) 21.123 ======================= Grid point 178 (53/322) ======================= q-point: ( 0.23 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 2.142 -20.606 3.223) 20.966 1.395 ( 0.408 -8.611 4.574) 9.759 1.591 ( -0.688 -7.007 2.588) 7.501 1.860 ( -0.528 -19.119 3.672) 19.475 1.884 ( 0.111 -16.968 6.338) 18.113 2.087 ( 0.292 -14.392 -3.844) 14.899 2.187 ( 0.533 -14.174 -3.780) 14.679 2.325 ( -1.052 -1.794 -6.254) 6.591 2.517 ( 0.995 -0.683 0.695) 1.393 2.753 ( -0.832 -0.504 1.312) 1.633 2.887 ( -0.141 2.568 -2.005) 3.261 2.911 ( -0.196 1.229 -1.414) 1.884 3.497 ( 0.923 -36.442 -16.679) 40.088 4.795 ( -0.479 -9.297 -2.871) 9.742 4.918 ( 0.748 -6.551 -2.797) 7.163 5.180 ( -1.214 -18.258 3.979) 18.726 5.442 ( -2.356 -13.136 0.255) 13.348 6.197 ( -0.546 -8.228 9.619) 12.670 6.724 ( -0.985 -15.404 15.675) 21.999 7.077 ( -0.287 -2.781 14.764) 15.026 8.412 ( 0.243 -37.824 -0.689) 37.831 9.457 ( -0.417 6.235 -0.941) 6.319 10.106 ( 0.427 -0.466 -12.949) 12.964 10.419 ( 0.979 -4.959 -10.866) 11.984 10.515 ( 0.154 -0.390 0.176) 0.455 10.830 ( 0.831 1.039 -5.102) 5.273 11.526 ( -0.966 12.107 10.966) 16.364 11.898 ( 1.133 31.092 -12.458) 33.514 12.470 ( 0.236 26.778 4.983) 27.239 13.113 ( 0.630 3.145 -7.750) 8.388 14.278 ( 4.831 38.835 -11.020) 40.656 15.656 ( 1.154 16.306 -19.653) 25.563 16.813 ( -10.365 -15.297 25.465) 31.463 17.252 ( 0.366 -5.025 10.438) 11.590 17.943 ( 0.466 -24.890 -0.602) 24.902 18.038 ( 0.775 -21.424 1.365) 21.481 ======================= Grid point 179 (54/322) ======================= q-point: ( 0.31 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 1.040 -17.903 -1.137) 17.970 1.539 ( 0.573 -5.928 1.553) 6.154 1.712 ( -0.286 -6.865 5.798) 8.991 2.207 ( -0.038 -13.974 0.647) 13.989 2.217 ( -0.199 -14.404 2.090) 14.557 2.274 ( 0.970 -3.585 -5.608) 6.727 2.313 ( -0.373 -3.242 -6.503) 7.276 2.497 ( 0.780 -11.595 0.429) 11.629 2.574 ( 0.076 -5.630 2.742) 6.263 2.754 ( -0.680 0.078 0.636) 0.934 2.817 ( 0.037 4.447 -0.615) 4.489 2.858 ( -0.814 2.586 -0.754) 2.814 4.217 ( 1.030 -33.268 -12.645) 35.605 4.887 ( 0.637 -3.236 -7.114) 7.841 5.110 ( -0.106 -11.794 1.381) 11.875 5.452 ( 0.884 -12.974 -13.223) 18.546 5.829 ( -3.186 -18.053 7.717) 19.890 6.266 ( -0.586 1.405 12.997) 13.086 6.979 ( -1.089 -10.687 13.428) 17.196 7.183 ( -0.346 -6.524 11.723) 13.420 9.103 ( -0.187 -30.038 0.082) 30.038 9.408 ( -0.197 -1.947 3.063) 3.635 10.022 ( 0.350 6.307 -6.960) 9.399 10.444 ( 0.486 7.136 -6.181) 9.454 10.530 ( 0.149 -0.844 0.566) 1.027 10.848 ( 0.228 0.242 2.241) 2.266 11.289 ( -0.382 10.169 4.537) 11.142 11.428 ( 0.180 13.709 -2.252) 13.893 11.952 ( 0.254 18.680 8.765) 20.636 13.206 ( 2.135 -4.855 -21.286) 21.937 13.574 ( 3.449 28.076 -9.883) 29.964 15.291 ( 1.524 19.913 -23.734) 31.019 17.021 ( -6.235 -7.882 23.356) 25.426 17.289 ( -0.476 0.907 15.229) 15.264 18.369 ( 0.177 -17.322 -1.399) 17.379 18.418 ( 0.643 -15.745 -0.390) 15.763 ======================= Grid point 180 (55/322) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.138 -6.062 -2.652) 6.618 1.648 ( 0.397 -5.045 -2.961) 5.863 1.924 ( 0.316 -13.708 5.285) 14.695 2.250 ( 0.368 1.292 -5.683) 5.840 2.321 ( 0.261 0.417 -3.612) 3.645 2.473 ( 0.352 -9.132 1.425) 9.249 2.481 ( -0.073 -9.770 1.305) 9.857 2.684 ( 1.129 -3.080 1.707) 3.698 2.698 ( 0.940 -0.517 0.746) 1.307 2.715 ( -0.911 -2.408 -1.055) 2.782 2.753 ( -1.137 -0.156 0.784) 1.390 2.824 ( -0.947 0.163 -0.232) 0.988 4.781 ( 1.032 -21.363 -9.518) 23.410 4.981 ( 0.043 -6.637 -3.072) 7.314 5.355 ( -0.364 -12.100 6.142) 13.575 5.737 ( 1.641 -14.242 -14.032) 20.060 6.041 ( -1.931 -3.604 2.020) 4.561 6.174 ( -0.511 5.839 6.956) 9.096 7.163 ( -1.090 -7.596 11.191) 13.569 7.294 ( -0.343 -3.762 11.103) 11.728 9.511 ( -0.271 -7.394 4.179) 8.498 9.582 ( -0.321 -16.621 1.469) 16.689 9.938 ( -0.222 0.633 1.733) 1.859 10.259 ( 0.518 9.009 -2.179) 9.283 10.376 ( -0.760 14.080 9.565) 17.038 10.683 ( -0.626 15.747 11.042) 19.243 11.223 ( 0.017 -2.688 -2.061) 3.387 11.325 ( 0.307 -1.389 -0.675) 1.575 11.841 ( 0.047 -5.571 -2.154) 5.973 12.856 ( 3.609 26.980 -7.708) 28.291 13.602 ( 1.702 -16.536 -25.405) 30.360 14.867 ( 1.753 22.037 -26.949) 34.856 17.105 ( -4.232 -2.674 22.725) 23.270 17.243 ( -0.761 3.309 19.111) 19.411 18.640 ( 0.071 -9.841 -2.182) 10.080 18.668 ( 0.556 -9.018 -1.594) 9.174 ======================= Grid point 181 (56/322) ======================= q-point: ( 0.46 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.495 -1.955 -2.925) 3.553 1.716 ( -0.037 -1.558 -4.004) 4.296 2.167 ( -0.209 -7.202 -2.076) 7.498 2.232 ( 0.885 -0.400 -3.817) 3.939 2.335 ( 0.312 -3.795 0.643) 3.862 2.494 ( -0.324 8.589 2.287) 8.894 2.611 ( -0.107 -3.088 0.924) 3.225 2.638 ( -0.051 -1.733 1.315) 2.176 2.744 ( -0.162 -0.690 -0.328) 0.780 2.754 ( 0.288 -0.283 -0.294) 0.499 2.812 ( 0.152 -2.938 0.539) 2.991 2.842 ( -0.641 -1.205 0.374) 1.415 5.051 ( 0.418 -7.733 -4.699) 9.059 5.108 ( 0.283 -2.301 -5.598) 6.059 5.606 ( -0.669 -13.377 13.213) 18.814 5.857 ( -0.696 9.721 10.814) 14.558 6.041 ( 1.738 -6.333 -12.078) 13.748 6.135 ( -0.559 0.785 -12.942) 12.978 7.274 ( -0.859 -3.602 9.858) 10.530 7.330 ( -0.477 0.145 10.753) 10.764 9.657 ( -0.531 -7.117 5.939) 9.285 9.753 ( -0.194 -0.332 3.737) 3.757 9.990 ( -0.717 -4.460 9.122) 10.179 10.116 ( -0.816 9.299 12.033) 15.230 10.173 ( 0.481 -1.621 1.568) 2.306 10.353 ( -0.830 14.108 8.046) 16.263 11.312 ( -0.136 -4.781 -2.453) 5.376 11.366 ( 0.523 -0.285 -2.440) 2.512 12.049 ( -1.069 -13.690 -5.344) 14.735 12.389 ( 2.833 20.289 -6.008) 21.348 13.985 ( 1.859 -20.798 -28.168) 35.063 14.419 ( 1.823 22.296 -28.610) 36.317 17.133 ( -3.037 -1.586 22.528) 22.787 17.180 ( -0.571 2.871 21.649) 21.846 18.770 ( 0.048 -3.270 -2.703) 4.242 18.786 ( 0.383 -2.667 -2.221) 3.491 ======================= Grid point 182 (57/322) ======================= q-point: (-0.46 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.056 1.938 -3.202) 3.744 1.715 ( 0.365 1.505 -3.707) 4.018 2.201 ( 1.024 3.030 -3.970) 5.098 2.253 ( -2.091 1.892 -2.808) 3.980 2.284 ( 0.695 5.996 2.286) 6.454 2.483 ( 0.187 -7.459 1.294) 7.573 2.612 ( 0.250 2.636 1.042) 2.846 2.630 ( -0.306 2.955 0.845) 3.089 2.745 ( -0.702 1.134 -0.510) 1.428 2.753 ( 0.728 0.145 -0.212) 0.772 2.817 ( -0.209 2.477 0.676) 2.576 2.848 ( 0.401 0.455 0.723) 0.943 5.036 ( 0.209 7.792 -5.064) 9.296 5.124 ( 0.481 2.275 -5.678) 6.136 5.594 ( -0.960 13.491 13.508) 19.116 5.852 ( -0.592 -7.727 9.779) 12.477 6.040 ( -0.077 4.544 -10.054) 11.033 6.149 ( 1.865 -0.918 -14.133) 14.285 7.294 ( -0.699 3.448 11.314) 11.849 7.312 ( -0.600 -0.266 9.653) 9.675 9.659 ( -0.232 6.953 5.854) 9.093 9.758 ( -0.331 -0.071 4.069) 4.083 9.992 ( -0.475 4.509 9.266) 10.316 10.113 ( -0.718 -9.408 12.133) 15.370 10.186 ( -0.730 1.668 1.010) 2.082 10.340 ( -0.154 -14.102 8.411) 16.420 11.314 ( 0.437 4.945 -2.542) 5.577 11.363 ( -0.188 0.221 -2.362) 2.379 12.045 ( 1.815 14.608 -5.466) 15.702 12.376 ( -1.958 -19.616 -6.566) 20.778 13.985 ( 1.747 20.761 -28.105) 34.985 14.421 ( 1.827 -22.403 -28.663) 36.425 17.140 ( 0.152 1.568 22.687) 22.741 17.173 ( -2.199 -2.869 21.551) 21.852 18.773 ( 0.078 2.884 -2.701) 3.952 18.779 ( 0.149 3.363 -2.358) 4.110 ======================= Grid point 183 (58/322) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.640 6.367 -4.259) 7.686 1.652 ( -0.507 4.540 -1.384) 4.773 1.942 ( -1.550 14.999 6.345) 16.360 2.261 ( 0.122 -1.773 -4.527) 4.864 2.296 ( 0.756 -1.256 -5.297) 5.496 2.461 ( -0.157 9.070 1.069) 9.134 2.488 ( -0.261 9.935 1.561) 10.061 2.646 ( 0.891 -0.164 -0.716) 1.154 2.673 ( -0.706 4.935 0.074) 4.986 2.728 ( 0.164 1.835 -0.608) 1.941 2.773 ( 0.406 0.155 1.796) 1.847 2.841 ( 0.306 -0.377 0.541) 0.727 4.774 ( 0.400 20.733 -10.061) 23.049 4.984 ( 0.289 7.461 -3.101) 8.085 5.350 ( -0.329 11.850 6.649) 13.592 5.726 ( 0.413 13.626 -12.434) 18.451 6.061 ( 1.027 3.340 1.460) 3.787 6.168 ( -0.101 -4.838 5.274) 7.157 7.186 ( -0.909 7.446 12.780) 14.819 7.283 ( -0.802 3.267 10.483) 11.009 9.513 ( -0.295 7.688 4.059) 8.698 9.593 ( -0.151 16.132 2.238) 16.287 9.942 ( -0.097 -0.705 1.643) 1.791 10.268 ( -0.513 -8.743 -1.564) 8.896 10.373 ( -0.322 -14.039 8.669) 16.503 10.669 ( -0.496 -15.511 11.069) 19.062 11.219 ( 0.322 3.029 -2.185) 3.749 11.328 ( -0.302 0.782 -0.414) 0.935 11.821 ( 0.742 6.262 -2.848) 6.919 12.836 ( -2.119 -26.855 -8.517) 28.253 13.602 ( 1.531 16.505 -25.348) 30.287 14.871 ( 1.618 -22.136 -26.959) 34.920 17.112 ( 1.144 2.627 22.926) 23.104 17.237 ( -1.525 -3.328 19.069) 19.418 18.642 ( 0.186 10.207 -2.143) 10.431 18.657 ( -0.096 8.999 -2.032) 9.226 ======================= Grid point 184 (59/322) ======================= q-point: (-0.31 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -0.676 18.224 -1.918) 18.337 1.543 ( -1.134 5.938 2.230) 6.443 1.714 ( -0.519 7.055 6.195) 9.403 2.202 ( 0.093 14.884 1.228) 14.935 2.227 ( -0.533 14.965 2.692) 15.214 2.269 ( 0.223 2.930 -6.454) 7.092 2.326 ( 0.492 0.048 -7.034) 7.052 2.458 ( 0.771 12.459 -0.038) 12.483 2.572 ( -0.113 6.187 2.160) 6.554 2.757 ( 0.102 -0.718 0.140) 0.738 2.815 ( 0.746 -4.017 0.075) 4.086 2.870 ( 0.044 -2.158 -0.458) 2.207 4.221 ( 0.481 32.765 -13.040) 35.268 4.885 ( 0.354 3.096 -6.875) 7.548 5.100 ( 0.322 12.389 1.356) 12.467 5.448 ( 0.943 13.162 -11.550) 17.537 5.853 ( 1.140 17.299 6.538) 18.528 6.253 ( -0.470 -1.245 12.425) 12.496 6.998 ( -1.455 10.962 14.308) 18.083 7.182 ( -1.152 6.163 11.831) 13.390 9.113 ( -0.258 30.051 0.531) 30.057 9.411 ( -0.326 1.922 3.238) 3.780 10.027 ( 0.352 -6.394 -6.971) 9.466 10.445 ( 0.302 -6.421 -6.723) 9.302 10.527 ( -0.132 0.502 0.638) 0.823 10.833 ( 0.124 -0.332 1.843) 1.877 11.287 ( -0.147 -10.642 4.878) 11.708 11.430 ( 0.076 -12.787 -2.847) 13.100 11.933 ( -0.565 -19.177 8.606) 21.027 13.197 ( 0.907 4.050 -21.112) 21.516 13.568 ( -1.850 -27.533 -10.568) 29.550 15.295 ( 1.323 -19.980 -23.691) 31.019 17.029 ( 2.888 7.689 23.608) 24.996 17.284 ( -1.253 -0.931 15.225) 15.305 18.362 ( 0.306 17.818 -1.647) 17.896 18.410 ( -0.223 15.663 -0.780) 15.684 ======================= Grid point 185 (60/322) ======================= q-point: (-0.23 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -2.065 20.737 2.682) 21.011 1.398 ( -1.295 8.586 4.828) 9.935 1.592 ( 0.284 6.997 2.969) 7.606 1.854 ( 0.214 19.082 3.586) 19.417 1.891 ( -1.186 16.838 6.291) 18.014 2.099 ( -0.818 14.010 -4.015) 14.597 2.165 ( 1.645 14.875 -3.006) 15.264 2.346 ( 0.527 0.173 -7.277) 7.298 2.497 ( 0.284 1.467 0.737) 1.666 2.759 ( 0.167 0.407 1.386) 1.454 2.887 ( 0.656 -1.839 -1.885) 2.714 2.918 ( -0.311 -2.506 -1.101) 2.755 3.506 ( 0.589 36.450 -17.007) 40.226 4.797 ( 0.771 9.460 -2.462) 9.805 4.903 ( 0.594 6.304 -3.067) 7.036 5.164 ( 1.696 18.300 3.954) 18.799 5.478 ( -0.081 13.345 0.994) 13.382 6.189 ( -0.147 7.850 9.684) 12.467 6.734 ( -1.667 15.682 15.555) 22.151 7.075 ( -1.532 3.185 14.904) 15.317 8.417 ( -0.507 38.097 -0.445) 38.103 9.463 ( 0.104 -6.578 -0.709) 6.617 10.112 ( 0.770 0.270 -12.601) 12.627 10.416 ( 0.725 4.912 -11.970) 12.959 10.510 ( 0.120 0.780 0.696) 1.052 10.825 ( 0.170 -1.591 -5.595) 5.820 11.532 ( -0.849 -12.530 11.572) 17.077 11.887 ( 1.221 -30.614 -12.970) 33.271 12.462 ( -0.333 -27.111 4.765) 27.529 13.109 ( 0.563 -3.236 -7.620) 8.298 14.275 ( -3.181 -39.141 -11.374) 40.884 15.661 ( 1.006 -16.422 -19.584) 25.578 16.826 ( 6.302 14.881 25.910) 30.536 17.248 ( -1.477 5.033 10.448) 11.691 17.929 ( 0.637 25.378 -1.093) 25.409 18.032 ( -0.525 21.464 1.022) 21.494 ======================= Grid point 186 (61/322) ======================= q-point: (-0.15 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( -3.369 17.222 6.444) 18.695 1.160 ( -1.283 15.708 6.736) 17.139 1.333 ( 0.150 19.245 -0.071) 19.246 1.466 ( 0.028 19.387 8.390) 21.124 1.649 ( -1.158 6.735 9.800) 11.948 1.773 ( -0.592 16.166 0.952) 16.205 1.845 ( 0.847 17.405 -2.102) 17.552 2.319 ( -0.140 5.705 -8.383) 10.141 2.451 ( 1.558 6.788 -6.164) 9.300 2.684 ( -1.071 17.790 -4.952) 18.498 2.750 ( 0.175 2.953 -3.522) 4.600 2.964 ( -0.908 -2.154 -1.502) 2.779 3.055 ( 1.631 2.581 -4.490) 5.430 4.323 ( 0.893 34.948 34.316) 48.988 4.794 ( 0.911 3.461 -6.139) 7.105 4.982 ( 1.293 -0.642 -9.699) 9.806 5.402 ( -0.258 -2.666 -10.324) 10.666 5.963 ( -0.154 13.949 7.481) 15.829 6.370 ( -1.314 19.453 14.318) 24.190 7.055 ( -1.637 -0.628 19.447) 19.526 7.632 ( -0.434 38.428 -0.886) 38.441 9.628 ( 0.422 -8.350 -5.760) 10.153 10.022 ( 1.204 5.927 -15.003) 16.176 10.339 ( 0.505 2.571 -10.540) 10.861 10.539 ( -0.002 -3.423 1.731) 3.836 10.894 ( 0.284 -4.809 -8.686) 9.932 11.750 ( -1.189 -8.707 8.432) 12.179 12.573 ( 2.712 -30.719 -22.863) 38.389 12.728 ( 0.823 -6.794 -14.269) 15.825 13.573 ( -1.616 -38.670 21.336) 44.195 15.028 ( -2.703 -35.575 -14.347) 38.454 15.948 ( 0.588 -12.438 -14.160) 18.856 16.527 ( 10.914 17.294 29.382) 35.798 17.038 ( -1.812 16.450 5.661) 17.491 17.367 ( 0.969 30.150 -0.266) 30.166 17.581 ( -1.711 21.731 2.297) 21.919 ======================= Grid point 187 (62/322) ======================= q-point: (-0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.296 ( -4.885 8.509 12.260) 15.702 0.775 ( -1.393 19.597 12.592) 23.335 0.933 ( -0.365 18.063 3.019) 18.317 1.091 ( -1.222 17.095 18.167) 24.975 1.439 ( 0.059 12.019 -0.552) 12.032 1.472 ( 0.241 18.914 3.992) 19.332 1.608 ( -1.918 2.275 12.340) 12.694 1.909 ( -0.523 23.558 2.802) 23.730 2.376 ( -0.174 0.633 -11.115) 11.134 2.563 ( 0.360 0.699 -0.607) 0.993 2.716 ( 0.361 1.020 -1.579) 1.914 2.991 ( -0.968 -0.924 -0.938) 1.634 3.076 ( 1.346 -1.880 -2.035) 3.081 3.720 ( 0.747 21.646 34.888) 41.065 4.780 ( 0.728 -1.166 -5.036) 5.220 5.064 ( 1.303 -6.192 -15.558) 16.795 5.497 ( 0.009 -5.150 -12.236) 13.275 5.683 ( -0.542 11.929 8.453) 14.630 6.005 ( -0.963 15.122 12.864) 19.877 6.932 ( -0.307 26.612 -2.706) 26.751 7.086 ( -0.959 0.258 24.277) 24.298 9.738 ( 0.740 -2.014 -11.832) 12.025 9.964 ( 0.840 -0.816 -13.903) 13.952 10.329 ( -0.046 -1.560 -7.506) 7.666 10.608 ( -0.158 -2.817 1.422) 3.159 11.034 ( 0.002 -11.104 -4.327) 11.918 11.857 ( -0.919 -1.350 -0.093) 1.635 12.537 ( 1.261 15.524 -9.295) 18.138 13.371 ( 2.091 -33.954 -23.431) 41.307 14.396 ( -1.879 -39.691 23.753) 46.294 15.564 ( 5.932 -14.039 -18.107) 23.667 16.160 ( 3.948 -6.132 -0.023) 7.293 16.340 ( 2.388 1.341 22.655) 22.820 16.628 ( 0.200 18.160 1.956) 18.266 16.793 ( 1.043 24.233 0.602) 24.263 17.166 ( -4.078 19.543 0.337) 19.967 ======================= Grid point 189 (63/322) ======================= q-point: ( 0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.235 ( 6.838 0.000 13.531) 15.161 0.549 ( 0.075 0.000 16.612) 16.612 0.719 ( -1.106 -0.000 5.334) 5.448 0.916 ( -2.979 -0.000 42.182) 42.287 1.197 ( -1.671 -0.000 12.343) 12.456 1.311 ( 0.971 0.000 0.032) 0.971 1.585 ( -0.832 -0.000 12.940) 12.967 1.615 ( -1.782 -0.000 24.405) 24.470 2.344 ( -2.499 -0.000 -10.899) 11.182 2.575 ( 1.994 0.000 -0.436) 2.041 2.709 ( -2.018 -0.000 -7.779) 8.036 2.988 ( -0.963 -0.000 -1.016) 1.400 3.109 ( -0.281 -0.000 -3.145) 3.158 3.483 ( -11.684 -0.000 24.430) 27.080 4.802 ( 0.145 0.000 -5.546) 5.548 5.161 ( 1.341 0.000 -21.808) 21.849 5.482 ( -0.279 -0.000 9.227) 9.232 5.628 ( 2.435 0.000 -9.824) 10.121 5.837 ( -0.886 -0.000 12.699) 12.730 6.624 ( 0.137 0.000 -1.779) 1.784 7.113 ( 1.162 0.000 25.317) 25.343 9.750 ( 0.592 0.000 -15.579) 15.590 9.974 ( -2.857 -0.000 -14.518) 14.796 10.355 ( 0.520 0.000 -7.264) 7.282 10.635 ( -0.379 -0.000 0.285) 0.474 11.331 ( -3.792 -0.000 -14.493) 14.981 11.718 ( -0.313 -0.000 5.341) 5.350 12.218 ( -3.954 -0.000 26.435) 26.729 13.777 ( 1.833 0.000 -28.506) 28.565 14.912 ( -1.765 -0.000 26.961) 27.019 15.274 ( -69.092 -0.000 27.805) 74.477 16.101 ( -12.365 -0.000 5.326) 13.463 16.121 ( -2.350 -0.000 1.648) 2.870 16.588 ( 2.007 0.000 0.826) 2.170 16.685 ( 0.267 0.000 -5.130) 5.137 17.167 ( 37.914 0.000 -25.414) 45.643 ======================= Grid point 190 (64/322) ======================= q-point: ( 0.15 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( 7.554 -7.867 9.927) 14.748 0.778 ( 0.168 -19.330 13.261) 23.442 0.926 ( -0.845 -18.339 2.698) 18.556 1.080 ( -2.167 -17.419 17.536) 24.812 1.430 ( -0.976 -13.747 0.774) 13.803 1.480 ( 0.239 -16.832 1.985) 16.950 1.599 ( -0.718 -2.615 13.496) 13.766 1.904 ( -0.542 -23.117 3.829) 23.438 2.341 ( -2.308 -1.086 -11.170) 11.458 2.585 ( 2.056 -0.283 -0.285) 2.095 2.706 ( -1.382 -1.510 -1.569) 2.579 2.974 ( -0.884 1.049 -1.438) 1.987 3.086 ( 0.114 1.472 -1.580) 2.163 3.668 ( -10.593 -23.436 35.210) 43.603 4.785 ( 0.567 0.800 -5.409) 5.497 5.062 ( 0.425 6.253 -15.687) 16.892 5.508 ( 2.640 6.932 -12.704) 14.711 5.673 ( -1.627 -12.789 8.208) 15.283 6.004 ( -0.857 -15.094 12.911) 19.881 6.942 ( 1.614 -27.280 -3.021) 27.494 7.108 ( 0.337 0.698 25.329) 25.341 9.727 ( -0.483 2.696 -12.090) 12.397 9.941 ( -1.588 -0.303 -14.404) 14.495 10.329 ( 0.916 1.211 -7.542) 7.693 10.606 ( -0.258 2.562 1.633) 3.049 11.022 ( -0.748 10.392 -4.259) 11.256 11.842 ( -0.781 1.256 -0.166) 1.488 12.528 ( -1.162 -16.630 -8.184) 18.571 13.377 ( 1.691 33.733 -23.689) 41.254 14.392 ( -1.757 39.121 24.766) 46.334 15.284 ( -34.819 -11.973 16.709) 40.434 16.135 ( -4.996 0.498 -1.921) 5.376 16.286 ( -4.219 5.717 4.560) 8.443 16.623 ( -0.358 -16.467 1.053) 16.504 16.821 ( 1.615 -22.963 1.493) 23.068 17.316 ( 14.356 -7.867 -5.882) 17.395 ======================= Grid point 191 (65/322) ======================= q-point: ( 0.23 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 5.009 -16.421 5.744) 18.104 1.164 ( 0.702 -15.714 6.846) 17.155 1.328 ( -0.535 -19.270 -0.785) 19.294 1.463 ( -1.251 -19.784 7.912) 21.344 1.644 ( -0.492 -6.798 10.718) 12.701 1.763 ( -0.149 -16.534 -0.528) 16.543 1.857 ( 0.174 -17.788 -0.699) 17.802 2.283 ( -1.187 -4.519 -9.546) 10.628 2.465 ( 0.201 -11.094 -6.252) 12.736 2.675 ( 0.924 -14.743 -3.065) 15.087 2.744 ( -0.119 -3.783 -4.331) 5.752 2.938 ( -0.737 2.118 -1.938) 2.964 3.072 ( 0.197 -2.024 -3.779) 4.291 4.287 ( -7.545 -36.374 34.416) 50.641 4.808 ( 0.875 -3.580 -6.022) 7.060 4.980 ( -0.330 0.462 -10.333) 10.348 5.387 ( 0.661 3.830 -11.028) 11.693 5.960 ( -0.936 -14.338 6.909) 15.943 6.367 ( -0.766 -19.352 14.541) 24.218 7.075 ( 0.377 1.388 20.670) 20.720 7.639 ( 1.073 -38.026 -1.372) 38.066 9.608 ( -1.019 7.860 -6.008) 9.946 10.008 ( -0.140 -6.275 -15.477) 16.701 10.346 ( 1.162 -2.695 -10.039) 10.460 10.543 ( 0.031 3.162 1.839) 3.658 10.890 ( 0.539 4.273 -8.221) 9.281 11.736 ( -0.869 8.273 7.818) 11.415 12.595 ( 1.689 31.600 -22.691) 38.940 12.722 ( 0.556 5.593 -14.309) 15.373 13.577 ( -0.904 38.489 21.772) 44.230 15.048 ( 6.330 31.238 -11.935) 34.034 15.938 ( 0.345 12.064 -13.698) 18.256 16.370 ( -23.422 -20.592 29.069) 42.633 17.052 ( 1.206 -16.914 4.949) 17.665 17.390 ( 0.580 -29.682 0.253) 29.689 17.616 ( 3.105 -18.782 2.113) 19.154 ======================= Grid point 192 (66/322) ======================= q-point: ( 0.31 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 2.888 -19.832 2.536) 20.201 1.402 ( 0.833 -8.507 4.536) 9.677 1.586 ( -0.892 -7.246 2.591) 7.746 1.857 ( -0.669 -19.276 3.646) 19.629 1.890 ( 0.409 -16.816 6.484) 18.027 2.089 ( 0.600 -14.542 -3.797) 15.042 2.188 ( 0.072 -13.850 -4.238) 14.484 2.314 ( -0.968 -2.451 -6.221) 6.756 2.525 ( 0.725 -0.544 1.183) 1.490 2.746 ( -1.075 -0.550 1.378) 1.832 2.885 ( -0.016 2.668 -1.849) 3.246 2.909 ( -0.213 1.224 -1.635) 2.054 3.497 ( 1.153 -36.546 -16.552) 40.136 4.789 ( -0.773 -10.329 -2.104) 10.569 4.921 ( 0.559 -6.448 -2.885) 7.086 5.168 ( -2.330 -19.205 4.744) 19.919 5.425 ( -1.867 -11.897 -1.369) 12.121 6.197 ( -0.737 -8.393 9.278) 12.532 6.725 ( -0.680 -15.341 15.881) 22.091 7.083 ( -0.125 -2.492 15.264) 15.466 8.414 ( 0.527 -37.548 -1.012) 37.565 9.453 ( -0.394 5.915 -0.819) 5.984 10.103 ( 0.470 -0.694 -12.945) 12.972 10.422 ( 0.952 -4.914 -10.690) 11.803 10.516 ( 0.068 -0.298 0.148) 0.340 10.834 ( 0.838 0.960 -4.785) 4.952 11.524 ( -0.905 12.076 10.931) 16.313 11.900 ( 0.934 31.123 -12.491) 33.550 12.474 ( 0.226 26.529 4.825) 26.966 13.113 ( 0.548 3.203 -7.685) 8.344 14.318 ( 6.582 39.794 -11.414) 41.919 15.656 ( 1.295 16.258 -19.581) 25.484 16.732 ( -13.298 -18.693 26.619) 35.141 17.260 ( 0.343 -4.703 10.080) 11.128 17.946 ( 0.181 -24.803 -0.759) 24.815 18.045 ( 0.893 -21.149 1.366) 21.212 ======================= Grid point 193 (67/322) ======================= q-point: ( 0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 1.214 -17.140 -1.792) 17.276 1.545 ( 0.766 -5.803 1.520) 6.048 1.713 ( -0.178 -7.266 6.012) 9.432 2.206 ( -0.287 -14.033 0.353) 14.040 2.218 ( 0.182 -13.748 1.983) 13.891 2.279 ( 0.940 -3.230 -5.732) 6.646 2.307 ( -0.260 -4.450 -6.056) 7.519 2.500 ( 0.003 -11.829 0.048) 11.829 2.577 ( 0.264 -5.430 3.301) 6.360 2.748 ( -0.992 -0.059 0.838) 1.300 2.819 ( 0.471 4.602 -0.518) 4.655 2.851 ( -1.029 2.639 -0.941) 2.985 4.220 ( 1.145 -33.321 -12.585) 35.637 4.889 ( 0.651 -3.235 -7.218) 7.936 5.109 ( -0.302 -11.723 1.320) 11.801 5.452 ( 0.818 -13.336 -13.316) 18.863 5.807 ( -3.259 -18.417 8.085) 20.376 6.268 ( -0.810 1.356 12.839) 12.936 6.978 ( -0.721 -10.483 13.421) 17.045 7.187 ( -0.299 -6.472 11.921) 13.568 9.102 ( 0.028 -29.920 -0.093) 29.920 9.408 ( -0.126 -1.992 3.075) 3.666 10.022 ( 0.412 6.292 -6.934) 9.372 10.445 ( 0.537 7.020 -6.300) 9.448 10.531 ( 0.114 -0.695 0.865) 1.116 10.850 ( -0.030 0.353 2.442) 2.468 11.288 ( -0.459 10.050 4.529) 11.033 11.429 ( 0.248 13.799 -2.499) 14.026 11.957 ( 0.012 18.763 8.786) 20.718 13.212 ( 2.010 -5.953 -21.662) 22.555 13.599 ( 4.015 29.597 -9.940) 31.479 15.291 ( 1.622 19.920 -23.667) 30.977 16.979 ( -7.020 -9.359 23.848) 26.563 17.293 ( -0.523 1.004 15.029) 15.072 18.369 ( 0.072 -17.284 -1.496) 17.349 18.423 ( 0.580 -15.671 -0.428) 15.687 ======================= Grid point 194 (68/322) ======================= q-point: ( 0.46 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.161 -6.424 -3.777) 7.454 1.649 ( 0.424 -4.439 -1.976) 4.877 1.931 ( 0.690 -13.530 5.044) 14.456 2.250 ( 0.433 1.121 -5.694) 5.820 2.320 ( -0.069 0.307 -3.556) 3.570 2.475 ( -0.043 -9.285 1.081) 9.348 2.482 ( 0.287 -9.531 1.648) 9.676 2.694 ( 1.133 -4.435 1.523) 4.824 2.701 ( -0.850 4.602 0.292) 4.689 2.708 ( -0.142 -6.089 -0.095) 6.091 2.746 ( -0.494 -0.335 0.692) 0.914 2.817 ( -0.834 0.195 -0.291) 0.904 4.784 ( 0.939 -21.389 -9.438) 23.397 4.980 ( 0.108 -6.470 -3.137) 7.191 5.355 ( -0.432 -12.239 6.038) 13.654 5.743 ( 1.528 -14.428 -14.214) 20.311 6.027 ( -1.735 -4.217 1.766) 4.890 6.173 ( -0.633 6.214 7.646) 9.873 7.161 ( -0.744 -7.540 11.032) 13.383 7.296 ( -0.496 -3.704 11.208) 11.814 9.511 ( -0.234 -7.293 4.216) 8.427 9.581 ( -0.128 -16.661 1.348) 16.716 9.938 ( -0.181 0.664 1.824) 1.949 10.262 ( 0.690 8.909 -2.203) 9.203 10.375 ( -0.815 14.100 9.597) 17.076 10.683 ( -0.859 15.825 11.138) 19.371 11.222 ( -0.049 -2.620 -2.067) 3.338 11.327 ( 0.409 -1.501 -0.936) 1.816 11.839 ( -0.295 -5.123 -1.996) 5.506 12.880 ( 3.469 27.157 -8.071) 28.542 13.603 ( 1.720 -16.483 -25.447) 30.368 14.867 ( 1.809 22.061 -26.890) 34.828 17.083 ( -4.313 -3.330 23.000) 23.636 17.247 ( -0.820 3.229 18.946) 19.237 18.640 ( 0.111 -9.821 -2.180) 10.060 18.671 ( 0.396 -8.961 -1.694) 9.128 ======================= Grid point 195 (69/322) ======================= q-point: ( 0.54 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.455 -1.896 -3.115) 3.675 1.714 ( 0.008 -1.599 -3.858) 4.176 2.166 ( 0.275 -6.630 -2.480) 7.084 2.237 ( 0.905 -0.491 -3.560) 3.705 2.336 ( -0.203 -4.204 0.680) 4.264 2.492 ( -0.516 8.880 2.322) 9.193 2.611 ( 0.123 -3.120 1.007) 3.281 2.638 ( -0.244 -1.780 1.188) 2.154 2.740 ( -0.713 -0.564 -0.307) 0.960 2.759 ( 0.792 -0.341 -0.327) 0.922 2.814 ( 0.371 -2.939 0.600) 3.023 2.837 ( -0.715 -1.498 0.420) 1.712 5.051 ( 0.199 -7.537 -4.410) 8.735 5.109 ( 0.533 -2.474 -5.885) 6.406 5.607 ( -0.847 -13.365 13.182) 18.791 5.856 ( -0.810 9.850 11.082) 14.849 6.049 ( 1.971 -6.789 -12.851) 14.667 6.124 ( -0.530 0.899 -12.346) 12.390 7.273 ( -0.593 -3.597 9.800) 10.457 7.331 ( -0.717 0.142 10.771) 10.795 9.656 ( -0.470 -7.096 5.994) 9.300 9.754 ( -0.159 -0.395 3.685) 3.710 9.989 ( -0.690 -4.470 9.257) 10.303 10.115 ( -0.836 9.185 11.709) 14.905 10.178 ( 0.620 -1.555 1.784) 2.447 10.349 ( -0.987 14.232 8.046) 16.379 11.310 ( -0.084 -4.749 -2.402) 5.323 11.369 ( 0.479 -0.258 -2.551) 2.608 12.037 ( -1.011 -13.345 -5.147) 14.339 12.407 ( 2.451 20.629 -6.323) 21.715 13.985 ( 1.857 -20.787 -28.208) 35.089 14.419 ( 1.845 22.329 -28.567) 36.305 17.121 ( -2.887 -1.993 22.743) 23.012 17.186 ( -0.678 2.667 21.468) 21.643 18.769 ( 0.176 -3.245 -2.608) 4.167 18.787 ( 0.207 -2.619 -2.353) 3.527 ======================= Grid point 196 (70/322) ======================= q-point: (-0.38 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -0.082 1.930 -2.915) 3.497 1.717 ( 0.490 1.530 -3.953) 4.267 2.206 ( 0.810 3.730 -3.731) 5.338 2.234 ( -2.302 3.009 -1.997) 4.282 2.293 ( 1.168 4.356 1.282) 4.688 2.486 ( 0.260 -7.316 1.323) 7.439 2.616 ( 0.558 2.502 1.107) 2.792 2.628 ( -0.434 2.954 0.840) 3.102 2.739 ( -0.657 0.912 -0.451) 1.211 2.759 ( 0.660 0.383 -0.256) 0.804 2.815 ( -0.200 2.441 0.625) 2.528 2.851 ( 0.205 0.318 0.652) 0.754 5.036 ( 0.478 7.845 -5.308) 9.484 5.124 ( 0.206 2.251 -5.399) 5.853 5.594 ( -0.770 13.483 13.521) 19.110 5.852 ( -0.535 -7.684 9.567) 12.282 6.035 ( 0.085 4.550 -9.783) 10.790 6.155 ( 1.491 -1.167 -14.264) 14.389 7.293 ( -1.057 3.224 11.001) 11.513 7.313 ( -0.291 -0.027 9.973) 9.977 9.660 ( -0.266 7.014 5.801) 9.106 9.757 ( -0.402 -0.157 4.100) 4.122 9.993 ( -0.518 4.520 9.130) 10.201 10.113 ( -0.704 -9.514 12.422) 15.663 10.181 ( -0.813 1.724 0.860) 2.091 10.344 ( -0.031 -13.984 8.379) 16.303 11.316 ( 0.376 4.967 -2.587) 5.612 11.361 ( -0.084 0.251 -2.262) 2.277 12.056 ( 1.686 14.959 -5.668) 16.085 12.359 ( -1.462 -19.412 -6.210) 20.433 13.984 ( 1.753 20.778 -28.074) 34.971 14.421 ( 1.811 -22.370 -28.695) 36.429 17.151 ( -0.218 1.248 22.494) 22.530 17.168 ( -1.966 -3.125 21.710) 22.022 18.773 ( 0.237 2.852 -2.552) 3.835 18.779 ( 0.049 3.445 -2.464) 4.236 ======================= Grid point 197 (71/322) ======================= q-point: (-0.31 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.599 5.917 -3.587) 6.945 1.647 ( -0.472 5.235 -1.921) 5.596 1.933 ( -1.476 14.893 6.313) 16.243 2.258 ( -0.113 -1.898 -4.833) 5.194 2.301 ( 1.125 -1.076 -4.878) 5.121 2.461 ( 0.024 9.023 1.164) 9.097 2.486 ( -0.287 10.022 1.474) 10.134 2.654 ( 1.282 -0.223 -0.448) 1.376 2.668 ( -0.370 4.775 0.279) 4.798 2.729 ( 0.008 2.142 -0.740) 2.266 2.776 ( 0.068 -0.147 1.627) 1.635 2.843 ( -0.039 -0.303 0.363) 0.474 4.773 ( 0.592 20.825 -10.036) 23.125 4.984 ( 0.210 7.458 -3.030) 8.053 5.351 ( -0.256 11.785 6.642) 13.530 5.724 ( 0.688 13.603 -12.655) 18.592 6.068 ( 0.361 2.709 2.135) 3.468 6.170 ( -0.048 -4.566 4.720) 6.567 7.184 ( -1.272 7.498 12.646) 14.757 7.283 ( -0.572 3.416 10.497) 11.053 9.513 ( -0.304 7.721 4.053) 8.725 9.592 ( -0.331 16.178 2.202) 16.331 9.942 ( -0.160 -0.669 1.580) 1.723 10.264 ( -0.487 -8.873 -1.685) 9.044 10.375 ( -0.367 -14.031 8.841) 16.588 10.672 ( -0.318 -15.481 10.971) 18.977 11.221 ( 0.334 3.042 -2.156) 3.743 11.326 ( -0.272 0.786 -0.243) 0.866 11.826 ( 0.904 6.525 -2.863) 7.183 12.819 ( -1.067 -26.734 -8.073) 27.947 13.602 ( 1.557 16.553 -25.322) 30.292 14.870 ( 1.597 -22.101 -27.004) 34.932 17.130 ( 0.288 2.088 22.655) 22.752 17.236 ( -1.354 -3.390 19.226) 19.569 18.642 ( 0.156 10.175 -2.116) 10.394 18.656 ( 0.129 9.037 -1.911) 9.238 ======================= Grid point 198 (72/322) ======================= q-point: (-0.23 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.368 18.719 -1.219) 18.762 1.537 ( -0.753 5.978 2.062) 6.368 1.713 ( -0.462 6.717 5.906) 8.957 2.203 ( 0.109 14.906 1.389) 14.971 2.224 ( -0.551 14.900 2.462) 15.112 2.268 ( 0.285 3.068 -6.260) 6.977 2.326 ( 0.288 0.483 -7.020) 7.043 2.466 ( 1.188 12.026 0.261) 12.087 2.572 ( -0.093 6.196 2.046) 6.526 2.757 ( 0.083 -0.806 0.005) 0.810 2.819 ( 0.364 -3.977 0.066) 3.995 2.870 ( -0.135 -2.155 -0.559) 2.230 4.218 ( 0.565 32.875 -12.962) 35.342 4.885 ( 0.444 3.144 -6.874) 7.572 5.104 ( 0.339 12.255 1.395) 12.339 5.449 ( 0.937 12.852 -12.008) 17.614 5.861 ( -0.014 17.256 6.658) 18.496 6.256 ( -0.340 -1.328 12.704) 12.777 6.993 ( -1.640 11.031 14.088) 17.968 7.180 ( -0.953 6.306 11.639) 13.272 9.110 ( -0.366 30.130 0.520) 30.137 9.410 ( -0.330 1.895 3.181) 3.717 10.026 ( 0.300 -6.380 -6.984) 9.464 10.444 ( 0.306 -6.731 -6.463) 9.336 10.527 ( -0.018 0.728 0.381) 0.822 10.836 ( 0.340 -0.227 1.814) 1.860 11.289 ( -0.168 -10.596 4.778) 11.625 11.429 ( 0.060 -12.977 -2.491) 13.214 11.934 ( -0.162 -18.978 8.639) 20.852 13.195 ( 1.256 3.364 -20.850) 21.157 13.553 ( -0.613 -26.476 -10.377) 28.444 15.293 ( 1.316 -19.958 -23.749) 31.050 17.056 ( 0.860 6.658 23.176) 24.129 17.283 ( -1.085 -0.817 15.383) 15.443 18.364 ( 0.353 17.706 -1.502) 17.773 18.409 ( 0.068 15.737 -0.648) 15.751 ======================= Grid point 199 (73/322) ======================= q-point: (-0.15 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.686 21.136 3.313) 21.405 1.392 ( -0.757 8.642 4.735) 9.883 1.594 ( -0.050 6.882 2.804) 7.432 1.858 ( 0.186 18.960 3.669) 19.313 1.885 ( -0.987 17.026 6.196) 18.145 2.092 ( -0.469 14.133 -3.937) 14.679 2.175 ( 1.394 14.698 -3.124) 15.091 2.343 ( -0.257 0.477 -6.799) 6.821 2.502 ( 0.752 1.258 0.413) 1.523 2.760 ( -0.137 0.398 1.271) 1.339 2.890 ( 0.247 -1.957 -1.983) 2.797 2.915 ( -0.240 -2.086 -1.114) 2.377 3.502 ( 0.610 36.395 -16.935) 40.147 4.800 ( 0.336 8.786 -3.119) 9.330 4.908 ( 0.797 6.488 -2.856) 7.133 5.177 ( 1.031 17.818 3.583) 18.204 5.473 ( -1.243 13.865 1.535) 14.005 6.193 ( -0.201 7.918 9.856) 12.644 6.729 ( -1.558 15.603 15.493) 22.043 7.072 ( -1.107 3.180 14.548) 14.932 8.413 ( -0.325 38.141 -0.370) 38.144 9.463 ( -0.125 -6.616 -0.879) 6.675 10.111 ( 0.593 0.215 -12.748) 12.764 10.416 ( 0.842 4.973 -11.602) 12.651 10.512 ( 0.182 0.662 0.496) 0.847 10.825 ( 0.453 -1.396 -5.568) 5.758 11.530 ( -0.938 -12.362 11.329) 16.794 11.891 ( 1.304 -30.807 -12.723) 33.356 12.463 ( -0.085 -27.106 4.947) 27.554 13.110 ( 0.627 -3.163 -7.712) 8.360 14.254 ( -0.594 -38.517 -11.010) 40.064 15.659 ( 1.003 -16.401 -19.650) 25.615 16.868 ( 0.921 13.005 25.052) 28.241 17.244 ( -0.929 5.332 10.667) 11.961 17.934 ( 0.725 25.219 -0.795) 25.242 18.030 ( -0.035 21.625 1.167) 21.656 ======================= Grid point 200 (74/322) ======================= q-point: (-0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -0.249 17.860 7.033) 19.196 1.156 ( -0.642 15.732 6.857) 17.174 1.333 ( -0.085 19.356 -0.270) 19.358 1.469 ( -0.403 19.484 8.243) 21.160 1.645 ( -1.013 6.528 9.999) 11.984 1.768 ( -0.555 16.026 0.524) 16.044 1.851 ( 0.759 17.794 -1.813) 17.902 2.310 ( -0.883 5.544 -8.514) 10.198 2.459 ( 1.328 7.404 -6.408) 9.882 2.675 ( -0.488 17.931 -5.499) 18.762 2.749 ( -0.013 2.652 -2.929) 3.951 2.955 ( -1.050 -2.124 -1.689) 2.910 3.065 ( 1.261 2.322 -4.231) 4.988 4.335 ( -2.255 34.478 33.745) 48.296 4.798 ( 1.008 3.489 -6.028) 7.038 4.986 ( 0.832 -0.472 -9.501) 9.549 5.394 ( -0.184 -2.764 -10.456) 10.817 5.964 ( -0.460 14.006 7.515) 15.902 6.367 ( -1.172 19.367 14.342) 24.127 7.055 ( -0.693 -0.676 19.232) 19.257 7.630 ( 0.126 38.328 -0.647) 38.334 9.626 ( -0.262 -8.321 -6.066) 10.301 10.021 ( 0.575 5.829 -15.286) 16.369 10.339 ( 0.839 2.700 -10.437) 10.813 10.540 ( 0.050 -3.353 1.737) 3.777 10.892 ( 0.351 -4.734 -8.635) 9.853 11.745 ( -1.214 -8.532 8.075) 11.810 12.583 ( 2.595 -31.386 -22.671) 38.804 12.727 ( 0.696 -6.229 -14.368) 15.676 13.572 ( -1.345 -38.562 21.432) 44.138 15.010 ( 0.228 -35.506 -14.539) 38.368 15.946 ( 0.489 -12.385 -14.175) 18.830 16.576 ( -2.773 15.294 28.059) 32.077 17.032 ( -0.286 16.679 5.877) 17.687 17.375 ( 1.074 30.062 0.154) 30.081 17.578 ( 0.622 22.147 2.724) 22.322 ======================= Grid point 203 (75/322) ======================= q-point: ( 0.15 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 10.989 0.000 9.179) 14.318 0.561 ( 0.789 0.000 16.092) 16.111 0.711 ( -1.585 -0.000 5.575) 5.795 0.917 ( -2.240 -0.000 41.412) 41.472 1.188 ( -2.176 -0.000 11.935) 12.132 1.321 ( 1.447 0.000 0.280) 1.474 1.586 ( -0.710 -0.000 13.418) 13.436 1.613 ( -1.907 -0.000 24.603) 24.677 2.318 ( -2.728 -0.000 -10.661) 11.005 2.590 ( 1.524 0.000 0.522) 1.611 2.682 ( -3.615 -0.000 -6.267) 7.235 2.980 ( -0.902 -0.000 -0.900) 1.274 3.102 ( -1.160 -0.000 -1.438) 1.848 3.394 ( -13.044 -0.000 27.073) 30.051 4.801 ( 0.343 0.000 -5.914) 5.924 5.160 ( 1.353 0.000 -21.810) 21.852 5.478 ( -1.920 -0.000 11.298) 11.460 5.649 ( 3.785 0.000 -13.643) 14.158 5.836 ( -0.890 -0.000 12.689) 12.720 6.624 ( 0.150 0.000 -1.776) 1.782 7.136 ( 1.163 0.000 26.083) 26.109 9.745 ( 0.268 0.000 -16.009) 16.011 9.939 ( -3.761 -0.000 -13.573) 14.084 10.358 ( 1.355 0.000 -7.169) 7.296 10.632 ( -0.338 -0.000 0.589) 0.679 11.289 ( -4.953 -0.000 -10.677) 11.770 11.718 ( -0.327 -0.000 5.345) 5.355 12.198 ( -4.407 -0.000 28.153) 28.496 13.776 ( 1.795 0.000 -28.520) 28.576 14.744 ( -64.926 -0.000 69.405) 95.040 14.912 ( -1.753 -0.000 26.977) 27.034 16.041 ( -3.398 -0.000 -5.144) 6.165 16.126 ( 0.805 0.000 1.282) 1.514 16.600 ( 0.959 0.000 0.727) 1.204 16.684 ( 0.257 0.000 -5.133) 5.140 17.379 ( 20.826 0.000 -35.047) 40.768 ======================= Grid point 204 (76/322) ======================= q-point: ( 0.23 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 9.616 -6.331 7.066) 13.509 0.789 ( 0.879 -19.110 13.138) 23.207 0.920 ( -1.076 -18.603 2.515) 18.803 1.072 ( -2.146 -17.265 17.446) 24.638 1.422 ( -1.123 -15.101 1.527) 15.220 1.482 ( 0.137 -14.544 0.899) 14.572 1.603 ( -0.242 -3.344 14.254) 14.643 1.902 ( -0.511 -23.094 5.015) 23.637 2.317 ( -2.097 -1.308 -11.292) 11.559 2.601 ( 1.835 -0.341 0.623) 1.967 2.692 ( -1.834 -2.402 -1.519) 3.383 2.968 ( -0.632 1.044 -1.565) 1.985 3.084 ( -0.366 1.172 -1.202) 1.718 3.596 ( -11.682 -24.884 35.630) 45.002 4.786 ( 0.596 0.651 -5.694) 5.762 5.056 ( 0.135 6.451 -15.660) 16.937 5.523 ( 2.806 7.979 -13.286) 15.750 5.663 ( -1.790 -13.252 7.676) 15.418 6.004 ( -0.790 -15.155 12.958) 19.955 6.953 ( 1.548 -28.269 -3.251) 28.497 7.124 ( 0.284 1.649 26.195) 26.249 9.716 ( -0.589 3.038 -12.001) 12.394 9.920 ( -1.800 -1.226 -14.390) 14.553 10.334 ( 1.329 1.293 -7.187) 7.423 10.605 ( -0.267 2.450 1.968) 3.154 11.014 ( -0.742 9.655 -4.292) 10.593 11.837 ( -0.446 1.091 -0.016) 1.179 12.512 ( -1.824 -17.694 -6.257) 18.856 13.378 ( 1.391 33.594 -23.586) 41.070 14.391 ( -1.791 38.095 25.836) 46.064 15.012 ( -35.908 -31.437 43.118) 64.319 16.097 ( -3.663 -0.672 -6.936) 7.873 16.267 ( -1.037 14.504 -4.505) 15.223 16.622 ( -0.174 -17.233 1.069) 17.267 16.831 ( 0.605 -22.736 1.090) 22.771 17.410 ( 10.454 -3.263 -10.883) 15.439 ======================= Grid point 205 (77/322) ======================= q-point: ( 0.31 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 5.760 -14.984 4.414) 16.649 1.175 ( 1.161 -15.639 6.765) 17.079 1.322 ( -0.733 -19.112 -1.028) 19.154 1.456 ( -1.412 -19.942 7.826) 21.469 1.646 ( -0.244 -7.202 11.044) 13.187 1.762 ( 0.077 -16.953 -0.947) 16.980 1.857 ( -0.134 -17.492 -0.078) 17.492 2.270 ( -0.786 -4.047 -10.155) 10.960 2.462 ( -0.178 -12.725 -5.756) 13.967 2.682 ( 0.996 -12.079 -0.603) 12.135 2.741 ( 0.252 -5.515 -6.299) 8.376 2.933 ( -0.390 2.090 -1.979) 2.905 3.070 ( -0.243 -1.955 -3.607) 4.110 4.241 ( -8.252 -37.933 35.181) 52.390 4.811 ( 0.687 -3.582 -6.063) 7.075 4.971 ( -0.546 0.596 -11.034) 11.064 5.388 ( 0.974 4.424 -11.291) 12.165 5.956 ( -0.988 -14.523 6.447) 15.920 6.369 ( -0.605 -19.426 14.666) 24.348 7.088 ( 0.158 1.754 21.862) 21.932 7.648 ( 1.289 -37.905 -2.085) 37.984 9.597 ( -0.892 7.563 -5.689) 9.506 9.999 ( -0.120 -6.665 -15.366) 16.749 10.350 ( 1.144 -2.563 -9.821) 10.214 10.544 ( -0.051 3.082 1.908) 3.626 10.891 ( 0.631 3.995 -7.954) 8.923 11.734 ( -0.572 8.242 7.969) 11.478 12.594 ( 1.127 30.990 -22.912) 38.556 12.720 ( 0.617 5.784 -14.137) 15.287 13.581 ( -0.861 38.552 21.928) 44.360 15.104 ( 9.181 28.103 -9.583) 31.079 15.933 ( -0.148 11.228 -12.314) 16.665 16.188 ( -25.759 -23.209 28.904) 45.140 17.062 ( 0.697 -17.200 4.379) 17.762 17.392 ( 0.057 -29.554 -0.126) 29.554 17.641 ( 2.816 -17.041 1.415) 17.330 ======================= Grid point 206 (78/322) ======================= q-point: ( 0.38 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 2.929 -18.953 1.628) 19.247 1.412 ( 1.046 -8.352 4.528) 9.558 1.580 ( -0.968 -7.572 2.683) 8.091 1.853 ( -0.627 -19.435 3.548) 19.767 1.896 ( 0.453 -16.622 6.704) 17.929 2.092 ( 0.810 -14.667 -3.762) 15.163 2.184 ( -0.317 -13.636 -4.595) 14.393 2.304 ( -0.608 -2.853 -6.363) 7.000 2.529 ( 0.252 -0.545 1.702) 1.805 2.738 ( -1.050 -0.559 1.465) 1.887 2.884 ( -0.016 2.504 -1.730) 3.044 2.907 ( -0.022 1.598 -1.732) 2.357 3.498 ( 1.373 -36.678 -16.461) 40.225 4.781 ( -0.939 -11.653 -1.063) 11.739 4.923 ( 0.314 -6.283 -3.028) 6.982 5.150 ( -2.917 -20.108 5.413) 21.027 5.413 ( -0.919 -10.594 -2.986) 11.045 6.195 ( -0.886 -8.508 8.908) 12.350 6.729 ( -0.469 -15.323 16.095) 22.228 7.089 ( -0.183 -2.251 15.863) 16.023 8.419 ( 0.720 -37.275 -1.353) 37.306 9.450 ( -0.271 5.608 -0.627) 5.649 10.101 ( 0.586 -0.920 -12.870) 12.916 10.424 ( 0.872 -4.863 -10.697) 11.783 10.516 ( -0.043 -0.267 0.216) 0.346 10.838 ( 0.730 0.976 -4.503) 4.665 11.523 ( -0.807 12.124 11.007) 16.395 11.900 ( 0.721 31.071 -12.626) 33.546 12.478 ( 0.092 26.298 4.590) 26.696 13.114 ( 0.450 3.290 -7.582) 8.278 14.367 ( 7.102 41.179 -12.015) 43.480 15.657 ( 1.441 16.240 -19.478) 25.401 16.637 ( -13.693 -22.598 28.080) 38.557 17.267 ( 0.091 -4.480 9.698) 10.683 17.945 ( -0.125 -24.802 -1.051) 24.825 18.053 ( 0.797 -20.857 1.301) 20.912 ======================= Grid point 207 (79/322) ======================= q-point: ( 0.46 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 1.102 -16.382 -2.553) 16.616 1.552 ( 0.797 -5.635 1.537) 5.895 1.715 ( -0.103 -7.758 6.291) 9.989 2.203 ( -0.373 -13.905 0.099) 13.910 2.221 ( 0.391 -13.429 2.013) 13.584 2.282 ( 0.480 -2.703 -6.182) 6.764 2.304 ( 0.300 -5.389 -5.483) 7.694 2.497 ( -0.712 -12.000 -0.313) 12.026 2.581 ( 0.207 -5.468 3.683) 6.596 2.740 ( -0.872 -0.079 1.013) 1.339 2.823 ( 0.566 4.942 -0.228) 4.979 2.842 ( -0.909 2.371 -1.204) 2.810 4.222 ( 1.187 -33.303 -12.577) 35.618 4.890 ( 0.625 -3.218 -7.287) 7.991 5.106 ( -0.446 -11.738 1.240) 11.812 5.451 ( 0.696 -13.769 -13.123) 19.033 5.787 ( -2.632 -18.657 8.251) 20.569 6.267 ( -1.029 1.284 12.606) 12.713 6.981 ( -0.418 -10.309 13.537) 17.021 7.190 ( -0.356 -6.372 12.143) 13.718 9.103 ( 0.234 -29.794 -0.223) 29.795 9.409 ( -0.075 -2.033 3.113) 3.719 10.022 ( 0.481 6.288 -6.906) 9.352 10.446 ( 0.554 6.805 -6.496) 9.424 10.532 ( 0.043 -0.504 1.185) 1.288 10.850 ( -0.306 0.485 2.597) 2.660 11.287 ( -0.494 9.997 4.561) 11.000 11.430 ( 0.299 13.758 -2.832) 14.049 11.960 ( -0.361 18.919 8.784) 20.862 13.216 ( 1.765 -6.853 -21.981) 23.092 13.625 ( 3.800 30.997 -10.154) 32.838 15.292 ( 1.695 19.940 -23.588) 30.933 16.937 ( -6.571 -10.871 24.404) 27.512 17.296 ( -0.666 1.073 14.819) 14.873 18.369 ( -0.028 -17.320 -1.635) 17.397 18.427 ( 0.402 -15.578 -0.521) 15.592 ======================= Grid point 208 (80/322) ======================= q-point: ( 0.54 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 0.101 -6.530 -4.560) 7.966 1.652 ( 0.480 -4.099 -1.317) 4.332 1.939 ( 0.847 -13.476 4.904) 14.366 2.250 ( 0.435 0.952 -5.586) 5.683 2.317 ( -0.263 0.372 -3.647) 3.676 2.474 ( -0.232 -9.333 0.902) 9.379 2.486 ( 0.316 -9.437 1.816) 9.616 2.687 ( -1.900 -0.409 -0.804) 2.103 2.705 ( 0.997 0.187 1.994) 2.237 2.709 ( 0.093 -5.642 0.239) 5.648 2.745 ( -0.010 -0.616 0.961) 1.142 2.812 ( -0.390 0.314 -0.228) 0.550 4.786 ( 0.771 -21.339 -9.426) 23.341 4.979 ( 0.187 -6.408 -3.201) 7.165 5.354 ( -0.494 -12.339 6.002) 13.730 5.747 ( 1.208 -14.524 -14.148) 20.312 6.017 ( -1.076 -4.752 1.447) 5.083 6.171 ( -0.720 6.429 8.063) 10.337 7.162 ( -0.421 -7.464 11.052) 13.343 7.297 ( -0.693 -3.598 11.253) 11.835 9.512 ( -0.206 -7.236 4.237) 8.388 9.581 ( 0.055 -16.630 1.320) 16.682 9.937 ( -0.119 0.702 1.900) 2.029 10.267 ( 0.739 8.781 -2.186) 9.079 10.373 ( -0.827 14.122 9.554) 17.070 10.681 ( -1.047 15.866 11.230) 19.466 11.220 ( -0.066 -2.604 -2.086) 3.337 11.330 ( 0.421 -1.535 -1.156) 1.967 11.835 ( -0.537 -4.787 -1.929) 5.189 12.901 ( 2.667 27.307 -8.504) 28.725 13.603 ( 1.719 -16.419 -25.478) 30.359 14.868 ( 1.847 22.095 -26.834) 34.809 17.062 ( -3.745 -3.935 23.280) 23.905 17.249 ( -0.974 3.146 18.786) 19.073 18.640 ( 0.151 -9.848 -2.173) 10.086 18.673 ( 0.183 -8.903 -1.838) 9.092 ======================= Grid point 209 (81/322) ======================= q-point: ( 0.62 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 0.052 -1.705 -3.960) 4.312 1.714 ( 0.415 -1.768 -3.044) 3.544 2.169 ( 0.657 -5.929 -2.874) 6.621 2.243 ( 0.921 -0.554 -3.292) 3.463 2.333 ( -0.760 -4.718 0.816) 4.848 2.489 ( -0.593 8.956 2.194) 9.240 2.613 ( 0.175 -3.173 1.120) 3.369 2.636 ( -0.329 -1.889 1.042) 2.182 2.735 ( -0.499 -0.502 -0.303) 0.770 2.764 ( 0.523 -0.341 -0.390) 0.736 2.818 ( 0.572 -2.899 0.605) 3.016 2.832 ( -0.681 -1.648 0.579) 1.874 5.049 ( 0.043 -7.448 -4.252) 8.576 5.111 ( 0.684 -2.548 -6.098) 6.645 5.606 ( -1.026 -13.362 13.193) 18.806 5.855 ( -0.874 9.697 11.157) 14.809 6.058 ( 1.774 -7.162 -13.355) 15.257 6.115 ( -0.031 1.233 -11.860) 11.924 7.274 ( -0.332 -3.562 9.868) 10.497 7.330 ( -0.967 0.139 10.715) 10.759 9.656 ( -0.403 -7.066 6.028) 9.297 9.755 ( -0.134 -0.389 3.678) 3.701 9.989 ( -0.640 -4.479 9.385) 10.419 10.115 ( -0.841 9.113 11.472) 14.675 10.184 ( 0.599 -1.530 1.865) 2.486 10.346 ( -1.035 14.339 8.097) 16.499 11.309 ( 0.020 -4.742 -2.366) 5.299 11.371 ( 0.355 -0.229 -2.639) 2.672 12.028 ( -0.675 -13.190 -5.013) 14.127 12.420 ( 1.646 20.863 -6.627) 21.952 13.985 ( 1.843 -20.772 -28.235) 35.101 14.420 ( 1.865 22.367 -28.537) 36.306 17.112 ( -2.396 -2.312 22.924) 23.164 17.190 ( -0.959 2.481 21.322) 21.487 18.770 ( 0.297 -3.250 -2.498) 4.110 18.787 ( 0.026 -2.589 -2.509) 3.606 ======================= Grid point 210 (82/322) ======================= q-point: (-0.31 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( -0.031 1.949 -2.834) 3.440 1.718 ( 0.439 1.533 -4.004) 4.310 2.207 ( -0.729 8.583 -1.746) 8.789 2.218 ( -0.671 -1.105 -3.743) 3.960 2.303 ( 1.282 3.782 0.995) 4.115 2.489 ( 0.274 -7.311 1.431) 7.455 2.622 ( 0.631 2.734 1.183) 3.045 2.624 ( -0.463 2.540 0.875) 2.726 2.735 ( -0.327 0.803 -0.405) 0.957 2.763 ( 0.326 0.450 -0.310) 0.636 2.814 ( -0.198 2.465 0.572) 2.538 2.852 ( 0.016 0.306 0.581) 0.656 5.038 ( 0.715 7.907 -5.463) 9.637 5.122 ( -0.062 2.204 -5.171) 5.622 5.596 ( -0.599 13.460 13.498) 19.071 5.853 ( -0.489 -7.869 9.519) 12.360 6.032 ( 0.303 4.703 -9.760) 10.838 6.158 ( 1.057 -1.278 -14.263) 14.359 7.289 ( -1.202 3.196 10.676) 11.209 7.317 ( -0.194 0.044 10.266) 10.268 9.661 ( -0.344 7.082 5.773) 9.143 9.755 ( -0.423 -0.178 4.081) 4.107 9.993 ( -0.577 4.517 9.018) 10.102 10.114 ( -0.701 -9.586 12.632) 15.873 10.175 ( -0.725 1.777 0.788) 2.075 10.348 ( -0.022 -13.905 8.325) 16.206 11.317 ( 0.259 4.963 -2.604) 5.611 11.360 ( 0.064 0.281 -2.205) 2.223 12.065 ( 1.205 15.151 -5.820) 16.275 12.348 ( -0.475 -19.400 -5.865) 20.273 13.984 ( 1.772 20.791 -28.060) 34.968 14.420 ( 1.801 -22.331 -28.711) 36.418 17.158 ( -1.035 0.718 22.190) 22.226 17.165 ( -1.436 -3.000 21.981) 22.231 18.775 ( 0.402 2.827 -2.384) 3.720 18.777 ( -0.048 3.468 -2.585) 4.326 ======================= Grid point 211 (83/322) ======================= q-point: (-0.23 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.141 4.646 -1.478) 4.878 1.643 ( 0.048 6.684 -3.945) 7.762 1.926 ( -1.171 14.634 6.135) 15.911 2.255 ( -0.095 -1.820 -5.142) 5.455 2.308 ( 1.181 -0.950 -4.425) 4.678 2.462 ( 0.203 9.011 1.273) 9.103 2.485 ( -0.305 10.052 1.384) 10.151 2.665 ( 1.443 -1.178 0.010) 1.863 2.667 ( 0.074 5.532 0.449) 5.550 2.728 ( -0.157 2.295 -0.883) 2.464 2.775 ( -0.425 -0.289 1.445) 1.533 2.841 ( -0.349 -0.244 0.177) 0.461 4.773 ( 0.788 20.967 -9.943) 23.219 4.984 ( 0.120 7.336 -2.989) 7.923 5.352 ( -0.228 11.782 6.568) 13.491 5.725 ( 1.007 13.671 -12.968) 18.870 6.069 ( -0.383 2.423 2.508) 3.508 6.172 ( -0.103 -4.578 4.697) 6.560 7.179 ( -1.503 7.551 12.323) 14.530 7.284 ( -0.384 3.573 10.612) 11.204 9.512 ( -0.310 7.701 4.065) 8.714 9.590 ( -0.471 16.269 2.070) 16.407 9.941 ( -0.207 -0.636 1.559) 1.697 10.259 ( -0.316 -8.983 -1.848) 9.177 10.376 ( -0.458 -14.037 9.071) 16.719 10.675 ( -0.230 -15.498 10.913) 18.956 11.222 ( 0.300 3.000 -2.122) 3.687 11.324 ( -0.177 0.877 -0.187) 0.914 11.832 ( 0.895 6.574 -2.770) 7.190 12.812 ( 0.375 -26.683 -7.703) 27.776 13.601 ( 1.595 16.580 -25.314) 30.303 14.869 ( 1.603 -22.067 -27.029) 34.929 17.139 ( -0.966 1.783 22.472) 22.563 17.235 ( -1.153 -3.413 19.319) 19.652 18.642 ( 0.092 10.100 -2.124) 10.321 18.658 ( 0.381 9.065 -1.762) 9.242 ======================= Grid point 212 (84/322) ======================= q-point: (-0.15 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.104 18.814 -0.793) 18.831 1.534 ( -0.253 5.996 1.840) 6.277 1.712 ( -0.424 6.571 5.732) 8.730 2.205 ( 0.111 14.663 1.331) 14.724 2.221 ( -0.519 14.841 2.275) 15.023 2.268 ( 0.496 3.306 -6.019) 6.885 2.323 ( 0.017 1.227 -6.937) 7.045 2.477 ( 1.395 11.639 0.518) 11.733 2.573 ( -0.115 6.125 2.068) 6.465 2.758 ( 0.019 -0.677 0.099) 0.684 2.820 ( -0.094 -4.051 -0.158) 4.055 2.868 ( -0.293 -2.261 -0.607) 2.360 4.216 ( 0.704 33.016 -12.854) 35.437 4.885 ( 0.527 3.188 -6.920) 7.637 5.107 ( 0.258 12.092 1.416) 12.177 5.450 ( 0.921 12.707 -12.488) 17.840 5.859 ( -1.311 17.386 6.913) 18.756 6.260 ( -0.319 -1.391 12.927) 13.006 6.987 ( -1.634 10.999 13.816) 17.735 7.179 ( -0.713 6.433 11.554) 13.243 9.108 ( -0.405 30.156 0.424) 30.161 9.409 ( -0.310 1.890 3.124) 3.664 10.024 ( 0.285 -6.357 -6.986) 9.450 10.444 ( 0.347 -6.985 -6.264) 9.388 10.527 ( 0.080 0.877 0.280) 0.924 10.840 ( 0.442 -0.171 1.885) 1.944 11.289 ( -0.217 -10.482 4.672) 11.478 11.429 ( 0.072 -13.237 -2.238) 13.425 11.939 ( 0.154 -18.802 8.682) 20.711 13.196 ( 1.694 3.278 -20.785) 21.110 13.548 ( 0.856 -26.205 -10.172) 28.123 15.292 ( 1.352 -19.937 -23.780) 31.061 17.064 ( -1.773 6.321 22.972) 23.891 17.283 ( -0.821 -0.764 15.436) 15.476 18.366 ( 0.337 17.564 -1.401) 17.623 18.410 ( 0.358 15.781 -0.517) 15.793 ======================= Grid point 213 (85/322) ======================= q-point: (-0.08 0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.847 21.085 3.510) 21.392 1.391 ( -0.154 8.654 4.643) 9.822 1.594 ( -0.392 6.884 2.666) 7.393 1.860 ( -0.113 18.988 3.665) 19.339 1.882 ( -0.494 17.059 6.250) 18.174 2.088 ( -0.081 14.253 -3.888) 14.774 2.183 ( 1.002 14.473 -3.381) 14.897 2.336 ( -0.817 1.072 -6.445) 6.584 2.509 ( 1.008 0.951 0.398) 1.441 2.758 ( -0.478 0.440 1.262) 1.419 2.889 ( -0.105 -2.284 -2.060) 3.078 2.913 ( -0.156 -1.563 -1.209) 1.982 3.499 ( 0.729 36.389 -16.817) 40.094 4.799 ( -0.099 8.744 -3.241) 9.326 4.913 ( 0.842 6.571 -2.775) 7.182 5.183 ( 0.010 17.744 3.541) 18.093 5.460 ( -2.117 13.842 1.313) 14.064 6.196 ( -0.350 8.055 9.834) 12.717 6.725 ( -1.309 15.500 15.534) 21.983 7.073 ( -0.647 3.034 14.498) 14.827 8.411 ( -0.061 38.040 -0.458) 38.043 9.460 ( -0.319 -6.491 -0.964) 6.570 10.109 ( 0.470 0.290 -12.877) 12.889 10.417 ( 0.937 4.985 -11.197) 12.292 10.514 ( 0.196 0.521 0.303) 0.634 10.827 ( 0.694 -1.196 -5.386) 5.561 11.528 ( -0.978 -12.210 11.110) 16.536 11.895 ( 1.269 -30.979 -12.539) 33.445 12.466 ( 0.122 -26.986 5.026) 27.451 13.111 ( 0.658 -3.130 -7.761) 8.394 14.255 ( 2.264 -38.404 -10.883) 39.980 15.657 ( 1.052 -16.360 -19.676) 25.611 16.863 ( -5.254 13.174 24.891) 28.648 17.245 ( -0.097 5.320 10.662) 11.916 17.939 ( 0.664 25.042 -0.617) 25.059 18.032 ( 0.443 21.605 1.294) 21.648 ======================= Grid point 217 (86/322) ======================= q-point: ( 0.23 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 11.354 0.000 6.132) 12.904 0.578 ( 1.346 0.000 15.341) 15.400 0.700 ( -2.038 -0.000 5.951) 6.290 0.922 ( -1.603 -0.000 40.227) 40.259 1.176 ( -2.253 -0.000 11.679) 11.894 1.333 ( 1.495 0.000 0.281) 1.522 1.587 ( -0.765 -0.000 14.242) 14.262 1.610 ( -1.969 -0.000 24.915) 24.993 2.293 ( -2.190 -0.000 -10.360) 10.589 2.594 ( -1.080 -0.000 2.351) 2.587 2.654 ( -2.138 -0.000 -5.021) 5.457 2.974 ( -0.540 -0.000 -0.760) 0.932 3.091 ( -1.666 -0.000 0.732) 1.820 3.316 ( -9.746 -0.000 25.192) 27.011 4.801 ( 0.535 0.000 -6.262) 6.285 5.160 ( 1.374 0.000 -21.801) 21.844 5.465 ( -2.643 -0.000 12.042) 12.329 5.670 ( 3.298 0.000 -15.414) 15.763 5.836 ( -0.877 -0.000 12.685) 12.715 6.624 ( 0.156 0.000 -1.773) 1.779 7.156 ( 0.265 0.000 27.267) 27.269 9.739 ( 0.215 0.000 -16.502) 16.504 9.904 ( -3.228 -0.000 -12.729) 13.131 10.369 ( 2.066 0.000 -6.901) 7.203 10.630 ( -0.168 -0.000 0.918) 0.933 11.247 ( -4.309 -0.000 -7.305) 8.481 11.718 ( -0.344 -0.000 5.342) 5.353 12.180 ( -3.845 -0.000 29.503) 29.752 13.776 ( 1.764 0.000 -28.532) 28.587 14.354 ( -43.856 -0.000 80.078) 91.301 14.912 ( -1.735 -0.000 26.993) 27.048 16.023 ( -0.920 -0.000 -9.147) 9.194 16.133 ( 0.732 0.000 1.304) 1.496 16.603 ( -0.071 -0.000 -0.015) 0.073 16.684 ( 0.263 0.000 -5.130) 5.136 17.483 ( 11.299 0.000 -36.757) 38.454 ======================= Grid point 218 (87/322) ======================= q-point: ( 0.31 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 9.213 -5.004 4.861) 11.556 0.804 ( 1.294 -18.873 12.801) 22.842 0.912 ( -1.224 -18.921 2.321) 19.102 1.065 ( -1.888 -16.865 17.461) 24.349 1.415 ( -1.044 -16.079 1.997) 16.236 1.483 ( 0.069 -12.693 0.339) 12.698 1.609 ( 0.015 -3.983 14.751) 15.279 1.901 ( -0.478 -23.239 6.308) 24.085 2.298 ( -1.319 -1.486 -11.398) 11.570 2.614 ( 1.007 -0.791 2.149) 2.501 2.678 ( -1.555 -3.178 -1.970) 4.050 2.963 ( -0.261 1.048 -1.686) 2.002 3.079 ( -0.683 0.894 -0.788) 1.374 3.526 ( -10.147 -25.352 35.192) 44.544 4.788 ( 0.567 0.593 -5.896) 5.953 5.049 ( 0.073 6.707 -15.576) 16.959 5.537 ( 2.402 8.666 -13.729) 16.412 5.653 ( -1.674 -13.700 7.055) 15.500 6.004 ( -0.733 -15.249 13.005) 20.055 6.962 ( 1.071 -28.974 -3.142) 29.164 7.138 ( -0.163 2.078 26.829) 26.910 9.706 ( -0.295 3.299 -11.878) 12.331 9.899 ( -1.447 -2.004 -14.270) 14.483 10.342 ( 1.624 1.578 -6.717) 7.089 10.604 ( -0.236 2.410 2.352) 3.376 11.007 ( -0.499 8.941 -4.348) 9.954 11.836 ( -0.007 0.897 0.222) 0.924 12.494 ( -1.872 -18.610 -4.095) 19.147 13.376 ( 1.124 33.461 -23.334) 40.809 14.389 ( -1.917 35.933 27.697) 45.409 14.781 ( -28.413 -40.790 56.920) 75.571 16.070 ( -1.913 1.267 -12.280) 12.492 16.261 ( 0.150 18.052 -7.674) 19.616 16.621 ( -0.140 -17.719 1.115) 17.754 16.832 ( -0.390 -22.830 0.272) 22.835 17.471 ( 6.874 -1.429 -13.806) 15.489 ======================= Grid point 219 (88/322) ======================= q-point: ( 0.38 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 5.148 -13.603 3.130) 14.878 1.188 ( 1.318 -15.528 6.677) 16.954 1.315 ( -0.822 -18.925 -1.190) 18.980 1.449 ( -1.341 -20.104 7.819) 21.613 1.651 ( -0.103 -7.627 11.235) 13.580 1.763 ( 0.261 -17.397 -1.259) 17.444 1.855 ( -0.373 -17.044 0.493) 17.055 2.261 ( -0.106 -3.720 -10.655) 11.286 2.457 ( -0.376 -13.558 -5.078) 14.483 2.689 ( 0.580 -9.067 2.109) 9.327 2.742 ( 0.917 -8.137 -8.722) 11.964 2.930 ( 0.026 2.006 -1.992) 2.827 3.065 ( -0.546 -1.911 -3.468) 3.997 4.196 ( -7.572 -39.241 35.863) 53.697 4.812 ( 0.422 -3.538 -6.126) 7.086 4.961 ( -0.386 0.728 -11.596) 11.626 5.391 ( 1.141 4.836 -11.480) 12.509 5.951 ( -0.913 -14.662 6.028) 15.879 6.372 ( -0.521 -19.532 14.770) 24.493 7.099 ( -0.420 1.943 22.957) 23.043 7.657 ( 1.269 -37.823 -2.765) 37.945 9.589 ( -0.490 7.334 -5.280) 9.050 9.991 ( 0.104 -7.058 -15.161) 16.724 10.353 ( 1.056 -2.355 -9.655) 9.994 10.544 ( -0.155 3.038 1.973) 3.626 10.892 ( 0.709 3.772 -7.711) 8.613 11.735 ( -0.262 8.294 8.277) 11.721 12.589 ( 0.652 30.054 -23.212) 37.980 12.718 ( 0.767 6.305 -13.930) 15.310 13.585 ( -0.945 38.665 22.020) 44.505 15.183 ( 11.691 25.796 -7.437) 29.282 15.913 ( -6.662 1.364 0.451) 6.815 16.013 ( -18.621 -16.262 17.094) 30.057 17.068 ( 0.233 -17.477 3.944) 17.919 17.391 ( -0.451 -29.535 -0.685) 29.547 17.661 ( 2.112 -15.852 0.776) 16.011 ======================= Grid point 220 (89/322) ======================= q-point: ( 0.46 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 2.286 -18.163 0.715) 18.320 1.422 ( 0.989 -8.177 4.542) 9.406 1.574 ( -0.888 -7.924 2.849) 8.467 1.850 ( -0.522 -19.563 3.433) 19.869 1.903 ( 0.325 -16.430 6.920) 17.831 2.097 ( 0.933 -14.705 -3.768) 15.209 2.178 ( -0.631 -13.669 -4.698) 14.468 2.298 ( -0.026 -2.881 -6.701) 7.294 2.530 ( -0.311 -0.644 2.114) 2.232 2.732 ( -0.716 -0.547 1.602) 1.838 2.883 ( -0.206 2.156 -1.811) 2.823 2.907 ( 0.351 2.221 -1.583) 2.750 3.501 ( 1.528 -36.798 -16.424) 40.326 4.774 ( -0.913 -13.006 0.073) 13.039 4.923 ( 0.045 -6.091 -3.231) 6.895 5.130 ( -2.735 -20.570 5.686) 21.516 5.408 ( 0.121 -9.680 -4.100) 10.513 6.192 ( -0.969 -8.549 8.601) 12.166 6.734 ( -0.392 -15.347 16.262) 22.363 7.095 ( -0.422 -2.116 16.424) 16.565 8.424 ( 0.761 -37.063 -1.635) 37.107 9.448 ( -0.090 5.383 -0.412) 5.399 10.099 ( 0.750 -1.101 -12.747) 12.816 10.425 ( 0.767 -4.809 -10.869) 11.910 10.516 ( -0.154 -0.302 0.348) 0.486 10.841 ( 0.543 1.081 -4.311) 4.478 11.523 ( -0.689 12.240 11.178) 16.590 11.898 ( 0.537 30.948 -12.830) 33.506 12.480 ( -0.131 26.139 4.335) 26.496 13.113 ( 0.376 3.386 -7.470) 8.211 14.414 ( 6.171 42.735 -12.717) 45.013 15.659 ( 1.544 16.271 -19.376) 25.349 16.551 ( -11.537 -26.264 29.550) 41.184 17.271 ( -0.212 -4.352 9.372) 10.336 17.943 ( -0.380 -24.886 -1.406) 24.928 18.059 ( 0.524 -20.602 1.191) 20.643 ======================= Grid point 221 (90/322) ======================= q-point: ( 0.54 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 0.758 -15.782 -3.236) 16.128 1.559 ( 0.676 -5.471 1.584) 5.736 1.718 ( -0.137 -8.240 6.584) 10.548 2.201 ( -0.298 -13.651 -0.145) 13.655 2.226 ( 0.390 -13.484 2.254) 13.677 2.280 ( 0.004 -3.027 -6.387) 7.068 2.306 ( 0.895 -4.943 -5.394) 7.371 2.489 ( -1.155 -12.137 -0.542) 12.203 2.583 ( -0.132 -5.637 3.752) 6.772 2.736 ( -0.373 -0.111 1.244) 1.303 2.824 ( -0.568 5.261 -0.391) 5.306 2.839 ( 0.410 2.075 -0.993) 2.337 4.225 ( 1.142 -33.217 -12.623) 35.553 4.891 ( 0.551 -3.185 -7.304) 7.987 5.103 ( -0.506 -11.843 1.163) 11.911 5.449 ( 0.558 -14.182 -12.638) 19.004 5.775 ( -1.467 -18.710 8.127) 20.451 6.264 ( -1.197 1.206 12.353) 12.470 6.985 ( -0.239 -10.203 13.733) 17.110 7.193 ( -0.499 -6.247 12.346) 13.846 9.105 ( 0.365 -29.688 -0.277) 29.691 9.410 ( -0.058 -2.064 3.168) 3.781 10.022 ( 0.547 6.296 -6.882) 9.344 10.447 ( 0.540 6.534 -6.734) 9.398 10.533 ( -0.048 -0.307 1.461) 1.494 10.848 ( -0.537 0.611 2.673) 2.794 11.285 ( -0.475 10.017 4.627) 11.045 11.430 ( 0.319 13.601 -3.176) 13.970 11.960 ( -0.773 19.112 8.758) 21.037 13.217 ( 1.497 -7.416 -22.191) 23.446 13.646 ( 2.814 32.024 -10.453) 33.804 15.294 ( 1.723 19.968 -23.516) 30.898 16.903 ( -4.995 -12.092 24.900) 28.128 17.297 ( -0.855 1.113 14.640) 14.707 18.367 ( -0.102 -17.418 -1.787) 17.510 18.428 ( 0.151 -15.487 -0.644) 15.501 ======================= Grid point 222 (91/322) ======================= q-point: ( 0.62 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.082 -6.507 -4.901) 8.147 1.655 ( 0.457 -3.946 -1.061) 4.112 1.948 ( 0.726 -13.577 4.922) 14.460 2.251 ( 0.438 0.806 -5.373) 5.450 2.312 ( -0.337 0.630 -3.902) 3.967 2.473 ( -0.320 -9.310 0.844) 9.354 2.489 ( 0.161 -9.463 1.857) 9.645 2.671 ( -1.895 -0.024 -0.866) 2.084 2.707 ( -0.338 -5.404 0.374) 5.428 2.714 ( 0.761 -0.141 1.116) 1.358 2.746 ( 0.219 -1.204 1.429) 1.882 2.811 ( 0.263 0.478 0.020) 0.546 4.787 ( 0.564 -21.223 -9.487) 23.254 4.979 ( 0.258 -6.466 -3.255) 7.243 5.353 ( -0.546 -12.374 6.045) 13.783 5.747 ( 0.776 -14.491 -13.796) 20.023 6.012 ( -0.129 -5.146 1.002) 5.244 6.170 ( -0.753 6.474 8.191) 10.468 7.166 ( -0.176 -7.390 11.246) 13.459 7.297 ( -0.894 -3.462 11.230) 11.785 9.512 ( -0.201 -7.238 4.234) 8.387 9.583 ( 0.189 -16.538 1.395) 16.598 9.938 ( -0.048 0.735 1.945) 2.080 10.272 ( 0.655 8.653 -2.120) 8.933 10.371 ( -0.789 14.139 9.429) 17.013 10.678 ( -1.153 15.863 11.301) 19.511 11.219 ( -0.036 -2.637 -2.115) 3.380 11.332 ( 0.339 -1.485 -1.284) 1.993 11.829 ( -0.620 -4.636 -1.967) 5.074 12.913 ( 1.398 27.394 -8.910) 28.840 13.604 ( 1.696 -16.362 -25.491) 30.338 14.869 ( 1.855 22.132 -26.796) 34.804 17.049 ( -2.655 -4.355 23.504) 24.051 17.250 ( -1.184 3.083 18.665) 18.955 18.640 ( 0.179 -9.915 -2.168) 10.151 18.672 ( -0.036 -8.856 -1.989) 9.076 ======================= Grid point 223 (92/322) ======================= q-point: ( 0.69 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.110 -1.710 -4.037) 4.386 1.715 ( 0.361 -1.743 -2.982) 3.472 2.174 ( 0.931 -5.151 -3.233) 6.152 2.248 ( 0.942 -0.557 -3.053) 3.244 2.325 ( -1.314 -5.323 1.059) 5.584 2.485 ( -0.532 8.799 1.957) 9.030 2.615 ( -0.014 -3.188 1.199) 3.406 2.634 ( -0.262 -2.083 0.920) 2.293 2.732 ( -0.070 -0.456 -0.292) 0.546 2.767 ( 0.066 -0.377 -0.476) 0.610 2.823 ( 0.360 -3.374 0.290) 3.405 2.828 ( -0.204 -1.059 1.070) 1.519 5.047 ( -0.074 -7.485 -4.228) 8.597 5.113 ( 0.768 -2.504 -6.222) 6.750 5.604 ( -1.169 -13.376 13.241) 18.857 5.854 ( -0.870 9.329 11.045) 14.484 6.062 ( 0.935 -6.946 -13.118) 14.873 6.113 ( 1.053 1.263 -11.977) 12.090 7.277 ( -0.123 -3.512 10.070) 10.666 7.327 ( -1.170 0.145 10.575) 10.640 9.656 ( -0.347 -7.025 6.037) 9.269 9.756 ( -0.118 -0.335 3.719) 3.736 9.989 ( -0.577 -4.483 9.478) 10.500 10.114 ( -0.830 9.092 11.362) 14.576 10.189 ( 0.430 -1.537 1.809) 2.412 10.342 ( -0.969 14.402 8.188) 16.595 11.308 ( 0.147 -4.759 -2.355) 5.312 11.372 ( 0.176 -0.204 -2.681) 2.695 12.022 ( -0.130 -13.232 -4.961) 14.132 12.426 ( 0.602 20.908 -6.867) 22.016 13.985 ( 1.821 -20.755 -28.240) 35.094 14.420 ( 1.878 22.400 -28.528) 36.320 17.107 ( -1.681 -2.482 23.036) 23.230 17.192 ( -1.345 2.366 21.235) 21.409 18.771 ( 0.378 -3.284 -2.404) 4.087 18.785 ( -0.119 -2.583 -2.646) 3.700 ======================= Grid point 224 (93/322) ======================= q-point: (-0.23 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.103 1.976 -2.814) 3.440 1.719 ( 0.317 1.527 -4.017) 4.309 2.194 ( -1.782 8.490 -1.016) 8.734 2.219 ( 0.743 -0.640 -4.477) 4.583 2.313 ( 1.240 3.522 0.864) 3.833 2.491 ( 0.227 -7.461 1.615) 7.637 2.620 ( -0.605 3.201 0.857) 3.369 2.628 ( 0.676 1.883 1.325) 2.400 2.734 ( 0.111 0.723 -0.379) 0.824 2.763 ( -0.074 0.455 -0.343) 0.574 2.813 ( -0.187 2.556 0.526) 2.616 2.851 ( -0.162 0.414 0.509) 0.676 5.041 ( 0.851 7.966 -5.483) 9.708 5.118 ( -0.228 2.142 -5.056) 5.495 5.598 ( -0.490 13.433 13.441) 19.009 5.854 ( -0.469 -8.265 9.666) 12.727 6.030 ( 0.587 4.991 -10.012) 11.203 6.157 ( 0.580 -1.233 -14.131) 14.196 7.285 ( -1.252 3.320 10.429) 11.016 7.320 ( -0.169 -0.017 10.446) 10.447 9.661 ( -0.443 7.130 5.778) 9.188 9.754 ( -0.387 -0.110 4.017) 4.037 9.993 ( -0.639 4.498 8.954) 10.041 10.115 ( -0.714 -9.601 12.710) 15.945 10.170 ( -0.483 1.805 0.827) 2.043 10.352 ( -0.135 -13.880 8.252) 16.148 11.318 ( 0.111 4.935 -2.593) 5.575 11.360 ( 0.227 0.301 -2.200) 2.233 12.068 ( 0.478 15.069 -5.862) 16.176 12.346 ( 0.780 -19.514 -5.639) 20.328 13.984 ( 1.798 20.800 -28.065) 34.978 14.420 ( 1.797 -22.297 -28.709) 36.395 17.158 ( -1.657 -0.067 21.971) 22.033 17.166 ( -1.180 -2.358 22.178) 22.334 18.775 ( -0.101 3.371 -2.690) 4.314 18.777 ( 0.513 2.871 -2.238) 3.676 ======================= Grid point 225 (94/322) ======================= q-point: (-0.15 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -0.224 4.815 -0.783) 4.883 1.644 ( 0.528 6.570 -4.633) 8.057 1.921 ( -0.711 14.303 5.871) 15.478 2.252 ( 0.053 -1.655 -5.390) 5.638 2.315 ( 0.998 -0.803 -4.053) 4.250 2.465 ( 0.355 9.036 1.387) 9.148 2.483 ( -0.297 10.012 1.299) 10.101 2.669 ( 0.436 3.404 1.049) 3.589 2.677 ( 1.533 0.784 0.136) 1.727 2.725 ( -0.330 2.305 -1.024) 2.544 2.771 ( -0.956 -0.264 1.244) 1.591 2.837 ( -0.615 -0.204 0.013) 0.648 4.775 ( 0.945 21.127 -9.804) 23.310 4.983 ( 0.047 7.125 -2.986) 7.725 5.354 ( -0.247 11.843 6.441) 13.484 5.727 ( 1.317 13.819 -13.333) 19.248 6.064 ( -1.106 2.551 2.510) 3.746 6.173 ( -0.226 -4.881 5.224) 7.153 7.173 ( -1.538 7.596 11.908) 14.208 7.287 ( -0.277 3.695 10.780) 11.399 9.512 ( -0.310 7.629 4.094) 8.663 9.587 ( -0.526 16.393 1.873) 16.508 9.940 ( -0.234 -0.617 1.585) 1.716 10.257 ( -0.047 -9.051 -2.001) 9.270 10.377 ( -0.568 -14.049 9.291) 16.853 10.679 ( -0.261 -15.558 10.911) 19.005 11.223 ( 0.223 2.910 -2.091) 3.590 11.323 ( -0.030 1.035 -0.255) 1.067 11.837 ( 0.717 6.395 -2.592) 6.937 12.817 ( 1.863 -26.714 -7.496) 27.808 13.601 ( 1.636 16.586 -25.328) 30.320 14.868 ( 1.637 -22.041 -27.027) 34.913 17.137 ( -2.340 1.793 22.424) 22.617 17.237 ( -0.957 -3.404 19.325) 19.646 18.641 ( 0.046 9.998 -2.152) 10.227 18.661 ( 0.564 9.077 -1.630) 9.240 ======================= Grid point 226 (95/322) ======================= q-point: (-0.08 0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 0.626 18.510 -0.766) 18.537 1.535 ( 0.220 5.988 1.658) 6.217 1.712 ( -0.373 6.623 5.697) 8.744 2.206 ( 0.090 14.231 1.045) 14.270 2.218 ( -0.433 14.766 2.160) 14.930 2.270 ( 0.769 3.537 -5.765) 6.807 2.319 ( -0.236 2.166 -6.776) 7.117 2.488 ( 1.284 11.476 0.607) 11.563 2.573 ( -0.085 5.925 2.287) 6.352 2.757 ( -0.236 -0.381 0.353) 0.571 2.818 ( -0.250 -4.233 -0.452) 4.264 2.864 ( -0.526 -2.432 -0.651) 2.571 4.216 ( 0.871 33.158 -12.741) 35.533 4.886 ( 0.593 3.220 -7.005) 7.733 5.109 ( 0.096 11.928 1.413) 12.011 5.451 ( 0.908 12.751 -12.919) 18.174 5.848 ( -2.465 17.674 7.287) 19.276 6.264 ( -0.409 -1.419 13.033) 13.116 6.982 ( -1.429 10.874 13.571) 17.449 7.180 ( -0.493 6.512 11.588) 13.302 9.105 ( -0.345 30.122 0.266) 30.125 9.408 ( -0.263 1.909 3.081) 3.634 10.023 ( 0.304 -6.331 -6.978) 9.427 10.443 ( 0.415 -7.127 -6.166) 9.433 10.529 ( 0.139 0.914 0.352) 0.989 10.844 ( 0.401 -0.177 2.040) 2.086 11.290 ( -0.292 -10.326 4.586) 11.303 11.428 ( 0.115 -13.504 -2.154) 13.675 11.945 ( 0.306 -18.695 8.728) 20.634 13.200 ( 2.033 3.846 -20.953) 21.400 13.556 ( 2.301 -26.812 -9.983) 28.703 15.291 ( 1.426 -19.920 -23.775) 31.049 17.051 ( -4.352 6.775 23.039) 24.405 17.285 ( -0.577 -0.807 15.377) 15.409 18.368 ( 0.271 17.423 -1.366) 17.479 18.413 ( 0.567 15.784 -0.422) 15.800 ======================= Grid point 231 (96/322) ======================= q-point: ( 0.31 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 9.732 0.000 4.133) 10.574 0.597 ( 1.674 0.000 14.541) 14.637 0.685 ( -2.414 -0.000 6.373) 6.814 0.931 ( -1.377 -0.000 39.052) 39.076 1.165 ( -2.039 -0.000 11.585) 11.763 1.344 ( 1.253 0.000 0.066) 1.255 1.588 ( -0.752 -0.000 15.196) 15.215 1.608 ( -1.951 -0.000 25.284) 25.359 2.274 ( -1.137 -0.000 -10.073) 10.137 2.575 ( -3.514 -0.000 3.326) 4.839 2.647 ( 0.458 0.000 -3.745) 3.773 2.971 ( -0.012 -0.000 -0.846) 0.846 3.078 ( -1.816 -0.000 2.766) 3.308 3.265 ( -6.209 -0.000 21.428) 22.309 4.803 ( 0.564 0.000 -6.447) 6.472 5.160 ( 1.400 0.000 -21.781) 21.826 5.450 ( -2.619 -0.000 12.018) 12.300 5.684 ( 2.372 0.000 -15.915) 16.091 5.835 ( -0.850 -0.000 12.690) 12.718 6.625 ( 0.151 0.000 -1.771) 1.777 7.168 ( -0.791 -0.000 28.440) 28.451 9.732 ( 0.298 0.000 -16.952) 16.954 9.878 ( -1.891 -0.000 -12.231) 12.377 10.383 ( 2.391 0.000 -6.505) 6.930 10.630 ( 0.091 0.000 1.206) 1.209 11.215 ( -2.829 -0.000 -5.126) 5.855 11.718 ( -0.360 -0.000 5.334) 5.346 12.168 ( -2.932 -0.000 30.236) 30.378 13.775 ( 1.748 0.000 -28.541) 28.595 14.118 ( -27.297 -0.000 78.720) 83.318 14.912 ( -1.715 -0.000 27.004) 27.059 16.014 ( -0.126 -0.000 -10.788) 10.788 16.139 ( 0.623 0.000 1.304) 1.446 16.599 ( -1.033 -0.000 -1.183) 1.570 16.683 ( 0.283 0.000 -5.120) 5.127 17.533 ( 6.750 0.000 -36.601) 37.218 ======================= Grid point 232 (97/322) ======================= q-point: ( 0.38 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 7.168 -3.946 3.390) 8.857 0.821 ( 1.223 -18.650 12.403) 22.431 0.903 ( -1.129 -19.271 2.075) 19.415 1.060 ( -1.553 -16.370 17.614) 24.097 1.408 ( -0.804 -16.708 2.268) 16.880 1.484 ( 0.006 -11.488 0.118) 11.489 1.617 ( 0.090 -4.342 15.001) 15.617 1.901 ( -0.430 -23.506 7.451) 24.662 2.286 ( -0.225 -1.591 -11.469) 11.581 2.618 ( -0.186 -1.961 4.250) 4.684 2.668 ( -0.554 -3.161 -3.160) 4.504 2.962 ( 0.177 1.087 -1.821) 2.128 3.073 ( -0.863 0.672 -0.376) 1.157 3.474 ( -7.520 -25.063 34.306) 43.146 4.789 ( 0.425 0.608 -5.990) 6.035 5.042 ( 0.244 6.941 -15.469) 16.957 5.547 ( 1.839 8.984 -14.019) 16.752 5.645 ( -1.320 -14.064 6.488) 15.545 6.005 ( -0.698 -15.356 13.041) 20.159 6.967 ( 0.543 -29.225 -2.759) 29.360 7.148 ( -0.831 1.961 27.101) 27.184 9.700 ( 0.207 3.419 -11.758) 12.247 9.884 ( -0.708 -2.478 -14.056) 14.291 10.352 ( 1.655 1.987 -6.271) 6.783 10.603 ( -0.171 2.468 2.724) 3.679 11.002 ( -0.101 8.383 -4.392) 9.464 11.837 ( 0.441 0.710 0.490) 0.969 12.479 ( -1.448 -19.165 -2.249) 19.350 13.372 ( 0.945 33.347 -22.985) 40.512 14.389 ( -2.025 31.737 30.862) 44.315 14.624 ( -19.271 -41.715 60.940) 76.323 16.053 ( -0.670 3.122 -15.793) 16.113 16.260 ( 0.670 19.494 -8.799) 21.398 16.620 ( -0.183 -17.933 1.098) 17.967 16.825 ( -1.167 -23.126 -0.728) 23.167 17.508 ( 4.368 -0.803 -15.340) 15.970 ======================= Grid point 233 (98/322) ======================= q-point: ( 0.46 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 3.447 -12.518 2.131) 13.158 1.201 ( 1.047 -15.418 6.586) 16.799 1.309 ( -0.657 -18.746 -1.212) 18.796 1.444 ( -1.096 -20.238 7.881) 21.746 1.655 ( -0.114 -7.963 11.259) 13.791 1.765 ( 0.396 -17.833 -1.460) 17.897 1.852 ( -0.532 -16.485 0.939) 16.520 2.258 ( 0.728 -3.540 -10.962) 11.543 2.451 ( -0.448 -13.624 -4.417) 14.329 2.693 ( 0.180 -6.641 3.988) 7.749 2.747 ( 1.409 -10.632 -10.484) 14.998 2.931 ( 0.483 1.835 -2.020) 2.772 3.058 ( -0.708 -1.881 -3.364) 3.919 4.161 ( -5.873 -40.086 36.384) 54.454 4.811 ( 0.101 -3.460 -6.244) 7.139 4.954 ( 0.066 0.813 -11.882) 11.910 5.394 ( 1.234 5.009 -11.581) 12.678 5.948 ( -0.745 -14.728 5.737) 15.823 6.375 ( -0.531 -19.644 14.828) 24.618 7.104 ( -1.131 1.943 23.734) 23.840 7.665 ( 1.003 -37.782 -3.265) 37.936 9.585 ( 0.057 7.219 -4.870) 8.708 9.985 ( 0.477 -7.387 -14.908) 16.645 10.356 ( 0.910 -2.114 -9.590) 9.863 10.543 ( -0.248 3.040 2.022) 3.660 10.894 ( 0.757 3.654 -7.538) 8.411 11.738 ( -0.008 8.424 8.679) 12.095 12.582 ( 0.363 29.084 -23.517) 37.404 12.718 ( 0.951 6.964 -13.759) 15.451 13.588 ( -1.118 38.793 22.032) 44.627 15.279 ( 13.384 27.163 -7.446) 31.183 15.792 ( -21.179 -28.682 31.528) 47.595 15.954 ( -0.845 9.038 -11.774) 14.867 17.070 ( -0.103 -17.692 3.634) 18.061 17.385 ( -0.813 -29.612 -1.280) 29.651 17.675 ( 1.228 -15.146 0.300) 15.198 ======================= Grid point 234 (99/322) ======================= q-point: ( 0.54 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 1.126 -17.622 -0.005) 17.658 1.431 ( 0.625 -8.036 4.579) 9.270 1.569 ( -0.635 -8.204 3.048) 8.775 1.848 ( -0.404 -19.643 3.338) 19.929 1.908 ( 0.061 -16.275 7.071) 17.745 2.103 ( 1.029 -14.607 -3.841) 15.138 2.170 ( -0.904 -13.964 -4.506) 14.700 2.297 ( 0.686 -2.577 -7.178) 7.658 2.527 ( -0.799 -0.778 2.343) 2.595 2.729 ( -0.194 -0.542 1.787) 1.878 2.879 ( -0.316 1.963 -2.006) 2.824 2.910 ( 0.604 2.701 -1.315) 3.064 3.506 ( 1.578 -36.874 -16.454) 40.409 4.768 ( -0.646 -14.070 1.054) 14.124 4.921 ( -0.211 -5.916 -3.475) 6.864 5.114 ( -1.912 -20.570 5.613) 21.408 5.410 ( 1.030 -9.311 -4.545) 10.413 6.189 ( -0.974 -8.510 8.415) 12.008 6.739 ( -0.453 -15.403 16.345) 22.464 7.099 ( -0.769 -2.107 16.833) 16.982 8.429 ( 0.623 -36.956 -1.791) 37.004 9.448 ( 0.101 5.283 -0.221) 5.289 10.100 ( 0.930 -1.203 -12.608) 12.700 10.425 ( 0.666 -4.749 -11.161) 12.148 10.514 ( -0.236 -0.396 0.512) 0.689 10.842 ( 0.318 1.251 -4.247) 4.439 11.524 ( -0.576 12.398 11.402) 16.854 11.896 ( 0.415 30.780 -13.064) 33.440 12.480 ( -0.386 26.089 4.118) 26.414 13.112 ( 0.343 3.469 -7.374) 8.157 14.448 ( 3.874 44.031 -13.342) 46.171 15.661 ( 1.554 16.344 -19.305) 25.342 16.491 ( -7.185 -28.914 30.714) 42.790 17.273 ( -0.498 -4.287 9.149) 10.116 17.938 ( -0.526 -25.030 -1.740) 25.096 18.062 ( 0.132 -20.425 1.061) 20.453 ======================= Grid point 235 (100/322) ======================= q-point: ( 0.62 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.303 -15.467 -3.701) 15.906 1.564 ( 0.404 -5.370 1.655) 5.633 1.720 ( -0.304 -8.589 6.841) 10.984 2.199 ( -0.142 -13.496 -0.263) 13.499 2.229 ( 0.237 -13.754 2.584) 13.997 2.277 ( -0.037 -3.545 -6.338) 7.262 2.312 ( 1.060 -3.754 -5.778) 6.971 2.479 ( -1.307 -12.311 -0.652) 12.397 2.582 ( -0.496 -5.797 3.569) 6.825 2.736 ( 0.218 -0.195 1.495) 1.524 2.816 ( -0.985 4.769 -0.916) 4.955 2.845 ( 1.021 2.562 -0.432) 2.792 4.227 ( 1.019 -33.084 -12.717) 35.459 4.891 ( 0.440 -3.138 -7.265) 7.926 5.100 ( -0.468 -12.018 1.118) 12.078 5.447 ( 0.490 -14.465 -11.991) 18.796 5.773 ( -0.094 -18.588 7.758) 20.142 6.261 ( -1.276 1.139 12.131) 12.250 6.990 ( -0.203 -10.185 13.959) 17.281 7.195 ( -0.701 -6.123 12.491) 13.929 9.108 ( 0.390 -29.628 -0.238) 29.631 9.411 ( -0.081 -2.078 3.226) 3.838 10.023 ( 0.596 6.314 -6.871) 9.351 10.448 ( 0.504 6.258 -6.966) 9.378 10.533 ( -0.144 -0.138 1.641) 1.653 10.844 ( -0.676 0.701 2.652) 2.825 11.284 ( -0.410 10.102 4.720) 11.158 11.431 ( 0.307 13.370 -3.462) 13.815 11.957 ( -1.130 19.297 8.715) 21.203 13.217 ( 1.255 -7.610 -22.278) 23.576 13.657 ( 1.288 32.530 -10.735) 34.279 15.295 ( 1.699 19.994 -23.469) 30.878 16.886 ( -2.638 -12.754 25.225) 28.389 17.297 ( -1.044 1.135 14.530) 14.612 18.365 ( -0.132 -17.554 -1.917) 17.659 18.428 ( -0.122 -15.421 -0.769) 15.440 ======================= Grid point 236 (101/322) ======================= q-point: (-0.31 -0.69 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.144 -6.492 -4.986) 8.187 1.658 ( 0.326 -3.871 -1.012) 4.014 1.955 ( 0.325 -13.840 5.124) 14.762 2.252 ( 0.514 0.744 -5.109) 5.188 2.308 ( -0.350 1.003 -4.286) 4.416 2.470 ( -0.389 -9.279 0.839) 9.325 2.490 ( -0.017 -9.529 1.844) 9.705 2.657 ( -1.525 0.023 -0.966) 1.806 2.703 ( -0.732 -5.762 0.175) 5.811 2.719 ( 0.412 0.351 0.438) 0.696 2.750 ( 0.502 -1.610 1.884) 2.528 2.816 ( 0.775 0.573 0.355) 1.027 4.785 ( 0.369 -21.066 -9.606) 23.155 4.980 ( 0.308 -6.633 -3.287) 7.409 5.352 ( -0.574 -12.338 6.159) 13.801 5.745 ( 0.391 -14.340 -13.271) 19.543 6.015 ( 0.803 -5.327 0.524) 5.413 6.168 ( -0.717 6.360 8.041) 10.277 7.171 ( -0.048 -7.341 11.578) 13.709 7.294 ( -1.058 -3.323 11.134) 11.667 9.513 ( -0.219 -7.296 4.207) 8.425 9.585 ( 0.253 -16.412 1.561) 16.488 9.939 ( 0.011 0.759 1.948) 2.091 10.275 ( 0.453 8.555 -1.991) 8.795 10.370 ( -0.698 14.145 9.222) 16.900 10.675 ( -1.161 15.819 11.338) 19.497 11.218 ( 0.028 -2.705 -2.148) 3.454 11.334 ( 0.187 -1.364 -1.287) 1.885 11.824 ( -0.523 -4.702 -2.103) 5.177 12.913 ( -0.051 27.400 -9.200) 28.903 13.604 ( 1.652 -16.330 -25.484) 30.313 14.870 ( 1.832 22.161 -26.785) 34.813 17.045 ( -1.290 -4.495 23.621) 24.080 17.249 ( -1.400 3.058 18.611) 18.912 18.640 ( 0.193 -10.008 -2.170) 10.243 18.670 ( -0.216 -8.831 -2.109) 9.082 ======================= Grid point 237 (102/322) ======================= q-point: (-0.23 -0.69 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 0.243 -1.749 -4.026) 4.396 1.716 ( 0.227 -1.689 -2.988) 3.440 2.180 ( 1.098 -4.373 -3.539) 5.732 2.255 ( 0.973 -0.400 -2.944) 3.126 2.313 ( -1.814 -6.091 1.452) 6.519 2.483 ( -0.364 8.471 1.697) 8.647 2.614 ( -0.271 -3.085 1.174) 3.312 2.633 ( -0.132 -2.388 0.873) 2.546 2.733 ( 0.399 -0.444 -0.264) 0.653 2.765 ( -0.395 -0.465 -0.550) 0.821 2.822 ( -0.364 -2.958 0.484) 3.020 2.832 ( 0.718 -1.156 1.010) 1.695 5.044 ( -0.149 -7.584 -4.325) 8.732 5.116 ( 0.810 -2.409 -6.242) 6.740 5.601 ( -1.242 -13.406 13.313) 18.934 5.853 ( -0.812 8.851 10.791) 13.980 6.060 ( 0.133 -5.960 -12.168) 13.550 6.119 ( 1.978 0.737 -12.721) 12.895 7.282 ( -0.005 -3.470 10.389) 10.953 7.322 ( -1.275 0.167 10.349) 10.429 9.656 ( -0.303 -6.976 6.018) 9.218 9.756 ( -0.123 -0.253 3.798) 3.809 9.989 ( -0.516 -4.482 9.514) 10.529 10.113 ( -0.807 9.119 11.394) 14.617 10.192 ( 0.150 -1.559 1.650) 2.275 10.339 ( -0.809 14.403 8.289) 16.638 11.309 ( 0.272 -4.798 -2.373) 5.360 11.371 ( -0.011 -0.189 -2.665) 2.671 12.021 ( 0.519 -13.448 -4.993) 14.354 12.423 ( -0.473 20.742 -7.000) 21.896 13.985 ( 1.796 -20.743 -28.224) 35.072 14.420 ( 1.878 22.423 -28.542) 36.345 17.109 ( -0.906 -2.467 23.061) 23.211 17.191 ( -1.744 2.354 21.224) 21.425 18.773 ( 0.391 -3.331 -2.370) 4.107 18.783 ( -0.181 -2.610 -2.712) 3.769 ======================= Grid point 238 (103/322) ======================= q-point: (-0.15 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.264 1.992 -2.827) 3.468 1.719 ( 0.171 1.526 -4.020) 4.304 2.181 ( -1.338 7.966 -1.329) 8.186 2.223 ( 0.829 0.016 -4.266) 4.346 2.323 ( 1.059 3.443 0.764) 3.682 2.494 ( 0.106 -7.764 1.856) 7.984 2.616 ( -0.561 3.103 0.868) 3.271 2.634 ( 0.482 1.821 1.397) 2.345 2.736 ( 0.535 0.678 -0.360) 0.935 2.761 ( -0.438 0.421 -0.341) 0.697 2.812 ( -0.138 2.699 0.494) 2.747 2.850 ( -0.336 0.620 0.442) 0.832 5.045 ( 0.834 7.986 -5.341) 9.644 5.114 ( -0.215 2.103 -5.096) 5.517 5.601 ( -0.467 13.410 13.361) 18.936 5.855 ( -0.496 -8.798 9.990) 13.320 6.031 ( 0.941 5.392 -10.533) 11.870 6.153 ( 0.101 -1.071 -13.865) 13.907 7.280 ( -1.216 3.462 10.210) 10.849 7.324 ( -0.195 -0.091 10.575) 10.577 9.660 ( -0.525 7.145 5.816) 9.228 9.754 ( -0.317 0.033 3.924) 3.937 9.992 ( -0.689 4.475 8.952) 10.032 10.116 ( -0.743 -9.548 12.620) 15.842 10.168 ( -0.144 1.783 0.996) 2.047 10.354 ( -0.344 -13.912 8.169) 16.137 11.317 ( -0.028 4.887 -2.558) 5.516 11.361 ( 0.376 0.309 -2.246) 2.298 12.066 ( -0.268 14.697 -5.766) 15.790 12.355 ( 1.937 -19.693 -5.601) 20.565 13.984 ( 1.826 20.803 -28.088) 35.000 14.420 ( 1.798 -22.276 -28.688) 36.366 17.154 ( -2.241 0.580 22.101) 22.222 17.169 ( -0.959 -2.853 22.041) 22.246 18.773 ( -0.114 3.365 -2.753) 4.349 18.780 ( 0.563 2.785 -2.150) 3.563 ======================= Grid point 239 (104/322) ======================= q-point: (-0.08 0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -0.027 5.519 -1.608) 5.748 1.646 ( 0.460 5.782 -3.879) 6.978 1.921 ( -0.184 13.978 5.574) 15.049 2.250 ( 0.230 -1.470 -5.574) 5.769 2.319 ( 0.656 -0.612 -3.782) 3.887 2.469 ( 0.444 9.076 1.475) 9.206 2.481 ( -0.244 9.914 1.239) 9.994 2.675 ( 0.828 3.272 1.416) 3.660 2.689 ( 1.377 0.778 0.497) 1.658 2.721 ( -0.557 2.205 -1.117) 2.534 2.762 ( -1.293 -0.093 1.020) 1.649 2.832 ( -0.833 -0.176 -0.123) 0.861 4.778 ( 1.033 21.268 -9.651) 23.378 4.982 ( 0.019 6.873 -3.017) 7.506 5.355 ( -0.298 11.957 6.288) 13.513 5.732 ( 1.552 14.022 -13.708) 19.670 6.054 ( -1.677 3.001 2.287) 4.128 6.174 ( -0.371 -5.355 6.078) 8.109 7.167 ( -1.382 7.616 11.502) 13.864 7.291 ( -0.264 3.760 10.953) 11.584 9.511 ( -0.298 7.517 4.135) 8.584 9.584 ( -0.470 16.521 1.657) 16.611 9.939 ( -0.239 -0.615 1.648) 1.775 10.257 ( 0.254 -9.060 -2.113) 9.307 10.377 ( -0.673 -14.063 9.461) 16.963 10.682 ( -0.407 -15.649 10.960) 19.110 11.224 ( 0.118 2.795 -2.069) 3.479 11.323 ( 0.145 1.221 -0.430) 1.303 11.841 ( 0.411 6.031 -2.369) 6.493 12.833 ( 3.033 -26.820 -7.499) 28.013 13.602 ( 1.673 16.571 -25.361) 30.341 14.867 ( 1.690 -22.030 -26.998) 34.887 17.125 ( -3.520 2.117 22.517) 22.889 17.240 ( -0.812 -3.370 19.248) 19.557 18.641 ( 0.043 9.904 -2.174) 10.140 18.664 ( 0.621 9.061 -1.569) 9.216 ======================= Grid point 245 (105/322) ======================= q-point: ( 0.38 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 6.704 0.000 2.771) 7.254 0.618 ( 1.565 0.000 14.112) 14.198 0.669 ( -2.490 -0.000 6.500) 6.960 0.939 ( -1.513 -0.000 38.239) 38.269 1.156 ( -1.633 -0.000 11.583) 11.698 1.353 ( 0.819 0.000 -0.218) 0.848 1.591 ( -0.595 -0.000 15.999) 16.010 1.605 ( -1.848 -0.000 25.620) 25.687 2.265 ( 0.177 0.000 -9.875) 9.876 2.551 ( -2.810 -0.000 3.856) 4.772 2.650 ( 0.650 0.000 -3.098) 3.165 2.973 ( 0.538 0.000 -1.097) 1.222 3.065 ( -1.742 -0.000 4.272) 4.613 3.237 ( -3.576 -0.000 18.491) 18.833 4.803 ( 0.447 0.000 -6.467) 6.482 5.160 ( 1.425 0.000 -21.757) 21.804 5.437 ( -2.093 -0.000 11.696) 11.882 5.692 ( 1.594 0.000 -15.961) 16.040 5.835 ( -0.814 -0.000 12.701) 12.727 6.625 ( 0.138 0.000 -1.771) 1.776 7.172 ( -1.684 -0.000 29.257) 29.306 9.726 ( 0.404 0.000 -17.144) 17.148 9.863 ( -0.280 -0.000 -11.984) 11.988 10.398 ( 2.195 0.000 -6.082) 6.466 10.633 ( 0.359 0.000 1.417) 1.462 11.197 ( -1.164 -0.000 -3.884) 4.055 11.718 ( -0.371 -0.000 5.321) 5.334 12.164 ( -2.114 -0.000 30.600) 30.673 13.775 ( 1.750 0.000 -28.545) 28.598 13.988 ( -16.182 -0.000 75.493) 77.208 14.912 ( -1.699 -0.000 27.009) 27.063 16.009 ( 0.275 0.000 -11.456) 11.459 16.144 ( 0.473 0.000 1.292) 1.375 16.587 ( -1.719 -0.000 -2.508) 3.041 16.683 ( 0.314 0.000 -5.106) 5.115 17.558 ( 4.374 0.000 -36.204) 36.468 ======================= Grid point 246 (106/322) ======================= q-point: ( 0.46 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 3.974 -3.172 2.562) 5.693 0.834 ( 0.376 -18.511 11.915) 22.018 0.898 ( -0.457 -19.565 1.916) 19.664 1.058 ( -1.210 -15.946 17.952) 24.042 1.405 ( -0.471 -17.090 2.425) 17.268 1.484 ( -0.074 -10.840 0.017) 10.841 1.625 ( 0.001 -4.428 15.080) 15.716 1.901 ( -0.352 -23.809 8.218) 25.190 2.283 ( 0.959 -1.596 -11.516) 11.665 2.616 ( -0.880 -3.290 5.861) 6.779 2.665 ( 0.271 -2.667 -4.138) 4.931 2.964 ( 0.648 1.160 -1.946) 2.357 3.066 ( -0.948 0.507 -0.000) 1.075 3.443 ( -4.685 -24.578 33.610) 41.900 4.789 ( 0.187 0.680 -6.003) 6.044 5.037 ( 0.611 7.083 -15.370) 16.935 5.552 ( 1.314 8.962 -14.199) 16.842 5.639 ( -0.800 -14.226 6.090) 15.495 6.007 ( -0.692 -15.452 13.060) 20.243 6.968 ( 0.131 -29.131 -2.270) 29.220 7.152 ( -1.571 1.576 26.992) 27.084 9.698 ( 0.720 3.345 -11.619) 12.113 9.875 ( 0.270 -2.604 -13.755) 14.001 10.361 ( 1.366 2.395 -5.956) 6.563 10.604 ( -0.094 2.618 3.021) 3.998 11.001 ( 0.358 8.054 -4.412) 9.190 11.843 ( 0.793 0.558 0.722) 1.209 12.470 ( -0.755 -19.345 -1.060) 19.389 13.368 ( 0.878 33.273 -22.621) 40.244 14.390 ( -1.607 26.366 34.639) 43.561 14.535 ( -11.165 -38.353 59.988) 72.071 16.043 ( 0.228 4.396 -17.722) 18.260 16.262 ( 0.917 20.026 -9.122) 22.025 16.619 ( -0.241 -17.956 1.014) 17.986 16.813 ( -1.597 -23.552 -1.662) 23.665 17.527 ( 2.457 -0.613 -16.065) 16.264 ======================= Grid point 247 (107/322) ======================= q-point: ( 0.54 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 1.050 -11.872 1.545) 12.018 1.210 ( 0.271 -15.389 6.429) 16.680 1.305 ( -0.119 -18.568 -1.012) 18.596 1.440 ( -0.764 -20.292 7.994) 21.823 1.660 ( -0.271 -8.150 11.125) 13.794 1.767 ( 0.487 -18.227 -1.525) 18.297 1.848 ( -0.610 -15.883 1.171) 15.938 2.261 ( 1.562 -3.487 -11.038) 11.680 2.445 ( -0.422 -13.131 -3.958) 13.721 2.696 ( 0.106 -5.543 4.830) 7.353 2.752 ( 1.399 -12.036 -11.302) 16.570 2.936 ( 0.953 1.583 -2.092) 2.790 3.051 ( -0.744 -1.874 -3.318) 3.883 4.142 ( -3.585 -40.453 36.759) 54.777 4.807 ( -0.188 -3.383 -6.423) 7.262 4.950 ( 0.636 0.862 -11.881) 11.929 5.398 ( 1.298 4.951 -11.578) 12.659 5.945 ( -0.520 -14.711 5.622) 15.757 6.378 ( -0.628 -19.739 14.831) 24.697 7.105 ( -1.797 1.815 24.086) 24.221 7.669 ( 0.530 -37.786 -3.522) 37.953 9.585 ( 0.624 7.226 -4.535) 8.554 9.983 ( 0.945 -7.596 -14.654) 16.533 10.358 ( 0.712 -1.905 -9.646) 9.858 10.542 ( -0.299 3.092 2.045) 3.719 10.897 ( 0.755 3.666 -7.475) 8.360 11.743 ( 0.126 8.602 9.085) 12.512 12.572 ( 0.321 28.352 -23.758) 36.992 12.719 ( 1.107 7.549 -13.665) 15.651 13.589 ( -1.333 38.906 21.966) 44.699 15.374 ( 10.302 39.589 -14.779) 43.495 15.663 ( -13.844 -45.125 42.112) 63.256 15.949 ( 0.762 11.516 -13.815) 18.001 17.070 ( -0.324 -17.829 3.440) 18.161 17.377 ( -0.959 -29.746 -1.766) 29.813 17.681 ( 0.240 -14.826 0.016) 14.828 ======================= Grid point 248 (108/322) ======================= q-point: (-0.38 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -0.285 -17.443 -0.387) 17.450 1.436 ( -0.023 -7.994 4.646) 9.246 1.567 ( -0.225 -8.299 3.224) 8.906 1.847 ( -0.292 -19.673 3.282) 19.947 1.911 ( -0.291 -16.181 7.124) 17.682 2.110 ( 1.164 -14.355 -3.987) 14.944 2.160 ( -1.143 -14.409 -4.110) 15.027 2.302 ( 1.375 -2.099 -7.654) 8.055 2.520 ( -1.080 -0.909 2.388) 2.774 2.731 ( 0.324 -0.557 1.969) 2.072 2.876 ( -0.232 1.974 -2.151) 2.929 2.915 ( 0.633 2.928 -1.108) 3.193 3.509 ( 1.504 -36.887 -16.545) 40.455 4.765 ( -0.158 -14.556 1.615) 14.646 4.917 ( -0.395 -5.795 -3.699) 6.887 5.106 ( -0.786 -20.325 5.401) 21.045 5.419 ( 1.716 -9.428 -4.371) 10.533 6.185 ( -0.898 -8.404 8.375) 11.898 6.743 ( -0.632 -15.480 16.332) 22.511 7.100 ( -1.148 -2.211 17.016) 17.197 8.432 ( 0.340 -36.974 -1.784) 37.019 9.450 ( 0.270 5.327 -0.096) 5.335 10.101 ( 1.088 -1.208 -12.485) 12.590 10.424 ( 0.586 -4.692 -11.513) 12.447 10.513 ( -0.269 -0.529 0.676) 0.899 10.842 ( 0.093 1.449 -4.326) 4.563 11.525 ( -0.496 12.564 11.631) 17.128 11.892 ( 0.379 30.600 -13.279) 33.359 12.478 ( -0.614 26.159 3.991) 26.468 13.111 ( 0.348 3.520 -7.314) 8.125 14.459 ( 0.722 44.589 -13.677) 46.645 15.663 ( 1.463 16.411 -19.276) 25.358 16.472 ( -1.524 -29.840 31.270) 43.250 17.273 ( -0.747 -4.260 9.058) 10.038 17.933 ( -0.533 -25.201 -1.976) 25.284 18.062 ( -0.304 -20.354 0.938) 20.378 ======================= Grid point 249 (109/322) ======================= q-point: (-0.31 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -0.141 -15.509 -3.880) 15.988 1.566 ( -0.019 -5.374 1.763) 5.656 1.720 ( -0.527 -8.696 7.008) 11.181 2.198 ( 0.012 -13.574 -0.175) 13.575 2.232 ( 0.009 -14.116 2.870) 14.405 2.274 ( 0.118 -3.682 -6.360) 7.350 2.317 ( 1.000 -2.492 -6.231) 6.785 2.469 ( -1.191 -12.534 -0.669) 12.609 2.579 ( -0.655 -5.914 3.267) 6.788 2.740 ( 0.625 -0.272 1.639) 1.775 2.809 ( -0.744 4.657 -1.086) 4.840 2.853 ( 1.014 2.625 -0.217) 2.823 4.228 ( 0.849 -32.936 -12.837) 35.359 4.891 ( 0.325 -3.088 -7.184) 7.826 5.097 ( -0.344 -12.214 1.119) 12.270 5.445 ( 0.544 -14.531 -11.404) 18.480 5.781 ( 1.128 -18.349 7.307) 19.782 6.257 ( -1.247 1.095 11.978) 12.093 6.996 ( -0.302 -10.260 14.171) 17.497 7.194 ( -0.920 -6.023 12.545) 13.946 9.111 ( 0.320 -29.629 -0.109) 29.631 9.412 ( -0.134 -2.073 3.274) 3.877 10.025 ( 0.612 6.339 -6.876) 9.372 10.448 ( 0.459 6.037 -7.140) 9.362 10.533 ( -0.226 -0.027 1.685) 1.700 10.840 ( -0.700 0.732 2.540) 2.734 11.284 ( -0.323 10.232 4.821) 11.315 11.432 ( 0.268 13.118 -3.634) 13.614 11.952 ( -1.354 19.434 8.665) 21.321 13.215 ( 1.048 -7.440 -22.240) 23.475 13.655 ( -0.393 32.439 -10.918) 34.230 15.297 ( 1.632 20.011 -23.459) 30.877 16.888 ( -0.029 -12.709 25.304) 28.316 17.296 ( -1.199 1.144 14.515) 14.609 18.363 ( -0.108 -17.696 -1.993) 17.808 18.426 ( -0.361 -15.395 -0.870) 15.424 ======================= Grid point 250 (110/322) ======================= q-point: (-0.23 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.272 -6.513 -4.940) 8.180 1.659 ( 0.112 -3.855 -1.039) 3.994 1.958 ( -0.266 -14.220 5.477) 15.241 2.254 ( 0.653 0.821 -4.849) 4.961 2.303 ( -0.325 1.352 -4.727) 4.927 2.467 ( -0.429 -9.245 0.869) 9.295 2.490 ( -0.147 -9.611 1.794) 9.778 2.647 ( -0.956 0.052 -1.029) 1.405 2.696 ( -1.025 -5.587 0.061) 5.680 2.722 ( 0.323 -0.085 -0.077) 0.343 2.756 ( 0.658 -1.476 2.083) 2.636 2.823 ( 0.968 0.575 0.606) 1.279 4.783 ( 0.233 -20.903 -9.755) 23.069 4.981 ( 0.339 -6.872 -3.287) 7.625 5.351 ( -0.567 -12.239 6.312) 13.782 5.741 ( 0.169 -14.128 -12.774) 19.047 6.025 ( 1.448 -5.218 0.227) 5.420 6.167 ( -0.608 6.103 7.623) 9.784 7.176 ( -0.059 -7.327 11.986) 14.048 7.291 ( -1.147 -3.210 10.973) 11.490 9.513 ( -0.247 -7.394 4.165) 8.490 9.588 ( 0.241 -16.285 1.781) 16.383 9.940 ( 0.038 0.767 1.907) 2.056 10.276 ( 0.169 8.512 -1.812) 8.704 10.370 ( -0.569 14.132 8.967) 16.746 10.671 ( -1.078 15.746 11.331) 19.429 11.217 ( 0.112 -2.794 -2.177) 3.544 11.334 ( 0.007 -1.195 -1.161) 1.666 11.819 ( -0.270 -4.971 -2.307) 5.486 12.903 ( -1.369 27.325 -9.309) 28.900 13.604 ( 1.598 -16.337 -25.461) 30.294 14.871 ( 1.784 22.178 -26.803) 34.835 17.052 ( 0.033 -4.325 23.606) 23.999 17.247 ( -1.570 3.080 18.636) 18.954 18.641 ( 0.194 -10.103 -2.178) 10.337 18.667 ( -0.320 -8.838 -2.173) 9.107 ======================= Grid point 251 (111/322) ======================= q-point: (-0.15 -0.62 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.359 -1.798 -3.971) 4.373 1.716 ( 0.101 -1.633 -3.021) 3.435 2.187 ( 1.160 -3.686 -3.779) 5.405 2.261 ( 0.954 0.229 -3.264) 3.408 2.298 ( -2.149 -7.313 2.228) 7.941 2.481 ( -0.151 8.079 1.483) 8.215 2.612 ( -0.304 -2.927 1.091) 3.139 2.632 ( -0.111 -2.680 0.868) 2.820 2.738 ( 0.751 -0.502 -0.237) 0.934 2.760 ( -0.721 -0.549 -0.569) 1.070 2.820 ( -0.297 -2.699 0.662) 2.795 2.838 ( 0.713 -0.985 0.878) 1.500 5.041 ( -0.140 -7.677 -4.521) 8.910 5.120 ( 0.795 -2.331 -6.147) 6.623 5.598 ( -1.227 -13.445 13.393) 19.017 5.852 ( -0.733 8.369 10.455) 13.412 6.053 ( -0.159 -5.143 -11.242) 12.364 6.130 ( 2.255 0.491 -13.403) 13.600 7.287 ( -0.024 -3.462 10.791) 11.332 7.317 ( -1.245 0.221 10.048) 10.127 9.657 ( -0.265 -6.936 5.976) 9.159 9.757 ( -0.163 -0.154 3.899) 3.905 9.990 ( -0.473 -4.484 9.484) 10.501 10.113 ( -0.775 9.190 11.560) 14.788 10.193 ( -0.184 -1.587 1.435) 2.148 10.337 ( -0.591 14.342 8.370) 16.616 11.310 ( 0.374 -4.849 -2.419) 5.432 11.369 ( -0.155 -0.186 -2.592) 2.604 12.025 ( 1.141 -13.789 -5.099) 14.746 12.412 ( -1.370 20.401 -6.996) 21.611 13.985 ( 1.771 -20.740 -28.189) 35.041 14.421 ( 1.865 22.432 -28.576) 36.376 17.116 ( -0.250 -2.272 22.998) 23.111 17.186 ( -2.062 2.448 21.285) 21.525 18.775 ( 0.277 -3.310 -2.481) 4.146 18.780 ( -0.093 -2.736 -2.615) 3.785 ======================= Grid point 252 (112/322) ======================= q-point: (-0.08 0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 0.408 1.985 -2.864) 3.509 1.718 ( 0.041 1.537 -4.019) 4.303 2.172 ( -0.767 7.629 -1.687) 7.850 2.227 ( 0.860 0.266 -4.051) 4.150 2.331 ( 0.743 3.533 0.682) 3.675 2.495 ( -0.090 -8.174 2.107) 8.442 2.612 ( -0.377 3.080 0.884) 3.226 2.637 ( 0.209 1.750 1.393) 2.246 2.741 ( 0.735 0.676 -0.341) 1.056 2.757 ( -0.599 0.357 -0.313) 0.765 2.811 ( -0.026 2.847 0.495) 2.889 2.847 ( -0.502 0.895 0.390) 1.098 5.049 ( 0.665 7.914 -5.051) 9.412 5.110 ( -0.013 2.148 -5.298) 5.717 5.604 ( -0.532 13.392 13.278) 18.866 5.856 ( -0.577 -9.333 10.412) 13.995 6.034 ( 1.346 5.858 -11.258) 12.763 6.145 ( -0.310 -0.883 -13.465) 13.497 7.276 ( -1.080 3.560 10.009) 10.678 7.328 ( -0.295 -0.133 10.680) 10.685 9.658 ( -0.556 7.136 5.875) 9.260 9.753 ( -0.247 0.200 3.823) 3.836 9.991 ( -0.717 4.460 9.012) 10.081 10.116 ( -0.782 -9.435 12.370) 15.577 10.169 ( 0.206 1.710 1.272) 2.141 10.354 ( -0.597 -13.994 8.094) 16.177 11.315 ( -0.118 4.831 -2.509) 5.445 11.363 ( 0.483 0.303 -2.331) 2.400 12.059 ( -0.818 14.178 -5.570) 15.255 12.370 ( 2.670 -19.951 -5.744) 20.932 13.984 ( 1.848 20.803 -28.124) 35.031 14.420 ( 1.807 -22.276 -28.653) 36.338 17.145 ( -2.805 1.139 22.309) 22.513 17.174 ( -0.672 -3.001 21.843) 22.059 18.771 ( -0.057 3.315 -2.756) 4.311 18.784 ( 0.512 2.725 -2.146) 3.506 ======================= Grid point 259 (113/322) ======================= q-point: ( 0.46 0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 2.613 0.000 2.034) 3.311 0.631 ( -0.781 -0.000 14.595) 14.615 0.658 ( -0.427 -0.000 5.853) 5.868 0.945 ( -1.768 -0.000 37.837) 37.879 1.151 ( -1.109 -0.000 11.619) 11.672 1.357 ( 0.269 0.000 -0.425) 0.503 1.595 ( -0.405 -0.000 16.437) 16.442 1.604 ( -1.680 -0.000 25.823) 25.878 2.267 ( 1.516 0.000 -9.799) 9.916 2.536 ( -1.392 -0.000 4.596) 4.802 2.653 ( 0.326 0.000 -3.240) 3.256 2.979 ( 1.050 0.000 -1.335) 1.698 3.055 ( -1.540 -0.000 5.139) 5.365 3.226 ( -1.609 -0.000 17.174) 17.249 4.803 ( 0.245 0.000 -6.370) 6.375 5.160 ( 1.442 0.000 -21.733) 21.781 5.430 ( -1.279 -0.000 11.287) 11.359 5.694 ( 1.066 0.000 -15.865) 15.900 5.835 ( -0.779 -0.000 12.716) 12.740 6.625 ( 0.120 0.000 -1.772) 1.776 7.171 ( -2.357 -0.000 29.564) 29.658 9.722 ( 0.606 0.000 -16.960) 16.971 9.861 ( 1.224 0.000 -11.838) 11.901 10.410 ( 1.573 0.000 -5.750) 5.961 10.637 ( 0.507 0.000 1.509) 1.592 11.193 ( 0.472 0.000 -3.238) 3.273 11.717 ( -0.376 -0.000 5.307) 5.320 12.165 ( -1.517 -0.000 30.799) 30.836 13.774 ( 1.769 0.000 -28.541) 28.596 13.932 ( -7.945 -0.000 73.803) 74.229 14.913 ( -1.689 -0.000 27.007) 27.059 16.007 ( 0.569 0.000 -11.576) 11.590 16.147 ( 0.303 0.000 1.271) 1.307 16.570 ( -1.975 -0.000 -3.692) 4.187 16.683 ( 0.347 0.000 -5.091) 5.103 17.567 ( 2.699 0.000 -35.987) 36.088 ======================= Grid point 260 (114/322) ======================= q-point: (-0.46 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 0.127 -2.762 2.317) 3.608 0.837 ( -1.065 -18.703 10.900) 21.673 0.900 ( 0.675 -19.507 2.392) 19.664 1.059 ( -0.887 -15.686 18.454) 24.236 1.404 ( -0.089 -17.295 2.519) 17.478 1.483 ( -0.184 -10.615 -0.060) 10.617 1.632 ( -0.242 -4.321 15.016) 15.627 1.903 ( -0.247 -24.066 8.449) 25.508 2.289 ( 2.044 -1.492 -11.548) 11.822 2.612 ( -0.976 -3.766 6.571) 7.636 2.667 ( 0.648 -2.604 -4.502) 5.241 2.970 ( 1.126 1.254 -2.021) 2.631 3.058 ( -0.963 0.400 0.289) 1.082 3.434 ( -1.932 -24.300 33.504) 41.434 4.786 ( -0.062 0.791 -5.973) 6.026 5.036 ( 1.064 7.101 -15.300) 16.902 5.554 ( 0.850 8.592 -14.284) 16.691 5.638 ( -0.194 -14.058 5.930) 15.259 6.008 ( -0.717 -15.514 13.057) 20.291 6.967 ( -0.125 -28.900 -1.847) 28.959 7.150 ( -2.321 1.232 26.563) 26.693 9.699 ( 1.151 3.075 -11.437) 11.899 9.874 ( 1.351 -2.416 -13.396) 13.679 10.367 ( 0.826 2.696 -5.822) 6.469 10.605 ( -0.041 2.814 3.174) 4.242 11.003 ( 0.786 7.993 -4.416) 9.165 11.850 ( 0.955 0.474 0.863) 1.372 12.467 ( 0.064 -19.227 -0.676) 19.239 13.363 ( 0.933 33.265 -22.332) 40.077 14.399 ( -0.528 28.540 33.489) 44.004 14.506 ( -4.012 -41.226 62.028) 74.586 16.039 ( 0.903 5.095 -18.414) 19.127 16.265 ( 1.005 20.108 -9.065) 22.080 16.618 ( -0.244 -17.884 0.900) 17.909 16.799 ( -1.638 -24.023 -2.315) 24.190 17.531 ( 0.654 -0.591 -16.303) 16.326 ======================= Grid point 261 (115/322) ======================= q-point: (-0.38 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -1.578 -11.740 1.431) 11.932 1.211 ( -0.767 -15.491 6.164) 16.690 1.306 ( 0.570 -18.388 -0.579) 18.406 1.440 ( -0.413 -20.228 8.146) 21.811 1.662 ( -0.517 -8.171 10.873) 13.611 1.771 ( 0.529 -18.517 -1.391) 18.576 1.844 ( -0.603 -15.349 1.086) 15.400 2.271 ( 2.238 -3.551 -10.877) 11.658 2.440 ( -0.305 -12.290 -3.800) 12.867 2.700 ( 0.179 -5.607 5.130) 7.602 2.756 ( 1.031 -12.352 -11.651) 17.011 2.944 ( 1.362 1.335 -2.177) 2.894 3.043 ( -0.661 -1.932 -3.373) 3.943 4.142 ( -1.097 -40.386 36.998) 54.783 4.802 ( -0.325 -3.347 -6.595) 7.403 4.951 ( 1.127 0.909 -11.684) 11.774 5.403 ( 1.319 4.698 -11.462) 12.457 5.945 ( -0.277 -14.618 5.700) 15.692 6.380 ( -0.793 -19.796 14.778) 24.716 7.101 ( -2.324 1.634 23.986) 24.154 7.669 ( -0.060 -37.845 -3.527) 38.009 9.590 ( 1.116 7.339 -4.336) 8.597 9.986 ( 1.434 -7.639 -14.443) 16.401 10.358 ( 0.473 -1.785 -9.808) 9.980 10.541 ( -0.300 3.182 2.033) 3.788 10.898 ( 0.689 3.805 -7.550) 8.482 11.749 ( 0.098 8.787 9.399) 12.867 12.563 ( 0.538 28.004 -23.886) 36.811 12.721 ( 1.194 7.936 -13.656) 15.840 13.589 ( -1.550 38.979 21.841) 44.708 15.380 ( -6.841 42.522 -16.999) 46.302 15.666 ( 9.133 -48.268 44.722) 66.433 15.950 ( 1.060 11.968 -13.980) 18.434 17.069 ( -0.456 -17.869 3.384) 18.192 17.369 ( -0.876 -29.897 -2.038) 29.980 17.678 ( -0.806 -14.865 -0.070) 14.887 ======================= Grid point 262 (116/322) ======================= q-point: (-0.31 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -1.646 -17.668 -0.357) 17.748 1.435 ( -0.793 -8.077 4.743) 9.400 1.569 ( 0.231 -8.161 3.324) 8.815 1.847 ( -0.192 -19.650 3.267) 19.920 1.911 ( -0.650 -16.164 7.072) 17.656 2.118 ( 1.325 -13.880 -4.254) 14.578 2.148 ( -1.278 -14.994 -3.566) 15.465 2.311 ( 1.868 -1.576 -7.992) 8.358 2.513 ( -1.129 -1.038 2.277) 2.746 2.736 ( 0.684 -0.576 2.070) 2.255 2.874 ( 0.003 2.055 -2.201) 3.012 2.919 ( 0.502 2.992 -1.002) 3.195 3.512 ( 1.325 -36.839 -16.681) 40.461 4.767 ( 0.428 -14.324 1.587) 14.418 4.911 ( -0.445 -5.743 -3.830) 6.917 5.107 ( 0.320 -20.033 5.192) 20.697 5.432 ( 2.114 -9.913 -3.689) 10.787 6.183 ( -0.750 -8.255 8.479) 11.857 6.745 ( -0.890 -15.565 16.232) 22.506 7.098 ( -1.495 -2.397 16.939) 17.173 8.432 ( -0.005 -37.118 -1.617) 37.153 9.452 ( 0.392 5.504 -0.063) 5.519 10.104 ( 1.186 -1.109 -12.399) 12.505 10.422 ( 0.534 -4.656 -11.859) 12.751 10.511 ( -0.246 -0.670 0.814) 1.082 10.839 ( -0.096 1.632 -4.539) 4.824 11.527 ( -0.471 12.698 11.815) 17.350 11.888 ( 0.440 30.447 -13.429) 33.280 12.475 ( -0.764 26.331 3.980) 26.641 13.110 ( 0.373 3.529 -7.300) 8.117 14.445 ( -2.415 44.188 -13.601) 46.297 15.664 ( 1.329 16.434 -19.284) 25.371 16.498 ( 4.097 -28.740 31.052) 42.509 17.271 ( -0.962 -4.263 9.120) 10.113 17.928 ( -0.401 -25.359 -2.063) 25.446 18.058 ( -0.700 -20.406 0.845) 20.435 ======================= Grid point 263 (117/322) ======================= q-point: (-0.23 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -0.492 -15.915 -3.755) 16.360 1.565 ( -0.541 -5.493 1.929) 5.847 1.719 ( -0.677 -8.511 7.023) 11.056 2.198 ( 0.091 -13.883 0.114) 13.884 2.232 ( -0.207 -14.477 3.027) 14.792 2.272 ( 0.285 -3.486 -6.479) 7.363 2.321 ( 0.854 -1.352 -6.596) 6.787 2.460 ( -0.845 -12.752 -0.611) 12.795 2.576 ( -0.589 -6.004 2.942) 6.712 2.747 ( 0.709 -0.237 1.533) 1.705 2.804 ( -0.266 4.618 -1.003) 4.733 2.860 ( 0.842 2.530 -0.162) 2.671 4.228 ( 0.675 -32.806 -12.954) 35.278 4.889 ( 0.246 -3.051 -7.086) 7.719 5.096 ( -0.161 -12.377 1.163) 12.432 5.445 ( 0.681 -14.362 -11.054) 18.136 5.797 ( 1.941 -18.054 6.922) 19.433 6.253 ( -1.116 1.083 11.926) 12.027 7.000 ( -0.516 -10.412 14.336) 17.726 7.193 ( -1.114 -5.969 12.487) 13.885 9.113 ( 0.191 -29.693 0.081) 29.694 9.413 ( -0.197 -2.049 3.303) 3.892 10.026 ( 0.584 6.365 -6.896) 9.402 10.448 ( 0.413 5.924 -7.212) 9.342 10.531 ( -0.277 -0.002 1.574) 1.598 10.836 ( -0.605 0.695 2.360) 2.533 11.284 ( -0.241 10.380 4.906) 11.484 11.432 ( 0.215 12.894 -3.652) 13.403 11.945 ( -1.400 19.495 8.622) 21.362 13.211 ( 0.877 -6.923 -22.081) 23.157 13.641 ( -1.801 31.749 -10.967) 33.638 15.297 ( 1.541 20.016 -23.485) 30.896 16.910 ( 2.236 -11.962 25.118) 27.911 17.293 ( -1.299 1.139 14.602) 14.704 18.362 ( -0.031 -17.811 -1.998) 17.923 18.422 ( -0.515 -15.417 -0.929) 15.454 ======================= Grid point 264 (118/322) ======================= q-point: (-0.15 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.427 -6.540 -4.810) 8.130 1.659 ( -0.139 -3.932 -1.097) 4.084 1.956 ( -0.881 -14.615 5.875) 15.776 2.257 ( 0.718 1.052 -4.606) 4.779 2.298 ( -0.190 1.544 -5.145) 5.375 2.465 ( -0.408 -9.197 0.922) 9.252 2.490 ( -0.213 -9.708 1.723) 9.862 2.641 ( -0.300 0.089 -1.012) 1.059 2.687 ( -1.089 -5.341 -0.022) 5.450 2.724 ( 0.332 -0.766 -0.333) 0.899 2.762 ( 0.662 -1.058 2.064) 2.412 2.831 ( 0.890 0.526 0.706) 1.252 4.780 ( 0.192 -20.776 -9.902) 23.016 4.982 ( 0.350 -7.128 -3.250) 7.842 5.350 ( -0.515 -12.104 6.467) 13.733 5.735 ( 0.122 -13.912 -12.454) 18.672 6.037 ( 1.678 -4.792 0.291) 5.086 6.166 ( -0.440 5.726 6.958) 9.021 7.182 ( -0.221 -7.349 12.387) 14.404 7.288 ( -1.133 -3.152 10.773) 11.282 9.513 ( -0.270 -7.508 4.119) 8.568 9.591 ( 0.160 -16.187 2.001) 16.311 9.941 ( 0.023 0.760 1.830) 1.981 10.276 ( -0.136 8.537 -1.638) 8.693 10.370 ( -0.436 14.100 8.738) 16.594 10.669 ( -0.920 15.659 11.276) 19.319 11.217 ( 0.198 -2.888 -2.197) 3.634 11.333 ( -0.154 -1.015 -0.935) 1.388 11.817 ( 0.080 -5.384 -2.533) 5.950 12.883 ( -2.269 27.188 -9.212) 28.796 13.604 ( 1.552 -16.380 -25.426) 30.285 14.871 ( 1.723 22.179 -26.846) 34.865 17.068 ( 1.008 -3.884 23.461) 23.801 17.244 ( -1.653 3.146 18.737) 19.071 18.641 ( 0.189 -10.174 -2.183) 10.407 18.663 ( -0.332 -8.878 -2.173) 9.146 ======================= Grid point 265 (119/322) ======================= q-point: (-0.08 -0.54 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 0.347 -1.876 -3.759) 4.215 1.715 ( 0.094 -1.557 -3.195) 3.556 2.194 ( 1.129 -3.188 -3.935) 5.189 2.264 ( 0.054 1.568 -4.627) 4.886 2.284 ( -1.446 -9.171 3.939) 10.086 2.482 ( 0.047 7.722 1.346) 7.839 2.611 ( -0.087 -2.781 1.037) 2.969 2.632 ( -0.189 -2.867 0.858) 2.998 2.744 ( 0.814 -0.752 -0.261) 1.139 2.754 ( -0.774 -0.440 -0.502) 1.022 2.818 ( -0.236 -2.563 0.703) 2.668 2.844 ( 0.582 -0.695 0.796) 1.206 5.038 ( -0.016 -7.742 -4.784) 9.101 5.122 ( 0.689 -2.293 -5.947) 6.411 5.596 ( -1.126 -13.478 13.462) 19.082 5.852 ( -0.657 7.972 10.097) 12.881 6.046 ( -0.175 -4.713 -10.542) 11.549 6.140 ( 2.148 0.632 -13.857) 14.037 7.292 ( -0.247 -3.509 11.194) 11.734 7.313 ( -1.024 0.310 9.726) 9.785 9.658 ( -0.237 -6.925 5.917) 9.112 9.758 ( -0.239 -0.042 3.996) 4.004 9.991 ( -0.459 -4.494 9.395) 10.424 10.113 ( -0.743 9.292 11.824) 15.057 10.191 ( -0.501 -1.622 1.211) 2.085 10.338 ( -0.357 14.232 8.410) 16.535 11.312 ( 0.434 -4.902 -2.480) 5.511 11.366 ( -0.217 -0.198 -2.482) 2.499 12.034 ( 1.609 -14.196 -5.265) 15.226 12.395 ( -1.908 19.984 -6.846) 21.210 13.985 ( 1.754 -20.747 -28.146) 35.010 14.421 ( 1.846 22.425 -28.620) 36.406 17.127 ( 0.133 -1.944 22.862) 22.945 17.180 ( -2.227 2.631 21.403) 21.679 18.774 ( 0.047 -3.032 -2.726) 4.077 18.779 ( 0.143 -3.124 -2.362) 3.919 ======================= Grid point 273 (120/322) ======================= q-point: (-0.46 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -1.892 -0.000 2.132) 2.851 0.619 ( -3.201 -0.000 13.088) 13.474 0.669 ( 1.675 0.000 7.364) 7.553 0.949 ( -2.089 -0.000 37.679) 37.737 1.150 ( -0.532 -0.000 11.664) 11.676 1.356 ( -0.317 -0.000 -0.462) 0.560 1.600 ( -0.346 -0.000 16.407) 16.410 1.605 ( -1.491 -0.000 25.826) 25.869 2.279 ( 2.682 0.000 -9.860) 10.219 2.533 ( -0.097 -0.000 5.616) 5.617 2.652 ( 0.099 0.000 -3.865) 3.866 2.988 ( 1.452 0.000 -1.358) 1.988 3.047 ( -1.180 -0.000 5.288) 5.418 3.229 ( 0.051 0.000 17.476) 17.476 4.801 ( 0.056 0.000 -6.206) 6.207 5.161 ( 1.449 0.000 -21.715) 21.764 5.429 ( -0.425 -0.000 10.858) 10.866 5.693 ( 0.739 0.000 -15.660) 15.677 5.836 ( -0.752 -0.000 12.732) 12.754 6.625 ( 0.100 0.000 -1.775) 1.778 7.165 ( -2.858 -0.000 29.309) 29.448 9.719 ( 0.977 0.000 -16.504) 16.533 9.870 ( 2.437 0.000 -11.610) 11.864 10.417 ( 0.745 0.000 -5.600) 5.650 10.642 ( 0.424 0.000 1.448) 1.509 11.201 ( 2.045 0.000 -3.080) 3.697 11.717 ( -0.373 -0.000 5.295) 5.308 12.170 ( -1.100 -0.000 30.899) 30.918 13.774 ( 1.802 0.000 -28.532) 28.588 13.937 ( -0.204 -0.000 74.665) 74.665 14.913 ( -1.688 -0.000 26.997) 27.049 16.006 ( 0.845 0.000 -11.298) 11.329 16.150 ( 0.163 0.000 1.250) 1.261 16.553 ( -1.751 -0.000 -4.461) 4.792 16.683 ( 0.376 0.000 -5.079) 5.093 17.564 ( 0.925 0.000 -36.146) 36.158 ======================= Grid point 274 (121/322) ======================= q-point: (-0.38 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( -3.759 -2.787 2.634) 5.370 0.830 ( -1.929 -19.102 10.031) 21.662 0.909 ( 1.139 -19.138 2.957) 19.398 1.063 ( -0.628 -15.640 18.993) 24.612 1.406 ( 0.304 -17.346 2.556) 17.536 1.481 ( -0.308 -10.737 -0.091) 10.742 1.636 ( -0.612 -4.100 14.795) 15.365 1.906 ( -0.149 -24.226 8.073) 25.536 2.303 ( 2.888 -1.291 -11.564) 11.988 2.607 ( -1.096 -3.401 6.335) 7.273 2.671 ( 1.001 -2.924 -4.231) 5.239 2.980 ( 1.528 1.344 -1.993) 2.849 3.051 ( -0.878 0.370 0.401) 1.033 3.446 ( 0.735 -24.377 34.115) 41.936 4.782 ( -0.194 0.910 -5.908) 5.981 5.039 ( 1.456 7.009 -15.280) 16.874 5.551 ( 0.397 7.894 -14.247) 16.292 5.642 ( 0.403 -13.522 6.016) 14.805 6.008 ( -0.768 -15.530 13.034) 20.290 6.965 ( -0.256 -28.729 -1.653) 28.777 7.143 ( -3.044 1.155 25.952) 26.155 9.704 ( 1.490 2.683 -11.229) 11.641 9.882 ( 2.386 -2.002 -13.042) 13.408 10.368 ( 0.179 2.841 -5.866) 6.521 10.606 ( -0.039 2.981 3.130) 4.323 11.009 ( 1.103 8.215 -4.421) 9.394 11.858 ( 0.881 0.485 0.884) 1.339 12.470 ( 0.927 -18.869 -1.127) 18.926 13.360 ( 1.102 33.344 -22.191) 40.068 14.410 ( -1.080 37.770 26.564) 46.189 14.542 ( 5.375 -50.287 68.745) 85.343 16.039 ( 1.414 5.248 -18.037) 18.839 16.269 ( 0.997 19.954 -8.769) 21.818 16.616 ( -0.143 -17.829 0.822) 17.849 16.786 ( -1.328 -24.438 -2.559) 24.608 17.520 ( -1.404 -0.746 -16.177) 16.255 ======================= Grid point 275 (122/322) ======================= q-point: (-0.31 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -3.958 -12.145 1.802) 12.900 1.205 ( -1.568 -15.621 5.988) 16.803 1.312 ( 0.944 -18.327 -0.154) 18.352 1.442 ( -0.082 -20.048 8.308) 21.701 1.662 ( -0.774 -8.039 10.553) 13.288 1.774 ( 0.482 -18.588 -0.966) 18.620 1.840 ( -0.473 -15.047 0.593) 15.067 2.285 ( 2.607 -3.750 -10.498) 11.448 2.437 ( -0.094 -11.222 -3.959) 11.900 2.704 ( 0.142 -6.741 4.939) 8.358 2.757 ( 0.572 -11.658 -11.632) 16.478 2.954 ( 1.549 1.278 -2.157) 2.947 3.037 ( -0.414 -2.131 -3.599) 4.203 4.161 ( 1.227 -39.906 37.052) 54.469 4.796 ( -0.253 -3.363 -6.679) 7.482 4.956 ( 1.435 0.964 -11.401) 11.531 5.407 ( 1.231 4.302 -11.236) 12.094 5.947 ( -0.053 -14.468 5.954) 15.645 6.380 ( -0.989 -19.804 14.682) 24.673 7.093 ( -2.687 1.447 23.454) 23.652 7.665 ( -0.624 -37.969 -3.289) 38.116 9.598 ( 1.463 7.530 -4.318) 8.803 9.991 ( 1.855 -7.492 -14.316) 16.264 10.356 ( 0.234 -1.786 -10.031) 10.192 10.540 ( -0.260 3.286 1.986) 3.848 10.900 ( 0.567 4.037 -7.759) 8.765 11.754 ( -0.091 8.931 9.546) 13.072 12.557 ( 0.973 28.054 -23.870) 36.848 12.724 ( 1.204 8.089 -13.720) 15.972 13.587 ( -1.737 39.001 21.682) 44.657 15.294 ( -11.417 31.273 -10.352) 34.864 15.807 ( 19.355 -34.846 37.044) 54.417 15.951 ( 1.216 11.877 -13.755) 18.214 17.066 ( -0.553 -17.770 3.502) 18.121 17.362 ( -0.597 -30.038 -2.049) 30.114 17.668 ( -1.844 -15.312 0.046) 15.423 ======================= Grid point 276 (123/322) ======================= q-point: (-0.23 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -2.679 -18.258 0.082) 18.454 1.429 ( -1.420 -8.229 4.841) 9.653 1.574 ( 0.558 -7.861 3.330) 8.556 1.848 ( -0.093 -19.572 3.292) 19.847 1.908 ( -0.945 -16.232 6.927) 17.674 2.125 ( 0.905 -12.445 -5.215) 13.524 2.137 ( -0.709 -16.468 -2.342) 16.648 2.322 ( 2.047 -1.056 -8.129) 8.449 2.505 ( -0.988 -1.189 2.038) 2.558 2.743 ( 0.806 -0.572 2.034) 2.262 2.874 ( 0.331 2.101 -2.152) 3.026 2.921 ( 0.279 2.963 -0.983) 3.134 3.513 ( 1.087 -36.750 -16.828) 40.434 4.773 ( 0.924 -13.427 0.957) 13.493 4.906 ( -0.330 -5.764 -3.818) 6.921 5.116 ( 1.205 -19.747 5.000) 20.406 5.448 ( 2.155 -10.658 -2.632) 11.188 6.182 ( -0.555 -8.093 8.708) 11.901 6.745 ( -1.176 -15.644 16.070) 22.458 7.094 ( -1.755 -2.627 16.610) 16.908 8.430 ( -0.316 -37.361 -1.328) 37.386 9.456 ( 0.449 5.781 -0.131) 5.800 10.107 ( 1.196 -0.920 -12.366) 12.457 10.420 ( 0.519 -4.663 -12.126) 13.003 10.510 ( -0.174 -0.786 0.901) 1.208 10.836 ( -0.208 1.757 -4.847) 5.160 11.529 ( -0.510 12.769 11.913) 17.470 11.886 ( 0.593 30.357 -13.476) 33.219 12.470 ( -0.806 26.564 4.084) 26.888 13.110 ( 0.407 3.494 -7.333) 8.132 14.410 ( -4.671 43.038 -13.172) 45.250 15.665 ( 1.209 16.428 -19.327) 25.394 16.564 ( 8.324 -25.935 30.135) 40.620 17.267 ( -1.163 -4.311 9.333) 10.346 17.925 ( -0.161 -25.472 -1.984) 25.550 18.052 ( -0.969 -20.579 0.803) 20.618 ======================= Grid point 277 (124/322) ======================= q-point: (-0.15 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -0.714 -16.613 -3.341) 16.961 1.560 ( -1.012 -5.679 2.124) 6.147 1.717 ( -0.687 -8.080 6.852) 10.616 2.199 ( 0.096 -14.295 0.515) 14.305 2.232 ( -0.367 -14.770 3.030) 15.082 2.272 ( 0.349 -3.176 -6.584) 7.318 2.324 ( 0.711 -0.490 -6.838) 6.892 2.455 ( -0.335 -12.861 -0.488) 12.874 2.573 ( -0.405 -6.078 2.635) 6.637 2.752 ( 0.494 0.010 1.106) 1.211 2.804 ( 0.332 4.464 -0.648) 4.523 2.866 ( 0.584 2.389 -0.211) 2.468 4.226 ( 0.539 -32.726 -13.038) 35.232 4.888 ( 0.230 -3.040 -6.991) 7.627 5.096 ( 0.039 -12.466 1.230) 12.527 5.445 ( 0.823 -14.012 -10.995) 17.830 5.817 ( 2.217 -17.751 6.667) 19.091 6.251 ( -0.910 1.108 11.991) 12.076 7.002 ( -0.814 -10.610 14.429) 17.928 7.190 ( -1.237 -5.974 12.321) 13.749 9.114 ( 0.039 -29.804 0.284) 29.805 9.412 ( -0.256 -2.011 3.306) 3.878 10.027 ( 0.518 6.385 -6.923) 9.432 10.447 ( 0.368 5.957 -7.155) 9.317 10.530 ( -0.280 -0.083 1.324) 1.356 10.833 ( -0.408 0.598 2.153) 2.271 11.285 ( -0.181 10.517 4.952) 11.626 11.431 ( 0.160 12.746 -3.505) 13.220 11.939 ( -1.258 19.466 8.595) 21.316 13.206 ( 0.760 -6.096 -21.813) 22.661 13.617 ( -2.586 30.546 -10.894) 32.533 15.297 ( 1.448 20.010 -23.542) 30.931 16.946 ( 3.643 -10.680 24.708) 27.163 17.290 ( -1.340 1.108 14.777) 14.879 18.361 ( 0.082 -17.876 -1.929) 17.979 18.417 ( -0.547 -15.481 -0.934) 15.519 ======================= Grid point 278 (125/322) ======================= q-point: (-0.08 -0.46 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.631 ( 0.564 -6.518 -4.597) 7.996 1.656 ( -0.368 -4.144 -1.191) 4.327 1.950 ( -1.345 -14.902 6.194) 16.194 2.260 ( 0.525 1.417 -4.437) 4.688 2.295 ( 0.191 1.484 -5.408) 5.611 2.462 ( -0.312 -9.136 0.989) 9.194 2.489 ( -0.240 -9.821 1.644) 9.961 2.641 ( 0.343 0.130 -0.906) 0.978 2.679 ( -0.960 -5.131 -0.026) 5.220 2.727 ( 0.284 -1.372 -0.483) 1.482 2.768 ( 0.585 -0.580 1.949) 2.116 2.837 ( 0.640 0.455 0.671) 1.033 4.776 ( 0.254 -20.714 -10.013) 23.009 4.983 ( 0.336 -7.341 -3.182) 8.009 5.349 ( -0.427 -11.964 6.588) 13.665 5.730 ( 0.215 -13.735 -12.351) 18.472 6.050 ( 1.507 -4.113 0.750) 4.444 6.167 ( -0.251 5.272 6.115) 8.077 7.185 ( -0.524 -7.394 12.681) 14.689 7.285 ( -1.009 -3.170 10.588) 11.098 9.513 ( -0.285 -7.612 4.082) 8.642 9.592 ( 0.023 -16.134 2.166) 16.279 9.942 ( -0.028 0.738 1.734) 1.885 10.273 ( -0.385 8.621 -1.542) 8.767 10.372 ( -0.344 14.064 8.625) 16.502 10.668 ( -0.713 15.575 11.182) 19.186 11.218 ( 0.273 -2.972 -2.200) 3.708 11.331 ( -0.263 -0.865 -0.664) 1.121 11.818 ( 0.445 -5.849 -2.728) 6.470 12.859 ( -2.546 27.019 -8.928) 28.569 13.603 ( 1.528 -16.443 -25.386) 30.284 14.871 ( 1.664 22.164 -26.902) 34.896 17.090 ( 1.407 -3.273 23.217) 23.488 17.240 ( -1.635 3.237 18.893) 19.238 18.641 ( 0.188 -10.208 -2.173) 10.439 18.660 ( -0.253 -8.940 -2.120) 9.191 ======================= Grid point 287 (126/322) ======================= q-point: (-0.38 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -6.016 -0.000 3.022) 6.732 0.599 ( -3.425 -0.000 13.395) 13.826 0.686 ( 1.615 0.000 7.232) 7.411 0.950 ( -2.575 -0.000 37.817) 37.905 1.154 ( 0.027 0.000 11.710) 11.710 1.351 ( -0.858 -0.000 -0.330) 0.919 1.605 ( -0.520 -0.000 15.918) 15.926 1.607 ( -1.334 -0.000 25.632) 25.667 2.298 ( 3.514 0.000 -10.076) 10.671 2.539 ( 0.781 0.000 6.592) 6.638 2.651 ( 0.238 0.000 -4.693) 4.699 2.999 ( 1.433 0.000 -0.762) 1.623 3.042 ( -0.371 -0.000 4.327) 4.343 3.245 ( 1.738 0.000 19.332) 19.409 4.798 ( -0.011 -0.000 -6.001) 6.001 5.161 ( 1.442 0.000 -21.707) 21.755 5.434 ( 0.228 0.000 10.374) 10.377 5.690 ( 0.487 0.000 -15.250) 15.258 5.836 ( -0.739 -0.000 12.745) 12.766 6.625 ( 0.083 0.000 -1.778) 1.780 7.156 ( -3.271 -0.000 28.500) 28.687 9.721 ( 1.430 0.000 -15.955) 16.019 9.887 ( 3.406 0.000 -11.228) 11.733 10.416 ( -0.106 -0.000 -5.682) 5.683 10.645 ( 0.146 0.000 1.243) 1.252 11.222 ( 3.541 0.000 -3.545) 5.010 11.717 ( -0.362 -0.000 5.288) 5.300 12.179 ( -0.760 -0.000 30.871) 30.880 13.774 ( 1.840 0.000 -28.519) 28.578 14.009 ( 9.195 0.000 78.292) 78.830 14.913 ( -1.697 -0.000 26.982) 27.035 16.009 ( 1.153 0.000 -10.655) 10.717 16.151 ( 0.118 0.000 1.251) 1.256 16.539 ( -1.112 -0.000 -4.640) 4.771 16.684 ( 0.394 0.000 -5.072) 5.087 17.543 ( -1.551 -0.000 -36.833) 36.865 ======================= Grid point 288 (127/322) ======================= q-point: (-0.31 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -7.104 -3.220 3.509) 8.553 0.819 ( -2.233 -19.384 9.935) 21.896 0.919 ( 0.965 -18.752 3.099) 19.030 1.068 ( -0.440 -15.827 19.385) 25.029 1.411 ( 0.671 -17.209 2.507) 17.404 1.478 ( -0.415 -11.216 0.023) 11.223 1.637 ( -1.061 -3.813 14.393) 14.927 1.909 ( -0.106 -24.271 7.133) 25.297 2.322 ( 3.385 -1.031 -11.541) 12.072 2.600 ( -1.421 -2.648 4.999) 5.832 2.679 ( 1.395 -3.171 -3.256) 4.755 2.992 ( 1.610 1.365 -1.761) 2.749 3.045 ( -0.528 0.495 0.167) 0.743 3.480 ( 3.355 -24.703 35.291) 43.208 4.778 ( -0.121 1.009 -5.787) 5.875 5.043 ( 1.688 6.849 -15.318) 16.864 5.545 ( -0.087 7.023 -14.065) 15.721 5.651 ( 0.850 -12.771 6.327) 14.278 6.009 ( -0.834 -15.494 12.996) 20.240 6.961 ( -0.362 -28.725 -1.823) 28.785 7.129 ( -3.638 1.403 25.366) 25.664 9.711 ( 1.733 2.281 -11.064) 11.429 9.898 ( 3.217 -1.443 -12.776) 13.254 10.364 ( -0.424 2.818 -6.063) 6.699 10.607 ( -0.076 3.063 2.882) 4.206 11.016 ( 1.253 8.706 -4.433) 9.850 11.864 ( 0.588 0.600 0.785) 1.150 12.480 ( 1.743 -18.293 -2.362) 18.527 13.359 ( 1.360 33.504 -22.236) 40.235 14.410 ( -1.831 39.366 24.124) 46.206 14.662 ( 16.256 -50.001 69.100) 86.828 16.043 ( 1.847 4.792 -16.485) 17.266 16.272 ( 0.970 19.640 -8.188) 21.301 16.616 ( 0.040 -17.911 0.843) 17.931 16.777 ( -0.743 -24.705 -2.363) 24.829 17.491 ( -4.023 -1.302 -15.620) 16.182 ======================= Grid point 289 (128/322) ======================= q-point: (-0.23 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -5.653 -13.053 2.637) 14.467 1.194 ( -1.962 -15.680 6.049) 16.920 1.320 ( 0.920 -18.470 0.071) 18.493 1.447 ( 0.191 -19.795 8.435) 21.518 1.661 ( -0.987 -7.785 10.220) 12.885 1.777 ( 0.280 -18.284 -0.230) 18.288 1.837 ( -0.171 -15.177 -0.296) 15.181 2.300 ( 2.532 -4.139 -9.933) 11.055 2.435 ( 0.243 -9.963 -4.397) 10.893 2.706 ( -0.181 -9.251 3.679) 9.958 2.754 ( 0.281 -9.705 -10.736) 14.475 2.965 ( 1.261 1.571 -1.890) 2.762 3.034 ( 0.134 -2.524 -4.048) 4.773 4.197 ( 2.991 -38.999 36.817) 53.716 4.792 ( -0.002 -3.405 -6.642) 7.464 4.962 ( 1.571 0.995 -11.063) 11.218 5.411 ( 0.968 3.820 -10.935) 11.623 5.950 ( 0.109 -14.288 6.345) 15.634 6.379 ( -1.176 -19.762 14.562) 24.576 7.082 ( -2.868 1.254 22.548) 22.765 7.657 ( -1.009 -38.143 -2.823) 38.260 9.608 ( 1.597 7.771 -4.499) 9.120 10.000 ( 2.107 -7.164 -14.309) 16.140 10.352 ( 0.063 -1.908 -10.261) 10.437 10.539 ( -0.201 3.379 1.912) 3.888 10.900 ( 0.426 4.311 -8.057) 9.148 11.757 ( -0.393 8.997 9.485) 13.079 12.555 ( 1.538 28.449 -23.711) 37.066 12.726 ( 1.153 8.021 -13.834) 16.032 13.584 ( -1.862 38.970 21.522) 44.558 15.203 ( -10.145 29.935 -9.961) 33.140 15.948 ( 2.388 9.858 -10.643) 14.702 15.999 ( 21.585 -27.455 31.615) 47.108 17.063 ( -0.722 -17.494 3.824) 17.922 17.358 ( -0.183 -30.144 -1.805) 30.199 17.650 ( -2.758 -16.271 0.371) 16.508 ======================= Grid point 290 (129/322) ======================= q-point: (-0.15 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( -3.159 -19.094 0.848) 19.373 1.419 ( -1.716 -8.379 4.899) 9.857 1.580 ( 0.657 -7.518 3.258) 8.220 1.849 ( 0.015 -19.440 3.357) 19.728 1.903 ( -1.136 -16.382 6.719) 17.743 2.120 ( -1.067 -13.181 -4.684) 14.029 2.141 ( 1.483 -15.735 -2.633) 16.023 2.334 ( 1.859 -0.575 -8.043) 8.275 2.500 ( -0.690 -1.359 1.678) 2.267 2.750 ( 0.700 -0.530 1.857) 2.054 2.877 ( 0.648 2.056 -2.029) 2.961 2.922 ( 0.019 2.876 -1.018) 3.051 3.512 ( 0.852 -36.643 -16.948) 40.382 4.782 ( 1.166 -12.093 -0.122) 12.150 4.903 ( -0.069 -5.873 -3.652) 6.916 5.130 ( 1.766 -19.394 4.760) 20.047 5.463 ( 1.786 -11.562 -1.356) 11.777 6.183 ( -0.356 -7.953 9.027) 12.036 6.743 ( -1.437 -15.700 15.879) 22.376 7.088 ( -1.874 -2.863 16.084) 16.444 8.426 ( -0.517 -37.650 -0.985) 37.667 9.459 ( 0.422 6.099 -0.285) 6.121 10.110 ( 1.113 -0.679 -12.390) 12.459 10.418 ( 0.547 -4.722 -12.255) 13.145 10.509 ( -0.077 -0.850 0.916) 1.252 10.831 ( -0.205 1.795 -5.181) 5.487 11.531 ( -0.604 12.760 11.902) 17.460 11.884 ( 0.810 30.357 -13.401) 33.194 12.466 ( -0.735 26.806 4.281) 27.156 13.109 ( 0.446 3.422 -7.407) 8.171 14.362 ( -5.547 41.580 -12.556) 43.787 15.664 ( 1.117 16.424 -19.402) 25.445 16.654 ( 10.266 -22.149 28.767) 37.730 17.262 ( -1.367 -4.437 9.672) 10.729 17.924 ( 0.135 -25.517 -1.761) 25.578 18.044 ( -1.044 -20.853 0.820) 20.895 ======================= Grid point 291 (130/322) ======================= q-point: (-0.08 -0.38 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -0.785 -17.453 -2.689) 17.676 1.552 ( -1.243 -5.844 2.254) 6.385 1.715 ( -0.606 -7.542 6.541) 10.002 2.200 ( 0.084 -14.659 0.914) 14.688 2.230 ( -0.472 -14.939 2.902) 15.226 2.271 ( 0.290 -2.961 -6.576) 7.218 2.325 ( 0.610 -0.036 -6.977) 7.004 2.455 ( 0.236 -12.767 -0.298) 12.773 2.572 ( -0.222 -6.140 2.367) 6.585 2.755 ( 0.223 0.411 0.539) 0.714 2.808 ( 0.754 4.200 -0.191) 4.271 2.869 ( 0.297 2.251 -0.324) 2.294 4.223 ( 0.471 -32.711 -13.069) 35.228 4.886 ( 0.274 -3.057 -6.917) 7.567 5.098 ( 0.214 -12.467 1.299) 12.536 5.446 ( 0.913 -13.578 -11.186) 17.616 5.837 ( 1.930 -17.481 6.543) 18.765 6.251 ( -0.676 1.166 12.167) 12.242 7.001 ( -1.151 -10.809 14.425) 18.062 7.186 ( -1.254 -6.043 12.082) 13.566 9.114 ( -0.115 -29.934 0.447) 29.937 9.412 ( -0.301 -1.965 3.283) 3.838 10.027 ( 0.432 6.396 -6.950) 9.455 10.446 ( 0.328 6.137 -6.977) 9.298 10.528 ( -0.229 -0.263 0.984) 1.044 10.832 ( -0.147 0.466 1.966) 2.026 11.286 ( -0.150 10.612 4.942) 11.707 11.431 ( 0.112 12.706 -3.216) 13.107 11.934 ( -0.959 19.352 8.590) 21.195 13.201 ( 0.747 -5.065 -21.467) 22.069 13.591 ( -2.582 29.029 -10.746) 31.062 15.296 ( 1.371 19.998 -23.616) 30.976 16.989 ( 3.880 -9.142 24.163) 26.124 17.287 ( -1.327 1.039 15.003) 15.097 18.361 ( 0.205 -17.878 -1.802) 17.970 18.413 ( -0.444 -15.571 -0.881) 15.602 ======================= Grid point 301 (131/322) ======================= q-point: (-0.31 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -9.307 -0.000 4.458) 10.320 0.580 ( -3.258 -0.000 14.296) 14.662 0.701 ( 1.265 0.000 6.647) 6.766 0.947 ( -3.097 -0.000 38.459) 38.584 1.162 ( 0.489 0.000 11.775) 11.785 1.343 ( -1.275 -0.000 -0.116) 1.280 1.608 ( -0.927 -0.000 15.090) 15.119 1.610 ( -1.249 -0.000 25.311) 25.342 2.323 ( 3.870 0.000 -10.430) 11.125 2.550 ( 0.871 0.000 6.511) 6.569 2.653 ( 1.135 0.000 -5.211) 5.333 3.007 ( 0.485 0.000 0.955) 1.071 3.047 ( 1.316 0.000 1.599) 2.071 3.277 ( 3.878 0.000 22.643) 22.973 4.795 ( 0.122 0.000 -5.757) 5.758 5.162 ( 1.425 0.000 -21.711) 21.758 5.442 ( 0.534 0.000 9.751) 9.766 5.685 ( 0.104 0.000 -14.472) 14.472 5.837 ( -0.744 -0.000 12.752) 12.773 6.625 ( 0.074 0.000 -1.782) 1.783 7.142 ( -3.650 -0.000 27.246) 27.489 9.726 ( 1.810 0.000 -15.447) 15.553 9.911 ( 4.204 0.000 -10.861) 11.647 10.410 ( -0.877 -0.000 -5.986) 6.050 10.645 ( -0.152 -0.000 0.951) 0.963 11.253 ( 4.855 0.000 -4.973) 6.951 11.717 ( -0.346 -0.000 5.287) 5.299 12.189 ( -0.400 -0.000 30.580) 30.582 13.774 ( 1.876 0.000 -28.505) 28.567 14.172 ( 22.665 0.000 83.700) 86.715 14.913 ( -1.712 -0.000 26.966) 27.020 16.014 ( 1.550 0.000 -9.549) 9.674 16.154 ( 0.286 0.000 1.343) 1.373 16.532 ( -0.216 -0.000 -4.192) 4.197 16.684 ( 0.396 0.000 -5.072) 5.088 17.498 ( -5.524 -0.000 -38.066) 38.465 ======================= Grid point 302 (132/322) ======================= q-point: (-0.23 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -9.493 -4.004 4.967) 11.437 0.806 ( -2.322 -19.539 10.371) 22.242 0.926 ( 0.581 -18.422 3.098) 18.689 1.075 ( -0.312 -16.176 19.468) 25.313 1.419 ( 0.956 -16.760 2.270) 16.940 1.474 ( -0.471 -12.169 0.438) 12.186 1.634 ( -1.530 -3.478 13.818) 14.331 1.911 ( -0.148 -24.208 5.807) 24.895 2.343 ( 3.441 -0.772 -11.463) 11.994 2.590 ( -1.735 -1.944 3.080) 4.035 2.689 ( 1.632 -2.961 -2.154) 4.009 3.001 ( 0.889 1.160 -1.137) 1.852 3.044 ( 0.449 0.936 -0.651) 1.225 3.534 ( 5.725 -24.884 36.524) 44.565 4.775 ( 0.147 1.080 -5.592) 5.697 5.049 ( 1.753 6.659 -15.390) 16.861 5.536 ( -0.593 6.207 -13.749) 15.097 5.661 ( 0.992 -12.092 6.835) 13.925 6.008 ( -0.901 -15.415 12.950) 20.153 6.957 ( -0.587 -28.779 -2.361) 28.881 7.112 ( -3.847 1.746 25.002) 25.356 9.720 ( 1.842 1.967 -11.032) 11.356 9.919 ( 3.650 -0.778 -12.705) 13.242 10.356 ( -0.834 2.629 -6.378) 6.948 10.608 ( -0.111 3.054 2.484) 3.938 11.023 ( 1.210 9.402 -4.442) 10.468 11.868 ( 0.155 0.801 0.593) 1.008 12.495 ( 2.358 -17.514 -4.208) 18.167 13.359 ( 1.656 33.704 -22.452) 40.532 14.407 ( -2.010 39.376 23.625) 45.964 14.868 ( 27.327 -43.951 62.636) 81.251 16.052 ( 2.458 3.448 -13.110) 13.777 16.276 ( 1.052 19.029 -6.976) 20.295 16.618 ( 0.208 -18.242 0.976) 18.269 16.773 ( 0.033 -24.753 -1.765) 24.816 17.438 ( -7.483 -2.772 -14.277) 16.355 ======================= Grid point 303 (133/322) ======================= q-point: (-0.15 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -6.276 -14.371 3.847) 16.147 1.181 ( -2.007 -15.687 6.271) 17.013 1.326 ( 0.689 -18.744 0.122) 18.757 1.453 ( 0.339 -19.550 8.495) 21.319 1.657 ( -1.132 -7.448 9.941) 12.473 1.778 ( -0.076 -17.559 0.584) 17.569 1.837 ( 0.277 -15.818 -1.315) 15.875 2.313 ( 1.925 -4.745 -9.258) 10.580 2.437 ( 0.745 -8.562 -5.031) 9.958 2.704 ( -0.756 -12.983 0.687) 13.023 2.751 ( 0.267 -6.655 -8.273) 10.620 2.971 ( 0.416 2.012 -1.498) 2.542 3.036 ( 0.990 -2.886 -4.535) 5.466 4.243 ( 3.737 -37.695 36.210) 52.403 4.790 ( 0.342 -3.439 -6.505) 7.366 4.969 ( 1.590 0.958 -10.648) 10.809 5.411 ( 0.531 3.320 -10.623) 11.143 5.955 ( 0.163 -14.115 6.799) 15.668 6.377 ( -1.312 -19.677 14.445) 24.445 7.071 ( -2.805 1.030 21.403) 21.610 7.647 ( -1.104 -38.319 -2.172) 38.396 9.618 ( 1.465 8.022 -4.856) 9.491 10.009 ( 2.094 -6.714 -14.438) 16.060 10.347 ( 0.034 -2.120 -10.446) 10.659 10.538 ( -0.136 3.438 1.831) 3.898 10.898 ( 0.313 4.568 -8.363) 9.534 11.757 ( -0.731 8.972 9.232) 12.894 12.557 ( 2.104 29.101 -23.447) 37.430 12.728 ( 1.062 7.759 -13.976) 16.021 13.580 ( -1.895 38.895 21.393) 44.431 15.126 ( -7.922 31.891 -11.529) 34.824 15.951 ( 0.920 12.383 -13.914) 18.649 16.198 ( 23.246 -26.096 33.422) 48.357 17.058 ( -1.097 -17.049 4.352) 17.629 17.357 ( 0.281 -30.197 -1.360) 30.229 17.626 ( -3.327 -17.836 0.904) 18.166 ======================= Grid point 304 (134/322) ======================= q-point: (-0.08 -0.31 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -2.952 -19.992 1.786) 20.288 1.408 ( -1.650 -8.498 4.892) 9.943 1.587 ( 0.544 -7.216 3.129) 7.884 1.851 ( 0.128 -19.266 3.462) 19.575 1.897 ( -1.218 -16.597 6.489) 17.862 2.109 ( -1.072 -13.802 -4.185) 14.463 2.153 ( 1.715 -15.105 -2.938) 15.484 2.342 ( 1.312 -0.233 -7.740) 7.853 2.497 ( -0.247 -1.486 1.217) 1.936 2.756 ( 0.455 -0.463 1.606) 1.732 2.882 ( 0.799 1.932 -1.907) 2.830 2.921 ( -0.207 2.739 -1.070) 2.948 3.510 ( 0.675 -36.537 -17.013) 40.310 4.790 ( 1.093 -10.653 -1.374) 10.796 4.902 ( 0.273 -6.071 -3.369) 6.948 5.148 ( 1.941 -18.896 4.403) 19.499 5.474 ( 1.007 -12.509 -0.064) 12.550 6.186 ( -0.204 -7.865 9.378) 12.241 6.739 ( -1.617 -15.716 15.695) 22.270 7.081 ( -1.804 -3.065 15.466) 15.870 8.421 ( -0.579 -37.918 -0.667) 37.928 9.462 ( 0.302 6.389 -0.493) 6.415 10.112 ( 0.958 -0.441 -12.472) 12.517 10.417 ( 0.619 -4.816 -12.204) 13.135 10.509 ( 0.027 -0.848 0.847) 1.198 10.828 ( -0.071 1.735 -5.455) 5.725 11.532 ( -0.728 12.674 11.779) 17.318 11.885 ( 1.040 30.450 -13.217) 33.212 12.463 ( -0.566 27.003 4.525) 27.386 13.109 ( 0.497 3.329 -7.510) 8.229 14.314 ( -4.972 40.203 -11.917) 42.226 15.663 ( 1.048 16.426 -19.495) 25.514 16.748 ( 9.575 -18.197 27.252) 34.139 17.255 ( -1.535 -4.681 10.077) 11.217 17.925 ( 0.423 -25.483 -1.441) 25.528 18.037 ( -0.890 -21.176 0.898) 21.213 ======================= Grid point 315 (135/322) ======================= q-point: (-0.23 -0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -11.565 -0.000 6.412) 13.224 0.563 ( -2.858 -0.000 15.260) 15.525 0.712 ( 0.825 0.000 6.072) 6.128 0.941 ( -3.425 -0.000 39.561) 39.709 1.173 ( 0.759 0.000 11.902) 11.926 1.332 ( -1.491 -0.000 0.053) 1.492 1.606 ( -1.446 -0.000 14.154) 14.228 1.613 ( -1.249 -0.000 24.955) 24.987 2.347 ( 3.600 0.000 -10.813) 11.396 2.557 ( 0.060 0.000 4.390) 4.390 2.666 ( 2.760 0.000 -5.117) 5.814 3.008 ( -0.307 -0.000 1.815) 1.841 3.064 ( 2.576 0.000 -1.125) 2.811 3.331 ( 6.830 0.000 26.509) 27.375 4.795 ( 0.442 0.000 -5.485) 5.503 5.162 ( 1.401 0.000 -21.726) 21.771 5.451 ( 0.496 0.000 8.917) 8.930 5.676 ( -0.634 -0.000 -13.084) 13.099 5.837 ( -0.765 -0.000 12.751) 12.774 6.624 ( 0.073 0.000 -1.784) 1.786 7.126 ( -3.926 -0.000 25.850) 26.146 9.733 ( 1.997 0.000 -15.072) 15.203 9.941 ( 4.686 0.000 -10.934) 11.896 10.397 ( -1.438 -0.000 -6.418) 6.578 10.644 ( -0.303 -0.000 0.644) 0.712 11.292 ( 5.638 0.000 -7.751) 9.585 11.717 ( -0.329 -0.000 5.293) 5.303 12.203 ( -0.036 -0.000 29.762) 29.762 13.775 ( 1.900 0.000 -28.494) 28.557 14.467 ( 42.333 0.000 85.922) 95.785 14.913 ( -1.732 -0.000 26.952) 27.007 16.024 ( 2.215 0.000 -7.545) 7.863 16.159 ( 1.049 0.000 1.782) 2.068 16.532 ( 0.725 0.000 -3.244) 3.324 16.685 ( 0.382 0.000 -5.079) 5.093 17.410 ( -12.538 -0.000 -39.290) 41.243 ======================= Grid point 316 (136/322) ======================= q-point: (-0.15 -0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -10.501 -5.176 7.072) 13.678 0.793 ( -2.240 -19.614 11.085) 22.641 0.931 ( 0.197 -18.187 3.105) 18.451 1.083 ( -0.336 -16.544 19.200) 25.347 1.428 ( 1.050 -15.703 1.624) 15.822 1.471 ( -0.416 -13.875 1.377) 13.949 1.627 ( -1.928 -3.093 13.144) 13.640 1.912 ( -0.269 -24.055 4.403) 24.456 2.363 ( 2.916 -0.580 -11.340) 11.723 2.577 ( -1.701 -1.429 1.307) 2.578 2.701 ( 1.550 -2.310 -1.536) 3.178 3.003 ( -0.251 0.858 -0.555) 1.052 3.052 ( 1.561 1.535 -1.606) 2.715 3.604 ( 7.010 -24.352 36.995) 44.842 4.774 ( 0.495 1.138 -5.346) 5.488 5.055 ( 1.700 6.469 -15.457) 16.842 5.523 ( -0.997 5.571 -13.292) 14.447 5.672 ( 0.750 -11.702 7.463) 13.900 6.008 ( -0.952 -15.310 12.906) 20.047 6.949 ( -0.966 -28.461 -2.932) 28.628 7.096 ( -3.344 1.606 24.814) 25.090 9.728 ( 1.740 1.803 -11.187) 11.464 9.941 ( 3.437 -0.049 -12.917) 13.366 10.345 ( -0.906 2.299 -6.766) 7.203 10.608 ( -0.123 2.990 2.033) 3.618 11.030 ( 0.964 10.168 -4.430) 11.133 11.867 ( -0.309 1.034 0.348) 1.135 12.512 ( 2.568 -16.630 -6.317) 17.974 13.362 ( 1.919 33.877 -22.777) 40.867 14.403 ( -2.017 39.493 23.505) 46.002 15.146 ( 34.859 -29.627 44.940) 64.128 16.071 ( 3.941 0.741 -6.372) 7.529 16.283 ( 1.589 17.329 -3.860) 17.825 16.621 ( 0.298 -18.858 1.198) 18.898 16.776 ( 0.826 -24.560 -0.888) 24.590 17.357 ( -11.642 -6.142 -11.366) 17.391 ======================= Grid point 317 (137/322) ======================= q-point: (-0.08 -0.23 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( -5.531 -15.892 5.235) 17.622 1.169 ( -1.763 -15.690 6.528) 17.085 1.331 ( 0.409 -19.030 0.064) 19.035 1.460 ( 0.292 -19.401 8.478) 21.174 1.653 ( -1.194 -7.075 9.784) 12.133 1.776 ( -0.424 -16.715 1.034) 16.752 1.840 ( 0.679 -16.697 -1.985) 16.828 2.320 ( 0.905 -5.389 -8.659) 10.239 2.442 ( 1.297 -7.311 -5.688) 9.354 2.695 ( -1.165 -16.187 -2.809) 16.471 2.750 ( 0.291 -4.132 -5.324) 6.745 2.970 ( -0.444 2.178 -1.374) 2.613 3.045 ( 1.605 -2.851 -4.667) 5.699 4.289 ( 3.063 -36.197 35.282) 50.640 4.791 ( 0.676 -3.452 -6.316) 7.230 4.976 ( 1.517 0.831 -10.157) 10.303 5.408 ( 0.044 2.894 -10.390) 10.786 5.959 ( 0.073 -13.990 7.214) 15.741 6.373 ( -1.364 -19.566 14.357) 24.306 7.061 ( -2.402 0.790 20.261) 20.418 7.638 ( -0.887 -38.429 -1.460) 38.467 9.625 ( 1.051 8.235 -5.315) 9.857 10.017 ( 1.772 -6.256 -14.689) 16.064 10.342 ( 0.194 -2.363 -10.546) 10.809 10.538 ( -0.069 3.454 1.765) 3.879 10.896 ( 0.265 4.748 -8.592) 9.820 11.755 ( -1.018 8.865 8.850) 12.568 12.564 ( 2.534 29.902 -23.141) 37.895 12.729 ( 0.948 7.334 -14.129) 15.947 13.576 ( -1.813 38.789 21.324) 44.301 15.067 ( -5.421 34.192 -13.234) 37.062 15.950 ( 0.732 12.450 -14.081) 18.810 16.387 ( 19.705 -21.686 31.559) 43.064 17.050 ( -1.684 -16.582 5.033) 17.411 17.361 ( 0.694 -30.192 -0.807) 30.211 17.600 ( -3.134 -19.890 1.597) 20.198 ======================= Grid point 329 (138/322) ======================= q-point: (-0.15 -0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( -12.362 -0.000 9.159) 15.386 0.551 ( -2.266 -0.000 16.077) 16.236 0.720 ( 0.350 0.000 5.629) 5.640 0.933 ( -3.527 -0.000 40.803) 40.955 1.186 ( 0.716 0.000 12.144) 12.165 1.320 ( -1.406 -0.000 0.059) 1.408 1.600 ( -1.809 -0.000 13.388) 13.510 1.615 ( -1.328 -0.000 24.644) 24.680 2.366 ( 2.536 0.000 -11.072) 11.359 2.556 ( -0.422 -0.000 1.675) 1.727 2.689 ( 3.546 0.000 -5.769) 6.771 3.006 ( -0.513 -0.000 1.178) 1.285 3.084 ( 2.647 0.000 -2.938) 3.954 3.411 ( 9.521 0.000 27.962) 29.538 4.797 ( 0.796 0.000 -5.257) 5.317 5.162 ( 1.375 0.000 -21.748) 21.792 5.458 ( 0.327 0.000 7.908) 7.914 5.661 ( -1.675 -0.000 -10.762) 10.892 5.838 ( -0.797 -0.000 12.743) 12.768 6.624 ( 0.082 0.000 -1.785) 1.787 7.108 ( -3.733 -0.000 24.855) 25.133 9.741 ( 1.938 0.000 -14.900) 15.026 9.972 ( 4.318 0.000 -11.892) 12.652 10.381 ( -1.568 -0.000 -6.815) 6.994 10.641 ( -0.298 -0.000 0.369) 0.474 11.331 ( 5.188 0.000 -11.725) 12.821 11.717 ( -0.315 -0.000 5.304) 5.313 12.218 ( 0.020 0.000 28.206) 28.206 13.775 ( 1.908 0.000 -28.487) 28.551 14.913 ( -1.750 -0.000 26.943) 27.000 14.930 ( 63.543 0.000 69.989) 94.531 16.044 ( 3.705 0.000 -3.393) 5.024 16.179 ( 4.562 0.000 3.863) 5.978 16.539 ( 1.405 0.000 -2.107) 2.533 16.685 ( 0.356 0.000 -5.091) 5.104 17.246 ( -25.303 -0.000 -37.639) 45.354 ======================= Grid point 330 (139/322) ======================= q-point: (-0.08 -0.15 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -9.345 -6.802 9.778) 15.140 0.782 ( -1.939 -19.633 11.882) 23.030 0.933 ( -0.114 -18.069 3.095) 18.332 1.089 ( -0.644 -16.842 18.700) 25.175 1.436 ( 0.757 -13.726 0.385) 13.752 1.470 ( -0.152 -16.583 2.930) 16.840 1.617 ( -2.109 -2.664 12.554) 13.006 1.911 ( -0.416 -23.830 3.300) 24.061 2.376 ( 1.645 -0.524 -11.212) 11.344 2.566 ( -0.984 -1.040 0.055) 1.433 2.711 ( 1.107 -1.540 -1.446) 2.385 2.998 ( -0.792 0.822 -0.613) 1.296 3.065 ( 1.755 1.841 -1.998) 3.235 3.675 ( 5.663 -22.946 36.197) 43.230 4.777 ( 0.734 1.187 -5.123) 5.310 5.060 ( 1.564 6.303 -15.502) 16.807 5.508 ( -0.940 5.159 -12.715) 13.754 5.680 ( 0.178 -11.671 8.063) 14.187 6.006 ( -0.975 -15.204 12.875) 19.947 6.939 ( -1.065 -27.510 -2.997) 27.693 7.086 ( -2.186 0.660 24.517) 24.623 9.735 ( 1.365 1.821 -11.495) 11.719 9.958 ( 2.421 0.579 -13.382) 13.611 10.336 ( -0.588 1.907 -7.169) 7.442 10.608 ( -0.128 2.910 1.644) 3.345 11.034 ( 0.535 10.807 -4.388) 11.676 11.863 ( -0.694 1.235 0.103) 1.420 12.527 ( 2.202 -15.867 -8.185) 17.989 13.366 ( 2.079 33.967 -23.128) 41.145 14.399 ( -1.962 39.635 23.554) 46.147 15.424 ( 28.726 -5.071 11.240) 31.261 16.112 ( 6.569 -1.207 2.722) 7.213 16.302 ( 3.505 11.395 5.658) 13.197 16.624 ( 0.398 -19.401 1.557) 19.467 16.784 ( 1.208 -24.250 -0.008) 24.280 17.249 ( -13.709 -12.637 -5.941) 19.569 ======================= Grid point 343 (140/322) ======================= q-point: (-0.08 -0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.256 ( -10.304 -0.000 12.994) 16.583 0.544 ( -1.531 -0.000 16.617) 16.687 0.724 ( -0.135 -0.000 5.355) 5.357 0.926 ( -3.532 -0.000 41.799) 41.948 1.196 ( 0.217 0.000 12.475) 12.477 1.311 ( -0.889 -0.000 -0.110) 0.896 1.592 ( -1.734 -0.000 12.959) 13.074 1.616 ( -1.462 -0.000 24.431) 24.474 2.374 ( 0.679 0.000 -11.142) 11.162 2.555 ( 0.245 0.000 -0.001) 0.245 2.711 ( 2.563 0.000 -7.298) 7.735 3.002 ( -0.621 -0.000 0.113) 0.631 3.100 ( 1.913 0.000 -3.953) 4.392 3.496 ( 7.410 0.000 24.533) 25.628 4.801 ( 0.828 0.000 -5.216) 5.281 5.162 ( 1.354 0.000 -21.773) 21.815 5.465 ( 0.501 0.000 7.042) 7.060 5.640 ( -2.115 -0.000 -7.755) 8.038 5.838 ( -0.834 -0.000 12.730) 12.757 6.624 ( 0.098 0.000 -1.785) 1.787 7.095 ( -2.484 -0.000 24.670) 24.794 9.748 ( 1.624 0.000 -14.965) 15.053 9.993 ( 2.498 0.000 -13.535) 13.764 10.367 ( -1.124 -0.000 -7.063) 7.152 10.639 ( -0.269 -0.000 0.168) 0.317 11.357 ( 2.901 0.000 -15.422) 15.692 11.717 ( -0.306 -0.000 5.318) 5.327 12.230 ( -0.761 -0.000 26.363) 26.374 13.776 ( 1.897 0.000 -28.488) 28.551 14.913 ( -1.764 -0.000 26.942) 27.000 15.450 ( 51.880 0.000 15.408) 54.120 16.079 ( 4.485 0.000 1.788) 4.828 16.277 ( 23.572 0.000 12.812) 26.829 16.548 ( 0.482 0.000 -1.598) 1.669 16.685 ( 0.323 0.000 -5.106) 5.116 16.964 ( -40.403 -0.000 -22.892) 46.437 ======================= Grid point 344 (141/322) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -1.622 -0.000 22.713) 22.771 0.777 ( -0.357 -0.000 8.594) 8.601 0.845 ( -0.540 -0.000 6.102) 6.126 1.293 ( -1.137 -0.000 0.287) 1.173 1.302 ( 1.194 0.000 -0.091) 1.198 1.627 ( -2.167 -0.000 27.121) 27.208 1.878 ( -1.084 -0.000 14.091) 14.132 2.052 ( -0.712 -0.000 -18.658) 18.672 2.376 ( -2.826 -0.000 43.814) 43.905 2.522 ( 1.345 0.000 -2.959) 3.250 2.634 ( -0.673 -0.000 -0.271) 0.725 2.940 ( -0.949 -0.000 -4.635) 4.731 3.010 ( 1.490 0.000 -6.194) 6.371 4.041 ( -2.585 -0.000 27.856) 27.976 4.666 ( 1.704 0.000 -27.911) 27.963 4.792 ( -0.784 -0.000 5.498) 5.554 5.279 ( 1.815 0.000 -15.740) 15.844 5.740 ( -0.668 -0.000 5.346) 5.388 6.056 ( -0.662 -0.000 9.199) 9.223 6.574 ( 0.212 0.000 -3.081) 3.089 7.706 ( -0.584 -0.000 34.186) 34.191 9.448 ( -0.074 -0.000 -11.839) 11.840 9.598 ( 0.019 0.000 -23.980) 23.980 10.113 ( 0.268 0.000 -17.259) 17.261 10.641 ( 0.167 0.000 0.862) 0.878 11.056 ( -0.335 -0.000 -13.290) 13.294 11.873 ( -0.588 -0.000 10.038) 10.055 12.802 ( -2.676 -0.000 31.490) 31.603 13.233 ( 1.633 0.000 -25.291) 25.343 15.075 ( 0.439 0.000 -34.038) 34.041 15.419 ( -1.508 -0.000 23.380) 23.428 16.157 ( 0.761 0.000 3.001) 3.096 16.481 ( -13.161 -0.000 5.300) 14.189 16.534 ( 0.571 0.000 -9.804) 9.820 16.602 ( 3.891 0.000 3.824) 5.456 16.834 ( 9.030 0.000 -0.450) 9.041 ======================= Grid point 345 (142/322) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -0.191 -4.587 21.582) 22.065 0.961 ( -0.083 -15.668 6.521) 16.971 1.014 ( -0.637 -15.013 4.780) 15.769 1.410 ( -1.117 -10.903 0.953) 11.002 1.429 ( 0.979 -11.105 0.513) 11.160 1.655 ( -2.410 -4.610 21.979) 22.586 1.886 ( -0.445 -0.883 13.073) 13.111 2.050 ( -1.322 -0.813 -17.262) 17.331 2.254 ( -1.708 1.645 23.696) 23.814 2.527 ( 1.851 -0.202 -2.702) 3.281 2.751 ( -1.147 -5.266 6.923) 8.773 2.924 ( -0.896 1.149 -4.456) 4.689 3.001 ( 1.251 1.187 -5.729) 5.983 4.307 ( -2.982 -19.691 19.883) 28.142 4.586 ( 1.878 4.530 -23.938) 24.435 4.844 ( -2.034 -7.274 9.697) 12.292 5.223 ( 1.203 4.688 -14.319) 15.115 5.879 ( -1.329 -13.051 7.467) 15.094 6.242 ( -0.711 -16.962 10.651) 20.041 6.855 ( 0.685 -24.839 -4.855) 25.319 7.702 ( 0.015 0.576 34.328) 34.332 9.472 ( -0.511 -1.438 -12.181) 12.276 9.582 ( 0.280 -0.758 -21.360) 21.376 10.096 ( 1.108 1.127 -15.936) 16.014 10.623 ( 0.324 1.862 0.626) 1.991 10.902 ( -0.276 12.152 -7.667) 14.371 11.803 ( -0.401 4.572 0.692) 4.641 12.771 ( -1.039 10.018 14.022) 17.265 12.941 ( 0.851 20.142 -10.113) 22.555 14.759 ( 0.826 34.031 1.132) 34.060 15.101 ( 0.613 16.861 -12.186) 20.813 16.038 ( 0.093 22.747 -9.653) 24.711 16.630 ( -3.399 -25.011 7.309) 26.278 16.703 ( -8.448 -18.060 7.138) 21.177 16.844 ( 2.119 -22.487 2.483) 22.723 17.205 ( 4.052 -21.792 0.029) 22.166 ======================= Grid point 346 (143/322) ======================= q-point: ( 0.15 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 0.609 -12.151 16.857) 20.789 1.295 ( 0.191 -14.993 5.660) 16.027 1.360 ( -0.794 -17.862 2.889) 18.112 1.657 ( -0.989 -12.917 5.121) 13.930 1.702 ( 0.515 -14.830 -1.031) 14.874 1.826 ( -1.825 -11.216 5.500) 12.625 1.931 ( 0.593 -4.100 7.346) 8.434 2.076 ( -1.226 -3.280 -12.011) 12.511 2.416 ( 0.407 -12.209 4.779) 13.118 2.584 ( 1.303 -8.818 -1.807) 9.095 2.824 ( -1.491 -4.152 8.156) 9.272 2.888 ( -0.797 1.811 -3.855) 4.333 2.980 ( 1.140 0.452 -5.447) 5.583 4.434 ( 0.817 0.775 -24.687) 24.713 4.656 ( 0.472 -6.978 -2.415) 7.399 5.075 ( 0.537 -1.918 -2.625) 3.295 5.271 ( -4.747 -22.076 17.910) 28.822 6.189 ( -1.981 -16.809 12.078) 20.793 6.654 ( -0.678 -21.984 13.727) 25.926 7.345 ( 2.129 -13.726 0.685) 13.907 7.819 ( -1.227 -19.512 25.830) 32.394 9.452 ( -0.200 1.711 -11.156) 11.288 9.686 ( 0.309 -8.843 -15.509) 17.855 10.094 ( 1.753 -1.182 -13.843) 14.003 10.553 ( 0.344 5.781 -0.513) 5.814 10.696 ( 0.819 5.965 -9.412) 11.173 11.734 ( 0.092 2.220 -7.094) 7.434 12.230 ( 1.140 31.722 -15.348) 35.258 12.722 ( -0.915 10.591 16.271) 19.436 13.984 ( -0.087 39.760 15.588) 42.706 14.651 ( 4.066 29.497 -18.469) 35.038 15.592 ( 1.003 20.898 -19.850) 28.840 17.005 ( -10.860 -19.008 18.842) 28.884 17.153 ( 0.200 -20.766 5.181) 21.403 17.391 ( 0.502 -28.404 0.258) 28.410 17.647 ( 1.479 -21.263 2.499) 21.460 ======================= Grid point 347 (144/322) ======================= q-point: ( 0.23 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.406 -15.625 10.466) 18.810 1.507 ( 0.212 -6.108 5.879) 8.480 1.656 ( -0.893 -10.896 3.617) 11.515 1.930 ( -0.911 -13.835 -0.166) 13.866 1.991 ( 0.962 -12.762 -3.288) 13.214 2.025 ( -0.218 -10.570 4.561) 11.514 2.058 ( -0.915 -6.928 -6.409) 9.482 2.220 ( 0.600 -11.712 -3.294) 12.181 2.530 ( 1.540 -3.082 0.978) 3.581 2.755 ( -0.087 -1.946 -1.119) 2.247 2.844 ( -0.449 1.945 -2.488) 3.190 2.899 ( -0.565 1.206 0.527) 1.432 3.287 ( 0.444 -34.221 -2.904) 34.347 4.484 ( 0.691 -6.893 -23.318) 24.325 4.808 ( 0.710 -8.738 -5.172) 10.179 5.076 ( 0.452 -1.906 -10.247) 10.433 5.740 ( -3.837 -20.071 19.500) 28.246 6.501 ( -2.438 -13.465 17.767) 22.426 7.054 ( -0.486 -16.428 15.754) 22.766 7.401 ( 0.975 1.851 14.268) 14.420 8.456 ( -1.089 -36.479 7.730) 37.305 9.436 ( -0.114 -0.944 -1.601) 1.862 9.873 ( 0.469 -8.163 -11.105) 13.790 10.138 ( 1.438 -2.583 -13.579) 13.897 10.471 ( 0.488 1.104 -5.490) 5.621 10.655 ( 1.680 -1.911 -10.552) 10.854 11.660 ( 1.206 18.970 -9.464) 21.234 11.688 ( -0.446 8.701 -0.874) 8.756 12.459 ( -0.209 14.900 5.043) 15.731 13.259 ( -0.303 30.777 14.908) 34.199 14.002 ( 3.719 34.380 -13.245) 37.030 15.172 ( 1.715 21.602 -27.337) 34.885 17.316 ( -7.572 -14.357 21.952) 27.301 17.467 ( -0.333 -10.776 9.912) 14.645 17.922 ( -0.024 -23.656 -1.701) 23.717 18.062 ( 0.812 -18.955 0.767) 18.988 ======================= Grid point 348 (145/322) ======================= q-point: ( 0.31 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -0.183 -11.689 3.220) 12.126 1.586 ( 0.223 -2.401 2.835) 3.722 1.830 ( -0.492 -8.343 4.967) 9.722 2.084 ( -0.551 -3.327 -8.822) 9.445 2.173 ( 0.745 -5.785 -5.195) 7.811 2.272 ( -0.450 -13.312 2.188) 13.498 2.288 ( 0.633 -13.091 2.956) 13.436 2.468 ( 0.500 -11.528 -3.475) 12.051 2.615 ( 1.107 -4.890 1.365) 5.196 2.761 ( 0.194 0.539 0.248) 0.624 2.808 ( -0.336 1.576 -0.448) 1.672 2.849 ( -1.044 2.728 0.012) 2.921 4.017 ( 0.792 -35.047 -6.262) 35.611 4.694 ( 0.433 -12.934 -12.445) 17.954 5.014 ( 0.461 -12.203 -7.483) 14.322 5.195 ( 0.365 -10.418 -11.116) 15.239 6.001 ( -1.782 -6.962 9.308) 11.760 6.642 ( -1.737 0.541 20.209) 20.291 7.294 ( -1.081 -8.153 15.868) 17.873 7.421 ( 0.126 -3.734 10.822) 11.449 9.142 ( -0.971 -30.587 4.923) 30.996 9.501 ( -0.436 -5.612 5.923) 8.171 9.943 ( 0.011 -0.777 -0.860) 1.159 10.234 ( 0.886 -3.663 -12.751) 13.296 10.459 ( 1.086 -1.321 -9.345) 9.501 10.808 ( 1.087 -10.179 -4.759) 11.289 11.324 ( 0.441 10.789 -4.467) 11.685 11.501 ( -0.905 12.866 11.137) 17.040 12.141 ( 0.081 16.923 6.010) 17.958 12.846 ( 1.105 10.087 -8.524) 13.253 13.364 ( 2.517 28.091 -8.431) 29.437 14.715 ( 2.151 23.918 -32.106) 40.093 17.516 ( -5.083 -7.548 23.383) 25.091 17.611 ( -0.948 -4.120 15.404) 15.974 18.321 ( -0.067 -16.142 -3.547) 16.528 18.394 ( 0.698 -13.649 -2.127) 13.831 ======================= Grid point 349 (146/322) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -0.275 -4.855 -2.439) 5.440 1.622 ( 0.315 -1.249 -0.976) 1.616 2.005 ( -0.767 -8.067 1.189) 8.190 2.124 ( 0.784 -1.217 -5.606) 5.789 2.261 ( 0.308 -4.150 -0.613) 4.206 2.501 ( -0.299 -8.779 1.231) 8.870 2.515 ( 0.556 -8.633 1.768) 8.829 2.651 ( 0.379 -5.172 -4.529) 6.885 2.709 ( 0.402 -2.900 0.076) 2.928 2.736 ( 1.345 1.991 2.690) 3.607 2.770 ( -1.570 0.330 0.667) 1.738 2.826 ( -0.741 -1.061 0.276) 1.324 4.617 ( 0.994 -23.567 -6.460) 24.456 4.929 ( -0.189 -9.450 -1.885) 9.638 5.340 ( 0.181 -20.207 -6.801) 21.321 5.458 ( 0.850 -14.450 -12.253) 18.965 6.039 ( -0.742 1.992 3.422) 4.029 6.498 ( -1.063 12.165 17.581) 21.406 7.420 ( -1.525 -4.638 12.683) 13.590 7.498 ( 0.038 -2.671 8.477) 8.888 9.615 ( -0.464 -13.582 5.966) 14.842 9.669 ( -0.963 -13.286 7.757) 15.414 10.012 ( -0.163 -7.087 4.544) 8.420 10.208 ( 0.162 2.888 -1.481) 3.250 10.497 ( 0.423 2.749 -3.295) 4.312 10.878 ( -0.080 7.165 8.884) 11.413 11.241 ( -0.092 -0.339 1.182) 1.234 11.295 ( -0.530 2.813 1.212) 3.109 11.876 ( -0.215 5.845 7.128) 9.220 12.618 ( 2.927 19.088 -16.106) 25.146 13.098 ( 1.390 -4.548 -19.392) 19.966 14.225 ( 2.356 24.620 -35.167) 42.993 17.603 ( -3.675 -2.722 24.355) 24.780 17.653 ( -1.198 -0.491 19.915) 19.958 18.570 ( 0.164 -8.909 -4.988) 10.212 18.610 ( 0.519 -7.731 -4.371) 8.897 ======================= Grid point 350 (147/322) ======================= q-point: ( 0.46 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -0.034 -1.649 -4.441) 4.738 1.638 ( 0.453 -0.102 -3.718) 3.747 2.097 ( -0.527 -1.733 -4.387) 4.747 2.147 ( 0.967 -0.788 -4.226) 4.406 2.380 ( 0.109 -7.302 3.893) 8.275 2.550 ( -0.176 5.584 3.021) 6.351 2.629 ( 0.156 -2.724 0.746) 2.829 2.663 ( -0.488 -1.211 0.764) 1.513 2.732 ( 0.747 -0.781 -1.286) 1.680 2.741 ( -0.509 -0.029 -0.543) 0.745 2.821 ( 0.125 -3.334 0.274) 3.347 2.850 ( -0.267 -0.595 0.318) 0.726 4.959 ( 0.958 -10.490 -3.801) 11.198 5.044 ( -0.560 -1.283 -1.469) 2.029 5.713 ( 0.694 -12.097 -10.596) 16.097 5.755 ( 0.666 -14.534 -8.059) 16.632 5.967 ( -0.560 1.635 5.707) 5.962 6.200 ( -0.962 16.801 13.990) 21.884 7.478 ( -0.901 -1.627 9.306) 9.490 7.525 ( -0.330 -0.120 7.908) 7.916 9.813 ( -0.636 -7.867 9.320) 12.212 9.866 ( -0.610 -3.471 7.616) 8.392 10.193 ( 0.240 -5.293 1.343) 5.466 10.234 ( -0.652 -11.083 13.205) 17.252 10.352 ( -0.639 8.066 5.464) 9.764 10.574 ( -0.909 19.291 14.285) 24.021 11.279 ( -0.209 -3.872 0.813) 3.962 11.323 ( 0.140 -0.405 -1.450) 1.512 11.939 ( -0.447 -9.975 -3.734) 10.661 12.231 ( 1.991 17.933 -8.910) 20.123 13.347 ( 2.073 -17.259 -31.969) 36.389 13.749 ( 2.313 22.321 -35.743) 42.203 17.629 ( -2.615 -0.948 24.527) 24.684 17.649 ( -1.112 0.642 22.984) 23.019 18.686 ( 0.437 -2.885 -5.760) 6.457 18.709 ( 0.290 -2.205 -5.607) 6.032 ======================= Grid point 351 (148/322) ======================= q-point: (-0.46 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 0.596 1.858 -4.362) 4.779 1.640 ( 0.029 -0.108 -3.845) 3.847 2.105 ( 1.015 0.721 -4.792) 4.951 2.157 ( -0.377 -0.346 -4.965) 4.991 2.383 ( -0.886 9.466 5.980) 11.232 2.519 ( 0.211 -5.251 2.229) 5.708 2.631 ( 0.440 2.273 0.311) 2.336 2.648 ( -0.385 3.362 0.838) 3.486 2.730 ( -0.536 1.198 -0.810) 1.542 2.742 ( 0.690 0.173 -0.849) 1.107 2.830 ( -0.164 2.256 0.583) 2.336 2.859 ( 0.087 -0.327 0.132) 0.363 4.946 ( -0.398 10.757 -3.480) 11.313 5.052 ( 0.794 1.566 -1.939) 2.616 5.711 ( 0.583 11.681 -9.794) 15.255 5.768 ( 0.227 14.942 -8.085) 16.990 5.955 ( -0.023 -2.164 5.105) 5.545 6.199 ( -0.831 -16.174 13.935) 21.365 7.493 ( -0.933 -0.197 7.848) 7.905 7.516 ( -0.094 1.211 9.402) 9.480 9.811 ( -0.517 7.586 9.087) 11.848 9.878 ( -0.512 2.749 8.026) 8.499 10.204 ( -0.364 9.481 2.108) 9.719 10.237 ( -1.210 6.342 11.779) 13.432 10.335 ( 0.172 -7.615 5.335) 9.300 10.576 ( -1.014 -19.035 14.944) 24.221 11.278 ( 0.139 3.953 0.717) 4.020 11.324 ( 0.017 0.294 -1.269) 1.303 11.936 ( 0.944 11.238 -3.452) 11.794 12.210 ( -0.694 -16.980 -9.133) 19.292 13.348 ( 2.015 17.248 -32.007) 36.414 13.749 ( 2.271 -22.387 -35.772) 42.261 17.636 ( -0.362 0.831 24.440) 24.456 17.644 ( -2.004 -0.707 23.165) 23.262 18.690 ( 0.689 2.578 -5.698) 6.292 18.700 ( 0.068 3.014 -5.714) 6.461 ======================= Grid point 352 (149/322) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.761 5.378 -2.566) 6.007 1.631 ( -0.307 0.893 -1.137) 1.478 2.034 ( 0.087 7.887 0.237) 7.891 2.159 ( -1.320 -0.219 -6.104) 6.249 2.218 ( 0.967 5.581 1.719) 5.919 2.487 ( 0.054 8.419 1.387) 8.533 2.521 ( -0.483 9.086 1.407) 9.207 2.603 ( 1.178 3.847 -3.717) 5.478 2.689 ( -0.215 2.099 1.558) 2.623 2.718 ( -0.098 0.999 -0.222) 1.028 2.803 ( 0.385 -0.344 1.096) 1.211 2.850 ( -0.275 0.511 0.155) 0.601 4.602 ( 0.215 23.548 -6.577) 24.450 4.933 ( 0.342 9.290 -1.778) 9.465 5.347 ( 0.488 20.556 -6.473) 21.557 5.465 ( 0.506 14.131 -12.048) 18.576 6.035 ( 0.434 -2.370 2.874) 3.751 6.483 ( -0.859 -11.477 17.526) 20.968 7.461 ( -0.632 4.894 12.536) 13.472 7.481 ( -1.129 1.433 8.674) 8.864 9.615 ( -0.319 12.800 6.237) 14.242 9.694 ( -0.603 13.610 7.967) 15.782 10.009 ( -0.318 6.900 3.943) 7.953 10.223 ( -0.284 -2.253 -1.240) 2.588 10.479 ( 0.462 -2.605 -4.068) 4.853 10.871 ( -0.934 -6.514 9.280) 11.376 11.234 ( 0.103 0.582 0.865) 1.048 11.305 ( 0.146 -3.109 1.652) 3.523 11.856 ( -0.280 -5.534 7.747) 9.525 12.591 ( -0.269 -19.535 -15.874) 25.173 13.097 ( 1.149 4.983 -19.706) 20.358 14.226 ( 2.119 -24.724 -35.263) 43.119 17.612 ( 0.274 2.582 24.442) 24.580 17.649 ( -1.184 0.458 20.060) 20.100 18.571 ( 0.615 9.426 -5.052) 10.712 18.594 ( 0.228 7.736 -4.413) 8.909 ======================= Grid point 353 (150/322) ======================= q-point: (-0.31 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.508 12.084 2.610) 12.373 1.598 ( -1.029 2.359 2.809) 3.810 1.846 ( -0.954 8.793 5.814) 10.585 2.132 ( 1.451 4.678 -5.496) 7.362 2.139 ( -0.450 2.924 -8.351) 8.859 2.263 ( 0.265 13.039 1.736) 13.157 2.291 ( -0.758 13.086 2.906) 13.426 2.429 ( 1.349 11.890 -3.024) 12.342 2.605 ( -0.477 5.046 1.368) 5.249 2.746 ( 0.002 -1.547 -0.566) 1.647 2.833 ( 0.546 -1.920 1.203) 2.331 2.854 ( -0.112 -1.141 -1.123) 1.605 4.009 ( 0.389 34.531 -6.807) 35.198 4.707 ( 0.519 12.542 -11.447) 16.988 5.004 ( 0.945 12.988 -7.557) 15.056 5.207 ( 0.572 10.426 -11.175) 15.294 6.008 ( 0.324 6.251 8.839) 10.831 6.624 ( -0.168 -0.923 20.368) 20.390 7.314 ( -1.551 9.550 14.786) 17.670 7.430 ( -2.075 2.757 11.817) 12.311 9.159 ( -0.392 30.507 5.165) 30.944 9.508 ( -0.629 5.784 6.126) 8.449 9.945 ( 0.011 0.337 -0.965) 1.022 10.225 ( 1.220 5.039 -13.417) 14.383 10.454 ( 0.301 0.333 -9.345) 9.356 10.791 ( 0.255 10.582 -4.786) 11.617 11.315 ( 0.495 -10.318 -4.394) 11.226 11.510 ( -0.899 -13.137 11.391) 17.411 12.125 ( -0.160 -17.175 6.307) 18.297 12.843 ( 0.052 -10.697 -8.295) 13.536 13.348 ( -0.731 -27.915 -8.568) 29.209 14.719 ( 1.817 -24.037 -32.180) 40.208 17.528 ( 1.542 7.262 23.560) 24.702 17.609 ( -0.825 4.115 15.480) 16.039 18.312 ( 0.945 16.787 -3.570) 17.188 18.380 ( 0.105 13.582 -2.208) 13.761 ======================= Grid point 354 (151/322) ======================= q-point: (-0.23 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.449 15.693 9.869) 18.543 1.513 ( -1.370 6.494 5.831) 8.834 1.667 ( -0.356 10.867 4.107) 11.622 1.940 ( 0.137 14.616 3.192) 14.961 1.981 ( 0.087 12.183 -4.115) 12.860 2.033 ( -0.710 9.297 2.464) 9.644 2.078 ( 0.294 8.717 -5.502) 10.313 2.195 ( 1.551 9.322 -4.834) 10.615 2.516 ( -0.640 3.437 1.517) 3.811 2.751 ( 0.277 1.864 -1.745) 2.568 2.870 ( -0.877 -1.880 -1.447) 2.529 2.891 ( 1.185 -1.722 -0.443) 2.136 3.287 ( -0.055 34.376 -3.250) 34.530 4.494 ( 1.597 7.177 -22.906) 24.057 4.797 ( 0.632 8.552 -4.670) 9.764 5.077 ( 0.773 2.592 -10.126) 10.481 5.761 ( -0.044 19.144 18.811) 26.839 6.499 ( 0.255 12.896 18.247) 22.345 7.057 ( -1.723 16.548 15.438) 22.696 7.403 ( -2.904 -0.817 14.263) 14.579 8.465 ( -0.526 36.988 7.839) 37.814 9.445 ( -0.288 0.508 -1.577) 1.681 9.885 ( 0.141 7.675 -11.031) 13.440 10.123 ( 1.354 2.555 -13.898) 14.195 10.464 ( 0.692 -0.620 -5.716) 5.791 10.644 ( 0.391 1.300 -10.524) 10.611 11.644 ( 1.227 -20.091 -10.009) 22.480 11.701 ( -0.502 -7.588 -0.329) 7.612 12.455 ( -0.172 -15.470 5.582) 16.447 13.258 ( -1.511 -30.596 14.962) 34.092 13.993 ( -1.318 -34.661 -13.487) 37.216 15.178 ( 1.434 -21.734 -27.357) 34.968 17.333 ( 3.640 13.779 22.073) 26.274 17.465 ( -0.793 10.759 9.959) 14.682 17.903 ( 1.560 24.314 -1.719) 24.425 18.051 ( -0.211 18.995 0.722) 19.010 ======================= Grid point 355 (152/322) ======================= q-point: (-0.15 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -1.496 11.854 16.381) 20.275 1.293 ( -0.607 15.251 5.516) 16.229 1.367 ( -0.449 17.929 2.991) 18.183 1.666 ( -0.663 12.739 6.170) 14.170 1.699 ( -0.059 14.891 -1.895) 15.012 1.833 ( 0.557 11.934 4.996) 12.949 1.923 ( -1.011 3.276 8.548) 9.211 2.097 ( 0.463 2.469 -13.192) 13.429 2.413 ( -0.665 11.050 5.266) 12.259 2.576 ( -0.071 9.807 -2.241) 10.060 2.836 ( -1.019 4.498 8.137) 9.353 2.908 ( -1.123 -1.720 -3.963) 4.464 2.959 ( 2.124 -0.659 -5.456) 5.892 4.439 ( 1.879 -0.901 -24.975) 25.062 4.648 ( 0.688 7.299 -1.537) 7.490 5.061 ( 1.327 2.705 -1.847) 3.534 5.303 ( -1.206 21.164 16.862) 27.087 6.191 ( 0.187 16.811 12.164) 20.751 6.655 ( -1.281 22.008 13.674) 25.941 7.340 ( -1.726 13.295 1.058) 13.448 7.811 ( -1.106 20.732 25.373) 32.784 9.467 ( -0.124 -2.216 -11.057) 11.278 9.698 ( 0.332 8.886 -15.429) 17.808 10.087 ( 0.770 0.657 -14.031) 14.067 10.548 ( 0.253 -5.871 -0.607) 5.908 10.695 ( 0.498 -6.328 -9.452) 11.386 11.744 ( -0.292 -2.277 -7.584) 7.923 12.220 ( 1.977 -31.750 -14.844) 35.105 12.726 ( -1.597 -10.837 16.427) 19.744 13.981 ( -1.537 -39.695 15.546) 42.658 14.650 ( -1.535 -30.017 -18.803) 35.453 15.598 ( 0.884 -20.985 -19.884) 28.922 17.026 ( 5.949 18.696 18.570) 27.014 17.155 ( -0.906 20.140 5.488) 20.894 17.367 ( 2.140 28.911 0.151) 28.990 17.635 ( -0.556 21.842 2.693) 22.014 ======================= Grid point 356 (153/322) ======================= q-point: (-0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -2.218 4.355 21.154) 21.711 0.960 ( -0.296 15.648 6.562) 16.971 1.016 ( -0.530 15.100 4.729) 15.832 1.417 ( -0.514 10.808 2.108) 11.024 1.422 ( 0.310 11.329 -0.792) 11.361 1.659 ( -1.330 4.587 22.125) 22.634 1.886 ( -1.363 0.785 12.911) 13.006 2.065 ( -0.014 0.766 -17.393) 17.410 2.256 ( -1.822 -1.640 23.833) 23.959 2.519 ( 0.589 0.259 -2.739) 2.814 2.755 ( -0.851 5.286 6.906) 8.738 2.934 ( -1.010 -1.140 -4.549) 4.797 2.992 ( 1.774 -1.233 -5.682) 6.079 4.311 ( -0.691 19.646 19.950) 28.009 4.582 ( 2.187 -4.898 -23.965) 24.558 4.849 ( -0.564 7.270 9.607) 12.061 5.223 ( 0.568 -4.156 -14.161) 14.769 5.880 ( 0.096 13.017 7.389) 14.968 6.243 ( -0.815 16.971 10.642) 20.048 6.854 ( 0.061 24.821 -4.830) 25.287 7.691 ( -1.589 -0.447 34.323) 34.362 9.481 ( -0.262 1.676 -11.679) 11.801 9.590 ( 0.528 0.414 -21.783) 21.793 10.099 ( 0.132 -1.437 -15.998) 16.063 10.621 ( 0.079 -1.878 0.412) 1.924 10.906 ( 0.081 -12.472 -7.546) 14.578 11.806 ( -0.480 -4.359 0.456) 4.409 12.772 ( -0.994 -10.702 13.460) 17.225 12.940 ( 0.487 -19.733 -9.404) 21.864 14.759 ( -0.809 -34.363 1.376) 34.400 15.109 ( -1.035 -17.147 -13.402) 21.788 16.043 ( 0.090 -22.894 -9.693) 24.862 16.628 ( 2.045 24.401 6.020) 25.215 16.737 ( 0.688 16.627 8.382) 18.633 16.821 ( 2.883 23.730 2.082) 23.995 17.184 ( 0.734 23.055 0.962) 23.087 ======================= Grid point 358 (154/322) ======================= q-point: ( 0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 0.864 0.000 22.614) 22.631 0.779 ( -0.175 -0.000 8.430) 8.432 0.843 ( -0.667 -0.000 6.234) 6.270 1.283 ( -1.315 -0.000 0.341) 1.359 1.312 ( 1.301 0.000 -0.162) 1.311 1.621 ( -2.836 -0.000 26.886) 27.035 1.880 ( -0.238 -0.000 14.168) 14.170 2.032 ( -1.765 -0.000 -18.325) 18.410 2.376 ( -2.836 -0.000 43.847) 43.938 2.535 ( 2.346 0.000 -3.073) 3.866 2.626 ( -1.119 -0.000 -0.218) 1.140 2.931 ( -0.797 -0.000 -4.509) 4.579 3.016 ( 0.973 0.000 -6.157) 6.233 4.022 ( -5.816 -0.000 28.719) 29.302 4.665 ( 1.727 0.000 -27.911) 27.965 4.786 ( -1.419 -0.000 5.227) 5.416 5.289 ( 2.548 0.000 -16.064) 16.265 5.731 ( -2.154 -0.000 5.378) 5.794 6.056 ( -0.674 -0.000 9.201) 9.226 6.574 ( 0.232 0.000 -3.076) 3.085 7.726 ( 1.144 0.000 34.164) 34.183 9.441 ( -0.289 -0.000 -12.076) 12.080 9.585 ( -0.193 -0.000 -23.295) 23.296 10.111 ( 1.420 0.000 -17.115) 17.174 10.643 ( 0.348 0.000 1.121) 1.174 11.045 ( -0.729 -0.000 -13.056) 13.076 11.874 ( -0.609 -0.000 10.037) 10.055 12.799 ( -2.094 -0.000 31.826) 31.895 13.233 ( 1.594 0.000 -25.304) 25.354 15.068 ( 2.192 0.000 -30.878) 30.956 15.419 ( -1.497 -0.000 23.395) 23.443 16.163 ( 0.584 0.000 2.761) 2.822 16.343 ( -21.801 -0.000 11.986) 24.879 16.534 ( 0.562 0.000 -9.803) 9.820 16.619 ( 0.473 0.000 2.423) 2.469 16.907 ( 8.424 0.000 -5.726) 10.186 ======================= Grid point 359 (155/322) ======================= q-point: ( 0.15 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 1.554 -4.466 20.906) 21.434 0.965 ( 0.097 -15.727 6.348) 16.960 1.011 ( -0.708 -14.925 4.923) 15.731 1.402 ( -0.993 -11.098 1.077) 11.194 1.437 ( 0.939 -10.873 0.434) 10.922 1.644 ( -3.115 -4.474 21.914) 22.582 1.892 ( 0.239 -0.969 12.792) 12.831 2.029 ( -1.870 -0.944 -16.542) 16.674 2.253 ( -1.565 1.526 23.512) 23.613 2.543 ( 2.541 -0.115 -2.779) 3.767 2.745 ( -1.336 -5.290 7.102) 8.956 2.915 ( -0.697 1.141 -4.301) 4.504 3.006 ( 0.747 1.155 -5.798) 5.959 4.285 ( -5.024 -20.702 21.571) 30.317 4.587 ( 1.471 4.414 -24.207) 24.650 4.829 ( -2.842 -6.664 9.151) 11.672 5.227 ( 1.739 5.299 -14.615) 15.643 5.868 ( -2.488 -13.214 7.246) 15.275 6.242 ( -0.603 -17.031 10.686) 20.115 6.860 ( 1.135 -25.208 -4.993) 25.723 7.724 ( 0.996 1.028 34.448) 34.478 9.461 ( -0.471 -1.303 -12.367) 12.445 9.573 ( 0.302 -1.140 -20.459) 20.493 10.101 ( 2.034 0.970 -15.764) 15.924 10.627 ( 0.467 1.852 0.840) 2.087 10.895 ( -0.458 11.744 -7.676) 14.037 11.800 ( -0.235 4.708 0.863) 4.792 12.770 ( -1.003 10.119 13.827) 17.164 12.943 ( 1.080 19.940 -9.671) 22.188 14.773 ( 2.235 34.474 3.210) 34.695 15.108 ( 2.830 15.141 -12.326) 19.728 16.034 ( 0.103 22.141 -9.253) 23.997 16.543 ( -19.190 -20.529 14.715) 31.721 16.667 ( -1.258 -24.250 3.100) 24.480 16.853 ( -0.153 -22.309 1.601) 22.367 17.238 ( 4.115 -20.385 -2.083) 20.900 ======================= Grid point 360 (156/322) ======================= q-point: ( 0.23 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 1.198 -11.783 16.084) 19.974 1.301 ( 0.582 -15.038 5.592) 16.054 1.355 ( -0.907 -17.784 2.929) 18.047 1.652 ( -0.879 -12.866 5.127) 13.878 1.706 ( 0.555 -14.814 -0.992) 14.857 1.813 ( -2.087 -11.452 5.712) 12.967 1.939 ( 0.499 -3.790 5.175) 6.434 2.060 ( -1.124 -3.994 -9.789) 10.632 2.423 ( 0.604 -13.146 4.842) 14.022 2.595 ( 1.598 -7.706 -2.067) 8.137 2.816 ( -1.482 -4.053 8.221) 9.285 2.881 ( -0.474 1.787 -3.666) 4.106 2.984 ( 0.629 0.310 -5.451) 5.496 4.427 ( 0.492 0.639 -24.400) 24.413 4.657 ( 0.179 -7.157 -2.563) 7.604 5.074 ( -0.422 -3.230 -0.555) 3.304 5.240 ( -4.946 -20.879 16.153) 26.857 6.176 ( -2.616 -16.907 11.577) 20.657 6.656 ( -0.419 -22.079 13.831) 26.057 7.367 ( 3.292 -14.419 -0.017) 14.790 7.822 ( -1.434 -18.252 26.696) 32.371 9.446 ( 0.067 1.419 -10.809) 10.902 9.681 ( 0.564 -8.948 -15.238) 17.679 10.101 ( 1.936 -1.059 -13.645) 13.822 10.555 ( 0.269 5.909 -0.530) 5.938 10.698 ( 0.934 5.505 -9.438) 10.966 11.732 ( 0.447 2.138 -6.941) 7.276 12.229 ( 0.617 31.648 -15.588) 35.285 12.724 ( -0.611 10.753 16.586) 19.776 13.993 ( 0.286 40.013 16.311) 43.211 14.684 ( 6.699 29.835 -19.755) 36.404 15.591 ( 1.169 20.861 -19.806) 28.790 16.907 ( -15.973 -22.109 21.515) 34.740 17.156 ( 0.011 -20.813 4.904) 21.383 17.390 ( -0.684 -28.362 -0.332) 28.372 17.661 ( 1.605 -20.661 2.047) 20.824 ======================= Grid point 361 (157/322) ======================= q-point: ( 0.31 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.272 -15.185 9.856) 18.105 1.513 ( 0.676 -5.949 5.851) 8.372 1.651 ( -0.843 -11.084 3.570) 11.675 1.923 ( -0.819 -13.528 -0.900) 13.583 1.997 ( 0.855 -12.725 -3.953) 13.353 2.026 ( -0.107 -10.804 3.845) 11.468 2.048 ( -0.661 -7.343 -4.923) 8.865 2.221 ( 0.019 -11.954 -2.605) 12.235 2.544 ( 1.721 -2.915 1.085) 3.554 2.752 ( -0.500 -1.904 -0.995) 2.206 2.842 ( 0.067 1.863 -2.454) 3.081 2.894 ( -0.829 1.121 0.411) 1.454 3.289 ( 0.557 -34.141 -2.866) 34.266 4.478 ( 0.671 -7.024 -23.466) 24.504 4.810 ( 0.545 -8.749 -5.248) 10.217 5.074 ( 0.393 -1.737 -10.180) 10.335 5.718 ( -4.256 -20.878 20.143) 29.321 6.488 ( -2.845 -13.678 17.084) 22.069 7.059 ( -0.197 -16.449 15.932) 22.900 7.419 ( 1.647 2.642 14.780) 15.104 8.452 ( -1.017 -36.434 7.487) 37.209 9.435 ( 0.084 -1.056 -1.461) 1.805 9.872 ( 0.730 -8.203 -10.911) 13.670 10.141 ( 1.166 -2.482 -13.617) 13.891 10.471 ( 0.341 1.159 -5.553) 5.683 10.664 ( 1.723 -2.019 -10.485) 10.816 11.663 ( 0.805 21.103 -10.061) 23.393 11.685 ( -0.067 6.440 -0.246) 6.445 12.460 ( -0.312 14.897 5.060) 15.736 13.265 ( -0.166 30.969 15.354) 34.566 14.029 ( 4.736 35.067 -14.251) 38.148 15.173 ( 1.881 21.563 -27.342) 34.873 17.260 ( -9.365 -16.418 23.195) 29.921 17.469 ( -0.526 -10.685 9.644) 14.403 17.918 ( -0.674 -23.742 -2.141) 23.847 18.068 ( 0.786 -18.773 0.707) 18.802 ======================= Grid point 362 (158/322) ======================= q-point: ( 0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -0.508 -11.398 2.911) 11.775 1.590 ( 0.519 -2.229 2.734) 3.565 1.829 ( -0.167 -8.407 4.504) 9.539 2.077 ( -0.148 -3.791 -8.620) 9.418 2.175 ( 0.503 -5.696 -5.143) 7.691 2.270 ( -0.492 -13.439 2.124) 13.615 2.295 ( 0.657 -12.987 2.971) 13.339 2.467 ( -0.293 -11.570 -3.468) 12.082 2.626 ( 1.233 -4.681 1.533) 5.077 2.760 ( -0.460 0.125 0.317) 0.573 2.809 ( 0.727 1.614 -0.363) 1.807 2.839 ( -1.457 3.024 -0.007) 3.357 4.020 ( 0.723 -35.094 -6.305) 35.663 4.692 ( 0.663 -13.127 -12.618) 18.221 5.013 ( 0.224 -11.990 -7.384) 14.083 5.193 ( 0.536 -10.537 -11.174) 15.368 5.991 ( -1.918 -7.423 9.783) 12.429 6.636 ( -2.167 0.010 19.931) 20.048 7.296 ( -0.608 -7.570 16.052) 17.758 7.428 ( 0.403 -3.464 11.012) 11.551 9.138 ( -0.724 -30.606 4.774) 30.984 9.501 ( -0.295 -5.558 5.882) 8.098 9.942 ( 0.051 -0.809 -0.874) 1.192 10.234 ( 0.711 -3.483 -12.798) 13.283 10.463 ( 1.048 -1.550 -9.378) 9.563 10.814 ( 0.874 -10.031 -4.611) 11.074 11.325 ( 0.268 10.737 -4.582) 11.677 11.500 ( -0.771 13.139 11.532) 17.499 12.144 ( -0.157 16.764 5.690) 17.704 12.851 ( 1.086 9.895 -8.222) 12.911 13.380 ( 2.692 28.742 -9.186) 30.294 14.716 ( 2.252 23.925 -32.105) 40.102 17.486 ( -5.561 -8.543 23.897) 25.980 17.611 ( -1.055 -4.113 15.238) 15.818 18.318 ( -0.295 -16.270 -3.814) 16.714 18.398 ( 0.519 -13.545 -2.169) 13.727 ======================= Grid point 363 (159/322) ======================= q-point: ( 0.46 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -0.431 -4.917 -2.469) 5.519 1.625 ( 0.447 -1.155 -1.075) 1.640 2.001 ( -0.299 -7.558 0.253) 7.568 2.129 ( 1.110 -1.672 -5.034) 5.419 2.261 ( -0.169 -4.280 -0.520) 4.314 2.499 ( -0.375 -8.788 1.133) 8.868 2.520 ( 0.569 -8.628 1.830) 8.838 2.648 ( -0.530 -5.143 -4.422) 6.803 2.713 ( 0.443 -2.354 0.082) 2.397 2.744 ( 0.325 2.744 2.527) 3.744 2.761 ( -0.501 -0.663 0.622) 1.038 2.821 ( -0.394 -1.324 0.574) 1.496 4.621 ( 0.791 -23.686 -6.475) 24.568 4.926 ( -0.110 -9.233 -1.933) 9.434 5.338 ( 0.274 -20.320 -6.762) 21.418 5.459 ( 0.989 -14.565 -12.457) 19.191 6.034 ( -0.865 1.839 3.763) 4.277 6.497 ( -1.299 12.054 17.609) 21.379 7.417 ( -0.966 -4.580 12.666) 13.503 7.502 ( -0.131 -2.460 8.515) 8.864 9.615 ( -0.471 -13.848 5.807) 15.024 9.667 ( -0.572 -13.044 7.810) 15.214 10.013 ( -0.224 -7.154 4.617) 8.517 10.210 ( 0.363 2.749 -1.685) 3.245 10.498 ( 0.172 3.007 -3.168) 4.372 10.881 ( -0.188 7.275 9.066) 11.625 11.240 ( -0.227 -0.085 1.389) 1.410 11.292 ( -0.382 2.500 1.015) 2.725 11.877 ( -0.531 6.077 7.161) 9.407 12.632 ( 2.622 18.969 -16.744) 25.437 13.099 ( 1.392 -4.263 -19.325) 19.838 14.226 ( 2.393 24.657 -35.175) 43.023 17.586 ( -3.699 -3.234 24.585) 25.071 17.654 ( -1.235 -0.589 19.828) 19.875 18.569 ( 0.181 -9.028 -5.099) 10.370 18.611 ( 0.288 -7.642 -4.437) 8.841 ======================= Grid point 364 (160/322) ======================= q-point: ( 0.54 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -0.039 -1.730 -4.429) 4.755 1.640 ( 0.469 -0.095 -3.770) 3.800 2.091 ( -0.224 -2.105 -4.416) 4.897 2.152 ( 0.939 -0.339 -4.353) 4.466 2.383 ( 0.107 -7.387 3.945) 8.375 2.548 ( -0.773 5.701 2.972) 6.476 2.633 ( 0.548 -2.562 0.934) 2.782 2.659 ( -0.704 -1.527 0.516) 1.759 2.732 ( -0.501 -0.336 -0.570) 0.829 2.741 ( 0.494 -0.487 -1.300) 1.473 2.823 ( 0.315 -3.279 0.283) 3.306 2.849 ( -0.159 -0.597 0.520) 0.808 4.964 ( 0.752 -10.507 -3.675) 11.156 5.039 ( -0.411 -1.271 -1.620) 2.100 5.713 ( 0.637 -12.382 -10.343) 16.147 5.757 ( 0.913 -14.086 -8.633) 16.546 5.965 ( -0.749 1.356 6.054) 6.249 6.199 ( -0.971 16.838 14.045) 21.948 7.476 ( -0.610 -1.612 9.312) 9.470 7.526 ( -0.505 -0.159 7.878) 7.896 9.813 ( -0.648 -7.869 9.308) 12.206 9.865 ( -0.450 -3.527 7.605) 8.396 10.196 ( 0.347 -5.416 1.246) 5.569 10.235 ( -0.692 -10.893 13.352) 17.246 10.349 ( -0.777 8.066 5.294) 9.679 10.574 ( -0.870 19.409 14.479) 24.230 11.278 ( -0.210 -3.934 0.851) 4.031 11.324 ( 0.162 -0.445 -1.531) 1.603 11.933 ( -0.474 -9.740 -3.417) 10.333 12.241 ( 1.624 18.125 -9.386) 20.476 13.347 ( 2.081 -17.256 -31.961) 36.381 13.749 ( 2.316 22.359 -35.760) 42.238 17.621 ( -2.610 -1.310 24.614) 24.787 17.652 ( -1.058 0.474 22.944) 22.973 18.687 ( 0.546 -2.959 -5.749) 6.489 18.708 ( 0.118 -2.158 -5.678) 6.075 ======================= Grid point 365 (161/322) ======================= q-point: (-0.38 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.567 1.771 -4.370) 4.749 1.638 ( 0.034 -0.093 -3.797) 3.798 2.111 ( 0.965 0.212 -4.797) 4.897 2.151 ( -0.642 0.346 -4.757) 4.812 2.379 ( -0.825 9.242 5.750) 10.916 2.523 ( 0.461 -5.085 2.327) 5.611 2.636 ( 0.890 2.101 0.372) 2.312 2.645 ( -0.428 3.343 0.834) 3.472 2.725 ( -0.501 1.016 -0.702) 1.333 2.746 ( 0.518 0.310 -0.931) 1.110 2.829 ( -0.220 2.218 0.599) 2.308 2.859 ( -0.037 -0.214 -0.012) 0.218 4.942 ( -0.070 10.693 -3.578) 11.276 5.056 ( 0.544 1.602 -1.812) 2.479 5.711 ( 0.622 11.480 -10.018) 15.249 5.765 ( 0.073 15.279 -7.581) 17.056 5.958 ( 0.113 -2.381 4.806) 5.365 6.199 ( -0.817 -16.179 13.886) 21.337 7.490 ( -0.852 0.008 7.966) 8.012 7.519 ( -0.277 1.024 9.300) 9.360 9.812 ( -0.501 7.621 9.112) 11.889 9.877 ( -0.700 2.696 7.988) 8.460 10.202 ( -0.517 8.840 1.709) 9.019 10.233 ( -1.214 7.005 12.092) 14.027 10.340 ( 0.365 -7.578 5.581) 9.418 10.576 ( -1.020 -18.909 14.733) 23.993 11.280 ( 0.125 3.895 0.691) 3.958 11.324 ( 0.016 0.255 -1.208) 1.235 11.941 ( 0.882 11.405 -3.789) 12.050 12.202 ( -0.213 -16.872 -8.645) 18.959 13.348 ( 2.012 17.249 -32.012) 36.419 13.749 ( 2.274 -22.345 -35.752) 42.222 17.639 ( -1.890 -0.581 23.425) 23.508 17.646 ( -0.622 0.217 24.130) 24.139 18.694 ( 0.811 2.423 -5.538) 6.100 18.697 ( 0.016 3.115 -5.817) 6.598 ======================= Grid point 366 (162/322) ======================= q-point: (-0.31 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.761 5.241 -2.527) 5.868 1.627 ( -0.361 1.025 -1.022) 1.492 2.032 ( -0.500 8.567 1.355) 8.688 2.145 ( -1.325 -0.220 -6.091) 6.238 2.228 ( 1.375 4.867 0.668) 5.102 2.489 ( 0.255 8.377 1.494) 8.513 2.518 ( -0.491 9.117 1.364) 9.231 2.613 ( 1.609 4.129 -3.869) 5.883 2.690 ( 0.347 1.941 1.749) 2.636 2.717 ( -0.201 1.090 -0.165) 1.121 2.805 ( -0.062 -0.652 1.118) 1.295 2.847 ( -0.526 0.608 -0.084) 0.808 4.601 ( 0.532 23.459 -6.537) 24.359 4.934 ( 0.205 9.493 -1.761) 9.658 5.347 ( 0.368 20.418 -6.577) 21.454 5.463 ( 0.457 14.077 -11.900) 18.438 6.039 ( 0.328 -2.431 2.698) 3.646 6.486 ( -0.700 -11.679 17.508) 21.058 7.458 ( -1.694 4.496 12.827) 13.698 7.480 ( -0.337 2.208 8.353) 8.646 9.616 ( -0.344 12.762 6.301) 14.237 9.692 ( -0.983 13.699 7.892) 15.840 10.009 ( -0.240 6.871 3.990) 7.949 10.219 ( -0.465 -2.510 -1.107) 2.782 10.481 ( 0.745 -2.370 -4.054) 4.755 10.869 ( -0.712 -6.554 9.080) 11.221 11.235 ( 0.178 0.730 0.787) 1.088 11.306 ( -0.079 -3.275 1.688) 3.685 11.859 ( -0.015 -5.395 7.617) 9.334 12.584 ( 0.513 -19.518 -15.386) 24.859 13.096 ( 1.206 5.105 -19.696) 20.382 14.225 ( 2.130 -24.677 -35.240) 43.074 17.624 ( -0.447 2.143 24.119) 24.218 17.651 ( -1.115 0.419 20.225) 20.260 18.573 ( 0.433 9.288 -4.934) 10.526 18.594 ( 0.580 7.764 -4.367) 8.927 ======================= Grid point 367 (163/322) ======================= q-point: (-0.23 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.590 12.174 2.978) 12.547 1.591 ( -0.947 2.508 2.926) 3.969 1.841 ( -1.035 8.589 5.857) 10.447 2.122 ( -1.349 2.512 -8.108) 8.594 2.148 ( 2.028 5.281 -5.894) 8.169 2.267 ( 0.390 13.007 1.913) 13.152 2.287 ( -0.691 13.176 2.877) 13.504 2.440 ( 1.720 11.716 -3.147) 12.252 2.603 ( -0.188 5.212 1.233) 5.359 2.747 ( 0.380 -1.505 -0.407) 1.605 2.832 ( -0.719 -1.463 0.508) 1.708 2.855 ( 0.337 -1.786 -0.608) 1.916 4.010 ( 0.562 34.645 -6.617) 35.276 4.705 ( 0.362 12.539 -11.615) 17.096 5.008 ( 0.964 12.893 -7.599) 14.997 5.205 ( 0.391 10.344 -11.123) 15.195 6.013 ( -0.189 6.135 8.653) 10.609 6.633 ( -0.270 -1.198 20.500) 20.537 7.309 ( -1.751 9.622 15.003) 17.909 7.421 ( -1.688 3.171 11.367) 11.922 9.157 ( -0.727 30.518 5.194) 30.965 9.506 ( -0.676 5.771 6.091) 8.418 9.944 ( -0.016 0.436 -0.921) 1.019 10.228 ( 1.255 4.800 -13.193) 14.095 10.453 ( 0.539 0.435 -9.322) 9.347 10.792 ( 0.658 10.576 -4.878) 11.665 11.317 ( 0.593 -10.490 -4.339) 11.368 11.508 ( -0.986 -12.874 11.044) 16.990 12.127 ( 0.071 -17.213 6.446) 18.381 12.841 ( 0.330 -10.681 -8.573) 13.700 13.341 ( 0.137 -27.483 -7.988) 28.620 14.717 ( 1.845 -23.999 -32.160) 40.170 17.546 ( 0.064 6.584 23.139) 24.058 17.610 ( -0.934 4.172 15.581) 16.157 18.317 ( 0.815 16.529 -3.366) 16.888 18.381 ( 0.427 13.663 -2.164) 13.840 ======================= Grid point 368 (164/322) ======================= q-point: (-0.15 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 0.018 15.917 10.465) 19.050 1.507 ( -0.943 6.393 5.886) 8.741 1.665 ( -0.632 10.795 3.908) 11.498 1.941 ( -0.408 14.508 2.285) 14.692 1.981 ( 0.537 12.441 -3.444) 12.920 2.029 ( -0.684 9.598 3.184) 10.136 2.075 ( -0.276 7.746 -6.176) 9.911 2.205 ( 1.608 10.210 -4.615) 11.320 2.515 ( 0.118 3.437 1.261) 3.663 2.752 ( 0.372 1.873 -1.561) 2.466 2.860 ( -1.099 -1.869 -2.103) 3.021 2.899 ( 0.675 -1.605 0.235) 1.757 3.285 ( 0.105 34.371 -3.115) 34.512 4.494 ( 1.212 6.976 -23.002) 24.067 4.801 ( 0.774 8.634 -4.849) 9.932 5.078 ( 0.656 2.384 -10.223) 10.518 5.765 ( -1.431 19.081 18.751) 26.790 6.507 ( -0.609 12.994 18.448) 22.573 7.052 ( -1.367 16.496 15.467) 22.654 7.391 ( -1.671 -0.789 13.966) 14.087 8.464 ( -0.807 36.794 7.927) 37.647 9.442 ( -0.323 0.632 -1.672) 1.816 9.880 ( 0.125 7.864 -11.185) 13.673 10.127 ( 1.556 2.633 -13.729) 14.065 10.467 ( 0.675 -0.800 -5.582) 5.679 10.644 ( 0.940 1.501 -10.567) 10.715 11.649 ( 1.285 -19.224 -9.701) 21.571 11.697 ( -0.539 -8.529 -0.650) 8.571 12.456 ( -0.126 -15.221 5.336) 16.130 13.255 ( -1.100 -30.563 14.674) 33.921 13.982 ( 0.359 -34.179 -12.806) 36.501 15.175 ( 1.467 -21.700 -27.349) 34.943 17.359 ( -0.013 12.760 21.353) 24.875 17.464 ( -0.752 10.901 10.057) 14.851 17.913 ( 1.258 23.989 -1.460) 24.067 18.051 ( 0.253 19.105 0.772) 19.122 ======================= Grid point 369 (165/322) ======================= q-point: (-0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -0.359 12.181 16.968) 20.890 1.292 ( -0.228 15.067 5.633) 16.087 1.364 ( -0.642 17.917 2.913) 18.164 1.662 ( -0.944 12.857 5.533) 14.029 1.699 ( 0.340 14.869 -1.386) 14.938 1.834 ( -0.882 11.458 5.109) 12.577 1.924 ( 0.020 3.829 8.508) 9.330 2.090 ( -0.598 2.738 -13.079) 13.376 2.412 ( -0.048 11.431 4.927) 12.448 2.577 ( 0.659 9.602 -1.849) 9.801 2.831 ( -1.299 4.320 8.125) 9.293 2.898 ( -1.053 -1.777 -3.984) 4.487 2.971 ( 1.696 -0.586 -5.419) 5.708 4.439 ( 1.316 -0.870 -24.896) 24.946 4.653 ( 0.644 7.034 -2.043) 7.353 5.069 ( 1.087 1.911 -2.862) 3.609 5.294 ( -3.268 21.978 17.923) 28.547 6.194 ( -0.951 16.777 12.300) 20.824 6.653 ( -0.995 21.957 13.670) 25.884 7.335 ( 0.288 13.349 1.065) 13.395 7.815 ( -1.106 20.390 25.361) 32.560 9.460 ( -0.274 -1.998 -11.250) 11.430 9.692 ( 0.214 8.814 -15.583) 17.904 10.088 ( 1.344 1.038 -13.978) 14.081 10.550 ( 0.333 -5.762 -0.545) 5.797 10.695 ( 0.673 -6.266 -9.410) 11.325 11.738 ( -0.176 -2.271 -7.322) 7.668 12.227 ( 1.625 -31.756 -15.082) 35.193 12.722 ( -1.264 -10.622 16.213) 19.424 13.980 ( -0.777 -39.642 15.301) 42.500 14.639 ( 1.193 -29.614 -18.141) 34.749 15.595 ( 0.900 -20.941 -19.879) 28.888 17.050 ( -2.527 17.661 17.740) 25.160 17.151 ( -0.617 20.504 5.389) 21.209 17.382 ( 1.544 28.637 0.429) 28.682 17.637 ( 0.702 21.798 2.774) 21.985 ======================= Grid point 372 (166/322) ======================= q-point: ( 0.15 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 2.750 0.000 21.315) 21.491 0.783 ( -0.040 -0.000 8.131) 8.131 0.841 ( -0.766 -0.000 6.458) 6.503 1.274 ( -1.241 -0.000 0.614) 1.385 1.322 ( 1.155 0.000 -0.437) 1.235 1.611 ( -3.050 -0.000 26.421) 26.596 1.888 ( 0.293 0.000 13.925) 13.928 2.008 ( -1.931 -0.000 -17.470) 17.577 2.376 ( -2.840 -0.000 43.893) 43.985 2.553 ( 2.326 0.000 -3.349) 4.077 2.617 ( -1.051 -0.000 0.276) 1.087 2.923 ( -0.605 -0.000 -4.363) 4.404 3.019 ( 0.545 0.000 -6.112) 6.137 3.981 ( -7.957 -0.000 30.548) 31.567 4.665 ( 1.764 0.000 -27.904) 27.959 4.776 ( -1.479 -0.000 4.758) 4.983 5.302 ( 2.748 0.000 -16.587) 16.813 5.713 ( -3.216 -0.000 5.121) 6.047 6.055 ( -0.666 -0.000 9.207) 9.231 6.574 ( 0.244 0.000 -3.072) 3.081 7.756 ( 1.920 0.000 34.217) 34.271 9.432 ( -0.230 -0.000 -12.031) 12.033 9.572 ( -0.118 -0.000 -22.042) 22.042 10.118 ( 2.575 0.000 -16.905) 17.100 10.647 ( 0.431 0.000 1.359) 1.425 11.033 ( -0.764 -0.000 -12.554) 12.577 11.874 ( -0.638 -0.000 10.030) 10.050 12.801 ( -1.524 -0.000 32.569) 32.605 13.232 ( 1.561 0.000 -25.314) 25.362 15.080 ( 4.433 0.000 -24.406) 24.805 15.419 ( -1.486 -0.000 23.409) 23.456 16.156 ( -18.919 -0.000 12.761) 22.820 16.175 ( -6.135 -0.000 6.751) 9.123 16.533 ( 0.568 0.000 -9.797) 9.813 16.614 ( -1.923 -0.000 0.890) 2.119 16.956 ( 5.358 0.000 -10.077) 11.413 ======================= Grid point 373 (167/322) ======================= q-point: ( 0.23 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 2.602 -4.049 19.354) 19.944 0.969 ( 0.189 -15.825 6.040) 16.939 1.008 ( -0.718 -14.838 5.172) 15.730 1.395 ( -0.813 -11.334 1.274) 11.434 1.444 ( 0.853 -10.706 0.150) 10.741 1.629 ( -3.267 -4.226 21.942) 22.583 1.901 ( 0.477 -0.968 11.692) 11.741 2.007 ( -1.553 -1.147 -14.972) 15.096 2.253 ( -1.407 1.308 23.286) 23.365 2.562 ( 2.487 -0.053 -2.857) 3.788 2.738 ( -1.272 -5.329 7.402) 9.209 2.908 ( -0.480 1.111 -4.155) 4.328 3.007 ( 0.368 1.140 -5.837) 5.958 4.252 ( -6.302 -22.290 24.368) 33.621 4.585 ( 1.073 4.608 -24.713) 25.162 4.811 ( -2.625 -5.677 8.156) 10.278 5.234 ( 1.895 5.815 -14.939) 16.142 5.849 ( -3.124 -13.498 6.785) 15.427 6.243 ( -0.526 -17.161 10.734) 20.248 6.867 ( 1.295 -25.775 -5.158) 26.318 7.751 ( 1.184 1.631 34.690) 34.748 9.453 ( -0.134 -1.275 -12.212) 12.279 9.566 ( 0.465 -1.509 -19.327) 19.391 10.112 ( 2.790 1.030 -15.514) 15.797 10.631 ( 0.500 1.854 1.008) 2.169 10.887 ( -0.414 11.343 -7.582) 13.650 11.800 ( -0.026 4.737 0.931) 4.828 12.769 ( -0.951 10.949 12.917) 16.959 12.948 ( 1.194 19.205 -8.192) 20.913 14.796 ( 2.734 35.865 7.169) 36.676 15.135 ( 5.903 12.194 -13.941) 19.439 16.030 ( -0.268 20.322 -7.971) 21.831 16.374 ( -24.406 -19.196 17.921) 35.851 16.665 ( -0.202 -25.418 2.896) 25.583 16.844 ( -2.097 -22.692 0.277) 22.791 17.265 ( 3.129 -19.665 -3.836) 20.278 ======================= Grid point 374 (168/322) ======================= q-point: ( 0.31 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 1.316 -11.177 14.845) 18.629 1.310 ( 0.873 -15.182 5.437) 16.150 1.349 ( -0.981 -17.709 3.032) 17.994 1.649 ( -0.685 -12.730 5.448) 13.864 1.710 ( 0.546 -14.793 -1.187) 14.851 1.799 ( -1.969 -11.964 5.683) 13.391 1.943 ( 0.115 -3.160 1.985) 3.734 2.050 ( -0.446 -4.673 -6.385) 7.925 2.430 ( 0.596 -13.960 5.026) 14.849 2.606 ( 1.417 -6.579 -2.474) 7.170 2.809 ( -1.178 -4.041 8.283) 9.291 2.877 ( -0.161 1.672 -3.494) 3.877 2.984 ( 0.235 0.201 -5.387) 5.396 4.418 ( 0.407 0.489 -24.089) 24.098 4.656 ( -0.185 -7.591 -2.401) 7.963 5.067 ( -1.688 -6.221 3.639) 7.402 5.213 ( -3.688 -17.873 12.185) 21.943 6.161 ( -2.758 -17.059 10.931) 20.448 6.661 ( -0.285 -22.221 13.949) 26.238 7.395 ( 3.618 -15.361 -0.906) 15.807 7.823 ( -1.702 -16.823 27.803) 32.541 9.442 ( 0.457 1.182 -10.316) 10.394 9.680 ( 0.877 -9.099 -14.832) 17.422 10.110 ( 1.897 -0.688 -13.419) 13.570 10.556 ( 0.127 6.108 -0.596) 6.138 10.701 ( 1.008 5.004 -9.472) 10.759 11.734 ( 0.809 2.041 -6.896) 7.237 12.224 ( 0.158 31.550 -15.759) 35.267 12.729 ( -0.404 11.072 17.087) 20.365 14.004 ( 0.251 40.308 17.223) 43.834 14.734 ( 8.529 30.814 -21.804) 38.699 15.591 ( 1.361 20.832 -19.762) 28.746 16.783 ( -18.040 -26.050 25.082) 40.412 17.158 ( -0.318 -20.853 4.617) 21.361 17.380 ( -1.641 -28.532 -1.154) 28.603 17.674 ( 1.365 -20.211 1.608) 20.321 ======================= Grid point 375 (169/322) ======================= q-point: ( 0.38 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -0.027 -14.673 9.010) 17.218 1.523 ( 0.902 -5.781 5.800) 8.239 1.647 ( -0.673 -11.356 3.609) 11.935 1.916 ( -0.590 -13.252 -1.340) 13.333 2.000 ( 0.502 -12.675 -4.594) 13.491 2.026 ( -0.086 -9.910 0.384) 9.918 2.044 ( 0.000 -8.990 -0.955) 9.041 2.218 ( -0.416 -11.810 -2.012) 11.987 2.557 ( 1.389 -2.815 1.372) 3.426 2.746 ( -0.601 -1.842 -0.942) 2.154 2.842 ( 0.196 1.643 -2.325) 2.854 2.888 ( -0.647 1.244 0.141) 1.409 3.292 ( 0.597 -34.083 -2.891) 34.211 4.472 ( 0.841 -7.241 -23.555) 24.657 4.811 ( 0.340 -8.728 -5.236) 10.184 5.072 ( 0.381 -1.672 -10.083) 10.228 5.696 ( -3.970 -21.630 20.770) 30.249 6.474 ( -2.813 -13.804 16.389) 21.611 7.066 ( -0.110 -16.495 16.083) 23.038 7.440 ( 1.675 3.352 15.381) 15.831 8.448 ( -0.815 -36.485 7.201) 37.197 9.436 ( 0.281 -1.103 -1.296) 1.726 9.874 ( 0.969 -8.158 -10.665) 13.463 10.142 ( 0.849 -2.359 -13.722) 13.950 10.471 ( 0.188 1.136 -5.673) 5.789 10.671 ( 1.540 -2.025 -10.395) 10.702 11.662 ( 0.144 22.678 -10.125) 24.835 11.687 ( 0.547 4.710 -0.159) 4.744 12.459 ( -0.418 15.016 5.198) 15.896 13.272 ( -0.246 31.150 15.873) 34.962 14.060 ( 4.937 36.015 -15.502) 39.519 15.174 ( 2.021 21.548 -27.359) 34.884 17.197 ( -9.464 -18.725 24.690) 32.400 17.469 ( -0.715 -10.645 9.352) 14.188 17.910 ( -1.114 -23.979 -2.657) 24.151 18.074 ( 0.591 -18.580 0.627) 18.600 ======================= Grid point 376 (170/322) ======================= q-point: ( 0.46 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -0.728 -11.156 2.503) 11.457 1.596 ( 0.628 -2.039 2.631) 3.388 1.832 ( 0.148 -8.515 4.080) 9.443 2.073 ( 0.228 -4.287 -8.211) 9.266 2.176 ( 0.405 -5.383 -5.253) 7.532 2.267 ( -0.470 -13.539 2.058) 13.702 2.301 ( 0.493 -12.899 2.941) 13.240 2.460 ( -0.862 -11.603 -3.397) 12.121 2.635 ( 0.826 -4.528 1.746) 4.923 2.756 ( -0.379 -0.052 0.363) 0.528 2.816 ( 0.687 0.905 -0.613) 1.291 2.828 ( -1.110 3.791 0.267) 3.959 4.022 ( 0.583 -35.067 -6.430) 35.657 4.692 ( 0.932 -13.290 -12.662) 18.380 5.011 ( 0.040 -11.866 -7.282) 13.922 5.192 ( 0.751 -10.666 -11.247) 15.518 5.982 ( -1.752 -7.805 10.226) 12.983 6.628 ( -2.362 -0.453 19.654) 19.800 7.300 ( -0.299 -7.197 16.138) 17.673 7.437 ( 0.447 -3.036 11.313) 11.722 9.136 ( -0.385 -30.617 4.645) 30.970 9.503 ( -0.177 -5.518 5.861) 8.052 9.942 ( 0.093 -0.782 -0.899) 1.195 10.233 ( 0.562 -3.481 -12.937) 13.409 10.466 ( 0.917 -1.670 -9.424) 9.615 10.817 ( 0.535 -9.922 -4.453) 10.888 11.324 ( 0.109 10.611 -4.684) 11.599 11.500 ( -0.637 13.473 11.976) 18.037 12.144 ( -0.449 16.633 5.396) 17.492 12.855 ( 0.944 9.785 -7.864) 12.589 13.396 ( 2.387 29.405 -10.008) 31.153 14.718 ( 2.307 23.951 -32.117) 40.130 17.455 ( -5.139 -9.538 24.472) 26.763 17.610 ( -1.147 -4.133 15.059) 15.658 18.313 ( -0.406 -16.493 -4.097) 16.999 18.400 ( 0.278 -13.430 -2.219) 13.615 ======================= Grid point 377 (171/322) ======================= q-point: ( 0.54 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.442 -5.026 -2.526) 5.642 1.628 ( 0.481 -1.039 -1.172) 1.639 2.001 ( 0.210 -7.123 -0.627) 7.154 2.136 ( 1.316 -1.979 -4.522) 5.108 2.258 ( -0.621 -4.446 -0.315) 4.500 2.496 ( -0.369 -8.740 1.091) 8.816 2.525 ( 0.400 -8.690 1.811) 8.885 2.639 ( -1.137 -4.926 -4.181) 6.560 2.715 ( -0.005 -2.030 0.138) 2.035 2.743 ( -0.744 2.922 1.737) 3.479 2.763 ( 0.601 -1.371 0.909) 1.751 2.821 ( 0.313 -1.313 0.949) 1.650 4.623 ( 0.495 -23.800 -6.496) 24.676 4.925 ( 0.011 -8.999 -1.970) 9.212 5.337 ( 0.409 -20.470 -6.692) 21.540 5.461 ( 1.090 -14.644 -12.626) 19.366 6.029 ( -0.842 1.742 4.026) 4.466 6.495 ( -1.491 11.866 17.625) 21.299 7.418 ( -0.409 -4.465 12.624) 13.397 7.505 ( -0.368 -2.206 8.592) 8.878 9.614 ( -0.452 -13.949 5.704) 15.077 9.668 ( -0.179 -12.910 7.862) 15.117 10.014 ( -0.288 -7.189 4.614) 8.547 10.212 ( 0.496 2.550 -1.858) 3.194 10.497 ( -0.066 3.228 -3.129) 4.496 10.884 ( -0.382 7.299 9.287) 11.818 11.239 ( -0.317 0.114 1.532) 1.569 11.290 ( -0.175 2.249 0.891) 2.425 11.875 ( -0.833 6.257 7.264) 9.623 12.641 ( 1.969 18.895 -17.308) 25.700 13.100 ( 1.356 -4.031 -19.303) 19.766 14.227 ( 2.398 24.704 -35.195) 43.067 17.571 ( -3.221 -3.676 24.815) 25.292 17.654 ( -1.302 -0.705 19.755) 19.810 18.568 ( 0.204 -9.192 -5.235) 10.580 18.610 ( 0.090 -7.565 -4.475) 8.790 ======================= Grid point 378 (172/322) ======================= q-point: ( 0.62 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.029 -1.817 -4.413) 4.773 1.641 ( 0.434 -0.069 -3.823) 3.849 2.089 ( 0.112 -2.225 -4.500) 5.022 2.157 ( 0.846 0.060 -4.503) 4.583 2.386 ( 0.050 -7.676 4.185) 8.743 2.541 ( -1.161 5.756 2.824) 6.516 2.638 ( 0.546 -2.443 1.097) 2.733 2.653 ( -0.669 -2.013 0.353) 2.151 2.728 ( -0.550 -0.157 -0.437) 0.720 2.744 ( 0.406 -0.700 -1.493) 1.698 2.826 ( 0.356 -3.113 0.296) 3.147 2.849 ( 0.021 -0.475 0.685) 0.834 4.967 ( 0.418 -10.580 -3.517) 11.157 5.036 ( -0.165 -1.262 -1.810) 2.212 5.712 ( 0.607 -12.543 -10.053) 16.086 5.760 ( 1.069 -13.775 -9.130) 16.561 5.961 ( -0.854 1.174 6.297) 6.462 6.199 ( -0.963 16.792 14.082) 21.936 7.478 ( -0.241 -1.490 9.242) 9.365 7.525 ( -0.761 -0.219 7.942) 7.981 9.812 ( -0.658 -7.842 9.256) 12.149 9.866 ( -0.280 -3.484 7.655) 8.416 10.199 ( 0.339 -5.819 1.160) 5.944 10.236 ( -0.699 -10.349 13.406) 16.950 10.345 ( -0.863 7.997 5.147) 9.550 10.575 ( -0.844 19.466 14.705) 24.411 11.277 ( -0.182 -3.983 0.852) 4.078 11.324 ( 0.167 -0.478 -1.567) 1.647 11.928 ( -0.343 -9.688 -3.127) 10.186 12.247 ( 1.029 18.179 -9.797) 20.676 13.348 ( 2.083 -17.251 -31.957) 36.376 13.749 ( 2.311 22.398 -35.779) 42.275 17.614 ( -2.260 -1.538 24.666) 24.817 17.655 ( -1.209 0.283 22.940) 22.974 18.688 ( 0.551 -3.045 -5.824) 6.595 18.705 ( 0.066 -2.151 -5.654) 6.050 ======================= Grid point 379 (173/322) ======================= q-point: (-0.31 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.480 1.677 -4.384) 4.718 1.637 ( 0.082 -0.049 -3.747) 3.748 2.115 ( 0.769 -0.439 -4.843) 4.923 2.143 ( -0.697 1.413 -4.404) 4.678 2.376 ( -0.613 8.809 5.317) 10.308 2.529 ( 0.619 -5.005 2.455) 5.608 2.641 ( -0.328 2.876 0.450) 2.929 2.646 ( 0.967 2.276 0.894) 2.629 2.722 ( -0.319 0.815 -0.689) 1.113 2.749 ( 0.273 0.378 -0.960) 1.067 2.827 ( -0.287 2.297 0.565) 2.383 2.858 ( -0.136 -0.030 -0.092) 0.167 4.941 ( 0.306 10.628 -3.681) 11.252 5.058 ( 0.187 1.578 -1.665) 2.301 5.711 ( 0.682 11.375 -10.273) 15.342 5.762 ( 0.018 15.473 -7.246) 17.086 5.961 ( 0.141 -2.465 4.687) 5.298 6.200 ( -0.823 -16.253 13.857) 21.374 7.488 ( -0.756 0.323 8.178) 8.219 7.521 ( -0.478 0.810 9.104) 9.153 9.813 ( -0.509 7.682 9.147) 11.956 9.875 ( -0.824 2.740 7.922) 8.423 10.198 ( -0.604 7.639 1.359) 7.782 10.230 ( -1.013 8.303 12.490) 15.032 10.345 ( 0.318 -7.625 5.752) 9.556 10.575 ( -1.007 -18.844 14.495) 23.795 11.281 ( 0.063 3.833 0.669) 3.892 11.323 ( 0.030 0.254 -1.177) 1.204 11.945 ( 0.668 11.373 -4.067) 12.096 12.198 ( 0.463 -16.912 -8.263) 18.828 13.347 ( 2.018 17.250 -32.010) 36.418 13.749 ( 2.279 -22.307 -35.736) 42.189 17.637 ( -1.723 -0.846 23.399) 23.477 17.651 ( -1.058 0.159 24.107) 24.131 18.693 ( -0.035 2.831 -5.876) 6.522 18.698 ( 0.909 2.608 -5.431) 6.093 ======================= Grid point 380 (174/322) ======================= q-point: (-0.23 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 0.620 5.078 -2.495) 5.692 1.624 ( -0.312 1.162 -0.924) 1.516 2.027 ( -0.975 8.979 2.183) 9.292 2.133 ( -0.850 -0.173 -6.349) 6.408 2.239 ( 1.386 4.411 0.006) 4.623 2.493 ( 0.428 8.357 1.589) 8.518 2.515 ( -0.478 9.116 1.335) 9.225 2.624 ( 1.807 4.461 -4.031) 6.278 2.696 ( 0.842 2.110 1.797) 2.896 2.715 ( -0.219 0.620 0.100) 0.665 2.802 ( -0.705 -0.786 1.047) 1.487 2.843 ( -0.620 0.674 -0.180) 0.933 4.603 ( 0.814 23.412 -6.495) 24.310 4.935 ( 0.037 9.627 -1.767) 9.788 5.346 ( 0.258 20.284 -6.684) 21.359 5.461 ( 0.485 14.101 -11.850) 18.425 6.043 ( 0.100 -2.412 2.678) 3.605 6.490 ( -0.637 -11.894 17.505) 21.173 7.449 ( -2.168 4.298 12.696) 13.578 7.483 ( 0.014 2.766 8.466) 8.907 9.616 ( -0.374 12.824 6.308) 14.296 9.687 ( -1.261 13.735 7.809) 15.850 10.009 ( -0.167 6.880 4.102) 8.012 10.215 ( -0.474 -2.739 -1.075) 2.981 10.486 ( 0.869 -2.269 -3.923) 4.615 10.869 ( -0.454 -6.665 8.907) 11.134 11.237 ( 0.199 0.787 0.776) 1.123 11.305 ( -0.313 -3.340 1.659) 3.742 11.864 ( 0.148 -5.361 7.452) 9.181 12.584 ( 1.430 -19.448 -15.139) 24.687 13.096 ( 1.264 5.114 -19.650) 20.343 14.224 ( 2.168 -24.635 -35.214) 43.030 17.629 ( -1.302 1.855 23.898) 24.005 17.652 ( -1.199 0.465 20.320) 20.361 18.573 ( 0.244 9.084 -4.884) 10.316 18.598 ( 0.840 7.828 -4.306) 8.974 ======================= Grid point 381 (175/322) ======================= q-point: (-0.15 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 0.472 12.130 3.248) 12.566 1.586 ( -0.648 2.564 2.962) 3.971 1.836 ( -0.965 8.427 5.699) 10.218 2.107 ( -1.230 2.654 -8.561) 9.047 2.160 ( 1.618 5.506 -5.562) 7.992 2.271 ( 0.400 13.017 2.113) 13.194 2.284 ( -0.502 13.257 2.858) 13.571 2.452 ( 1.725 11.562 -3.283) 12.142 2.604 ( 0.175 5.246 1.192) 5.382 2.751 ( 0.680 -1.362 -0.191) 1.535 2.824 ( -1.246 -1.232 -0.125) 1.756 2.857 ( 0.093 -2.256 -0.139) 2.262 4.012 ( 0.701 34.792 -6.438) 35.390 4.701 ( 0.280 12.615 -11.880) 17.331 5.011 ( 0.875 12.703 -7.599) 14.828 5.202 ( 0.285 10.311 -11.092) 15.147 6.014 ( -0.802 6.235 8.679) 10.716 6.640 ( -0.632 -1.231 20.521) 20.567 7.302 ( -1.786 9.353 15.315) 18.034 7.416 ( -1.040 3.545 10.987) 11.591 9.153 ( -0.971 30.538 5.155) 30.986 9.504 ( -0.654 5.729 6.036) 8.348 9.944 ( -0.026 0.564 -0.884) 1.049 10.231 ( 1.192 4.416 -12.972) 13.755 10.453 ( 0.801 0.690 -9.317) 9.377 10.796 ( 0.970 10.486 -4.906) 11.617 11.320 ( 0.626 -10.647 -4.329) 11.511 11.505 ( -1.024 -12.722 10.860) 16.758 12.132 ( 0.206 -17.176 6.437) 18.343 12.840 ( 0.673 -10.543 -8.719) 13.698 13.342 ( 1.084 -27.371 -7.754) 28.468 14.716 ( 1.921 -23.961 -32.138) 40.133 17.551 ( -1.867 6.396 22.985) 23.931 17.610 ( -0.943 4.199 15.565) 16.149 18.321 ( 0.549 16.293 -3.290) 16.631 18.385 ( 0.673 13.713 -2.126) 13.893 ======================= Grid point 382 (176/322) ======================= q-point: (-0.08 0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.324 15.891 10.685) 19.152 1.504 ( -0.374 6.257 5.894) 8.604 1.661 ( -0.820 10.802 3.736) 11.459 1.937 ( -0.806 14.179 0.922) 14.232 1.985 ( 0.895 12.688 -2.995) 13.067 2.026 ( -0.495 10.049 3.977) 10.819 2.068 ( -0.726 7.121 -6.575) 9.719 2.215 ( 1.211 11.087 -4.016) 11.854 2.519 ( 0.930 3.288 1.056) 3.577 2.754 ( 0.273 1.917 -1.327) 2.348 2.851 ( -0.928 -1.914 -2.382) 3.194 2.901 ( -0.003 -1.403 0.483) 1.483 3.285 ( 0.283 34.309 -2.993) 34.441 4.490 ( 0.887 6.875 -23.149) 24.165 4.804 ( 0.797 8.699 -5.028) 10.079 5.077 ( 0.543 2.138 -10.265) 10.499 5.757 ( -2.808 19.416 18.998) 27.309 6.508 ( -1.619 13.210 18.269) 22.603 7.051 ( -0.914 16.447 15.585) 22.677 7.391 ( -0.236 -1.170 13.968) 14.019 8.461 ( -1.012 36.610 7.886) 37.463 9.439 ( -0.261 0.790 -1.680) 1.875 9.876 ( 0.247 8.042 -11.206) 13.795 10.133 ( 1.585 2.640 -13.616) 13.960 10.469 ( 0.604 -0.976 -5.499) 5.618 10.648 ( 1.404 1.723 -10.580) 10.811 11.654 ( 1.294 -18.595 -9.409) 20.880 11.692 ( -0.534 -9.152 -0.945) 9.216 12.458 ( -0.140 -15.017 5.144) 15.874 13.255 ( -0.647 -30.628 14.655) 33.960 13.986 ( 2.152 -34.073 -12.720) 36.434 15.173 ( 1.566 -21.652 -27.341) 34.912 17.353 ( -4.261 12.988 21.302) 25.310 17.465 ( -0.375 10.900 10.045) 14.828 17.920 ( 0.681 23.747 -1.452) 23.801 18.055 ( 0.629 19.083 0.790) 19.110 ======================= Grid point 386 (177/322) ======================= q-point: ( 0.23 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 3.624 0.000 19.268) 19.606 0.787 ( 0.012 0.000 7.724) 7.724 0.838 ( -0.809 -0.000 6.762) 6.810 1.265 ( -1.084 -0.000 0.893) 1.405 1.330 ( 0.941 0.000 -0.702) 1.174 1.601 ( -2.829 -0.000 25.850) 26.004 1.898 ( 0.433 0.000 12.930) 12.937 1.986 ( -1.307 -0.000 -15.832) 15.886 2.375 ( -2.838 -0.000 43.942) 44.033 2.564 ( 0.784 0.000 -3.331) 3.422 2.613 ( 0.224 0.000 0.765) 0.797 2.917 ( -0.397 -0.000 -4.263) 4.282 3.019 ( 0.254 0.000 -6.047) 6.053 3.931 ( -8.462 -0.000 32.534) 33.617 4.665 ( 1.806 0.000 -27.890) 27.948 4.768 ( -1.109 -0.000 4.227) 4.370 5.314 ( 2.388 0.000 -17.103) 17.269 5.688 ( -3.608 -0.000 4.657) 5.891 6.055 ( -0.641 -0.000 9.216) 9.238 6.574 ( 0.245 0.000 -3.069) 3.079 7.788 ( 1.702 0.000 34.432) 34.474 9.426 ( 0.106 0.000 -11.694) 11.694 9.562 ( 0.115 0.000 -20.612) 20.613 10.134 ( 3.529 0.000 -16.674) 17.044 10.651 ( 0.426 0.000 1.515) 1.574 11.022 ( -0.434 -0.000 -11.930) 11.938 11.874 ( -0.668 -0.000 10.017) 10.040 12.807 ( -1.080 -0.000 33.516) 33.534 13.232 ( 1.542 0.000 -25.318) 25.365 15.114 ( 6.738 0.000 -14.920) 16.371 15.419 ( -1.478 -0.000 23.419) 23.465 15.963 ( -26.152 -0.000 16.932) 31.154 16.176 ( 0.535 0.000 2.692) 2.745 16.533 ( 0.587 0.000 -9.786) 9.804 16.590 ( -3.883 -0.000 -0.920) 3.991 16.985 ( 3.507 0.000 -12.715) 13.190 ======================= Grid point 387 (178/322) ======================= q-point: ( 0.31 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 2.790 -3.469 17.357) 17.918 0.973 ( 0.127 -15.935 5.623) 16.898 1.005 ( -0.621 -14.771 5.527) 15.784 1.390 ( -0.609 -11.597 1.446) 11.702 1.451 ( 0.735 -10.622 -0.265) 10.651 1.616 ( -2.979 -3.905 22.093) 22.633 1.910 ( 0.337 -0.831 9.061) 9.105 1.991 ( -0.595 -1.422 -11.912) 12.011 2.254 ( -1.259 1.036 23.035) 23.093 2.578 ( 1.803 -0.061 -2.840) 3.365 2.733 ( -0.882 -5.342 7.720) 9.430 2.903 ( -0.264 1.072 -4.094) 4.240 3.006 ( 0.131 1.142 -5.812) 5.925 4.214 ( -6.443 -23.889 27.297) 36.842 4.579 ( 0.814 5.061 -25.250) 25.765 4.797 ( -1.793 -4.724 7.070) 8.690 5.241 ( 1.721 6.151 -15.217) 16.503 5.827 ( -3.139 -13.856 6.200) 15.501 6.245 ( -0.494 -17.316 10.778) 20.402 6.874 ( 1.209 -26.369 -5.276) 26.919 7.776 ( 0.631 2.216 35.019) 35.095 9.448 ( 0.423 -1.319 -11.792) 11.873 9.561 ( 0.685 -1.841 -18.231) 18.337 10.128 ( 3.210 1.326 -15.232) 15.623 10.636 ( 0.432 1.877 1.090) 2.213 10.881 ( -0.160 11.038 -7.416) 13.299 11.801 ( 0.178 4.651 0.876) 4.737 12.768 ( -0.894 12.306 11.455) 16.836 12.954 ( 1.185 18.122 -5.983) 19.121 14.820 ( 2.071 37.702 11.549) 39.486 15.188 ( 9.613 9.058 -16.520) 21.151 16.016 ( -3.660 11.717 -1.737) 12.397 16.193 ( -22.219 -11.659 15.520) 29.504 16.665 ( -0.281 -25.493 2.902) 25.659 16.822 ( -3.325 -23.425 -1.135) 23.687 17.284 ( 2.280 -19.370 -4.962) 20.125 ======================= Grid point 388 (179/322) ======================= q-point: ( 0.38 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.970 -10.475 13.438) 17.066 1.320 ( 1.006 -15.353 5.235) 16.252 1.343 ( -1.005 -17.693 3.168) 18.003 1.647 ( -0.448 -12.565 5.923) 13.898 1.714 ( 0.543 -14.728 -1.534) 14.818 1.788 ( -1.699 -12.525 5.566) 13.811 1.943 ( -0.066 -2.636 -1.204) 2.899 2.047 ( 0.266 -5.023 -2.927) 5.819 2.437 ( 0.436 -14.469 5.257) 15.400 2.614 ( 0.875 -5.684 -2.868) 6.426 2.806 ( -0.629 -4.058 8.252) 9.217 2.875 ( 0.110 1.435 -3.387) 3.680 2.982 ( -0.042 0.156 -5.249) 5.252 4.410 ( 0.579 0.358 -23.817) 23.827 4.652 ( -0.519 -8.242 -1.896) 8.474 5.053 ( -2.547 -9.775 8.347) 13.104 5.196 ( -1.787 -14.102 7.479) 16.062 6.145 ( -2.457 -17.235 10.284) 20.220 6.666 ( -0.296 -22.379 14.046) 26.424 7.422 ( 3.203 -16.375 -1.789) 16.781 7.823 ( -2.005 -15.501 28.924) 32.877 9.443 ( 0.881 1.049 -9.804) 9.900 9.680 ( 1.159 -9.273 -14.374) 17.145 10.117 ( 1.665 -0.146 -13.210) 13.316 10.556 ( -0.037 6.334 -0.694) 6.372 10.704 ( 1.013 4.580 -9.509) 10.603 11.738 ( 1.098 1.946 -6.981) 7.330 12.216 ( -0.136 31.454 -15.826) 35.211 12.735 ( -0.340 11.478 17.660) 21.065 14.014 ( -0.104 40.551 18.061) 44.391 14.793 ( 8.868 32.451 -24.301) 41.500 15.592 ( 1.533 20.810 -19.733) 28.720 16.657 ( -16.837 -30.219 28.905) 45.080 17.156 ( -0.600 -20.940 4.344) 21.395 17.364 ( -2.110 -28.824 -1.965) 28.968 17.684 ( 0.963 -19.906 1.268) 19.969 ======================= Grid point 389 (180/322) ======================= q-point: ( 0.46 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.427 -14.201 8.135) 16.372 1.533 ( 0.828 -5.628 5.708) 8.059 1.644 ( -0.399 -11.664 3.739) 12.255 1.912 ( -0.254 -13.026 -1.483) 13.113 1.999 ( -0.154 -12.199 -4.941) 13.163 2.028 ( 0.671 -9.602 -2.120) 9.856 2.046 ( 0.216 -10.433 1.559) 10.551 2.213 ( -0.701 -11.365 -1.540) 11.490 2.566 ( 0.635 -2.754 1.760) 3.330 2.742 ( -0.289 -1.858 -0.922) 2.094 2.841 ( -0.093 1.388 -2.118) 2.534 2.885 ( -0.093 1.545 -0.288) 1.574 3.295 ( 0.546 -34.045 -2.982) 34.179 4.468 ( 1.168 -7.500 -23.557) 24.750 4.810 ( 0.131 -8.677 -5.132) 10.082 5.070 ( 0.428 -1.733 -9.973) 10.132 5.678 ( -3.065 -22.150 21.230) 30.834 6.461 ( -2.432 -13.836 15.827) 21.163 7.073 ( -0.229 -16.548 16.180) 23.144 7.460 ( 1.128 3.835 15.941) 16.434 8.447 ( -0.535 -36.618 6.933) 37.273 9.438 ( 0.428 -1.077 -1.143) 1.628 9.877 ( 1.138 -8.045 -10.412) 13.207 10.141 ( 0.561 -2.235 -13.875) 14.065 10.469 ( 0.067 1.045 -5.818) 5.912 10.677 ( 1.179 -1.931 -10.307) 10.552 11.656 ( -0.179 22.658 -9.849) 24.707 11.693 ( 0.803 4.573 -0.436) 4.663 12.458 ( -0.504 15.235 5.432) 16.183 13.277 ( -0.484 31.278 16.342) 35.293 14.089 ( 4.207 37.008 -16.715) 40.825 15.177 ( 2.095 21.560 -27.385) 34.917 17.140 ( -7.847 -20.809 26.099) 34.289 17.467 ( -0.824 -10.642 9.100) 14.026 17.899 ( -1.249 -24.301 -3.122) 24.533 18.078 ( 0.280 -18.407 0.547) 18.417 ======================= Grid point 390 (181/322) ======================= q-point: ( 0.54 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -0.821 -11.015 2.105) 11.244 1.602 ( 0.567 -1.872 2.531) 3.199 1.836 ( 0.384 -8.650 3.805) 9.458 2.072 ( 0.581 -4.743 -7.682) 9.047 2.176 ( 0.364 -4.872 -5.538) 7.385 2.264 ( -0.426 -13.603 2.003) 13.756 2.306 ( 0.220 -12.836 2.887) 13.158 2.451 ( -1.143 -11.642 -3.280) 12.149 2.639 ( 0.033 -4.409 1.958) 4.824 2.755 ( 0.181 -0.206 0.450) 0.527 2.810 ( -1.485 2.189 -0.767) 2.754 2.831 ( 1.198 2.498 0.333) 2.790 4.023 ( 0.399 -34.975 -6.608) 35.596 4.694 ( 1.165 -13.377 -12.567) 18.392 5.007 ( -0.042 -11.868 -7.203) 13.882 5.194 ( 0.961 -10.773 -11.315) 15.653 5.975 ( -1.322 -8.018 10.531) 13.302 6.620 ( -2.307 -0.749 19.451) 19.602 7.307 ( -0.217 -7.102 16.092) 17.591 7.446 ( 0.269 -2.570 11.667) 11.949 9.136 ( -0.037 -30.618 4.569) 30.957 9.504 ( -0.109 -5.502 5.866) 8.044 9.943 ( 0.127 -0.705 -0.929) 1.173 10.230 ( 0.467 -3.638 -13.134) 13.637 10.468 ( 0.735 -1.667 -9.474) 9.647 10.818 ( 0.144 -9.872 -4.321) 10.777 11.322 ( 0.005 10.440 -4.748) 11.468 11.502 ( -0.540 13.786 12.363) 18.526 12.142 ( -0.722 16.559 5.193) 17.369 12.857 ( 0.739 9.770 -7.535) 12.360 13.407 ( 1.645 29.941 -10.709) 31.841 14.720 ( 2.303 23.989 -32.138) 40.170 17.432 ( -3.911 -10.322 24.972) 27.302 17.609 ( -1.186 -4.163 14.914) 15.530 18.308 ( -0.373 -16.750 -4.332) 17.305 18.400 ( 0.018 -13.334 -2.262) 13.525 ======================= Grid point 391 (182/322) ======================= q-point: ( 0.62 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -0.327 -5.157 -2.588) 5.779 1.631 ( 0.433 -0.925 -1.255) 1.618 2.004 ( 0.671 -6.793 -1.322) 6.953 2.145 ( 1.419 -2.120 -4.163) 4.882 2.251 ( -1.032 -4.630 0.001) 4.744 2.494 ( -0.353 -8.682 1.079) 8.756 2.528 ( 0.156 -8.763 1.749) 8.937 2.626 ( -1.372 -4.591 -3.909) 6.184 2.713 ( -0.336 -2.047 0.304) 2.097 2.736 ( -1.065 2.432 1.194) 2.911 2.769 ( 0.836 -1.542 0.863) 1.955 2.827 ( 0.872 -1.003 1.197) 1.789 4.622 ( 0.171 -23.879 -6.523) 24.755 4.925 ( 0.140 -8.805 -1.983) 9.027 5.338 ( 0.552 -20.616 -6.601) 21.654 5.463 ( 1.127 -14.670 -12.727) 19.454 6.025 ( -0.673 1.723 4.144) 4.538 6.492 ( -1.597 11.648 17.626) 21.187 7.423 ( 0.044 -4.362 12.552) 13.289 7.505 ( -0.643 -1.932 8.705) 8.940 9.613 ( -0.415 -13.861 5.684) 14.987 9.672 ( 0.131 -12.918 7.905) 15.146 10.013 ( -0.343 -7.187 4.535) 8.505 10.215 ( 0.563 2.327 -1.963) 3.096 10.494 ( -0.262 3.375 -3.183) 4.647 10.885 ( -0.615 7.225 9.491) 11.944 11.237 ( -0.343 0.204 1.564) 1.614 11.290 ( 0.042 2.136 0.890) 2.314 11.871 ( -1.050 6.345 7.412) 9.813 12.645 ( 1.121 18.904 -17.670) 25.901 13.101 ( 1.285 -3.924 -19.335) 19.771 14.228 ( 2.368 24.751 -35.223) 43.115 17.561 ( -2.356 -3.960 24.992) 25.414 17.653 ( -1.371 -0.801 19.714) 19.778 18.567 ( 0.242 -9.353 -5.366) 10.786 18.608 ( -0.055 -7.527 -4.476) 8.758 ======================= Grid point 392 (183/322) ======================= q-point: ( 0.69 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.154 -1.892 -4.396) 4.788 1.642 ( 0.357 -0.029 -3.869) 3.885 2.089 ( 0.432 -2.145 -4.601) 5.094 2.161 ( 0.695 0.404 -4.670) 4.739 2.388 ( -0.065 -8.123 4.589) 9.330 2.533 ( -1.235 5.779 2.631) 6.469 2.640 ( -0.248 -2.241 0.810) 2.396 2.650 ( -0.083 -2.717 0.639) 2.792 2.724 ( -0.138 -0.085 -0.500) 0.525 2.745 ( 0.076 -0.814 -1.461) 1.674 2.828 ( 0.269 -2.920 0.325) 2.951 2.850 ( 0.201 -0.247 0.742) 0.807 4.967 ( 0.011 -10.699 -3.389) 11.223 5.035 ( 0.156 -1.250 -1.971) 2.339 5.712 ( 0.599 -12.550 -9.805) 15.937 5.764 ( 1.090 -13.676 -9.421) 16.643 5.958 ( -0.843 1.138 6.375) 6.530 6.198 ( -0.942 16.675 14.095) 21.854 7.482 ( 0.092 -1.283 9.123) 9.213 7.522 ( -1.012 -0.292 8.070) 8.139 9.812 ( -0.657 -7.781 9.183) 12.054 9.869 ( -0.145 -3.370 7.755) 8.457 10.202 ( 0.244 -6.554 1.221) 6.671 10.238 ( -0.665 -9.454 13.262) 16.301 10.340 ( -0.895 7.895 5.030) 9.404 10.575 ( -0.845 19.464 14.912) 24.534 11.276 ( -0.127 -4.013 0.825) 4.099 11.325 ( 0.149 -0.493 -1.554) 1.637 11.925 ( -0.079 -9.827 -2.923) 10.253 12.247 ( 0.340 18.078 -10.058) 20.690 13.348 ( 2.079 -17.246 -31.959) 36.375 13.749 ( 2.300 22.429 -35.796) 42.305 17.611 ( -1.718 -1.631 24.687) 24.801 17.656 ( -1.452 0.162 22.957) 23.004 18.689 ( 0.428 -3.055 -5.988) 6.736 18.703 ( 0.164 -2.252 -5.523) 5.967 ======================= Grid point 393 (184/322) ======================= q-point: (-0.23 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.352 1.605 -4.410) 4.707 1.636 ( 0.162 0.006 -3.699) 3.703 2.117 ( 0.116 -0.948 -4.902) 4.994 2.137 ( -0.158 2.455 -4.025) 4.717 2.375 ( -0.346 8.279 4.811) 9.582 2.535 ( 0.696 -5.029 2.604) 5.705 2.637 ( -0.580 3.050 0.596) 3.162 2.655 ( 1.064 1.713 0.919) 2.216 2.720 ( 0.006 0.672 -0.802) 1.047 2.750 ( 0.031 0.358 -0.904) 0.973 2.825 ( -0.343 2.525 0.479) 2.593 2.857 ( -0.206 0.173 -0.091) 0.284 4.943 ( 0.652 10.572 -3.777) 11.246 5.057 ( -0.178 1.505 -1.525) 2.150 5.711 ( 0.741 11.387 -10.512) 15.515 5.758 ( 0.059 15.495 -7.128) 17.056 5.964 ( 0.062 -2.407 4.757) 5.332 6.200 ( -0.850 -16.381 13.856) 21.471 7.486 ( -0.788 0.743 8.502) 8.571 7.521 ( -0.526 0.552 8.785) 8.818 9.813 ( -0.540 7.748 9.193) 12.035 9.872 ( -0.864 2.884 7.840) 8.398 10.194 ( -0.517 6.514 1.276) 6.658 10.230 ( -0.789 9.574 12.728) 15.946 10.350 ( 0.104 -7.738 5.814) 9.679 10.575 ( -0.989 -18.866 14.290) 23.688 11.281 ( -0.025 3.788 0.665) 3.846 11.323 ( 0.053 0.283 -1.189) 1.223 11.947 ( 0.354 11.142 -4.211) 11.917 12.201 ( 1.174 -17.083 -8.090) 18.938 13.347 ( 2.031 17.252 -32.002) 36.413 13.749 ( 2.286 -22.282 -35.727) 42.168 17.636 ( -1.506 -0.863 23.462) 23.526 17.653 ( -1.601 0.092 24.009) 24.063 18.690 ( -0.002 2.867 -5.903) 6.562 18.703 ( 0.886 2.450 -5.376) 5.974 ======================= Grid point 394 (185/322) ======================= q-point: (-0.15 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.348 4.938 -2.468) 5.531 1.622 ( -0.145 1.260 -0.876) 1.542 2.020 ( -1.189 8.953 2.398) 9.345 2.125 ( -0.235 0.139 -6.406) 6.412 2.249 ( 1.156 4.169 -0.385) 4.343 2.497 ( 0.481 8.385 1.634) 8.556 2.512 ( -0.374 9.062 1.342) 9.169 2.636 ( 1.721 4.764 -4.209) 6.585 2.704 ( 0.774 3.666 0.999) 3.878 2.715 ( 0.314 -1.391 1.241) 1.891 2.795 ( -1.340 -0.740 0.891) 1.772 2.837 ( -0.663 0.707 -0.104) 0.975 4.607 ( 1.005 23.415 -6.466) 24.312 4.933 ( -0.112 9.667 -1.794) 9.833 5.344 ( 0.179 20.189 -6.764) 21.293 5.459 ( 0.574 14.190 -11.908) 18.533 6.044 ( -0.199 -2.316 2.815) 3.651 6.493 ( -0.687 -12.074 17.519) 21.287 7.438 ( -2.209 4.436 12.666) 13.601 7.488 ( 0.118 2.886 8.489) 8.967 9.616 ( -0.405 12.992 6.251) 14.423 9.680 ( -1.362 13.687 7.746) 15.786 10.010 ( -0.124 6.927 4.254) 8.130 10.211 ( -0.325 -2.891 -1.142) 3.125 10.491 ( 0.825 -2.323 -3.717) 4.460 10.871 ( -0.226 -6.824 8.799) 11.137 11.239 ( 0.155 0.734 0.842) 1.128 11.303 ( -0.494 -3.281 1.566) 3.669 11.869 ( 0.168 -5.440 7.291) 9.099 12.591 ( 2.259 -19.344 -15.195) 24.702 13.096 ( 1.317 5.013 -19.574) 20.249 14.224 ( 2.228 -24.608 -35.190) 42.998 17.627 ( -2.238 1.900 23.975) 24.154 17.652 ( -1.271 0.466 20.183) 20.228 18.572 ( 0.163 8.929 -4.882) 10.178 18.603 ( 0.874 7.848 -4.278) 8.981 ======================= Grid point 395 (186/322) ======================= q-point: (-0.08 0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 0.181 11.955 3.342) 12.415 1.584 ( -0.209 2.522 2.921) 3.864 1.832 ( -0.771 8.343 5.386) 9.960 2.094 ( -0.935 2.939 -8.794) 9.320 2.168 ( 1.143 5.694 -5.350) 7.896 2.274 ( -0.083 13.127 2.192) 13.309 2.283 ( 0.161 13.228 2.914) 13.546 2.462 ( 1.276 11.504 -3.405) 12.065 2.608 ( 0.651 5.115 1.244) 5.304 2.757 ( 0.709 -1.050 0.051) 1.268 2.814 ( -1.139 -1.312 -0.393) 1.781 2.855 ( -0.472 -2.516 0.004) 2.560 4.014 ( 0.783 34.938 -6.310) 35.512 4.697 ( 0.299 12.753 -12.179) 17.637 5.014 ( 0.696 12.458 -7.558) 14.587 5.198 ( 0.275 10.337 -11.088) 15.161 6.009 ( -1.377 6.533 8.912) 11.136 6.643 ( -1.172 -0.992 20.420) 20.477 7.297 ( -1.541 8.808 15.617) 17.996 7.416 ( -0.376 3.762 10.799) 11.441 9.148 ( -1.061 30.563 5.058) 30.997 9.502 ( -0.567 5.672 5.977) 8.259 9.943 ( -0.017 0.689 -0.862) 1.103 10.233 ( 1.057 3.999 -12.812) 13.463 10.456 ( 1.002 1.014 -9.326) 9.434 10.802 ( 1.123 10.341 -4.864) 11.483 11.323 ( 0.574 -10.755 -4.374) 11.625 11.503 ( -0.998 -12.717 10.892) 16.774 12.137 ( 0.211 -17.071 6.279) 18.191 12.842 ( 0.962 -10.323 -8.703) 13.536 13.350 ( 1.933 -27.595 -7.914) 28.772 14.715 ( 2.031 -23.931 -32.118) 40.105 17.540 ( -3.768 6.764 23.063) 24.328 17.611 ( -0.896 4.161 15.512) 16.085 18.322 ( 0.232 16.149 -3.357) 16.496 18.389 ( 0.765 13.711 -2.110) 13.893 ======================= Grid point 400 (187/322) ======================= q-point: ( 0.31 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 3.408 0.000 17.036) 17.373 0.790 ( -0.062 -0.000 7.273) 7.273 0.835 ( -0.756 -0.000 7.106) 7.146 1.258 ( -0.851 -0.000 1.145) 1.427 1.336 ( 0.681 0.000 -0.926) 1.149 1.593 ( -2.373 -0.000 25.338) 25.449 1.906 ( 0.289 0.000 10.427) 10.431 1.973 ( -0.216 -0.000 -12.798) 12.799 2.375 ( -2.831 -0.000 43.982) 44.073 2.563 ( -0.581 -0.000 -2.430) 2.498 2.621 ( 1.269 0.000 0.531) 1.375 2.913 ( -0.145 -0.000 -4.273) 4.275 3.017 ( 0.077 0.000 -5.951) 5.952 3.885 ( -7.437 -0.000 34.090) 34.891 4.665 ( 1.843 0.000 -27.873) 27.934 4.764 ( -0.637 -0.000 3.785) 3.838 5.321 ( 1.706 0.000 -17.478) 17.561 5.662 ( -3.229 -0.000 4.114) 5.230 6.054 ( -0.605 -0.000 9.225) 9.244 6.575 ( 0.235 0.000 -3.068) 3.077 7.816 ( 0.699 0.000 34.783) 34.790 9.423 ( 0.605 0.000 -11.112) 11.128 9.554 ( 0.515 0.000 -19.410) 19.416 10.156 ( 3.967 0.000 -16.456) 16.927 10.655 ( 0.347 0.000 1.537) 1.576 11.014 ( 0.169 0.000 -11.332) 11.333 11.873 ( -0.691 -0.000 10.003) 10.027 12.817 ( -0.862 -0.000 34.441) 34.452 13.231 ( 1.540 0.000 -25.316) 25.362 15.171 ( 8.572 0.000 -2.052) 8.815 15.419 ( -1.475 -0.000 23.422) 23.468 15.771 ( -23.855 -0.000 10.865) 26.213 16.182 ( 0.489 0.000 2.640) 2.685 16.533 ( 0.615 0.000 -9.773) 9.792 16.554 ( -4.998 -0.000 -2.701) 5.681 17.002 ( 2.621 0.000 -14.131) 14.372 ======================= Grid point 401 (188/322) ======================= q-point: ( 0.38 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 2.141 -2.872 15.386) 15.797 0.976 ( -0.134 -15.986 5.222) 16.817 1.004 ( -0.378 -14.781 5.886) 15.914 1.387 ( -0.397 -11.852 1.570) 11.962 1.456 ( 0.574 -10.638 -0.780) 10.682 1.606 ( -2.430 -3.553 22.396) 22.806 1.915 ( 0.152 -0.614 5.056) 5.096 1.986 ( 0.469 -1.698 -7.595) 7.796 2.256 ( -1.152 0.775 22.816) 22.858 2.587 ( 0.837 -0.147 -2.707) 2.838 2.732 ( -0.323 -5.311 7.943) 9.560 2.900 ( -0.007 1.045 -4.165) 4.294 3.004 ( -0.014 1.154 -5.721) 5.836 4.181 ( -5.440 -25.095 29.623) 39.203 4.572 ( 0.767 5.624 -25.620) 26.241 4.790 ( -0.886 -4.069 6.177) 7.449 5.246 ( 1.398 6.274 -15.416) 16.702 5.807 ( -2.563 -14.202 5.631) 15.491 6.246 ( -0.504 -17.459 10.805) 20.539 6.880 ( 0.976 -26.869 -5.323) 27.409 7.794 ( -0.480 2.676 35.354) 35.458 9.448 ( 1.054 -1.404 -11.212) 11.349 9.559 ( 0.967 -2.090 -17.414) 17.565 10.146 ( 3.130 1.792 -14.964) 15.392 10.639 ( 0.283 1.924 1.058) 2.214 10.878 ( 0.234 10.891 -7.222) 13.070 11.803 ( 0.334 4.471 0.705) 4.539 12.766 ( -0.801 13.875 9.767) 16.987 12.960 ( 1.008 16.949 -3.541) 17.344 14.838 ( 0.786 39.082 14.736) 41.775 15.269 ( 12.801 7.582 -20.243) 25.123 15.934 ( -19.002 -19.956 23.594) 36.277 16.085 ( -4.830 18.360 -5.283) 19.706 16.663 ( -0.601 -25.210 2.786) 25.370 16.793 ( -3.580 -24.442 -2.274) 24.808 17.297 ( 1.606 -19.224 -5.610) 20.090 ======================= Grid point 402 (189/322) ======================= q-point: ( 0.46 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.229 -9.830 12.187) 15.659 1.330 ( 0.613 -15.216 5.129) 16.069 1.337 ( -0.624 -18.038 3.204) 18.331 1.647 ( -0.214 -12.434 6.382) 13.978 1.717 ( 0.566 -14.586 -1.986) 14.732 1.778 ( -1.378 -12.993 5.564) 14.201 1.942 ( 0.127 -2.382 -3.042) 3.866 2.050 ( 0.650 -4.975 -0.882) 5.094 2.442 ( 0.140 -14.604 5.511) 15.609 2.617 ( 0.279 -5.198 -3.189) 6.105 2.808 ( -0.043 -4.015 8.099) 9.040 2.875 ( 0.353 1.086 -3.376) 3.564 2.979 ( -0.241 0.192 -5.066) 5.075 4.404 ( 0.972 0.276 -23.643) 23.664 4.646 ( -0.692 -8.965 -1.145) 9.065 5.037 ( -2.422 -11.891 11.107) 16.451 5.191 ( -0.202 -11.645 4.502) 12.486 6.133 ( -1.828 -17.390 9.763) 20.027 6.670 ( -0.436 -22.518 14.099) 26.571 7.442 ( 2.237 -17.190 -2.458) 17.508 7.821 ( -2.299 -14.603 29.797) 33.262 9.446 ( 1.248 1.053 -9.381) 9.522 9.683 ( 1.368 -9.447 -13.960) 16.911 10.122 ( 1.280 0.443 -13.069) 13.139 10.555 ( -0.170 6.547 -0.791) 6.596 10.707 ( 0.923 4.326 -9.559) 10.533 11.744 ( 1.247 1.871 -7.190) 7.534 12.207 ( -0.181 31.392 -15.768) 35.130 12.741 ( -0.449 11.878 18.176) 21.717 14.020 ( -0.622 40.696 18.655) 44.772 14.844 ( 7.172 34.354 -26.749) 44.127 15.595 ( 1.641 20.802 -19.729) 28.717 16.555 ( -12.269 -33.851 32.333) 48.392 17.153 ( -0.776 -21.122 4.057) 21.522 17.346 ( -2.015 -29.103 -2.540) 29.283 17.690 ( 0.459 -19.696 1.048) 19.729 ======================= Grid point 403 (190/322) ======================= q-point: ( 0.54 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -0.861 -13.872 7.435) 15.762 1.541 ( 0.462 -5.567 5.578) 7.894 1.644 ( -0.062 -11.901 3.949) 12.539 1.911 ( 0.137 -12.902 -1.276) 12.966 1.994 ( -0.363 -11.636 -4.990) 12.666 2.034 ( 1.254 -10.159 -2.915) 10.643 2.048 ( 0.082 -10.912 1.878) 11.073 2.206 ( -0.859 -10.739 -1.243) 10.845 2.568 ( -0.277 -2.704 2.115) 3.444 2.741 ( 0.199 -1.978 -0.929) 2.194 2.839 ( -0.241 1.320 -1.877) 2.307 2.886 ( 0.339 1.797 -0.759) 1.980 3.298 ( 0.408 -34.021 -3.121) 34.167 4.467 ( 1.575 -7.744 -23.473) 24.768 4.808 ( -0.047 -8.600 -4.959) 9.927 5.069 ( 0.534 -1.910 -9.869) 10.066 5.670 ( -1.771 -22.334 21.417) 30.994 6.452 ( -1.825 -13.785 15.507) 20.828 7.078 ( -0.515 -16.590 16.204) 23.197 7.473 ( 0.172 4.006 16.339) 16.824 8.447 ( -0.247 -36.802 6.748) 37.416 9.442 ( 0.490 -0.984 -1.030) 1.506 9.881 ( 1.209 -7.889 -10.200) 12.951 10.137 ( 0.355 -2.130 -14.046) 14.211 10.466 ( 0.017 0.905 -5.957) 6.025 10.679 ( 0.709 -1.761 -10.246) 10.421 11.649 ( -0.201 22.452 -9.834) 24.512 11.699 ( 0.763 4.655 -0.480) 4.741 12.457 ( -0.555 15.506 5.708) 16.532 13.280 ( -0.805 31.327 16.670) 35.495 14.108 ( 2.666 37.783 -17.621) 41.775 15.179 ( 2.080 21.594 -27.410) 34.956 17.103 ( -4.818 -22.212 27.119) 35.384 17.465 ( -0.829 -10.658 8.922) 13.924 17.888 ( -1.064 -24.628 -3.433) 24.889 18.079 ( -0.090 -18.279 0.488) 18.285 ======================= Grid point 404 (191/322) ======================= q-point: ( 0.62 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -0.788 -11.002 1.808) 11.178 1.607 ( 0.373 -1.763 2.447) 3.038 1.841 ( 0.468 -8.803 3.776) 9.590 2.074 ( 0.956 -5.079 -7.156) 8.827 2.176 ( 0.271 -4.250 -5.949) 7.317 2.262 ( -0.365 -13.612 1.946) 13.755 2.308 ( -0.097 -12.807 2.842) 13.119 2.440 ( -1.149 -11.706 -3.138) 12.174 2.638 ( -0.707 -4.334 2.090) 4.863 2.759 ( 0.490 -0.315 0.482) 0.756 2.799 ( -1.110 2.757 -0.657) 3.044 2.841 ( 1.180 1.877 0.146) 2.222 4.022 ( 0.213 -34.841 -6.798) 35.499 4.697 ( 1.290 -13.355 -12.353) 18.238 5.003 ( 0.001 -12.006 -7.169) 13.984 5.196 ( 1.117 -10.830 -11.359) 15.734 5.972 ( -0.729 -8.015 10.620) 13.325 6.612 ( -2.040 -0.833 19.375) 19.500 7.313 ( -0.326 -7.271 15.905) 17.491 7.453 ( -0.104 -2.180 12.009) 12.206 9.139 ( 0.240 -30.607 4.567) 30.947 9.507 ( -0.103 -5.517 5.901) 8.079 9.943 ( 0.145 -0.598 -0.962) 1.142 10.227 ( 0.453 -3.916 -13.346) 13.916 10.468 ( 0.539 -1.539 -9.510) 9.649 10.815 ( -0.219 -9.893 -4.251) 10.770 11.320 ( -0.025 10.264 -4.761) 11.315 11.504 ( -0.498 14.002 12.610) 18.849 12.138 ( -0.910 16.560 5.129) 17.361 12.859 ( 0.513 9.844 -7.310) 12.272 13.410 ( 0.634 30.233 -11.133) 32.224 14.722 ( 2.240 24.030 -32.163) 40.211 17.420 ( -2.145 -10.726 25.285) 27.549 17.607 ( -1.155 -4.184 14.835) 15.457 18.303 ( -0.202 -16.983 -4.466) 17.562 18.398 ( -0.220 -13.279 -2.292) 13.477 ======================= Grid point 405 (192/322) ======================= q-point: (-0.31 -0.69 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -0.115 -5.289 -2.632) 5.909 1.633 ( 0.319 -0.831 -1.313) 1.586 2.010 ( 1.001 -6.595 -1.741) 6.894 2.154 ( 1.437 -2.058 -4.069) 4.781 2.241 ( -1.388 -4.852 0.464) 5.068 2.492 ( -0.340 -8.626 1.094) 8.702 2.529 ( -0.092 -8.833 1.667) 8.989 2.614 ( -1.237 -4.228 -3.677) 5.738 2.710 ( -0.501 -2.497 0.542) 2.604 2.728 ( -1.099 1.942 0.748) 2.354 2.777 ( 0.939 -1.350 0.833) 1.844 2.835 ( 0.995 -0.696 1.199) 1.707 4.619 ( -0.101 -23.902 -6.554) 24.784 4.925 ( 0.256 -8.704 -1.968) 8.927 5.339 ( 0.660 -20.722 -6.505) 21.729 5.465 ( 1.082 -14.635 -12.736) 19.431 6.023 ( -0.396 1.787 4.085) 4.476 6.488 ( -1.595 11.450 17.617) 21.072 7.431 ( 0.328 -4.326 12.442) 13.176 7.503 ( -0.925 -1.667 8.848) 9.051 9.613 ( -0.372 -13.643 5.743) 14.807 9.678 ( 0.298 -13.030 7.944) 15.264 10.013 ( -0.384 -7.152 4.397) 8.404 10.219 ( 0.561 2.121 -1.970) 2.949 10.490 ( -0.377 3.423 -3.324) 4.786 10.884 ( -0.837 7.068 9.627) 11.972 11.235 ( -0.308 0.172 1.486) 1.527 11.292 ( 0.227 2.182 1.008) 2.414 11.866 ( -1.132 6.319 7.574) 9.929 12.641 ( 0.265 19.007 -17.752) 26.009 13.101 ( 1.199 -3.981 -19.412) 19.853 14.228 ( 2.314 24.786 -35.251) 43.155 17.560 ( -1.302 -4.026 25.078) 25.432 17.652 ( -1.416 -0.846 19.716) 19.785 18.566 ( 0.309 -9.471 -5.450) 10.931 18.605 ( -0.139 -7.545 -4.453) 8.762 ======================= Grid point 406 (193/322) ======================= q-point: (-0.23 -0.69 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 0.307 -1.940 -4.379) 4.800 1.643 ( 0.256 0.017 -3.897) 3.906 2.091 ( 0.698 -1.910 -4.691) 5.113 2.163 ( 0.490 0.662 -4.835) 4.905 2.389 ( -0.255 -8.646 5.097) 10.040 2.525 ( -1.023 5.751 2.431) 6.326 2.636 ( -0.675 -2.286 0.388) 2.415 2.651 ( 0.083 -3.119 1.005) 3.278 2.725 ( 0.362 -0.072 -0.590) 0.696 2.744 ( -0.217 -0.921 -1.332) 1.633 2.830 ( 0.133 -2.723 0.386) 2.753 2.852 ( 0.299 0.009 0.667) 0.731 4.963 ( -0.366 -10.798 -3.331) 11.306 5.036 ( 0.497 -1.278 -2.061) 2.475 5.712 ( 0.594 -12.423 -9.643) 15.737 5.767 ( 0.967 -13.800 -9.429) 16.742 5.955 ( -0.714 1.265 6.252) 6.418 6.198 ( -0.916 16.518 14.081) 21.725 7.488 ( 0.266 -0.973 8.928) 8.985 7.517 ( -1.150 -0.427 8.280) 8.370 9.811 ( -0.637 -7.703 9.120) 11.954 9.872 ( -0.096 -3.212 7.871) 8.502 10.204 ( 0.099 -7.558 1.511) 7.708 10.239 ( -0.646 -8.340 12.866) 15.346 10.336 ( -0.831 7.809 4.952) 9.284 10.576 ( -0.878 19.411 15.059) 24.583 11.276 ( -0.051 -4.024 0.789) 4.101 11.325 ( 0.112 -0.477 -1.504) 1.582 11.924 ( 0.258 -10.125 -2.850) 10.522 12.242 ( -0.291 17.844 -10.116) 20.514 13.348 ( 2.066 -17.243 -31.968) 36.380 13.749 ( 2.288 22.445 -35.805) 42.320 17.612 ( -1.124 -1.572 24.668) 24.744 17.655 ( -1.714 0.146 22.997) 23.061 18.689 ( 0.298 -2.927 -6.099) 6.771 18.703 ( 0.297 -2.500 -5.420) 5.977 ======================= Grid point 407 (194/322) ======================= q-point: (-0.15 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 0.194 1.580 -4.442) 4.718 1.636 ( 0.275 0.051 -3.667) 3.678 2.112 ( -0.624 -0.056 -4.684) 4.725 2.137 ( 0.628 2.067 -4.002) 4.548 2.376 ( -0.112 7.786 4.355) 8.922 2.542 ( 0.643 -5.161 2.773) 5.894 2.633 ( -0.532 2.971 0.616) 3.080 2.662 ( 0.592 1.359 1.021) 1.800 2.721 ( 0.446 0.663 -1.022) 1.297 2.748 ( -0.204 0.248 -0.762) 0.827 2.822 ( -0.309 2.865 0.372) 2.906 2.855 ( -0.260 0.357 -0.010) 0.442 4.947 ( 0.900 10.531 -3.844) 11.247 5.054 ( -0.454 1.410 -1.426) 2.056 5.712 ( 0.770 11.525 -10.681) 15.733 5.756 ( 0.190 15.330 -7.235) 16.953 5.967 ( -0.107 -2.221 4.988) 5.461 6.200 ( -0.891 -16.538 13.883) 21.611 7.484 ( -0.933 1.181 8.882) 9.009 7.522 ( -0.413 0.298 8.392) 8.407 9.813 ( -0.581 7.804 9.246) 12.113 9.870 ( -0.829 3.096 7.754) 8.390 10.191 ( -0.273 5.785 1.331) 5.942 10.230 ( -0.657 10.454 12.882) 16.603 10.353 ( -0.174 -7.875 5.766) 9.762 10.574 ( -0.969 -18.974 14.171) 23.702 11.281 ( -0.112 3.780 0.694) 3.844 11.323 ( 0.080 0.325 -1.248) 1.292 11.947 ( 0.016 10.768 -4.188) 11.554 12.208 ( 1.745 -17.347 -8.169) 19.254 13.347 ( 2.046 17.255 -31.991) 36.406 13.749 ( 2.296 -22.276 -35.725) 42.164 17.637 ( -1.431 -0.613 23.646) 23.697 17.651 ( -1.982 0.014 23.814) 23.896 18.687 ( 0.117 2.851 -5.873) 6.529 18.706 ( 0.737 2.352 -5.409) 5.944 ======================= Grid point 408 (195/322) ======================= q-point: (-0.08 0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.011 4.859 -2.444) 5.439 1.621 ( 0.096 1.291 -0.898) 1.575 2.012 ( -1.097 8.581 1.989) 8.877 2.123 ( 0.332 0.663 -6.117) 6.162 2.257 ( 0.771 4.097 -0.578) 4.209 2.501 ( 0.132 8.571 1.479) 8.698 2.511 ( 0.088 8.853 1.524) 8.984 2.646 ( 1.251 5.012 -4.413) 6.794 2.707 ( 0.170 3.791 0.008) 3.794 2.723 ( 1.360 -2.103 2.569) 3.588 2.783 ( -1.692 -0.606 0.754) 1.949 2.832 ( -0.748 0.816 0.063) 1.109 4.612 ( 1.069 23.470 -6.454) 24.365 4.931 ( -0.194 9.604 -1.836) 9.780 5.342 ( 0.150 20.159 -6.803) 21.277 5.458 ( 0.703 14.316 -12.056) 18.729 6.042 ( -0.501 -2.165 3.081) 3.799 6.496 ( -0.841 -12.173 17.547) 21.372 7.428 ( -1.972 4.589 12.678) 13.627 7.493 ( 0.122 2.823 8.474) 8.933 9.616 ( -0.438 13.261 6.130) 14.616 9.674 ( -1.253 13.530 7.728) 15.632 10.011 ( -0.124 7.003 4.414) 8.279 10.209 ( -0.086 -2.941 -1.287) 3.211 10.495 ( 0.656 -2.501 -3.490) 4.344 10.874 ( -0.091 -7.002 8.788) 11.237 11.240 ( 0.049 0.576 0.984) 1.141 11.299 ( -0.573 -3.097 1.412) 3.451 11.873 ( 0.037 -5.615 7.174) 9.110 12.603 ( 2.800 -19.221 -15.545) 24.878 13.097 ( 1.361 4.815 -19.482) 20.115 14.224 ( 2.296 -24.602 -35.173) 42.985 17.618 ( -3.140 2.241 24.158) 24.464 17.652 ( -1.220 0.447 20.019) 20.061 18.571 ( 0.152 8.871 -4.916) 10.143 18.607 ( 0.738 7.808 -4.305) 8.947 ======================= Grid point 414 (196/322) ======================= q-point: ( 0.38 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 2.234 0.000 15.112) 15.276 0.792 ( -0.287 -0.000 6.919) 6.925 0.834 ( -0.577 -0.000 7.372) 7.395 1.253 ( -0.554 -0.000 1.347) 1.456 1.340 ( 0.391 0.000 -1.093) 1.161 1.589 ( -1.870 -0.000 25.024) 25.094 1.912 ( 0.159 0.000 6.818) 6.820 1.970 ( 0.828 0.000 -8.887) 8.925 2.375 ( -2.819 -0.000 44.004) 44.094 2.557 ( -0.515 -0.000 -1.825) 1.896 2.630 ( 0.962 0.000 0.555) 1.110 2.911 ( 0.212 0.000 -4.412) 4.417 3.014 ( -0.054 -0.000 -5.829) 5.830 3.851 ( -5.368 -0.000 35.043) 35.452 4.666 ( 1.867 0.000 -27.857) 27.920 4.762 ( -0.270 -0.000 3.528) 3.539 5.323 ( 0.973 0.000 -17.667) 17.694 5.643 ( -2.156 -0.000 3.609) 4.204 6.054 ( -0.565 -0.000 9.232) 9.249 6.575 ( 0.217 0.000 -3.069) 3.077 7.833 ( -0.814 -0.000 35.135) 35.144 9.424 ( 1.079 0.000 -10.388) 10.444 9.551 ( 1.141 0.000 -18.705) 18.739 10.178 ( 3.677 0.000 -16.277) 16.687 10.658 ( 0.197 0.000 1.399) 1.413 11.013 ( 0.892 0.000 -10.873) 10.909 11.873 ( -0.703 -0.000 9.991) 10.016 12.828 ( -0.933 -0.000 35.154) 35.166 13.230 ( 1.557 0.000 -25.307) 25.355 15.245 ( 9.013 0.000 17.008) 19.248 15.419 ( -1.477 -0.000 23.418) 23.465 15.604 ( -18.513 -0.000 -4.158) 18.974 16.187 ( 0.365 0.000 2.642) 2.667 16.512 ( -4.984 -0.000 -4.103) 6.456 16.533 ( 0.646 0.000 -9.761) 9.782 17.013 ( 1.983 0.000 -14.834) 14.966 ======================= Grid point 415 (197/322) ======================= q-point: ( 0.46 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.810 -2.380 13.860) 14.086 0.976 ( -0.484 -15.920 5.089) 16.721 1.005 ( -0.090 -14.912 6.007) 16.077 1.386 ( -0.179 -12.059 1.645) 12.172 1.459 ( 0.348 -10.735 -1.303) 10.819 1.600 ( -1.764 -3.245 22.797) 23.095 1.918 ( 0.208 -0.456 2.245) 2.300 1.989 ( 1.158 -1.841 -4.666) 5.148 2.259 ( -1.119 0.587 22.702) 22.738 2.589 ( -0.015 -0.229 -2.601) 2.611 2.735 ( 0.087 -5.301 8.081) 9.665 2.899 ( 0.367 1.055 -4.359) 4.500 3.000 ( -0.141 1.167 -5.591) 5.714 4.160 ( -3.611 -25.767 31.044) 40.505 4.566 ( 0.916 6.133 -25.740) 26.476 4.789 ( -0.173 -3.763 5.599) 6.748 5.247 ( 1.073 6.179 -15.526) 16.745 5.793 ( -1.534 -14.437 5.202) 15.422 6.247 ( -0.549 -17.558 10.813) 20.628 6.884 ( 0.676 -27.209 -5.317) 27.732 7.803 ( -1.923 2.957 35.587) 35.761 9.453 ( 1.581 -1.525 -10.576) 10.802 9.559 ( 1.344 -2.175 -17.046) 17.236 10.161 ( 2.517 2.294 -14.769) 15.156 10.641 ( 0.066 1.987 0.913) 2.188 10.877 ( 0.670 10.932 -7.036) 13.018 11.807 ( 0.410 4.238 0.452) 4.281 12.765 ( -0.640 15.308 8.256) 17.404 12.965 ( 0.638 15.944 -1.428) 16.020 14.847 ( -0.481 39.671 16.275) 42.883 15.361 ( 12.644 10.104 -28.447) 32.729 15.794 ( -17.475 -30.678 37.786) 51.714 16.070 ( 0.337 25.015 -10.521) 27.140 16.658 ( -0.947 -24.723 2.403) 24.858 16.766 ( -2.861 -25.612 -2.749) 25.917 17.304 ( 0.904 -19.121 -5.936) 20.041 ======================= Grid point 416 (198/322) ======================= q-point: ( 0.54 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -0.774 -9.378 11.364) 14.755 1.328 ( -1.050 -16.481 4.216) 17.044 1.342 ( 0.920 -16.985 4.057) 17.487 1.650 ( -0.040 -12.390 6.678) 14.075 1.720 ( 0.546 -14.382 -2.497) 14.607 1.772 ( -0.947 -13.283 5.824) 14.535 1.942 ( 0.411 -2.294 -3.247) 3.996 2.055 ( 0.804 -4.692 -0.621) 4.801 2.445 ( -0.265 -14.366 5.777) 15.487 2.616 ( -0.147 -5.207 -3.481) 6.265 2.813 ( 0.376 -3.920 7.967) 8.887 2.877 ( 0.618 0.726 -3.509) 3.637 2.974 ( -0.416 0.301 -4.888) 4.915 4.401 ( 1.498 0.265 -23.615) 23.664 4.641 ( -0.623 -9.525 -0.383) 9.553 5.027 ( -1.648 -12.139 11.486) 16.793 5.197 ( 0.951 -11.122 3.845) 11.806 6.127 ( -1.001 -17.479 9.470) 19.904 6.673 ( -0.667 -22.607 14.102) 26.653 7.454 ( 0.897 -17.520 -2.739) 17.756 7.817 ( -2.507 -14.411 30.191) 33.548 9.452 ( 1.483 1.197 -9.121) 9.318 9.687 ( 1.490 -9.587 -13.680) 16.771 10.124 ( 0.798 0.937 -13.035) 13.093 10.553 ( -0.236 6.710 -0.860) 6.769 10.709 ( 0.733 4.285 -9.622) 10.559 11.750 ( 1.216 1.834 -7.481) 7.798 12.198 ( 0.057 31.383 -15.588) 35.041 12.746 ( -0.727 12.178 18.516) 22.174 14.023 ( -1.174 40.738 18.937) 44.939 14.874 ( 3.569 35.666 -28.358) 45.705 15.598 ( 1.657 20.824 -19.740) 28.741 16.503 ( -4.970 -35.906 34.467) 50.019 17.149 ( -0.751 -21.385 3.783) 21.730 17.331 ( -1.462 -29.273 -2.754) 29.438 17.692 ( -0.124 -19.569 0.949) 19.592 ======================= Grid point 417 (199/322) ======================= q-point: (-0.38 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -1.250 -13.758 7.058) 15.514 1.545 ( -0.105 -5.677 5.454) 7.873 1.647 ( 0.256 -11.946 4.189) 12.662 1.913 ( 0.490 -12.955 -0.666) 12.981 1.989 ( -0.174 -11.342 -5.067) 12.423 2.043 ( 1.250 -11.162 -1.937) 11.397 2.049 ( 0.050 -10.373 0.314) 10.378 2.198 ( -0.885 -10.053 -1.216) 10.165 2.564 ( -1.030 -2.681 2.320) 3.692 2.744 ( 0.502 -2.131 -1.010) 2.411 2.837 ( 0.091 1.470 -1.594) 2.170 2.888 ( 0.400 1.898 -1.155) 2.257 3.298 ( 0.215 -34.018 -3.274) 34.176 4.469 ( 1.960 -7.916 -23.327) 24.712 4.805 ( -0.157 -8.511 -4.760) 9.753 5.069 ( 0.674 -2.163 -9.788) 10.047 5.672 ( -0.392 -22.161 21.296) 30.738 6.449 ( -1.099 -13.664 15.485) 20.681 7.081 ( -0.902 -16.616 16.150) 23.188 7.478 ( -0.989 3.843 16.489) 16.959 8.449 ( -0.017 -36.993 6.701) 37.595 9.445 ( 0.457 -0.846 -0.978) 1.372 9.885 ( 1.171 -7.722 -10.077) 12.749 10.133 ( 0.260 -2.066 -14.202) 14.354 10.463 ( 0.059 0.741 -6.060) 6.105 10.678 ( 0.218 -1.554 -10.230) 10.350 11.643 ( -0.045 22.263 -9.959) 24.388 11.704 ( 0.574 4.786 -0.392) 4.836 12.455 ( -0.567 15.759 5.957) 16.857 13.281 ( -1.143 31.294 16.801) 35.538 14.112 ( 0.681 38.114 -18.012) 42.161 15.182 ( 1.984 21.637 -27.420) 34.985 17.093 ( -1.028 -22.600 27.524) 35.628 17.463 ( -0.733 -10.677 8.847) 13.885 17.879 ( -0.616 -24.887 -3.529) 25.143 18.077 ( -0.455 -18.218 0.460) 18.229 ======================= Grid point 418 (200/322) ======================= q-point: (-0.31 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -0.632 -11.119 1.669) 11.261 1.610 ( 0.082 -1.735 2.400) 2.962 1.846 ( 0.352 -8.953 4.034) 9.826 2.080 ( 1.386 -5.248 -6.734) 8.649 2.174 ( 0.048 -3.624 -6.412) 7.366 2.261 ( -0.284 -13.550 1.868) 13.682 2.307 ( -0.394 -12.817 2.829) 13.131 2.430 ( -0.909 -11.804 -3.002) 12.214 2.631 ( -1.098 -4.347 2.098) 4.950 2.761 ( -0.089 0.091 0.127) 0.180 2.794 ( 0.146 2.589 -0.189) 2.600 2.849 ( 0.901 1.551 -0.040) 1.794 4.019 ( 0.077 -34.695 -6.957) 35.385 4.701 ( 1.277 -13.222 -12.066) 17.945 5.000 ( 0.158 -12.253 -7.194) 14.210 5.199 ( 1.179 -10.827 -11.369) 15.744 5.974 ( -0.114 -7.799 10.472) 13.057 6.607 ( -1.627 -0.708 19.441) 19.521 7.317 ( -0.548 -7.646 15.603) 17.385 7.456 ( -0.623 -1.952 12.277) 12.447 9.144 ( 0.390 -30.585 4.643) 30.938 9.509 ( -0.158 -5.564 5.960) 8.155 9.944 ( 0.143 -0.482 -0.992) 1.112 10.224 ( 0.531 -4.264 -13.529) 14.195 10.467 ( 0.358 -1.298 -9.519) 9.614 10.810 ( -0.473 -9.990 -4.261) 10.871 11.317 ( 0.012 10.126 -4.729) 11.175 11.507 ( -0.513 14.070 12.667) 18.939 12.134 ( -0.971 16.636 5.218) 17.462 12.858 ( 0.289 9.990 -7.240) 12.342 13.406 ( -0.393 30.210 -11.184) 32.216 14.723 ( 2.137 24.063 -32.184) 40.242 17.424 ( -0.241 -10.657 25.345) 27.495 17.605 ( -1.060 -4.182 14.841) 15.456 18.300 ( 0.071 -17.143 -4.473) 17.717 18.394 ( -0.390 -13.274 -2.303) 13.478 ======================= Grid point 419 (201/322) ======================= q-point: (-0.23 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.151 -5.399 -2.649) 6.015 1.635 ( 0.161 -0.771 -1.333) 1.549 2.017 ( 1.123 -6.571 -1.817) 6.909 2.163 ( 1.341 -1.677 -4.430) 4.923 2.230 ( -1.613 -5.198 1.174) 5.568 2.490 ( -0.315 -8.574 1.135) 8.654 2.529 ( -0.287 -8.900 1.588) 9.045 2.604 ( -0.788 -3.917 -3.545) 5.341 2.705 ( -0.881 -2.770 0.934) 3.053 2.721 ( -0.563 1.243 0.235) 1.385 2.785 ( 0.904 -0.967 0.873) 1.586 2.843 ( 0.815 -0.510 1.026) 1.406 4.615 ( -0.250 -23.863 -6.585) 24.756 4.927 ( 0.350 -8.722 -1.926) 8.939 5.342 ( 0.704 -20.768 -6.425) 21.750 5.467 ( 0.961 -14.539 -12.646) 19.293 6.023 ( -0.076 1.916 3.861) 4.311 6.485 ( -1.488 11.317 17.600) 20.978 7.440 ( 0.417 -4.382 12.293) 13.057 7.499 ( -1.178 -1.449 9.006) 9.198 9.613 ( -0.334 -13.376 5.857) 14.606 9.684 ( 0.289 -13.185 7.983) 15.416 10.012 ( -0.408 -7.094 4.232) 8.270 10.222 ( 0.474 1.978 -1.870) 2.763 10.485 ( -0.367 3.358 -3.528) 4.885 10.881 ( -1.007 6.870 9.665) 11.900 11.234 ( -0.228 0.040 1.336) 1.356 11.295 ( 0.347 2.356 1.194) 2.664 11.861 ( -1.066 6.188 7.713) 9.946 12.632 ( -0.420 19.174 -17.542) 25.991 13.100 ( 1.129 -4.185 -19.512) 19.988 14.229 ( 2.247 24.801 -35.273) 43.178 17.566 ( -0.310 -3.864 25.053) 25.351 17.651 ( -1.422 -0.822 19.762) 19.830 18.566 ( 0.410 -9.523 -5.455) 10.983 18.601 ( -0.163 -7.608 -4.430) 8.806 ======================= Grid point 420 (202/322) ======================= q-point: (-0.15 -0.62 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.452 -1.950 -4.367) 4.804 1.643 ( 0.152 0.062 -3.903) 3.906 2.095 ( 0.886 -1.571 -4.754) 5.085 2.163 ( 0.235 0.783 -4.968) 5.035 2.389 ( -0.512 -9.124 5.592) 10.714 2.520 ( -0.618 5.644 2.268) 6.114 2.631 ( -0.509 -2.372 0.278) 2.442 2.652 ( -0.129 -3.286 1.009) 3.440 2.729 ( 0.676 -0.212 -0.688) 0.987 2.740 ( -0.392 -0.939 -1.138) 1.526 2.831 ( 0.003 -2.533 0.462) 2.575 2.855 ( 0.293 0.219 0.505) 0.624 4.958 ( -0.588 -10.831 -3.342) 11.350 5.040 ( 0.761 -1.366 -2.075) 2.598 5.712 ( 0.582 -12.203 -9.587) 15.530 5.769 ( 0.735 -14.109 -9.149) 16.832 5.953 ( -0.495 1.528 5.942) 6.155 6.198 ( -0.886 16.361 14.044) 21.580 7.494 ( 0.079 -0.445 8.522) 8.534 7.513 ( -0.973 -0.777 8.701) 8.790 9.811 ( -0.598 -7.631 9.083) 11.879 9.875 ( -0.156 -3.038 7.968) 8.529 10.205 ( -0.060 -8.590 1.921) 8.802 10.240 ( -0.745 -7.268 12.321) 14.324 10.333 ( -0.602 7.754 4.958) 9.223 10.577 ( -0.931 19.314 15.120) 24.546 11.276 ( 0.032 -4.018 0.760) 4.089 11.325 ( 0.071 -0.428 -1.430) 1.494 11.926 ( 0.591 -10.517 -2.926) 10.932 12.233 ( -0.729 17.532 -9.957) 20.175 13.348 ( 2.047 -17.244 -31.981) 36.391 13.749 ( 2.277 22.443 -35.803) 42.317 17.618 ( -0.622 -1.376 24.610) 24.656 17.652 ( -1.930 0.240 23.055) 23.137 18.688 ( 0.328 -2.776 -6.044) 6.659 18.702 ( 0.298 -2.753 -5.459) 6.121 ======================= Grid point 421 (203/322) ======================= q-point: (-0.08 0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 0.049 1.595 -4.449) 4.726 1.636 ( 0.386 0.087 -3.678) 3.699 2.104 ( -0.722 1.039 -4.462) 4.638 2.141 ( 0.905 1.332 -4.115) 4.419 2.378 ( 0.042 7.440 4.034) 8.464 2.548 ( 0.361 -5.376 2.936) 6.136 2.630 ( -0.282 2.864 0.646) 2.950 2.665 ( -0.029 1.147 0.971) 1.503 2.726 ( 0.807 0.740 -1.231) 1.647 2.746 ( -0.442 0.103 -0.589) 0.744 2.821 ( -0.131 3.186 0.296) 3.203 2.853 ( -0.291 0.504 0.133) 0.597 4.953 ( 1.009 10.503 -3.859) 11.235 5.049 ( -0.584 1.328 -1.401) 2.017 5.712 ( 0.751 11.779 -10.721) 15.945 5.754 ( 0.403 14.990 -7.558) 16.792 5.968 ( -0.329 -1.945 5.327) 5.681 6.200 ( -0.932 -16.691 13.932) 21.761 7.481 ( -1.015 1.494 9.174) 9.350 7.523 ( -0.301 0.148 8.072) 8.079 9.813 ( -0.615 7.843 9.294) 12.177 9.867 ( -0.739 3.314 7.673) 8.391 10.191 ( 0.015 5.407 1.374) 5.579 10.232 ( -0.623 10.939 13.038) 17.030 10.353 ( -0.436 -7.996 5.635) 9.792 10.574 ( -0.943 -19.132 14.171) 23.827 11.280 ( -0.176 3.812 0.751) 3.890 11.323 ( 0.110 0.366 -1.345) 1.398 11.943 ( -0.271 10.345 -4.012) 11.100 12.219 ( 2.038 -17.652 -8.470) 19.684 13.347 ( 2.061 17.258 -31.979) 36.398 13.749 ( 2.306 -22.290 -35.731) 42.177 17.636 ( -1.983 0.210 24.187) 24.269 17.648 ( -1.653 -0.421 23.287) 23.349 18.686 ( 0.278 2.850 -5.815) 6.481 18.709 ( 0.518 2.271 -5.499) 5.972 ======================= Grid point 428 (204/322) ======================= q-point: ( 0.46 0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.371 0.000 13.863) 13.868 0.792 ( -0.598 -0.000 6.846) 6.872 0.834 ( -0.327 -0.000 7.398) 7.406 1.250 ( -0.209 -0.000 1.480) 1.495 1.341 ( 0.088 0.000 -1.193) 1.197 1.589 ( -1.425 -0.000 24.968) 25.009 1.917 ( 0.143 0.000 5.028) 5.030 1.975 ( 1.549 0.000 -7.083) 7.250 2.375 ( -2.806 -0.000 44.004) 44.093 2.554 ( 0.028 0.000 -1.861) 1.861 2.635 ( 0.217 0.000 0.986) 1.009 2.912 ( 0.720 0.000 -4.646) 4.701 3.010 ( -0.206 -0.000 -5.706) 5.710 3.837 ( -2.797 -0.000 35.468) 35.578 4.666 ( 1.873 0.000 -27.846) 27.909 4.762 ( -0.053 -0.000 3.488) 3.488 5.319 ( 0.386 0.000 -17.677) 17.682 5.633 ( -0.646 -0.000 3.240) 3.304 6.055 ( -0.531 -0.000 9.236) 9.251 6.575 ( 0.194 0.000 -3.073) 3.079 7.838 ( -2.569 -0.000 35.324) 35.417 9.429 ( 1.371 0.000 -9.706) 9.802 9.553 ( 1.961 0.000 -18.554) 18.658 10.195 ( 2.705 0.000 -16.186) 16.410 10.659 ( -0.031 -0.000 1.130) 1.130 11.017 ( 1.570 0.000 -10.629) 10.744 11.872 ( -0.701 -0.000 9.982) 10.007 12.837 ( -1.292 -0.000 35.518) 35.542 13.230 ( 1.588 0.000 -25.295) 25.345 15.316 ( 2.114 0.000 50.113) 50.158 15.419 ( -1.484 -0.000 23.408) 23.455 15.492 ( -4.722 -0.000 -35.408) 35.721 16.190 ( 0.227 0.000 2.676) 2.686 16.474 ( -3.823 -0.000 -4.852) 6.177 16.533 ( 0.672 0.000 -9.752) 9.775 17.017 ( 1.112 0.000 -15.123) 15.164 ======================= Grid point 429 (205/322) ======================= q-point: (-0.46 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -0.930 -2.078 13.083) 13.280 0.974 ( -0.724 -15.819 5.258) 16.686 1.008 ( 0.059 -15.078 5.846) 16.172 1.386 ( 0.046 -12.181 1.679) 12.296 1.460 ( 0.051 -10.851 -1.677) 10.980 1.601 ( -1.084 -3.073 23.146) 23.375 1.921 ( 0.220 -0.388 2.276) 2.319 1.998 ( 1.625 -1.829 -4.810) 5.396 2.261 ( -1.178 0.520 22.746) 22.782 2.585 ( -0.639 -0.229 -2.693) 2.777 2.741 ( 0.215 -5.376 8.199) 9.807 2.902 ( 0.903 1.110 -4.602) 4.819 2.996 ( -0.306 1.175 -5.470) 5.603 4.156 ( -1.410 -25.911 31.515) 40.823 4.561 ( 1.203 6.475 -25.627) 26.459 4.792 ( 0.307 -3.764 5.367) 6.562 5.247 ( 0.820 5.886 -15.542) 16.639 5.789 ( -0.259 -14.483 5.004) 15.325 6.248 ( -0.619 -17.595 10.803) 20.656 6.885 ( 0.347 -27.354 -5.289) 27.863 7.800 ( -3.452 3.031 35.636) 35.930 9.461 ( 1.864 -1.704 -9.993) 10.307 9.563 ( 1.801 -2.018 -17.190) 17.401 10.169 ( 1.506 2.695 -14.710) 15.031 10.641 ( -0.198 2.040 0.688) 2.162 10.881 ( 1.046 11.155 -6.891) 13.154 11.810 ( 0.391 4.006 0.178) 4.029 12.765 ( -0.427 16.315 7.256) 17.861 12.968 ( 0.124 15.293 -0.101) 15.294 14.847 ( -1.532 39.647 16.492) 42.967 15.408 ( 1.446 14.286 -37.538) 40.190 15.737 ( -0.149 -35.412 47.799) 59.488 16.071 ( 1.245 25.509 -10.980) 27.800 16.651 ( -0.921 -24.277 1.817) 24.362 16.746 ( -1.624 -26.611 -2.445) 26.772 17.305 ( 0.037 -19.076 -6.012) 20.001 ======================= Grid point 430 (206/322) ======================= q-point: (-0.38 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -1.837 -9.216 11.140) 14.575 1.321 ( -1.146 -16.574 4.318) 17.165 1.351 ( 0.815 -17.061 3.922) 17.525 1.653 ( 0.041 -12.442 6.745) 14.153 1.722 ( 0.264 -14.231 -2.847) 14.516 1.770 ( -0.204 -13.319 6.196) 14.692 1.945 ( 0.434 -2.280 -2.023) 3.078 2.062 ( 0.980 -4.297 -1.976) 4.830 2.444 ( -0.712 -13.820 6.013) 15.088 2.611 ( -0.421 -5.678 -3.757) 6.821 2.821 ( 0.538 -3.910 8.042) 8.959 2.882 ( 0.986 0.534 -3.834) 3.995 2.967 ( -0.599 0.455 -4.771) 4.830 4.403 ( 2.042 0.330 -23.749) 23.839 4.637 ( -0.356 -9.721 0.132) 9.728 5.023 ( -0.743 -11.128 10.213) 15.123 5.210 ( 1.827 -12.085 4.954) 13.188 6.127 ( -0.108 -17.478 9.465) 19.877 6.673 ( -0.940 -22.624 14.061) 26.654 7.453 ( -0.652 -17.205 -2.540) 17.404 7.812 ( -2.537 -15.058 29.972) 33.638 9.460 ( 1.537 1.454 -9.068) 9.311 9.693 ( 1.522 -9.656 -13.601) 16.750 10.122 ( 0.298 1.218 -13.128) 13.188 10.550 ( -0.229 6.791 -0.887) 6.852 10.709 ( 0.484 4.456 -9.686) 10.673 11.755 ( 1.013 1.848 -7.780) 8.060 12.193 ( 0.532 31.425 -15.316) 34.963 12.748 ( -1.114 12.308 18.601) 22.332 14.021 ( -1.680 40.688 18.897) 44.893 14.870 ( -0.720 35.634 -28.409) 45.578 15.601 ( 1.583 20.881 -19.749) 28.785 16.514 ( 3.264 -35.554 34.510) 49.656 17.145 ( -0.471 -21.615 3.631) 21.923 17.321 ( -0.657 -29.335 -2.625) 29.459 17.689 ( -0.746 -19.553 0.973) 19.591 ======================= Grid point 431 (207/322) ======================= q-point: (-0.31 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -1.504 -13.890 7.077) 15.662 1.544 ( -0.717 -5.943 5.400) 8.062 1.652 ( 0.443 -11.780 4.380) 12.576 1.918 ( 0.693 -13.232 0.323) 13.254 1.987 ( 0.114 -11.179 -5.226) 12.341 2.047 ( -0.390 -11.663 2.807) 12.002 2.054 ( 1.472 -9.857 -4.931) 11.119 2.191 ( -0.731 -9.401 -1.578) 9.560 2.555 ( -1.468 -2.725 2.346) 3.884 2.747 ( 0.456 -2.204 -1.227) 2.564 2.839 ( 0.764 1.677 -1.151) 2.173 2.890 ( 0.219 1.903 -1.499) 2.432 3.298 ( 0.018 -34.048 -3.400) 34.217 4.474 ( 2.228 -7.971 -23.160) 24.595 4.801 ( -0.167 -8.435 -4.587) 9.603 5.070 ( 0.811 -2.427 -9.754) 10.084 5.684 ( 0.771 -21.682 20.905) 30.128 6.451 ( -0.356 -13.491 15.772) 20.757 7.080 ( -1.311 -16.624 16.023) 23.126 7.474 ( -2.147 3.374 16.353) 16.835 8.453 ( 0.108 -37.149 6.810) 37.768 9.448 ( 0.344 -0.692 -1.000) 1.264 9.889 ( 1.030 -7.573 -10.081) 12.651 10.128 ( 0.290 -2.063 -14.304) 14.455 10.461 ( 0.183 0.587 -6.106) 6.137 10.672 ( -0.194 -1.355 -10.258) 10.349 11.639 ( 0.229 22.047 -10.103) 24.253 11.707 ( 0.313 5.029 -0.269) 5.046 12.454 ( -0.539 15.931 6.113) 17.072 13.279 ( -1.452 31.192 16.715) 35.418 14.101 ( -1.227 37.915 -17.800) 41.903 15.183 ( 1.841 21.679 -27.413) 34.998 17.114 ( 2.648 -21.870 27.220) 35.018 17.463 ( -0.577 -10.682 8.896) 13.913 17.875 ( -0.011 -25.029 -3.403) 25.259 18.073 ( -0.745 -18.241 0.470) 18.262 ======================= Grid point 432 (208/322) ======================= q-point: (-0.23 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -0.373 -11.339 1.707) 11.473 1.611 ( -0.267 -1.800 2.414) 3.023 1.850 ( 0.050 -9.059 4.517) 10.123 2.090 ( 1.834 -5.266 -6.435) 8.515 2.170 ( -0.306 -3.085 -6.868) 7.536 2.260 ( -0.178 -13.426 1.772) 13.544 2.304 ( -0.614 -12.859 2.851) 13.186 2.423 ( -0.462 -11.916 -2.910) 12.275 2.623 ( -1.156 -4.448 1.985) 5.007 2.758 ( -0.670 0.933 -0.405) 1.218 2.800 ( 1.232 1.996 0.484) 2.395 2.854 ( 0.528 1.307 -0.278) 1.437 4.016 ( 0.029 -34.569 -7.048) 35.280 4.705 ( 1.145 -13.016 -11.769) 17.586 4.998 ( 0.386 -12.544 -7.270) 14.504 5.203 ( 1.134 -10.766 -11.345) 15.681 5.980 ( 0.381 -7.424 10.123) 12.559 6.606 ( -1.144 -0.406 19.627) 19.665 7.320 ( -0.811 -8.150 15.252) 17.312 7.455 ( -1.206 -1.922 12.418) 12.623 9.150 ( 0.386 -30.557 4.777) 30.930 9.510 ( -0.263 -5.633 6.031) 8.256 9.945 ( 0.122 -0.378 -1.013) 1.088 10.222 ( 0.691 -4.621 -13.645) 14.423 10.464 ( 0.214 -0.983 -9.496) 9.549 10.804 ( -0.556 -10.149 -4.347) 11.055 11.315 ( 0.101 10.056 -4.660) 11.084 11.509 ( -0.575 13.981 12.528) 18.782 12.129 ( -0.893 16.768 5.437) 17.650 12.856 ( 0.090 10.188 -7.344) 12.559 13.394 ( -1.171 29.868 -10.845) 31.797 14.723 ( 2.020 24.082 -32.198) 40.258 17.441 ( 1.360 -10.130 25.138) 27.137 17.605 ( -0.932 -4.155 14.933) 15.528 18.300 ( 0.391 -17.203 -4.353) 17.749 18.390 ( -0.453 -13.317 -2.298) 13.521 ======================= Grid point 433 (209/322) ======================= q-point: (-0.15 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.419 -5.461 -2.638) 6.079 1.635 ( -0.015 -0.758 -1.309) 1.512 2.025 ( 0.995 -6.771 -1.502) 7.007 2.170 ( 0.891 -0.781 -5.478) 5.604 2.218 ( -1.389 -5.825 2.256) 6.399 2.488 ( -0.251 -8.523 1.199) 8.610 2.527 ( -0.407 -8.967 1.521) 9.104 2.598 ( -0.137 -3.725 -3.525) 5.130 2.698 ( -1.002 -2.496 1.202) 2.946 2.719 ( -0.122 0.168 -0.072) 0.220 2.792 ( 0.800 -0.520 0.947) 1.345 2.848 ( 0.481 -0.433 0.760) 0.998 4.609 ( -0.235 -23.775 -6.604) 24.677 4.929 ( 0.409 -8.852 -1.870) 9.057 5.344 ( 0.679 -20.748 -6.386) 21.719 5.468 ( 0.795 -14.399 -12.474) 19.067 6.026 ( 0.210 2.081 3.530) 4.103 6.482 ( -1.301 11.275 17.578) 20.924 7.449 ( 0.318 -4.527 12.144) 12.964 7.494 ( -1.371 -1.313 9.138) 9.334 9.614 ( -0.310 -13.125 5.995) 14.432 9.690 ( 0.107 -13.344 8.010) 15.564 10.011 ( -0.408 -7.024 4.078) 8.132 10.224 ( 0.281 1.945 -1.680) 2.585 10.481 ( -0.200 3.177 -3.758) 4.925 10.878 ( -1.091 6.684 9.605) 11.753 11.233 ( -0.120 -0.156 1.162) 1.178 11.298 ( 0.378 2.605 1.390) 2.976 11.858 ( -0.869 5.981 7.799) 9.867 12.618 ( -0.783 19.350 -17.088) 25.827 13.099 ( 1.097 -4.471 -19.607) 20.140 14.228 ( 2.184 24.794 -35.282) 43.178 17.579 ( 0.380 -3.516 24.925) 25.174 17.650 ( -1.381 -0.728 19.840) 19.902 18.567 ( 0.534 -9.520 -5.370) 10.943 18.598 ( -0.126 -7.684 -4.422) 8.867 ======================= Grid point 434 (210/322) ======================= q-point: (-0.08 -0.54 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.556 -1.921 -4.361) 4.798 1.641 ( 0.070 0.095 -3.884) 3.886 2.100 ( 0.989 -1.167 -4.786) 5.024 2.162 ( -0.062 0.701 -5.026) 5.075 2.387 ( -0.761 -9.424 5.924) 11.158 2.518 ( -0.162 5.460 2.196) 5.888 2.629 ( -0.094 -2.364 0.266) 2.381 2.650 ( -0.289 -3.353 0.919) 3.489 2.733 ( 0.137 -0.996 -0.875) 1.333 2.738 ( 0.135 -0.306 -0.850) 0.914 2.831 ( -0.097 -2.371 0.532) 2.432 2.857 ( 0.209 0.332 0.314) 0.502 4.951 ( -0.593 -10.809 -3.398) 11.346 5.046 ( 0.872 -1.478 -2.030) 2.658 5.711 ( 0.573 -11.939 -9.642) 15.357 5.770 ( 0.464 -14.522 -8.656) 16.913 5.953 ( -0.243 1.856 5.520) 5.829 6.198 ( -0.856 16.238 13.992) 21.452 7.496 ( -0.644 0.175 7.933) 7.961 7.512 ( -0.301 -1.257 9.302) 9.392 9.811 ( -0.554 -7.589 9.075) 11.843 9.877 ( -0.311 -2.873 8.022) 8.527 10.205 ( -0.213 -9.330 2.192) 9.587 10.239 ( -0.986 -6.513 11.871) 13.576 10.332 ( -0.214 7.694 5.094) 9.230 10.577 ( -0.982 19.182 15.081) 24.420 11.277 ( 0.103 -3.995 0.738) 4.063 11.325 ( 0.036 -0.359 -1.347) 1.395 11.930 ( 0.838 -10.917 -3.141) 11.391 12.221 ( -0.877 17.218 -9.605) 19.735 13.348 ( 2.028 -17.246 -31.995) 36.404 13.749 ( 2.271 22.422 -35.791) 42.295 17.627 ( -0.333 -1.093 24.523) 24.550 17.648 ( -2.046 0.427 23.121) 23.215 18.689 ( 0.490 -2.668 -5.886) 6.481 18.701 ( 0.194 -2.920 -5.579) 6.300 ======================= Grid point 442 (211/322) ======================= q-point: (-0.46 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( -1.796 -0.000 13.489) 13.608 0.790 ( -0.854 -0.000 7.080) 7.131 0.836 ( -0.133 -0.000 7.169) 7.170 1.251 ( 0.159 0.000 1.534) 1.542 1.340 ( -0.213 -0.000 -1.222) 1.241 1.591 ( -1.071 -0.000 25.151) 25.174 1.920 ( -0.144 -0.000 6.287) 6.289 1.986 ( 2.232 0.000 -8.599) 8.883 2.375 ( -2.795 -0.000 43.980) 44.069 2.555 ( 0.372 0.000 -2.485) 2.513 2.635 ( -0.406 -0.000 1.654) 1.703 2.918 ( 1.342 0.000 -4.901) 5.081 3.005 ( -0.403 -0.000 -5.612) 5.627 3.843 ( -0.178 -0.000 35.448) 35.448 4.667 ( 1.859 0.000 -27.842) 27.904 4.764 ( 0.080 0.000 3.660) 3.661 5.312 ( 0.047 0.000 -17.540) 17.541 5.636 ( 0.936 0.000 3.077) 3.216 6.055 ( -0.511 -0.000 9.236) 9.250 6.575 ( 0.172 0.000 -3.078) 3.083 7.828 ( -4.296 -0.000 35.257) 35.518 9.435 ( 1.462 0.000 -9.292) 9.407 9.563 ( 2.764 0.000 -18.854) 19.056 10.203 ( 1.318 0.000 -16.241) 16.294 10.659 ( -0.314 -0.000 0.811) 0.870 11.027 ( 2.062 0.000 -10.647) 10.844 11.872 ( -0.685 -0.000 9.980) 10.003 12.843 ( -1.864 -0.000 35.464) 35.513 13.230 ( 1.627 0.000 -25.281) 25.334 15.295 ( -10.111 -0.000 35.108) 36.535 15.420 ( -1.495 -0.000 23.394) 23.442 15.529 ( 15.070 0.000 -20.463) 25.414 16.193 ( 0.175 0.000 2.759) 2.765 16.449 ( -1.774 -0.000 -4.806) 5.123 16.534 ( 0.688 0.000 -9.749) 9.774 17.014 ( -0.208 -0.000 -15.078) 15.080 ======================= Grid point 443 (212/322) ======================= q-point: (-0.38 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -2.723 -2.012 13.191) 13.619 0.971 ( -0.828 -15.754 5.542) 16.721 1.011 ( 0.063 -15.197 5.572) 16.186 1.388 ( 0.273 -12.202 1.686) 12.321 1.458 ( -0.290 -10.917 -1.779) 11.065 1.606 ( -0.474 -3.106 23.293) 23.504 1.923 ( -0.191 -0.398 4.584) 4.605 2.010 ( 2.196 -1.691 -7.438) 7.937 2.263 ( -1.318 0.585 22.944) 22.989 2.576 ( -1.161 -0.167 -2.957) 3.181 2.747 ( 0.154 -5.495 8.228) 9.896 2.909 ( 1.542 1.189 -4.790) 5.170 2.990 ( -0.510 1.178 -5.395) 5.546 4.169 ( 0.708 -25.563 31.044) 40.220 4.559 ( 1.560 6.606 -25.358) 26.251 4.799 ( 0.629 -4.022 5.500) 6.842 5.245 ( 0.649 5.435 -15.452) 16.393 5.794 ( 1.007 -14.326 5.074) 15.231 6.249 ( -0.702 -17.563 10.781) 20.620 6.884 ( 0.003 -27.282 -5.262) 27.785 7.785 ( -4.789 2.880 35.485) 35.922 9.471 ( 1.855 -1.937 -9.602) 9.970 9.570 ( 2.224 -1.611 -17.787) 17.998 10.169 ( 0.349 2.901 -14.830) 15.116 10.638 ( -0.460 2.056 0.441) 2.153 10.887 ( 1.286 11.519 -6.812) 13.444 11.813 ( 0.280 3.829 -0.047) 3.839 12.766 ( -0.235 16.702 6.974) 18.101 12.967 ( -0.401 15.107 0.161) 15.114 14.840 ( -2.377 39.172 15.619) 42.238 15.356 ( -7.931 10.345 -28.684) 31.507 15.829 ( 15.255 -29.318 38.205) 50.517 16.079 ( 2.145 24.726 -10.340) 26.887 16.647 ( -0.270 -24.105 1.517) 24.154 16.738 ( -0.389 -27.118 -1.780) 27.179 17.298 ( -1.028 -19.167 -5.829) 20.060 ======================= Grid point 444 (213/322) ======================= q-point: (-0.31 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -2.717 -9.381 11.555) 15.130 1.315 ( -1.176 -16.397 4.557) 17.059 1.359 ( 0.593 -17.323 3.686) 17.721 1.657 ( 0.051 -12.543 6.645) 14.194 1.721 ( -0.285 -14.261 -2.639) 14.506 1.776 ( 0.798 -13.090 6.178) 14.496 1.946 ( 0.019 -2.329 0.326) 2.352 2.069 ( 1.337 -3.828 -4.605) 6.136 2.440 ( -1.104 -13.083 6.153) 14.500 2.605 ( -0.662 -6.493 -3.916) 7.611 2.829 ( 0.406 -4.108 8.287) 9.259 2.889 ( 1.511 0.641 -4.236) 4.543 2.959 ( -0.779 0.620 -4.759) 4.862 4.409 ( 2.480 0.455 -24.017) 24.149 4.635 ( -0.019 -9.504 0.263) 9.508 5.025 ( 0.049 -9.467 7.979) 12.381 5.230 ( 2.412 -13.925 7.180) 15.852 6.134 ( 0.707 -17.387 9.764) 19.954 6.672 ( -1.203 -22.566 13.989) 26.577 7.441 ( -2.192 -16.330 -1.893) 16.584 7.808 ( -2.339 -16.404 29.171) 33.549 9.467 ( 1.396 1.765 -9.236) 9.506 9.697 ( 1.453 -9.626 -13.750) 16.848 10.115 ( -0.113 1.222 -13.331) 13.388 10.548 ( -0.166 6.761 -0.870) 6.819 10.707 ( 0.255 4.803 -9.723) 10.848 11.758 ( 0.690 1.917 -8.001) 8.257 12.191 ( 1.119 31.497 -15.021) 34.913 12.747 ( -1.510 12.238 18.410) 22.158 14.015 ( -2.089 40.559 18.546) 44.647 14.836 ( -4.037 34.433 -26.964) 43.920 15.603 ( 1.443 20.954 -19.762) 28.838 16.585 ( 10.124 -32.973 32.491) 47.385 17.145 ( -0.042 -21.658 3.708) 21.973 17.318 ( 0.234 -29.353 -2.257) 29.441 17.681 ( -1.332 -19.696 1.126) 19.773 ======================= Grid point 445 (214/322) ======================= q-point: (-0.23 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -1.549 -14.245 7.481) 16.164 1.539 ( -1.220 -6.236 5.451) 8.372 1.658 ( 0.436 -11.504 4.463) 12.347 1.924 ( 0.714 -13.672 1.489) 13.771 1.986 ( 0.270 -11.197 -5.269) 12.378 2.044 ( -0.524 -10.680 2.114) 10.900 2.063 ( 1.369 -10.369 -4.603) 11.427 2.186 ( -0.336 -8.867 -2.382) 9.188 2.544 ( -1.610 -2.857 2.229) 3.965 2.749 ( 0.234 -2.141 -1.524) 2.639 2.848 ( 1.428 1.819 -0.554) 2.378 2.890 ( -0.063 1.862 -1.846) 2.623 3.295 ( -0.129 -34.118 -3.463) 34.294 4.480 ( 2.321 -7.893 -23.012) 24.439 4.798 ( -0.060 -8.397 -4.480) 9.517 5.071 ( 0.902 -2.634 -9.782) 10.170 5.704 ( 1.475 -20.996 20.334) 29.266 6.459 ( 0.289 -13.287 16.319) 21.046 7.077 ( -1.660 -16.620 15.848) 23.024 7.462 ( -3.095 2.687 15.960) 16.478 8.458 ( 0.108 -37.237 7.047) 37.898 9.449 ( 0.179 -0.555 -1.094) 1.239 9.891 ( 0.804 -7.476 -10.223) 12.691 10.123 ( 0.445 -2.133 -14.321) 14.486 10.460 ( 0.354 0.475 -6.086) 6.114 10.665 ( -0.424 -1.205 -10.317) 10.396 11.637 ( 0.556 21.772 -10.212) 24.055 11.708 ( 0.034 5.417 -0.155) 5.419 12.453 ( -0.472 15.979 6.139) 17.125 13.275 ( -1.691 31.041 16.420) 35.157 14.076 ( -2.561 37.267 -17.030) 41.054 15.183 ( 1.690 21.715 -27.396) 34.999 17.160 ( 5.359 -20.197 26.277) 33.572 17.463 ( -0.441 -10.666 9.072) 14.009 17.876 ( 0.630 -25.032 -3.087) 25.229 18.066 ( -0.895 -18.356 0.512) 18.385 ======================= Grid point 446 (215/322) ======================= q-point: (-0.15 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.051 -11.614 1.907) 11.770 1.609 ( -0.618 -1.951 2.501) 3.232 1.852 ( -0.346 -9.074 5.076) 10.403 2.102 ( 2.197 -5.212 -6.195) 8.389 2.162 ( -0.718 -2.691 -7.305) 7.818 2.260 ( -0.042 -13.272 1.686) 13.379 2.301 ( -0.738 -12.923 2.886) 13.262 2.420 ( 0.128 -11.997 -2.886) 12.340 2.616 ( -1.002 -4.614 1.790) 5.050 2.752 ( -0.631 1.364 -0.623) 1.627 2.812 ( 1.523 1.836 0.884) 2.544 2.857 ( 0.130 1.117 -0.568) 1.260 4.013 ( 0.082 -34.490 -7.050) 35.203 4.707 ( 0.943 -12.801 -11.534) 17.256 4.999 ( 0.626 -12.801 -7.374) 14.786 5.206 ( 0.993 -10.663 -11.296) 15.566 5.990 ( 0.646 -6.975 9.662) 11.935 6.609 ( -0.678 0.020 19.884) 19.895 7.320 ( -1.069 -8.699 14.940) 17.321 7.450 ( -1.737 -2.078 12.393) 12.685 9.155 ( 0.231 -30.530 4.934) 30.927 9.511 ( -0.396 -5.706 6.093) 8.357 9.945 ( 0.088 -0.309 -1.018) 1.067 10.221 ( 0.894 -4.916 -13.668) 14.552 10.461 ( 0.136 -0.660 -9.447) 9.471 10.798 ( -0.438 -10.334 -4.488) 11.275 11.314 ( 0.224 10.072 -4.571) 11.063 11.510 ( -0.672 13.758 12.224) 18.416 12.125 ( -0.700 16.925 5.738) 17.884 12.852 ( -0.050 10.405 -7.598) 12.883 13.377 ( -1.505 29.275 -10.188) 31.033 14.722 ( 1.915 24.082 -32.201) 40.256 17.469 ( 2.286 -9.257 24.707) 26.484 17.606 ( -0.818 -4.117 15.093) 15.666 18.302 ( 0.689 -17.154 -4.130) 17.658 18.385 ( -0.386 -13.395 -2.278) 13.592 ======================= Grid point 447 (216/322) ======================= q-point: (-0.08 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 0.637 -5.456 -2.607) 6.080 1.633 ( -0.181 -0.798 -1.240) 1.486 2.031 ( 0.626 -7.227 -0.791) 7.297 2.169 ( -0.366 0.159 -6.395) 6.407 2.213 ( -0.179 -6.241 2.799) 6.842 2.487 ( -0.126 -8.470 1.285) 8.568 2.524 ( -0.462 -9.032 1.461) 9.161 2.598 ( 0.564 -3.699 -3.594) 5.188 2.692 ( -0.706 -2.282 1.371) 2.754 2.719 ( -0.031 -0.585 -0.188) 0.615 2.798 ( 0.644 -0.067 1.029) 1.216 2.851 ( 0.090 -0.441 0.455) 0.640 4.605 ( -0.065 -23.662 -6.602) 24.565 4.931 ( 0.411 -9.059 -1.816) 9.248 5.346 ( 0.599 -20.673 -6.402) 21.650 5.467 ( 0.628 -14.249 -12.257) 18.806 6.030 ( 0.393 2.244 3.173) 3.906 6.482 ( -1.075 11.332 17.552) 20.920 7.457 ( 0.031 -4.740 12.132) 13.025 7.487 ( -1.441 -1.278 9.116) 9.317 9.614 ( -0.306 -12.925 6.130) 14.308 9.693 ( -0.211 -13.488 8.008) 15.688 10.010 ( -0.378 -6.955 3.974) 8.019 10.225 ( 0.002 2.043 -1.449) 2.505 10.478 ( 0.106 2.904 -3.957) 4.910 10.874 ( -1.068 6.557 9.467) 11.565 11.233 ( -0.004 -0.377 0.996) 1.065 11.302 ( 0.308 2.872 1.550) 3.278 11.856 ( -0.586 5.746 7.812) 9.715 12.603 ( -0.733 19.480 -16.488) 25.531 13.098 ( 1.107 -4.759 -19.675) 20.273 14.227 ( 2.139 24.767 -35.279) 43.157 17.596 ( 0.592 -3.060 24.715) 24.910 17.649 ( -1.297 -0.588 19.939) 19.990 18.569 ( 0.633 -9.486 -5.218) 10.845 18.595 ( -0.010 -7.730 -4.424) 8.906 ======================= Grid point 456 (217/322) ======================= q-point: (-0.38 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -3.838 -0.000 14.020) 14.536 0.787 ( -0.979 -0.000 7.472) 7.536 0.839 ( -0.056 -0.000 6.833) 6.833 1.254 ( 0.520 0.000 1.501) 1.588 1.336 ( -0.499 -0.000 -1.180) 1.281 1.597 ( -0.801 -0.000 25.508) 25.520 1.920 ( -0.861 -0.000 9.028) 9.069 2.002 ( 2.998 0.000 -11.783) 12.159 2.376 ( -2.787 -0.000 43.939) 44.028 2.555 ( 0.059 0.000 -3.443) 3.443 2.632 ( -0.511 -0.000 2.308) 2.364 2.928 ( 1.939 0.000 -5.103) 5.459 2.998 ( -0.611 -0.000 -5.575) 5.609 3.869 ( 2.105 0.000 34.951) 35.015 4.667 ( 1.828 0.000 -27.846) 27.906 4.768 ( 0.229 0.000 4.009) 4.016 5.303 ( -0.060 -0.000 -17.288) 17.288 5.650 ( 2.227 0.000 3.155) 3.862 6.056 ( -0.509 -0.000 9.232) 9.246 6.575 ( 0.156 0.000 -3.083) 3.087 7.806 ( -5.688 -0.000 34.963) 35.423 9.442 ( 1.432 0.000 -9.278) 9.388 9.577 ( 3.248 0.000 -19.511) 19.779 10.200 ( -0.122 -0.000 -16.460) 16.461 10.655 ( -0.570 -0.000 0.544) 0.788 11.038 ( 2.268 0.000 -10.936) 11.169 11.872 ( -0.659 -0.000 9.984) 10.006 12.843 ( -2.517 -0.000 34.989) 35.079 13.230 ( 1.664 0.000 -25.270) 25.324 15.232 ( -7.722 -0.000 8.053) 11.157 15.420 ( -1.506 -0.000 23.379) 23.428 15.668 ( 20.210 0.000 4.263) 20.655 16.197 ( 0.425 0.000 2.987) 3.017 16.443 ( 0.668 0.000 -3.992) 4.047 16.534 ( 0.690 0.000 -9.753) 9.777 16.998 ( -2.007 -0.000 -14.598) 14.735 ======================= Grid point 457 (218/322) ======================= q-point: (-0.31 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -4.195 -2.195 14.148) 14.919 0.967 ( -0.841 -15.721 5.835) 16.790 1.014 ( -0.016 -15.258 5.292) 16.150 1.392 ( 0.488 -12.126 1.678) 12.251 1.453 ( -0.621 -10.915 -1.607) 11.050 1.616 ( -0.002 -3.335 23.204) 23.443 1.922 ( -0.991 -0.473 7.627) 7.706 2.025 ( 2.824 -1.460 -10.934) 11.387 2.264 ( -1.504 0.763 23.240) 23.301 2.564 ( -1.627 -0.117 -3.212) 3.603 2.751 ( 0.026 -5.565 8.066) 9.799 2.921 ( 2.098 1.251 -4.844) 5.426 2.982 ( -0.692 1.178 -5.395) 5.566 4.197 ( 2.318 -24.746 29.624) 38.669 4.560 ( 1.915 6.530 -25.031) 25.940 4.808 ( 0.892 -4.503 6.016) 7.567 5.242 ( 0.519 4.900 -15.240) 16.017 5.809 ( 1.996 -14.017 5.397) 15.152 6.248 ( -0.786 -17.471 10.753) 20.530 6.880 ( -0.335 -26.980 -5.235) 27.485 7.761 ( -5.632 2.502 35.196) 35.732 9.480 ( 1.609 -2.152 -9.526) 9.898 9.579 ( 2.428 -1.062 -18.703) 18.889 10.160 ( -0.665 2.875 -15.107) 15.392 10.634 ( -0.635 2.030 0.240) 2.141 10.894 ( 1.349 11.943 -6.819) 13.819 11.814 ( 0.101 3.746 -0.166) 3.751 12.768 ( -0.163 16.364 7.490) 17.998 12.962 ( -0.754 15.440 -0.731) 15.476 14.826 ( -2.980 38.329 13.652) 40.797 15.278 ( -7.911 9.536 -22.529) 25.711 15.976 ( 14.679 -14.549 22.036) 30.212 16.108 ( 8.624 13.604 -1.202) 16.151 16.649 ( 0.586 -24.256 1.815) 24.331 16.739 ( 0.858 -27.028 -1.130) 27.065 17.282 ( -2.230 -19.498 -5.304) 20.329 ======================= Grid point 458 (219/322) ======================= q-point: (-0.23 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -3.193 -9.847 12.523) 16.248 1.308 ( -1.162 -16.130 4.821) 16.876 1.364 ( 0.327 -17.573 3.464) 17.914 1.661 ( 0.027 -12.634 6.518) 14.216 1.716 ( -0.683 -14.412 -2.201) 14.595 1.788 ( 1.556 -12.763 5.877) 14.137 1.945 ( -0.705 -2.460 3.148) 4.057 2.078 ( 1.754 -3.311 -7.763) 8.620 2.433 ( -1.362 -12.298 6.147) 13.816 2.597 ( -0.867 -7.502 -3.833) 8.469 2.835 ( 0.049 -4.411 8.414) 9.500 2.901 ( 2.008 0.957 -4.374) 4.907 2.950 ( -0.867 0.746 -4.907) 5.038 4.418 ( 2.709 0.609 -24.352) 24.510 4.637 ( 0.276 -8.983 0.039) 8.987 5.031 ( 0.668 -7.566 5.285) 9.253 5.254 ( 2.540 -16.092 9.927) 19.077 6.148 ( 1.280 -17.233 10.321) 20.128 6.669 ( -1.406 -22.443 13.901) 26.436 7.418 ( -3.382 -15.214 -0.978) 15.616 7.805 ( -1.969 -18.046 28.008) 33.376 9.472 ( 1.083 2.056 -9.603) 9.880 9.701 ( 1.268 -9.492 -14.103) 17.047 10.107 ( -0.316 0.949 -13.590) 13.627 10.547 ( -0.074 6.610 -0.822) 6.661 10.703 ( 0.137 5.264 -9.708) 11.044 11.758 ( 0.323 2.025 -8.085) 8.341 12.195 ( 1.658 31.577 -14.782) 34.905 12.743 ( -1.805 11.983 17.986) 21.688 14.007 ( -2.346 40.364 17.917) 44.224 14.784 ( -5.527 32.887 -24.733) 41.519 15.603 ( 1.269 21.010 -19.788) 28.889 16.698 ( 14.070 -29.118 29.159) 43.544 17.148 ( 0.297 -21.441 4.014) 21.816 17.323 ( 1.110 -29.352 -1.732) 29.424 17.670 ( -1.776 -20.047 1.414) 20.175 ======================= Grid point 459 (220/322) ======================= q-point: (-0.15 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -1.352 -14.742 8.187) 16.917 1.531 ( -1.521 -6.443 5.577) 8.656 1.663 ( 0.252 -11.230 4.426) 12.073 1.930 ( 0.628 -14.117 2.513) 14.352 1.985 ( 0.166 -11.492 -5.001) 12.534 2.041 ( -0.558 -9.826 1.821) 10.009 2.071 ( 1.155 -10.327 -4.568) 11.351 2.184 ( 0.299 -8.579 -3.475) 9.261 2.533 ( -1.513 -3.063 2.026) 3.972 2.750 ( 0.102 -2.013 -1.749) 2.669 2.860 ( 1.694 1.900 0.100) 2.547 2.887 ( -0.312 1.800 -2.249) 2.897 3.292 ( -0.193 -34.218 -3.451) 34.392 4.487 ( 2.221 -7.699 -22.913) 24.273 4.796 ( 0.146 -8.410 -4.461) 9.521 5.074 ( 0.922 -2.738 -9.870) 10.284 5.727 ( 1.572 -20.240 19.706) 28.292 6.471 ( 0.695 -13.087 17.021) 21.482 7.071 ( -1.873 -16.608 15.661) 22.904 7.443 ( -3.636 1.917 15.394) 15.934 8.462 ( -0.015 -37.237 7.348) 37.955 9.449 ( -0.004 -0.466 -1.244) 1.329 9.891 ( 0.538 -7.457 -10.475) 12.870 10.120 ( 0.712 -2.263 -14.242) 14.439 10.460 ( 0.522 0.437 -6.001) 6.040 10.656 ( -0.396 -1.137 -10.390) 10.459 11.637 ( 0.863 21.393 -10.254) 23.739 11.708 ( -0.216 5.965 -0.094) 5.970 12.453 ( -0.373 15.898 6.035) 17.009 13.269 ( -1.811 30.869 15.964) 34.799 14.045 ( -3.016 36.367 -15.877) 39.796 15.182 ( 1.558 21.739 -27.378) 34.994 17.221 ( 6.512 -17.966 24.899) 31.387 17.465 ( -0.415 -10.647 9.350) 14.176 17.882 ( 1.182 -24.894 -2.640) 25.062 18.059 ( -0.858 -18.551 0.578) 18.580 ======================= Grid point 460 (221/322) ======================= q-point: (-0.08 -0.38 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.269 -11.883 2.228) 12.093 1.604 ( -0.899 -2.154 2.648) 3.530 1.850 ( -0.712 -8.976 5.545) 10.574 2.117 ( 2.356 -5.172 -5.919) 8.206 2.151 ( -1.067 -2.463 -7.765) 8.216 2.261 ( 0.112 -13.132 1.661) 13.237 2.296 ( -0.776 -13.000 2.909) 13.344 2.422 ( 0.770 -11.996 -2.930) 12.373 2.610 ( -0.751 -4.825 1.567) 5.128 2.748 ( -0.357 1.514 -0.648) 1.685 2.824 ( 1.337 1.932 1.141) 2.612 2.856 ( -0.188 1.003 -0.903) 1.363 4.011 ( 0.215 -34.476 -6.963) 35.173 4.708 ( 0.723 -12.632 -11.417) 17.042 5.001 ( 0.825 -12.958 -7.478) 14.984 5.207 ( 0.789 -10.540 -11.236) 15.426 6.000 ( 0.624 -6.553 9.200) 11.313 6.615 ( -0.324 0.495 20.149) 20.158 7.318 ( -1.313 -9.202 14.762) 17.445 7.441 ( -2.074 -2.375 12.187) 12.588 9.158 ( -0.047 -30.512 5.073) 30.931 9.510 ( -0.527 -5.761 6.128) 8.427 9.945 ( 0.048 -0.293 -1.000) 1.043 10.222 ( 1.088 -5.074 -13.587) 14.545 10.457 ( 0.159 -0.418 -9.390) 9.401 10.793 ( -0.143 -10.494 -4.647) 11.478 11.314 ( 0.363 10.167 -4.477) 11.115 11.510 ( -0.787 13.454 11.816) 17.924 12.124 ( -0.436 17.071 6.051) 18.117 12.848 ( -0.078 10.592 -7.942) 13.239 13.361 ( -1.332 28.566 -9.364) 30.091 14.721 ( 1.843 24.066 -32.195) 40.238 17.500 ( 2.340 -8.228 24.139) 25.610 17.607 ( -0.771 -4.095 15.292) 15.849 18.306 ( 0.895 -17.008 -3.848) 17.460 18.382 ( -0.190 -13.488 -2.247) 13.676 ======================= Grid point 470 (222/322) ======================= q-point: (-0.31 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -5.356 -0.000 15.356) 16.263 0.783 ( -0.982 -0.000 7.883) 7.944 0.841 ( -0.076 -0.000 6.515) 6.515 1.260 ( 0.844 0.000 1.385) 1.622 1.331 ( -0.757 -0.000 -1.072) 1.312 1.604 ( -0.609 -0.000 25.959) 25.966 1.915 ( -1.687 -0.000 11.342) 11.466 2.021 ( 3.509 0.000 -14.632) 15.047 2.376 ( -2.786 -0.000 43.890) 43.979 2.550 ( -0.855 -0.000 -4.036) 4.125 2.631 ( -0.064 -0.000 2.379) 2.380 2.943 ( 2.276 0.000 -5.172) 5.651 2.990 ( -0.711 -0.000 -5.644) 5.688 3.910 ( 3.671 0.000 33.860) 34.058 4.668 ( 1.787 0.000 -27.857) 27.914 4.772 ( 0.437 0.000 4.471) 4.492 5.294 ( -0.017 -0.000 -16.937) 16.937 5.673 ( 2.947 0.000 3.466) 4.549 6.057 ( -0.525 -0.000 9.224) 9.239 6.574 ( 0.149 0.000 -3.086) 3.090 7.776 ( -6.411 -0.000 34.587) 35.176 9.448 ( 1.318 0.000 -9.615) 9.705 9.593 ( 3.203 0.000 -20.507) 20.756 10.186 ( -1.251 -0.000 -16.777) 16.823 10.651 ( -0.687 -0.000 0.394) 0.792 11.050 ( 2.142 0.000 -11.458) 11.657 11.872 ( -0.629 -0.000 9.994) 10.014 12.838 ( -3.086 -0.000 34.178) 34.317 13.231 ( 1.691 0.000 -25.262) 25.319 15.184 ( -4.647 -0.000 -9.014) 10.141 15.419 ( -1.516 -0.000 23.367) 23.416 15.845 ( 22.866 0.000 15.605) 27.683 16.205 ( 1.723 0.000 3.790) 4.163 16.455 ( 2.881 0.000 -2.623) 3.896 16.535 ( 0.677 0.000 -9.762) 9.785 16.966 ( -4.188 -0.000 -13.406) 14.045 ======================= Grid point 471 (223/322) ======================= q-point: (-0.23 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -5.019 -2.611 15.775) 16.759 0.963 ( -0.785 -15.699 6.102) 16.862 1.016 ( -0.135 -15.268 5.050) 16.082 1.398 ( 0.676 -11.969 1.661) 12.102 1.446 ( -0.893 -10.871 -1.267) 10.981 1.629 ( 0.257 -3.687 22.952) 23.248 1.915 ( -1.779 -0.569 10.041) 10.214 2.043 ( 3.104 -1.201 -13.841) 14.236 2.263 ( -1.688 1.014 23.550) 23.632 2.548 ( -1.875 -0.128 -3.301) 3.799 2.755 ( -0.126 -5.542 7.733) 9.514 2.936 ( 2.232 1.259 -4.714) 5.365 2.974 ( -0.652 1.193 -5.533) 5.698 4.233 ( 3.058 -23.501 27.321) 36.167 4.564 ( 2.198 6.275 -24.719) 25.598 4.819 ( 1.121 -5.177 6.883) 8.686 5.238 ( 0.381 4.382 -14.915) 15.550 5.830 ( 2.468 -13.654 5.907) 15.080 6.247 ( -0.856 -17.336 10.721) 20.401 6.874 ( -0.609 -26.460 -5.181) 26.970 7.734 ( -5.714 1.931 34.873) 35.391 9.486 ( 1.208 -2.246 -9.790) 10.117 9.588 ( 2.264 -0.555 -19.783) 19.920 10.145 ( -1.267 2.639 -15.450) 15.725 10.629 ( -0.650 1.981 0.132) 2.089 10.901 ( 1.222 12.327 -6.923) 14.191 11.814 ( -0.112 3.774 -0.154) 3.779 12.771 ( -0.273 15.316 8.743) 17.638 12.955 ( -0.790 16.282 -2.641) 16.514 14.808 ( -3.215 37.251 10.640) 38.874 15.213 ( -5.937 11.497 -19.741) 23.604 16.040 ( 2.702 15.872 -3.772) 16.536 16.246 ( 22.166 -14.640 19.901) 33.192 16.657 ( 1.133 -24.717 2.483) 24.867 16.750 ( 2.229 -26.314 -0.425) 26.412 17.258 ( -3.399 -20.169 -4.296) 20.900 ======================= Grid point 472 (224/322) ======================= q-point: (-0.15 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -3.125 -10.520 13.849) 17.670 1.301 ( -1.078 -15.823 5.085) 16.655 1.367 ( 0.048 -17.764 3.272) 18.063 1.664 ( -0.054 -12.681 6.475) 14.239 1.709 ( -0.763 -14.598 -2.023) 14.757 1.805 ( 1.839 -12.477 5.588) 13.794 1.938 ( -1.358 -2.660 5.655) 6.395 2.088 ( 1.873 -2.832 -10.515) 11.050 2.425 ( -1.414 -11.600 5.978) 13.126 2.588 ( -0.902 -8.541 -3.454) 9.257 2.838 ( -0.350 -4.601 8.331) 9.523 2.915 ( 1.715 1.370 -3.965) 4.532 2.942 ( -0.351 0.703 -5.402) 5.459 4.427 ( 2.672 0.754 -24.671) 24.826 4.640 ( 0.490 -8.342 -0.418) 8.367 5.041 ( 1.099 -5.690 2.525) 6.321 5.278 ( 2.007 -18.156 12.678) 22.235 6.164 ( 1.439 -17.059 11.020) 20.360 6.664 ( -1.502 -22.283 13.809) 26.258 7.388 ( -3.825 -14.226 -0.052) 14.732 7.805 ( -1.565 -19.503 26.814) 33.193 9.474 ( 0.658 2.254 -10.105) 10.374 9.703 ( 0.973 -9.282 -14.582) 17.313 10.098 ( -0.218 0.465 -13.828) 13.838 10.546 ( 0.030 6.364 -0.755) 6.408 10.699 ( 0.167 5.747 -9.637) 11.221 11.755 ( -0.008 2.141 -8.018) 8.299 12.202 ( 2.015 31.652 -14.664) 34.942 12.737 ( -1.921 11.605 17.428) 21.026 13.997 ( -2.378 40.124 17.087) 43.676 14.729 ( -5.296 31.583 -22.377) 39.067 15.603 ( 1.093 21.031 -19.826) 28.924 16.827 ( 14.567 -24.946 25.285) 38.390 17.153 ( 0.321 -21.014 4.467) 21.486 17.334 ( 1.839 -29.288 -1.094) 29.366 17.656 ( -1.923 -20.621 1.826) 20.791 ======================= Grid point 473 (225/322) ======================= q-point: (-0.08 -0.31 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -0.952 -15.267 9.045) 17.771 1.522 ( -1.574 -6.523 5.721) 8.818 1.666 ( -0.038 -11.012 4.294) 11.820 1.936 ( 0.473 -14.449 3.159) 14.798 1.983 ( -0.016 -11.895 -4.567) 12.742 2.037 ( -0.628 -9.316 1.951) 9.539 2.076 ( 0.811 -9.722 -4.877) 10.907 2.187 ( 1.027 -8.713 -4.434) 9.830 2.523 ( -1.194 -3.287 1.779) 3.923 2.750 ( 0.141 -1.910 -1.821) 2.643 2.872 ( 0.787 1.962 0.405) 2.152 2.885 ( 0.200 1.713 -2.383) 2.941 3.289 ( -0.164 -34.317 -3.372) 34.482 4.492 ( 1.959 -7.439 -22.876) 24.134 4.796 ( 0.401 -8.469 -4.530) 9.613 5.076 ( 0.871 -2.720 -9.997) 10.397 5.747 ( 1.032 -19.570 19.157) 27.405 6.486 ( 0.712 -12.937 17.722) 21.954 7.063 ( -1.900 -16.585 15.509) 22.787 7.421 ( -3.597 1.234 14.782) 15.264 8.465 ( -0.241 -37.148 7.634) 37.925 9.448 ( -0.171 -0.448 -1.420) 1.499 9.889 ( 0.293 -7.527 -10.773) 13.145 10.120 ( 1.042 -2.419 -14.086) 14.330 10.462 ( 0.642 0.488 -5.868) 5.924 10.649 ( -0.100 -1.169 -10.462) 10.527 11.640 ( 1.093 20.845 -10.198) 23.231 11.705 ( -0.399 6.693 -0.138) 6.706 12.453 ( -0.263 15.713 5.833) 16.763 13.263 ( -1.761 30.709 15.435) 34.414 14.015 ( -2.543 35.436 -14.598) 38.410 15.180 ( 1.468 21.747 -27.366) 34.985 17.283 ( 5.896 -15.664 23.378) 28.752 17.466 ( -0.557 -10.664 9.679) 14.412 17.891 ( 1.523 -24.639 -2.149) 24.779 18.054 ( -0.617 -18.786 0.653) 18.808 ======================= Grid point 484 (226/322) ======================= q-point: (-0.23 -0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( -6.013 -0.000 17.303) 18.318 0.779 ( -0.894 -0.000 8.236) 8.284 0.844 ( -0.156 -0.000 6.271) 6.273 1.269 ( 1.105 0.000 1.197) 1.629 1.323 ( -0.975 -0.000 -0.907) 1.332 1.613 ( -0.551 -0.000 26.421) 26.427 1.905 ( -2.255 -0.000 12.712) 12.911 2.041 ( 3.388 0.000 -16.553) 16.896 2.376 ( -2.790 -0.000 43.845) 43.933 2.539 ( -1.494 -0.000 -3.895) 4.172 2.633 ( 0.310 0.000 1.680) 1.709 2.957 ( 1.714 0.000 -4.901) 5.192 2.983 ( -0.143 -0.000 -6.012) 6.014 3.958 ( 4.117 0.000 32.144) 32.407 4.667 ( 1.747 0.000 -27.872) 27.927 4.779 ( 0.625 0.000 4.949) 4.988 5.286 ( 0.113 0.000 -16.511) 16.511 5.698 ( 2.944 0.000 3.953) 4.929 6.057 ( -0.557 -0.000 9.215) 9.232 6.574 ( 0.153 0.000 -3.088) 3.092 7.743 ( -6.180 -0.000 34.301) 34.853 9.453 ( 1.093 0.000 -10.163) 10.222 9.605 ( 2.607 0.000 -21.768) 21.923 10.165 ( -1.771 -0.000 -17.069) 17.161 10.645 ( -0.612 -0.000 0.373) 0.717 11.060 ( 1.707 0.000 -12.110) 12.230 11.872 ( -0.602 -0.000 10.008) 10.026 12.830 ( -3.421 -0.000 33.200) 33.376 13.231 ( 1.702 0.000 -25.261) 25.319 15.148 ( -2.662 -0.000 -21.155) 21.322 15.419 ( -1.521 -0.000 23.360) 23.410 16.026 ( 18.763 0.000 15.465) 24.315 16.241 ( 8.396 0.000 7.746) 11.423 16.483 ( 4.247 0.000 -1.072) 4.380 16.535 ( 0.652 0.000 -9.774) 9.796 16.918 ( -6.481 -0.000 -11.050) 12.811 ======================= Grid point 485 (227/322) ======================= q-point: (-0.15 -0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -4.964 -3.198 17.781) 18.736 0.961 ( -0.669 -15.677 6.327) 16.919 1.017 ( -0.269 -15.237 4.869) 15.998 1.404 ( 0.819 -11.751 1.650) 11.894 1.438 ( -1.072 -10.836 -0.894) 10.926 1.643 ( 0.185 -4.067 22.639) 23.002 1.905 ( -2.197 -0.649 11.545) 11.770 2.059 ( 2.693 -0.975 -15.781) 16.038 2.261 ( -1.824 1.283 23.786) 23.890 2.532 ( -1.637 -0.189 -3.180) 3.581 2.757 ( -0.314 -5.454 7.356) 9.163 2.948 ( 0.767 1.170 -4.343) 4.562 2.970 ( 0.726 1.270 -5.900) 6.079 4.270 ( 2.718 -21.984 24.454) 32.995 4.570 ( 2.351 5.879 -24.440) 25.246 4.832 ( 1.155 -5.976 7.952) 10.014 5.233 ( 0.239 4.006 -14.539) 15.082 5.852 ( 2.274 -13.331 6.497) 15.003 6.246 ( -0.893 -17.186 10.688) 20.258 6.866 ( -0.698 -25.805 -5.073) 26.308 7.709 ( -4.922 1.272 34.602) 34.973 9.489 ( 0.712 -2.169 -10.322) 10.571 9.594 ( 1.748 -0.246 -20.834) 20.909 10.126 ( -1.286 2.262 -15.749) 15.963 10.625 ( -0.492 1.933 0.135) 2.000 10.906 ( 0.928 12.575 -7.112) 14.476 11.812 ( -0.311 3.908 -0.019) 3.921 12.772 ( -0.532 13.748 10.467) 17.287 12.948 ( -0.493 17.494 -5.159) 18.246 14.787 ( -2.958 36.134 7.013) 36.927 15.164 ( -4.037 14.068 -17.606) 22.895 16.048 ( 0.708 21.435 -8.349) 23.014 16.434 ( 21.374 -18.181 18.977) 33.875 16.670 ( 1.900 -24.986 3.442) 25.293 16.772 ( 3.207 -25.213 0.438) 25.420 17.226 ( -4.101 -21.245 -2.658) 21.799 ======================= Grid point 486 (228/322) ======================= q-point: (-0.08 -0.23 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -2.508 -11.248 15.246) 19.111 1.296 ( -0.896 -15.516 5.325) 16.429 1.368 ( -0.217 -17.882 3.113) 18.152 1.666 ( -0.280 -12.690 6.471) 14.248 1.702 ( -0.529 -14.787 -2.065) 14.940 1.821 ( 1.559 -12.239 5.274) 13.417 1.930 ( -1.556 -2.907 7.489) 8.182 2.096 ( 1.423 -2.515 -12.353) 12.686 2.417 ( -1.183 -11.135 5.661) 12.548 2.580 ( -0.638 -9.394 -2.856) 9.839 2.838 ( -0.703 -4.614 8.206) 9.440 2.918 ( -0.534 1.694 -3.685) 4.091 2.945 ( 1.824 0.598 -5.709) 6.023 4.434 ( 2.371 0.859 -24.896) 25.023 4.644 ( 0.628 -7.748 -0.973) 7.834 5.051 ( 1.324 -4.020 0.045) 4.233 5.296 ( 0.711 -19.873 15.061) 24.945 6.180 ( 1.064 -16.909 11.695) 20.587 6.659 ( -1.462 -22.126 13.727) 26.079 7.360 ( -3.251 -13.576 0.668) 13.976 7.808 ( -1.257 -20.441 25.878) 33.002 9.472 ( 0.217 2.311 -10.634) 10.885 9.702 ( 0.624 -9.057 -15.067) 17.591 10.090 ( 0.185 -0.117 -13.983) 13.985 10.547 ( 0.142 6.090 -0.681) 6.130 10.696 ( 0.311 6.137 -9.537) 11.345 11.750 ( -0.231 2.231 -7.834) 8.148 12.211 ( 2.122 31.712 -14.690) 35.014 12.731 ( -1.839 11.191 16.865) 20.323 13.988 ( -2.112 39.880 16.218) 43.103 14.682 ( -3.814 30.652 -20.301) 36.963 15.601 ( 0.954 21.019 -19.863) 28.935 16.945 ( 11.692 -21.246 21.486) 32.400 17.157 ( -0.102 -20.486 5.010) 21.090 17.350 ( 2.226 -29.132 -0.418) 29.220 17.642 ( -1.559 -21.323 2.305) 21.503 ======================= Grid point 498 (229/322) ======================= q-point: (-0.15 -0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -5.571 -0.000 19.537) 20.315 0.777 ( -0.743 -0.000 8.488) 8.520 0.845 ( -0.271 -0.000 6.119) 6.125 1.279 ( 1.280 0.000 0.962) 1.601 1.315 ( -1.142 -0.000 -0.703) 1.341 1.622 ( -0.763 -0.000 26.820) 26.831 1.893 ( -2.359 -0.000 13.448) 13.654 2.056 ( 2.475 0.000 -17.779) 17.950 2.376 ( -2.800 -0.000 43.812) 43.902 2.525 ( -1.216 -0.000 -3.454) 3.661 2.636 ( 0.247 0.000 0.784) 0.822 2.959 ( -0.450 -0.000 -4.597) 4.619 2.987 ( 1.797 0.000 -6.359) 6.608 4.003 ( 3.130 0.000 30.098) 30.260 4.667 ( 1.715 0.000 -27.889) 27.942 4.786 ( 0.572 0.000 5.332) 5.363 5.279 ( 0.387 0.000 -16.073) 16.077 5.721 ( 2.212 0.000 4.518) 5.030 6.057 ( -0.596 -0.000 9.207) 9.226 6.574 ( 0.167 0.000 -3.088) 3.093 7.716 ( -4.902 -0.000 34.188) 34.537 9.455 ( 0.741 0.000 -10.789) 10.814 9.611 ( 1.640 0.000 -23.025) 23.083 10.142 ( -1.563 -0.000 -17.249) 17.320 10.642 ( -0.384 -0.000 0.461) 0.600 11.064 ( 1.051 0.000 -12.739) 12.782 11.872 ( -0.584 -0.000 10.021) 10.038 12.819 ( -3.441 -0.000 32.283) 32.466 13.232 ( 1.694 0.000 -25.267) 25.323 15.119 ( -1.553 -0.000 -29.285) 29.326 15.419 ( -1.522 -0.000 23.360) 23.410 16.122 ( 5.271 0.000 6.377) 8.274 16.368 ( 20.451 0.000 13.715) 24.624 16.517 ( 4.086 0.000 0.200) 4.091 16.535 ( 0.622 0.000 -9.787) 9.807 16.856 ( -7.826 -0.000 -6.931) 10.454 ======================= Grid point 499 (230/322) ======================= q-point: (-0.08 -0.15 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -3.965 -3.837 19.745) 20.501 0.959 ( -0.501 -15.656 6.489) 16.955 1.017 ( -0.404 -15.177 4.760) 15.911 1.412 ( 0.873 -11.474 1.742) 11.638 1.429 ( -1.118 -10.866 -0.667) 10.944 1.654 ( -0.348 -4.391 22.348) 22.778 1.894 ( -2.055 -0.713 12.422) 12.611 2.067 ( 1.540 -0.821 -16.922) 17.012 2.258 ( -1.871 1.510 23.882) 24.002 2.521 ( -0.751 -0.250 -2.936) 3.040 2.757 ( -0.557 -5.355 7.057) 8.877 2.944 ( -0.843 1.127 -4.495) 4.710 2.979 ( 2.027 1.282 -5.747) 6.227 4.298 ( 1.359 -20.539 21.702) 29.911 4.576 ( 2.349 5.390 -24.176) 24.881 4.844 ( 0.656 -6.751 8.954) 11.233 5.227 ( 0.232 3.904 -14.242) 14.769 5.871 ( 1.417 -13.111 7.035) 14.946 6.244 ( -0.881 -17.054 10.658) 20.130 6.858 ( -0.471 -25.187 -4.928) 25.669 7.693 ( -3.408 0.711 34.416) 34.592 9.487 ( 0.187 -1.952 -11.001) 11.174 9.595 ( 1.076 -0.209 -21.584) 21.612 10.110 ( -0.747 1.835 -15.937) 16.060 10.622 ( -0.219 1.900 0.236) 1.927 10.908 ( 0.518 12.627 -7.341) 14.615 11.809 ( -0.447 4.119 0.201) 4.148 12.773 ( -0.815 12.054 12.194) 17.166 12.943 ( -0.001 18.768 -7.629) 20.260 14.770 ( -2.145 35.132 3.602) 35.382 15.130 ( -2.475 16.129 -15.409) 22.443 16.046 ( 0.234 22.623 -9.390) 24.496 16.577 ( 11.474 -19.949 11.812) 25.868 16.698 ( 5.213 -22.137 6.396) 23.625 16.798 ( 2.985 -24.276 1.219) 24.489 17.195 ( -3.152 -22.561 -0.499) 22.786 ======================= Grid point 512 (231/322) ======================= q-point: (-0.08 -0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -3.996 -0.000 21.547) 21.915 0.776 ( -0.555 -0.000 8.612) 8.630 0.846 ( -0.403 -0.000 6.063) 6.077 1.290 ( 1.315 0.000 0.747) 1.512 1.305 ( -1.203 -0.000 -0.522) 1.312 1.627 ( -1.346 -0.000 27.082) 27.115 1.883 ( -1.919 -0.000 13.856) 13.988 2.060 ( 0.923 0.000 -18.479) 18.502 2.376 ( -2.813 -0.000 43.801) 43.892 2.518 ( -0.085 -0.000 -3.087) 3.088 2.637 ( -0.142 -0.000 0.087) 0.166 2.951 ( -0.975 -0.000 -4.681) 4.782 2.999 ( 1.942 0.000 -6.248) 6.543 4.034 ( 0.720 0.000 28.411) 28.420 4.666 ( 1.699 0.000 -27.903) 27.955 4.792 ( 0.061 0.000 5.530) 5.530 5.276 ( 0.961 0.000 -15.759) 15.789 5.736 ( 0.908 0.000 5.028) 5.110 6.057 ( -0.634 -0.000 9.201) 9.223 6.574 ( 0.189 0.000 -3.086) 3.091 7.702 ( -2.833 -0.000 34.187) 34.305 9.453 ( 0.315 0.000 -11.380) 11.385 9.608 ( 0.661 0.000 -23.871) 23.881 10.124 ( -0.786 -0.000 -17.306) 17.324 10.640 ( -0.095 -0.000 0.631) 0.638 11.063 ( 0.314 0.000 -13.174) 13.178 11.873 ( -0.578 -0.000 10.032) 10.049 12.809 ( -3.163 -0.000 31.657) 31.815 13.232 ( 1.669 0.000 -25.277) 25.332 15.094 ( -0.712 -0.000 -33.558) 33.566 15.419 ( -1.517 -0.000 23.367) 23.417 16.147 ( 1.470 0.000 3.649) 3.934 16.517 ( 9.403 0.000 7.526) 12.044 16.535 ( 0.593 0.000 -9.798) 9.816 16.544 ( 5.158 0.000 2.524) 5.743 16.804 ( -2.743 -0.000 -1.079) 2.947 ======================= Grid point 513 (232/322) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.222 -0.000 3.559) 3.566 0.938 ( -0.146 -0.000 2.581) 2.586 1.085 ( -0.459 -0.000 24.585) 24.590 1.285 ( -0.597 -0.000 -0.390) 0.713 1.296 ( 0.665 0.000 -0.450) 0.803 1.584 ( -0.386 -0.000 -23.533) 23.536 2.018 ( -0.803 -0.000 9.644) 9.677 2.121 ( -0.417 -0.000 6.674) 6.687 2.485 ( 0.752 0.000 -0.281) 0.803 2.676 ( -0.992 -0.000 3.608) 3.742 2.830 ( -0.003 -0.000 -5.141) 5.141 2.879 ( 0.934 0.000 -5.590) 5.668 3.226 ( -2.468 -0.000 39.050) 39.128 4.050 ( 2.022 0.000 -32.694) 32.756 4.545 ( -1.749 -0.000 20.492) 20.566 4.948 ( 1.908 0.000 -15.165) 15.285 5.025 ( -1.606 -0.000 12.642) 12.744 5.703 ( 0.412 0.000 -7.141) 7.153 6.196 ( -0.312 -0.000 4.217) 4.229 6.514 ( 0.161 0.000 -2.255) 2.261 8.398 ( -0.835 -0.000 33.370) 33.381 9.059 ( 0.509 0.000 -28.543) 28.547 9.389 ( -0.781 -0.000 5.965) 6.016 9.717 ( 0.919 0.000 -19.562) 19.583 10.688 ( 0.435 0.000 3.821) 3.846 10.836 ( -0.449 -0.000 -8.334) 8.346 12.086 ( -0.546 -0.000 9.116) 9.132 12.811 ( 0.916 0.000 -14.467) 14.496 13.471 ( -2.444 -0.000 33.700) 33.788 14.343 ( 2.114 0.000 -36.013) 36.075 15.823 ( -0.967 -0.000 15.371) 15.401 16.207 ( 0.167 0.000 1.587) 1.595 16.313 ( 0.646 0.000 -10.770) 10.790 16.543 ( -2.973 -0.000 1.238) 3.220 16.677 ( 0.797 0.000 2.589) 2.708 16.825 ( 2.150 0.000 -0.434) 2.193 ======================= Grid point 514 (233/322) ======================= q-point: ( 0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -0.346 -11.960 5.180) 13.038 1.082 ( 0.421 -12.112 4.552) 12.946 1.128 ( -0.798 -6.259 19.538) 20.531 1.394 ( -0.502 -10.101 -0.745) 10.141 1.416 ( 0.447 -10.713 -1.016) 10.770 1.595 ( -0.453 -2.201 -22.697) 22.808 2.008 ( -0.928 0.714 8.642) 8.721 2.120 ( -0.024 0.014 6.214) 6.214 2.495 ( 1.143 -0.768 -0.292) 1.408 2.627 ( -1.633 3.064 10.357) 10.924 2.822 ( 0.301 0.637 -4.639) 4.692 2.855 ( 0.888 1.487 -6.074) 6.317 3.157 ( -2.343 4.073 31.112) 31.465 3.925 ( 1.970 8.543 -33.583) 34.708 4.642 ( -0.967 -4.083 11.218) 11.977 4.925 ( 1.462 2.514 -12.669) 12.999 5.219 ( -2.859 -20.215 16.749) 26.407 5.908 ( -0.819 -19.161 -3.528) 19.501 6.415 ( -0.324 -19.910 5.727) 20.720 6.758 ( 0.463 -21.829 -3.878) 22.175 8.401 ( -0.133 -0.021 33.813) 33.814 9.047 ( 1.064 0.274 -27.908) 27.930 9.421 ( -0.525 -3.363 3.982) 5.238 9.734 ( 1.564 -2.023 -17.270) 17.458 10.654 ( 0.524 3.545 2.544) 4.395 10.758 ( -0.399 7.430 -5.766) 9.413 11.892 ( -0.457 15.510 5.759) 16.551 12.516 ( 0.749 24.959 -12.517) 27.932 13.431 ( -1.580 5.650 32.031) 32.564 14.233 ( 3.742 12.594 -34.044) 36.491 15.301 ( -0.756 32.407 13.467) 35.102 15.816 ( 0.518 31.505 -10.502) 33.213 16.709 ( 0.271 -28.532 1.973) 28.602 16.811 ( -4.929 -21.706 2.559) 22.406 16.894 ( -0.749 -20.106 1.792) 20.199 17.203 ( 1.027 -25.015 -0.212) 25.037 ======================= Grid point 515 (234/322) ======================= q-point: ( 0.15 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.377 -7.393 19.869) 21.204 1.380 ( 0.265 -15.034 2.463) 15.237 1.417 ( -0.816 -16.814 2.226) 16.980 1.609 ( -1.429 -8.686 -9.623) 13.042 1.660 ( 0.007 -12.646 -3.855) 13.220 1.717 ( 1.095 -12.627 -8.876) 15.473 2.002 ( -0.803 -1.083 5.647) 5.806 2.135 ( 0.481 -1.750 4.734) 5.070 2.518 ( 1.075 -1.066 1.753) 2.316 2.647 ( -1.307 -5.796 7.349) 9.450 2.808 ( 0.298 0.762 -3.065) 3.173 2.855 ( 0.797 -1.571 -6.406) 6.643 3.134 ( -2.041 -3.592 23.119) 23.486 3.825 ( 1.503 -0.579 -31.317) 31.358 4.687 ( -0.293 -2.131 4.370) 4.870 4.882 ( 0.839 1.158 -9.281) 9.391 5.679 ( -2.822 -22.399 13.046) 26.074 6.363 ( -2.284 -24.401 4.476) 24.913 6.892 ( -0.145 -24.904 8.892) 26.445 7.248 ( 1.556 -22.520 -6.167) 23.401 8.461 ( -0.634 -7.407 33.572) 34.386 9.083 ( 1.600 -5.243 -25.786) 26.362 9.515 ( -0.147 -5.783 -1.526) 5.983 9.828 ( 1.640 -7.662 -10.256) 12.906 10.535 ( 0.112 11.648 -0.875) 11.681 10.570 ( 0.319 6.597 -2.846) 7.192 11.625 ( 0.095 8.806 -2.372) 9.121 11.981 ( 0.222 25.543 -7.835) 26.719 13.212 ( -1.090 16.696 29.056) 33.529 13.829 ( 3.915 27.100 -26.861) 38.356 14.675 ( -0.603 30.296 16.758) 34.628 15.182 ( 1.131 30.529 -19.621) 36.308 17.226 ( -0.988 -22.454 2.288) 22.592 17.263 ( -4.749 -23.423 7.058) 24.920 17.384 ( -1.081 -26.205 -1.261) 26.257 17.682 ( 0.694 -21.624 0.774) 21.649 ======================= Grid point 516 (235/322) ======================= q-point: ( 0.23 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -0.610 -8.228 13.860) 16.130 1.593 ( 0.067 -5.347 -0.263) 5.354 1.679 ( -1.464 -9.032 -3.238) 9.706 1.803 ( -0.420 -11.635 -3.502) 12.158 1.916 ( 0.414 -12.065 -1.788) 12.204 2.006 ( 0.637 -14.714 -3.679) 15.180 2.095 ( -0.555 -8.997 2.406) 9.330 2.218 ( 0.897 -6.578 1.468) 6.799 2.559 ( 1.201 -2.606 1.400) 3.193 2.745 ( -0.689 -2.781 0.134) 2.868 2.797 ( 0.488 0.350 -1.303) 1.435 2.885 ( -0.483 -0.084 -1.831) 1.895 3.401 ( -0.831 -23.606 11.849) 26.426 3.991 ( 0.777 -16.496 -21.661) 27.239 4.762 ( 0.106 -5.498 0.131) 5.500 4.904 ( 0.272 -3.814 -5.794) 6.942 6.020 ( -1.766 -11.650 7.432) 13.931 6.789 ( -2.830 -17.023 8.708) 19.329 7.321 ( 0.307 -16.105 10.027) 18.974 7.530 ( 2.126 -4.811 -0.970) 5.348 8.788 ( -1.690 -24.386 23.498) 33.907 9.293 ( 1.221 -15.321 -16.679) 22.681 9.648 ( 0.474 -8.104 -6.762) 10.565 10.014 ( 0.261 -7.088 0.476) 7.108 10.317 ( 0.452 7.001 -7.791) 10.484 10.489 ( 1.065 -0.430 -4.676) 4.815 11.529 ( 0.620 9.777 -2.388) 10.083 11.570 ( -0.059 6.904 -6.494) 9.479 12.778 ( -0.910 25.817 22.063) 33.972 13.255 ( 2.824 28.960 -17.375) 33.890 14.067 ( -0.752 30.589 21.297) 37.280 14.602 ( 1.788 27.624 -28.784) 39.935 17.604 ( -1.467 -15.585 4.766) 16.363 17.657 ( -3.406 -16.608 10.254) 19.814 17.866 ( -1.190 -21.561 -4.007) 21.962 18.066 ( 0.648 -16.335 -0.225) 16.350 ======================= Grid point 517 (236/322) ======================= q-point: ( 0.31 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -0.667 -3.860 4.632) 6.066 1.629 ( 0.213 0.557 0.641) 0.876 1.838 ( -2.219 -8.165 -2.875) 8.936 1.976 ( 1.308 -5.377 -1.789) 5.816 2.144 ( -0.363 -10.477 3.381) 11.015 2.293 ( 0.040 -13.287 -3.201) 13.667 2.317 ( 0.037 -11.650 0.461) 11.659 2.389 ( 0.977 -8.986 -2.023) 9.263 2.633 ( 1.097 -4.094 0.412) 4.258 2.767 ( -0.765 -0.335 -0.232) 0.867 2.800 ( 0.968 -0.393 0.396) 1.118 2.854 ( -1.048 2.367 0.177) 2.595 3.968 ( 0.023 -30.049 0.147) 30.050 4.447 ( 0.293 -27.106 -8.756) 28.486 4.908 ( 0.226 -9.271 -2.749) 9.673 5.044 ( -0.063 -10.129 -3.731) 10.794 6.145 ( -0.779 -1.811 4.066) 4.518 6.948 ( -1.455 1.672 8.421) 8.708 7.542 ( 0.372 -6.574 7.713) 10.141 7.573 ( 0.531 -1.519 3.654) 3.992 9.327 ( -1.477 -26.838 12.721) 29.737 9.590 ( -0.171 -11.803 0.148) 11.805 9.898 ( 0.521 -16.930 -10.163) 19.753 10.048 ( -0.248 -0.345 4.377) 4.398 10.244 ( 0.803 1.552 -11.139) 11.275 10.695 ( 1.305 -16.815 -4.832) 17.544 11.288 ( -0.039 8.916 0.817) 8.953 11.580 ( 0.723 0.336 -2.874) 2.982 12.270 ( -0.700 21.569 10.355) 23.936 12.714 ( 1.760 25.184 -10.556) 27.363 13.476 ( -1.028 27.589 21.720) 35.128 14.056 ( 2.147 27.005 -32.671) 42.441 17.844 ( -1.519 -9.011 7.640) 11.911 17.902 ( -2.486 -8.829 12.850) 15.788 18.223 ( -0.810 -14.547 -5.815) 15.687 18.340 ( 0.653 -10.771 -2.606) 11.100 ======================= Grid point 518 (237/322) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( -0.469 -1.194 -0.229) 1.303 1.605 ( 0.183 1.494 -0.617) 1.627 1.967 ( -1.906 -5.142 -2.121) 5.880 2.052 ( 1.472 -2.069 -1.936) 3.193 2.331 ( -0.314 -8.246 6.208) 10.326 2.516 ( -0.622 -8.687 -1.483) 8.835 2.521 ( 0.474 -7.922 -3.860) 8.825 2.551 ( 1.018 -6.438 -0.692) 6.555 2.709 ( 0.319 -2.083 -0.027) 2.107 2.769 ( -1.179 0.163 -0.875) 1.477 2.790 ( 0.918 1.344 2.467) 2.956 2.830 ( -0.184 -1.176 0.137) 1.198 4.527 ( 0.531 -24.275 -2.580) 24.418 4.906 ( -0.321 -13.699 -0.374) 13.708 5.205 ( 0.285 -22.479 -4.307) 22.890 5.288 ( 0.059 -13.493 -4.291) 14.159 6.118 ( -0.274 3.412 2.627) 4.314 6.762 ( -0.366 14.682 7.233) 16.371 7.602 ( 0.124 -0.682 3.684) 3.749 7.628 ( -0.657 -2.126 5.105) 5.569 9.770 ( -0.935 -15.557 8.667) 17.833 9.832 ( -0.796 -14.729 5.672) 15.803 10.077 ( 0.263 -2.921 2.099) 3.607 10.194 ( -0.409 -10.144 -0.039) 10.153 10.299 ( 1.122 -5.821 -12.044) 13.424 11.006 ( 0.638 -8.060 1.851) 8.294 11.162 ( 0.105 1.931 -1.404) 2.389 11.473 ( -0.178 8.498 8.218) 11.823 12.012 ( -0.292 5.751 2.766) 6.389 12.293 ( 1.304 15.569 -12.148) 19.791 13.015 ( -0.714 16.803 12.853) 21.167 13.529 ( 2.126 24.995 -32.517) 41.068 17.970 ( -1.658 -4.345 10.562) 11.541 18.013 ( -1.556 -3.138 14.086) 14.515 18.444 ( -0.308 -8.053 -6.636) 10.439 18.505 ( 0.599 -5.642 -4.978) 7.548 ======================= Grid point 519 (238/322) ======================= q-point: ( 0.46 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -0.168 -0.799 -1.777) 1.955 1.578 ( 0.234 1.171 -1.783) 2.146 2.027 ( -0.654 -1.595 -1.921) 2.581 2.080 ( 0.660 -0.540 -1.962) 2.140 2.473 ( -0.016 -5.724 4.759) 7.444 2.595 ( -0.180 0.963 0.294) 1.023 2.630 ( 0.042 -2.311 -1.456) 2.731 2.651 ( 0.216 -3.090 -0.674) 3.170 2.712 ( -0.094 0.302 -0.093) 0.330 2.736 ( -0.394 0.791 -0.268) 0.924 2.828 ( 0.412 -2.140 0.563) 2.251 2.851 ( -0.001 -0.443 -0.199) 0.485 4.906 ( 0.843 -12.573 -1.476) 12.687 5.032 ( -0.767 -0.365 -0.068) 0.852 5.539 ( 0.201 -10.752 -4.682) 11.729 5.606 ( 0.352 -9.400 -4.347) 10.363 6.104 ( -0.189 -7.046 4.236) 8.224 6.414 ( -0.360 18.971 6.023) 19.907 7.610 ( 0.116 -0.164 3.193) 3.199 7.637 ( -0.705 0.326 3.337) 3.426 10.011 ( -0.827 -8.252 9.576) 12.668 10.046 ( -0.662 -4.317 9.097) 10.091 10.175 ( 0.567 -6.631 -3.401) 7.474 10.313 ( 0.220 4.265 -6.940) 8.149 10.440 ( -0.366 -16.367 5.556) 17.288 10.818 ( -0.100 18.775 7.620) 20.263 11.295 ( -0.151 -6.836 -1.281) 6.957 11.371 ( -0.024 2.234 5.692) 6.115 11.959 ( -0.513 -1.341 4.711) 4.925 12.081 ( 0.642 7.930 -5.349) 9.586 12.871 ( 0.668 -2.906 -9.959) 10.396 13.090 ( 1.695 17.689 -26.915) 32.252 18.025 ( -1.668 -1.685 12.740) 12.959 18.041 ( -0.592 -0.185 14.095) 14.108 18.549 ( 0.170 -2.842 -6.616) 7.202 18.574 ( 0.495 -1.268 -6.561) 6.701 ======================= Grid point 520 (239/322) ======================= q-point: (-0.46 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.394 0.946 -1.724) 2.006 1.579 ( -0.003 -1.271 -1.822) 2.222 2.031 ( 0.906 1.247 -2.222) 2.704 2.081 ( -0.419 0.380 -2.160) 2.233 2.501 ( -1.237 6.057 4.671) 7.748 2.557 ( 0.818 -0.589 0.951) 1.386 2.615 ( 0.549 3.329 -0.865) 3.483 2.659 ( -0.616 2.578 -0.089) 2.652 2.721 ( 0.592 -0.129 -0.718) 0.940 2.727 ( -0.109 -0.285 0.231) 0.383 2.838 ( -0.287 1.592 0.042) 1.618 2.852 ( -0.064 -0.149 -0.543) 0.566 4.901 ( -0.624 12.806 -0.998) 12.860 5.033 ( 0.772 0.486 -0.238) 0.943 5.543 ( 0.394 10.484 -4.925) 11.590 5.609 ( 0.190 9.113 -4.704) 10.257 6.099 ( -0.343 7.265 4.772) 8.699 6.414 ( -0.418 -18.655 6.093) 19.630 7.606 ( -0.674 0.220 3.172) 3.251 7.644 ( 0.413 -0.762 3.044) 3.165 10.005 ( -0.337 7.745 9.396) 12.181 10.063 ( -0.690 3.742 8.973) 9.746 10.184 ( -0.129 7.557 -3.775) 8.449 10.294 ( 0.747 -3.932 -6.238) 7.411 10.440 ( -0.314 15.614 5.407) 16.527 10.824 ( -0.897 -18.683 7.236) 20.056 11.293 ( 0.344 7.028 -1.224) 7.142 11.372 ( -0.714 -2.502 5.596) 6.171 11.968 ( -0.225 2.214 5.448) 5.885 12.060 ( 0.195 -7.744 -4.996) 9.218 12.869 ( 0.628 2.953 -10.114) 10.555 13.091 ( 1.738 -17.672 -26.774) 32.128 18.025 ( -0.562 1.453 12.776) 12.871 18.043 ( -0.594 0.186 13.941) 13.954 18.553 ( 1.088 2.977 -6.901) 7.594 18.566 ( -0.084 1.498 -6.034) 6.218 ======================= Grid point 521 (240/322) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.589 1.693 0.266) 1.812 1.609 ( -0.127 -1.697 -0.914) 1.932 1.978 ( 2.011 4.728 -2.987) 5.943 2.059 ( -1.318 1.538 -2.955) 3.583 2.342 ( -0.952 8.993 7.743) 11.905 2.482 ( 1.277 8.328 -5.040) 9.818 2.515 ( 0.172 7.245 0.299) 7.253 2.554 ( -0.700 7.227 0.023) 7.261 2.709 ( -0.223 2.631 0.080) 2.642 2.737 ( 0.429 -0.778 2.055) 2.239 2.816 ( 0.375 -0.491 0.102) 0.626 2.841 ( -0.719 0.726 -1.005) 1.433 4.518 ( -0.040 24.484 -1.811) 24.551 4.910 ( 0.305 12.992 -0.649) 13.011 5.208 ( 0.196 23.129 -4.698) 23.602 5.293 ( 0.403 13.299 -4.694) 14.109 6.114 ( 0.012 -3.612 2.966) 4.674 6.754 ( -0.432 -14.334 7.908) 16.377 7.599 ( -0.565 0.811 3.322) 3.465 7.643 ( -0.242 1.492 4.361) 4.616 9.772 ( -0.243 14.784 8.418) 17.015 9.852 ( -0.258 15.267 4.467) 15.909 10.072 ( -0.479 3.287 3.119) 4.556 10.204 ( 0.338 10.479 -1.130) 10.546 10.279 ( 0.727 5.283 -11.094) 12.309 10.999 ( -0.696 8.907 2.050) 9.167 11.165 ( -0.047 -2.269 -1.170) 2.554 11.479 ( -1.005 -8.532 7.824) 11.620 12.004 ( 0.079 -5.352 3.410) 6.346 12.280 ( 0.477 -16.139 -11.056) 19.569 13.010 ( -0.818 -16.559 12.995) 21.065 13.531 ( 2.003 -25.042 -32.430) 41.022 17.973 ( -0.012 4.163 10.379) 11.183 18.016 ( -0.026 3.132 13.962) 14.309 18.443 ( 1.288 8.373 -6.712) 10.808 18.495 ( 0.074 5.666 -4.213) 7.061 ======================= Grid point 522 (241/322) ======================= q-point: (-0.31 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.742 4.689 5.540) 7.296 1.636 ( -0.481 -0.712 0.296) 0.909 1.856 ( 1.868 7.675 -3.833) 8.780 1.998 ( -1.809 4.260 -4.530) 6.476 2.142 ( -0.130 11.106 5.986) 12.617 2.265 ( 1.297 13.203 -3.349) 13.683 2.320 ( 0.035 11.450 0.329) 11.454 2.379 ( -0.513 9.397 -0.398) 9.419 2.629 ( -0.843 4.174 0.824) 4.338 2.750 ( 0.498 -0.072 0.908) 1.038 2.825 ( -0.979 0.361 -1.562) 1.878 2.851 ( 1.031 -1.911 0.481) 2.224 3.958 ( 0.354 30.088 0.741) 30.099 4.463 ( 0.228 26.865 -9.798) 28.596 4.902 ( 0.333 9.261 -2.227) 9.531 5.049 ( 0.363 10.268 -4.198) 11.099 6.146 ( 0.215 1.515 3.916) 4.205 6.940 ( 0.620 -2.050 9.166) 9.413 7.533 ( -0.974 6.155 6.679) 9.134 7.597 ( -1.853 2.296 3.368) 4.477 9.344 ( -0.827 26.697 12.180) 29.356 9.594 ( 0.072 12.172 -0.705) 12.192 9.893 ( 1.024 17.009 -10.674) 20.107 10.040 ( -0.074 0.183 5.676) 5.679 10.242 ( 0.712 -1.630 -10.975) 11.118 10.684 ( -0.286 16.867 -3.931) 17.322 11.286 ( -0.018 -8.518 1.136) 8.593 11.583 ( -0.422 -0.332 -3.324) 3.367 12.268 ( -0.610 -22.049 11.046) 24.668 12.708 ( -0.173 -25.276 -10.502) 27.371 13.468 ( -1.436 -27.453 22.214) 35.344 14.060 ( 1.900 -27.149 -32.612) 42.476 17.849 ( 0.114 8.855 7.136) 11.373 17.906 ( 0.932 8.754 12.935) 15.647 18.216 ( 1.860 14.978 -5.477) 16.056 18.331 ( -0.053 10.715 -1.923) 10.886 ======================= Grid point 523 (242/322) ======================= q-point: (-0.23 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 0.644 8.585 13.902) 16.352 1.599 ( -0.635 5.510 0.799) 5.604 1.695 ( 0.859 9.515 -3.741) 10.260 1.845 ( -1.599 10.528 -6.980) 12.732 1.904 ( 0.451 12.033 -0.513) 12.052 1.985 ( 1.203 14.570 -2.627) 14.853 2.099 ( 0.102 9.093 1.959) 9.303 2.209 ( -0.616 6.346 2.548) 6.866 2.555 ( -1.056 2.646 1.786) 3.362 2.737 ( 0.669 1.997 0.521) 2.170 2.817 ( -1.318 -0.039 -2.634) 2.946 2.875 ( 1.537 0.761 -1.158) 2.069 3.395 ( -0.279 23.221 11.745) 26.024 4.003 ( 1.179 16.736 -22.097) 27.745 4.760 ( -0.030 5.311 0.404) 5.327 4.904 ( 0.506 4.080 -5.838) 7.140 6.026 ( 0.381 11.309 6.749) 13.176 6.792 ( 1.559 16.718 8.545) 18.840 7.322 ( -1.622 15.828 10.007) 18.796 7.530 ( -2.025 5.524 -1.021) 5.971 8.794 ( -1.717 25.263 23.119) 34.288 9.297 ( 0.659 14.734 -17.259) 22.702 9.651 ( 0.175 7.561 -7.145) 10.405 10.007 ( 0.109 7.480 1.212) 7.578 10.311 ( 0.940 -7.015 -7.356) 10.208 10.485 ( -0.178 0.155 -4.229) 4.236 11.515 ( 0.603 -10.122 -2.104) 10.356 11.581 ( 0.096 -6.583 -6.643) 9.353 12.783 ( -2.262 -26.049 22.256) 34.337 13.250 ( -0.250 -28.890 -17.554) 33.806 14.060 ( -1.464 -30.611 21.558) 37.470 14.608 ( 1.541 -27.738 -28.764) 39.989 17.609 ( 0.128 15.495 3.951) 15.991 17.666 ( 1.945 16.238 10.588) 19.482 17.851 ( 2.679 22.129 -3.393) 22.547 18.060 ( -0.267 16.297 0.294) 16.302 ======================= Grid point 524 (243/322) ======================= q-point: (-0.15 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 0.220 7.307 19.561) 20.882 1.377 ( -0.185 15.446 2.579) 15.661 1.425 ( -0.415 16.730 2.062) 16.862 1.643 ( -1.529 11.448 -5.060) 12.610 1.661 ( 0.642 10.751 -6.665) 12.665 1.705 ( 1.610 11.375 -10.835) 15.792 2.005 ( -0.180 1.043 5.417) 5.519 2.132 ( -0.832 1.585 4.922) 5.237 2.513 ( -0.740 1.360 1.823) 2.392 2.653 ( -0.474 5.316 8.291) 9.861 2.814 ( -0.467 -0.064 -4.629) 4.653 2.840 ( 1.656 1.259 -5.098) 5.506 3.138 ( -1.391 3.310 22.364) 22.651 3.829 ( 2.049 0.794 -31.428) 31.504 4.688 ( -0.372 2.058 4.543) 5.001 4.877 ( 0.813 -0.950 -9.082) 9.168 5.690 ( 0.020 22.116 12.059) 25.190 6.365 ( 1.539 24.574 4.328) 24.999 6.894 ( -1.131 24.940 8.836) 26.483 7.246 ( -0.615 22.392 -6.054) 23.204 8.450 ( -2.341 8.102 33.561) 34.605 9.096 ( 0.179 4.790 -25.977) 26.415 9.524 ( -0.665 5.623 -2.082) 6.033 9.821 ( 0.478 7.478 -9.885) 12.404 10.531 ( 0.363 -10.890 -0.612) 10.913 10.570 ( 0.026 -7.587 -2.820) 8.094 11.628 ( -0.045 -8.868 -2.630) 9.250 11.978 ( 1.106 -25.487 -7.544) 26.603 13.217 ( -3.236 -16.713 29.018) 33.643 13.825 ( 0.015 -27.142 -26.911) 38.222 14.672 ( -1.149 -30.450 16.803) 34.797 15.187 ( 0.889 -30.516 -19.765) 36.369 17.225 ( 0.457 22.988 2.471) 23.125 17.284 ( 1.918 22.244 6.179) 23.165 17.364 ( 3.543 26.769 -0.536) 27.008 17.676 ( -0.294 21.752 1.264) 21.790 ======================= Grid point 525 (244/322) ======================= q-point: (-0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.433 11.560 5.640) 12.870 1.076 ( 0.549 11.041 6.648) 12.899 1.126 ( -0.876 7.721 16.635) 18.361 1.398 ( -0.559 10.119 -0.943) 10.179 1.412 ( 0.507 10.895 -0.643) 10.926 1.607 ( 0.272 1.921 -22.997) 23.079 2.010 ( -0.546 -0.710 8.568) 8.614 2.120 ( -0.699 -0.042 6.174) 6.213 2.489 ( 0.228 0.814 0.117) 0.854 2.634 ( -1.359 -3.088 10.442) 10.973 2.823 ( 0.163 -0.789 -5.626) 5.683 2.850 ( 1.146 -1.464 -5.217) 5.538 3.158 ( -2.100 -3.934 30.814) 31.135 3.925 ( 2.143 -8.524 -33.626) 34.756 4.644 ( -0.810 3.998 11.347) 12.058 4.920 ( 1.379 -2.330 -12.307) 12.601 5.226 ( -1.058 20.188 15.999) 25.780 5.907 ( 1.362 19.164 -3.562) 19.540 6.415 ( -0.505 19.918 5.699) 20.723 6.757 ( 0.083 21.817 -3.862) 22.156 8.391 ( -1.805 0.087 33.961) 34.009 9.057 ( 0.124 -0.343 -28.104) 28.106 9.425 ( -0.989 3.444 3.807) 5.228 9.734 ( 0.595 1.807 -17.449) 17.552 10.649 ( 0.364 -3.506 2.551) 4.351 10.764 ( -0.337 -7.591 -5.872) 9.603 11.892 ( -0.417 -15.443 5.696) 16.465 12.516 ( 1.072 -25.030 -12.437) 27.970 13.434 ( -3.091 -5.629 31.912) 32.552 14.232 ( 0.699 -12.728 -34.130) 36.433 15.301 ( -0.836 -32.429 13.437) 35.112 15.818 ( 0.284 -31.536 -10.660) 33.290 16.706 ( 0.360 28.465 2.260) 28.556 16.827 ( 0.490 21.965 0.770) 21.984 16.883 ( 3.378 19.721 3.050) 20.239 17.197 ( 0.382 25.315 0.424) 25.321 ======================= Grid point 527 (245/322) ======================= q-point: ( 0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.221 -0.000 3.518) 3.525 0.938 ( -0.180 -0.000 2.596) 2.602 1.095 ( -0.351 -0.000 24.603) 24.606 1.281 ( -0.593 -0.000 -0.082) 0.599 1.301 ( 0.633 0.000 -0.765) 0.992 1.567 ( -0.874 -0.000 -23.053) 23.070 2.015 ( -1.172 -0.000 9.784) 9.853 2.123 ( 0.199 0.000 6.635) 6.638 2.494 ( 1.501 0.000 -0.752) 1.678 2.669 ( -1.160 -0.000 3.752) 3.927 2.829 ( 0.333 0.000 -4.411) 4.424 2.881 ( 0.352 0.000 -6.143) 6.153 3.227 ( -2.453 -0.000 39.066) 39.143 4.049 ( 2.057 0.000 -32.676) 32.741 4.539 ( -2.507 -0.000 20.868) 21.018 4.955 ( 1.829 0.000 -16.150) 16.253 5.014 ( -2.840 -0.000 13.527) 13.822 5.694 ( -1.689 -0.000 -7.154) 7.350 6.196 ( -0.319 -0.000 4.244) 4.256 6.514 ( 0.182 0.000 -2.263) 2.270 8.416 ( 0.819 0.000 33.136) 33.146 9.053 ( 1.559 0.000 -28.079) 28.123 9.388 ( -0.148 -0.000 6.283) 6.285 9.719 ( 2.009 0.000 -19.347) 19.451 10.694 ( 0.521 0.000 3.810) 3.846 10.829 ( -0.356 -0.000 -8.060) 8.068 12.087 ( -0.583 -0.000 9.092) 9.111 12.811 ( 0.886 0.000 -14.464) 14.491 13.475 ( -0.956 -0.000 34.005) 34.019 14.355 ( 5.528 0.000 -35.943) 36.366 15.823 ( -0.957 -0.000 15.372) 15.401 16.210 ( 0.310 0.000 1.398) 1.432 16.312 ( 0.649 0.000 -10.750) 10.770 16.501 ( -7.909 -0.000 4.304) 9.005 16.666 ( -3.480 -0.000 1.455) 3.772 16.838 ( 1.258 0.000 -2.083) 2.434 ======================= Grid point 528 (246/322) ======================= q-point: ( 0.15 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( -0.287 -12.162 4.904) 13.117 1.086 ( 0.104 -13.080 2.733) 13.363 1.132 ( -0.818 -4.978 21.214) 21.805 1.390 ( -0.343 -10.135 -0.557) 10.156 1.418 ( 0.341 -10.461 -1.385) 10.558 1.579 ( -0.659 -2.524 -21.846) 22.002 2.004 ( -1.164 0.687 8.921) 9.022 2.125 ( 0.512 -0.017 6.073) 6.095 2.506 ( 1.745 -0.780 -0.772) 2.061 2.619 ( -1.674 3.107 10.184) 10.778 2.823 ( 0.367 0.596 -3.599) 3.666 2.858 ( 0.590 1.357 -7.002) 7.157 3.153 ( -2.498 4.300 31.413) 31.804 3.923 ( 1.831 8.649 -33.468) 34.616 4.640 ( -1.108 -4.366 11.386) 12.245 4.930 ( 1.404 2.666 -13.035) 13.378 5.199 ( -4.191 -20.158 17.493) 27.017 5.891 ( -2.689 -19.214 -3.762) 19.763 6.416 ( -0.165 -20.025 5.776) 20.842 6.760 ( 0.767 -22.060 -3.939) 22.422 8.422 ( 1.020 0.206 33.645) 33.661 9.046 ( 2.136 0.230 -27.396) 27.480 9.421 ( 0.030 -3.211 4.360) 5.415 9.741 ( 2.420 -2.112 -17.211) 17.509 10.660 ( 0.525 3.589 2.437) 4.370 10.753 ( -0.287 7.324 -5.528) 9.180 11.891 ( -0.475 15.550 5.784) 16.598 12.515 ( 0.431 25.024 -12.585) 28.014 13.441 ( -0.230 5.740 32.409) 32.914 14.257 ( 6.651 12.782 -34.382) 37.279 15.303 ( -0.697 32.335 13.443) 35.025 15.816 ( 0.801 31.488 -10.343) 33.153 16.712 ( 0.253 -28.483 1.823) 28.542 16.753 ( -10.062 -22.029 5.309) 24.793 16.875 ( -3.967 -20.863 0.205) 21.238 17.212 ( 1.155 -24.863 -0.881) 24.906 ======================= Grid point 529 (247/322) ======================= q-point: ( 0.23 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -1.080 -7.302 19.438) 20.792 1.384 ( 0.377 -14.837 2.032) 14.980 1.411 ( -0.854 -16.774 2.071) 16.923 1.595 ( -0.774 -8.045 -10.426) 13.192 1.658 ( -0.107 -13.155 -3.166) 13.531 1.720 ( 0.744 -13.118 -7.742) 15.251 1.998 ( -0.940 -1.094 5.994) 6.165 2.143 ( 0.864 -1.782 4.520) 4.935 2.530 ( 1.713 -0.925 1.623) 2.534 2.639 ( -1.507 -5.887 6.745) 9.079 2.810 ( 0.422 0.691 -2.311) 2.449 2.856 ( 0.412 -1.363 -6.948) 7.093 3.129 ( -2.169 -3.765 23.215) 23.618 3.820 ( 1.351 -0.515 -31.019) 31.052 4.687 ( -0.254 -2.185 4.367) 4.889 4.883 ( 0.766 1.290 -9.402) 9.521 5.660 ( -3.669 -22.835 13.808) 26.937 6.341 ( -3.558 -24.475 4.170) 25.081 6.897 ( 0.217 -25.056 9.019) 26.630 7.260 ( 2.245 -22.996 -6.441) 23.986 8.475 ( -0.224 -6.588 33.834) 34.471 9.085 ( 2.384 -5.198 -25.485) 26.119 9.515 ( 0.244 -5.739 -1.213) 5.871 9.837 ( 1.933 -7.471 -10.415) 12.962 10.535 ( -0.083 12.050 -1.108) 12.101 10.571 ( 0.471 6.101 -2.788) 6.725 11.625 ( 0.196 8.697 -2.338) 9.008 11.977 ( -0.192 25.527 -7.943) 26.735 13.222 ( -0.193 16.991 29.505) 34.049 13.853 ( 5.413 27.727 -27.168) 39.194 14.680 ( -0.398 30.160 16.360) 34.314 15.182 ( 1.311 30.591 -19.513) 36.308 17.199 ( -7.081 -23.676 7.074) 25.705 17.238 ( -1.587 -23.471 4.018) 23.865 17.366 ( -3.066 -26.626 -2.449) 26.913 17.688 ( 0.864 -21.520 0.522) 21.544 ======================= Grid point 530 (248/322) ======================= q-point: ( 0.31 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -1.374 -8.123 13.624) 15.921 1.593 ( 0.135 -5.479 -2.000) 5.834 1.666 ( -1.278 -8.477 -2.850) 9.035 1.802 ( 0.308 -12.340 -1.676) 12.458 1.918 ( 0.316 -12.003 -1.997) 12.172 2.007 ( 0.116 -14.533 -3.874) 15.041 2.092 ( -0.482 -9.187 2.432) 9.516 2.226 ( 0.899 -6.481 1.467) 6.706 2.572 ( 1.707 -2.488 1.223) 3.255 2.738 ( -0.967 -2.858 -0.188) 3.023 2.802 ( 0.802 0.225 -0.692) 1.083 2.879 ( -0.880 0.080 -1.971) 2.160 3.399 ( -1.020 -23.706 11.412) 26.330 3.986 ( 0.898 -16.591 -21.212) 26.945 4.763 ( 0.109 -5.515 0.096) 5.517 4.903 ( 0.207 -3.710 -5.801) 6.888 6.008 ( -2.052 -12.123 7.794) 14.557 6.768 ( -3.523 -17.435 8.549) 19.735 7.331 ( 0.641 -16.178 10.202) 19.137 7.549 ( 2.892 -4.532 -1.176) 5.504 8.787 ( -1.594 -23.896 24.011) 33.913 9.295 ( 1.405 -15.099 -16.653) 22.523 9.649 ( 0.612 -8.101 -6.790) 10.588 10.016 ( 0.136 -6.664 0.413) 6.678 10.316 ( 0.247 6.987 -7.928) 10.571 10.496 ( 1.245 -0.754 -4.823) 5.038 11.531 ( 0.260 11.203 -2.283) 11.437 11.567 ( 0.222 5.202 -6.677) 8.467 12.783 ( -0.565 26.186 22.453) 34.499 13.271 ( 3.368 29.431 -17.508) 34.410 14.072 ( -0.690 30.689 20.861) 37.115 14.603 ( 1.933 27.606 -28.791) 39.934 17.589 ( -3.122 -16.381 6.984) 18.079 17.635 ( -3.048 -16.822 8.948) 19.296 17.850 ( -2.114 -21.947 -4.788) 22.563 18.071 ( 0.677 -16.256 -0.325) 16.273 ======================= Grid point 531 (249/322) ======================= q-point: ( 0.38 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -1.095 -3.861 4.528) 6.050 1.632 ( 0.351 0.614 0.530) 0.884 1.820 ( -1.964 -8.117 -3.313) 8.984 1.988 ( 1.673 -5.543 -1.109) 5.895 2.142 ( -0.454 -10.504 3.167) 10.981 2.289 ( -0.603 -13.209 -3.137) 13.590 2.319 ( 0.231 -11.737 -0.118) 11.739 2.395 ( 0.807 -8.993 -1.537) 9.159 2.643 ( 1.412 -3.837 0.297) 4.099 2.761 ( -0.731 -0.386 -0.405) 0.920 2.809 ( 0.868 -0.573 0.588) 1.195 2.845 ( -1.149 2.452 0.272) 2.721 3.968 ( -0.155 -30.181 -0.131) 30.182 4.446 ( 0.563 -27.187 -8.483) 28.486 4.908 ( 0.128 -9.191 -2.767) 9.599 5.042 ( -0.040 -10.125 -3.704) 10.781 6.141 ( -0.849 -2.079 4.187) 4.751 6.939 ( -1.815 0.822 8.328) 8.562 7.549 ( 0.371 -6.066 8.109) 10.134 7.582 ( 1.168 -0.880 3.493) 3.787 9.323 ( -1.281 -26.799 12.904) 29.771 9.589 ( -0.130 -11.741 0.054) 11.742 9.897 ( 0.407 -16.694 -10.200) 19.568 10.048 ( -0.402 -0.464 4.311) 4.354 10.245 ( 0.772 1.264 -11.331) 11.427 10.703 ( 1.269 -16.625 -4.797) 17.350 11.288 ( -0.082 8.784 0.841) 8.825 11.585 ( 0.877 0.282 -2.814) 2.961 12.270 ( -0.752 21.802 10.529) 24.223 12.723 ( 1.874 25.521 -10.766) 27.762 13.479 ( -1.097 27.696 21.454) 35.051 14.057 ( 2.227 27.012 -32.699) 42.472 17.834 ( -1.948 -9.178 8.192) 12.456 17.888 ( -2.502 -9.295 12.733) 15.963 18.212 ( -1.103 -14.866 -6.307) 16.186 18.343 ( 0.551 -10.699 -2.605) 11.025 ======================= Grid point 532 (250/322) ======================= q-point: ( 0.46 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -0.589 -1.308 -0.242) 1.455 1.607 ( 0.230 1.560 -0.635) 1.701 1.953 ( -1.489 -5.422 -2.256) 6.058 2.062 ( 1.330 -1.848 -1.910) 2.972 2.332 ( -0.205 -8.392 6.220) 10.448 2.510 ( -0.720 -8.809 -2.626) 9.220 2.521 ( 0.046 -7.673 -3.024) 8.247 2.559 ( 0.935 -6.572 -0.414) 6.652 2.712 ( 0.324 -1.531 -0.092) 1.568 2.761 ( -0.720 0.643 -0.625) 1.150 2.795 ( -0.026 0.562 2.020) 2.097 2.831 ( 0.445 -1.254 0.434) 1.399 4.529 ( 0.461 -24.486 -2.656) 24.634 4.904 ( -0.297 -13.413 -0.374) 13.422 5.206 ( 0.354 -22.590 -4.214) 22.983 5.286 ( 0.113 -13.554 -4.341) 14.232 6.117 ( -0.344 3.305 2.685) 4.272 6.762 ( -0.496 14.524 7.249) 16.240 7.605 ( 0.206 -0.731 4.249) 4.316 7.626 ( -0.509 -1.664 4.580) 4.900 9.767 ( -0.921 -15.650 8.617) 17.890 9.830 ( -0.507 -14.623 5.575) 15.658 10.080 ( 0.176 -3.090 2.270) 3.838 10.191 ( -0.319 -10.512 -0.188) 10.518 10.301 ( 0.873 -5.470 -12.070) 13.280 11.011 ( 0.565 -8.211 1.773) 8.419 11.162 ( 0.149 2.204 -1.154) 2.492 11.476 ( -0.085 8.664 8.605) 12.211 12.010 ( -0.413 5.668 2.586) 6.244 12.296 ( 1.153 15.743 -12.524) 20.150 13.015 ( -0.784 16.855 12.789) 21.172 13.530 ( 2.153 25.032 -32.550) 41.118 17.962 ( -1.805 -4.441 10.725) 11.747 18.008 ( -1.455 -3.517 14.125) 14.629 18.438 ( -0.330 -8.274 -7.007) 10.847 18.507 ( 0.475 -5.593 -4.839) 7.411 ======================= Grid point 533 (251/322) ======================= q-point: ( 0.54 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -0.159 -0.900 -1.762) 1.985 1.579 ( 0.230 1.150 -1.808) 2.156 2.022 ( -0.472 -2.080 -1.942) 2.884 2.084 ( 0.560 -0.202 -1.985) 2.072 2.477 ( 0.280 -5.690 4.846) 7.479 2.591 ( -0.876 1.011 0.211) 1.354 2.629 ( -0.249 -3.034 -2.285) 3.806 2.654 ( 0.606 -2.274 0.357) 2.381 2.712 ( -0.005 0.027 -0.476) 0.477 2.732 ( -0.375 0.604 -0.127) 0.722 2.831 ( 0.432 -1.902 0.646) 2.054 2.851 ( 0.055 -0.313 -0.222) 0.388 4.912 ( 0.827 -12.679 -1.475) 12.791 5.026 ( -0.774 -0.300 -0.084) 0.834 5.539 ( 0.289 -10.788 -4.735) 11.785 5.607 ( 0.369 -9.320 -4.314) 10.277 6.104 ( -0.277 -7.113 4.283) 8.307 6.414 ( -0.375 19.038 6.043) 19.978 7.612 ( -0.026 0.150 3.511) 3.515 7.634 ( -0.474 -0.048 3.001) 3.038 10.008 ( -0.939 -8.342 9.421) 12.619 10.047 ( -0.413 -4.447 9.037) 10.080 10.178 ( 0.573 -6.523 -3.117) 7.252 10.311 ( 0.063 4.346 -7.111) 8.334 10.440 ( -0.367 -16.364 5.547) 17.283 10.821 ( -0.039 18.984 7.759) 20.508 11.293 ( -0.167 -6.756 -1.240) 6.870 11.374 ( -0.032 2.227 5.804) 6.216 11.958 ( -0.371 -1.341 4.820) 5.016 12.082 ( 0.332 7.936 -5.673) 9.761 12.871 ( 0.644 -2.918 -9.974) 10.412 13.090 ( 1.717 17.709 -26.924) 32.271 18.018 ( -1.613 -1.786 12.869) 13.092 18.044 ( -0.607 -0.511 14.021) 14.043 18.547 ( 0.139 -3.036 -6.956) 7.591 18.574 ( 0.511 -1.221 -6.279) 6.417 ======================= Grid point 534 (252/322) ======================= q-point: (-0.38 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 0.352 0.845 -1.739) 1.965 1.578 ( 0.014 -1.289 -1.798) 2.212 2.037 ( 0.864 0.633 -2.183) 2.432 2.077 ( -0.486 0.873 -2.132) 2.354 2.493 ( -1.352 5.910 4.466) 7.530 2.564 ( 0.852 -0.536 1.178) 1.550 2.620 ( 0.898 3.383 -0.950) 3.626 2.654 ( -0.598 2.593 -0.285) 2.676 2.724 ( 0.080 0.303 0.126) 0.338 2.728 ( 0.358 -0.966 -0.322) 1.079 2.835 ( -0.468 1.625 -0.202) 1.704 2.851 ( 0.007 0.134 -0.397) 0.419 4.896 ( -0.376 12.737 -1.018) 12.783 5.038 ( 0.591 0.500 -0.241) 0.811 5.543 ( 0.344 10.478 -4.831) 11.543 5.608 ( 0.150 9.195 -4.729) 10.341 6.099 ( -0.252 7.192 4.695) 8.593 6.413 ( -0.400 -18.617 6.072) 19.586 7.603 ( -0.502 0.257 3.109) 3.159 7.648 ( 0.189 -0.832 3.151) 3.264 10.007 ( -0.350 7.685 9.511) 12.232 10.061 ( -0.924 3.624 9.030) 9.774 10.180 ( -0.243 7.461 -4.036) 8.486 10.298 ( 1.037 -3.615 -5.999) 7.080 10.440 ( -0.304 15.562 5.372) 16.465 10.821 ( -0.907 -18.474 7.130) 19.823 11.295 ( 0.306 7.097 -1.274) 7.217 11.370 ( -0.665 -2.497 5.490) 6.067 11.969 ( -0.365 2.153 5.303) 5.735 12.060 ( 0.497 -7.743 -4.707) 9.074 12.869 ( 0.657 2.935 -10.090) 10.529 13.092 ( 1.711 -17.653 -26.776) 32.118 18.026 ( -0.784 1.025 13.185) 13.248 18.046 ( -0.520 0.229 13.475) 13.487 18.558 ( 0.728 3.032 -6.786) 7.468 18.563 ( 0.320 1.282 -6.097) 6.238 ======================= Grid point 535 (253/322) ======================= q-point: (-0.31 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.538 1.519 0.212) 1.625 1.607 ( -0.149 -1.616 -0.870) 1.841 1.992 ( 1.829 4.634 -2.646) 5.641 2.046 ( -1.542 1.724 -2.902) 3.711 2.338 ( -1.010 8.712 7.433) 11.497 2.491 ( 1.543 8.327 -4.983) 9.826 2.517 ( 0.324 7.382 0.449) 7.403 2.548 ( -0.642 7.223 -0.313) 7.258 2.707 ( -0.143 2.898 0.028) 2.902 2.743 ( 0.899 -0.713 2.352) 2.616 2.816 ( -0.587 -0.935 -0.429) 1.185 2.836 ( -0.313 0.882 -0.680) 1.157 4.518 ( 0.176 24.287 -1.875) 24.360 4.912 ( 0.150 13.332 -0.623) 13.347 5.208 ( 0.193 22.936 -4.678) 23.409 5.293 ( 0.269 13.279 -4.598) 14.055 6.115 ( 0.026 -3.669 2.858) 4.651 6.755 ( -0.329 -14.512 7.779) 16.469 7.597 ( -0.374 0.733 3.177) 3.282 7.642 ( -0.536 1.987 4.664) 5.097 9.774 ( -0.365 14.837 8.500) 17.103 9.851 ( -0.619 15.264 4.772) 16.005 10.070 ( -0.297 3.078 2.771) 4.152 10.205 ( 0.009 9.938 -0.762) 9.968 10.281 ( 1.132 5.846 -11.281) 12.756 10.995 ( -0.430 8.657 2.062) 8.910 11.164 ( -0.028 -1.998 -1.390) 2.434 11.475 ( -0.947 -8.392 7.569) 11.341 12.007 ( 0.110 -5.488 3.447) 6.481 12.279 ( 0.746 -15.896 -10.922) 19.301 13.010 ( -0.746 -16.561 13.015) 21.077 13.530 ( 1.998 -25.004 -32.421) 40.991 17.977 ( -0.270 4.098 10.618) 11.385 18.022 ( -0.339 2.839 13.588) 13.885 18.449 ( 1.016 8.153 -6.409) 10.420 18.494 ( 0.350 5.682 -4.421) 7.207 ======================= Grid point 536 (254/322) ======================= q-point: (-0.23 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.710 4.456 5.394) 7.032 1.632 ( -0.474 -0.611 0.423) 0.881 1.866 ( 0.913 7.909 -3.012) 8.512 1.982 ( -1.539 4.435 -4.339) 6.393 2.143 ( -0.163 10.834 5.278) 12.053 2.274 ( 1.429 13.209 -3.200) 13.666 2.321 ( -0.056 11.496 0.595) 11.512 2.377 ( -0.063 9.308 -1.146) 9.378 2.624 ( -0.420 4.335 0.708) 4.413 2.756 ( 0.858 -0.007 1.165) 1.447 2.815 ( -1.333 0.375 -1.595) 2.112 2.858 ( 0.696 -2.095 0.370) 2.238 3.961 ( 0.405 29.988 0.765) 30.001 4.460 ( 0.061 26.875 -9.688) 28.568 4.904 ( 0.383 9.319 -2.364) 9.622 5.049 ( 0.210 10.232 -4.082) 11.018 6.149 ( -0.006 1.407 3.876) 4.124 6.948 ( 0.283 -2.560 9.032) 9.392 7.530 ( -0.513 6.570 6.622) 9.342 7.584 ( -1.694 2.608 3.621) 4.773 9.342 ( -1.161 26.769 12.198) 29.440 9.594 ( -0.038 12.107 -0.380) 12.113 9.896 ( 0.985 17.160 -10.516) 20.150 10.043 ( -0.017 0.146 5.354) 5.356 10.242 ( 0.739 -1.821 -10.876) 11.052 10.681 ( 0.202 16.994 -4.221) 17.511 11.287 ( 0.020 -8.724 1.040) 8.786 11.579 ( -0.234 -0.376 -3.256) 3.286 12.269 ( -0.586 -21.746 10.729) 24.255 12.703 ( 0.314 -25.006 -10.351) 27.065 13.469 ( -1.268 -27.420 22.244) 35.330 14.058 ( 1.913 -27.102 -32.611) 42.446 17.852 ( -0.209 8.876 7.297) 11.493 17.917 ( 0.017 8.354 12.553) 15.079 18.226 ( 1.364 14.631 -5.203) 15.588 18.331 ( 0.228 10.776 -2.112) 10.983 ======================= Grid point 537 (255/322) ======================= q-point: (-0.15 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 0.569 8.500 14.036) 16.419 1.595 ( -0.489 5.439 0.930) 5.539 1.697 ( -0.063 9.645 -3.173) 10.154 1.827 ( -1.762 10.418 -6.613) 12.464 1.908 ( 0.654 12.169 -1.011) 12.228 1.994 ( 1.238 14.696 -2.984) 15.047 2.100 ( -0.184 8.974 2.086) 9.215 2.208 ( 0.024 6.489 2.123) 6.827 2.551 ( -0.345 2.716 1.697) 3.221 2.743 ( 0.670 2.154 0.731) 2.371 2.806 ( -1.203 -0.052 -2.539) 2.810 2.884 ( 0.923 0.502 -1.411) 1.759 3.398 ( -0.417 23.330 12.027) 26.251 4.000 ( 0.945 16.582 -22.151) 27.686 4.760 ( 0.042 5.386 0.307) 5.395 4.905 ( 0.430 4.020 -5.814) 7.082 6.030 ( -0.354 11.186 6.850) 13.121 6.803 ( 0.118 16.590 8.690) 18.729 7.316 ( -1.014 15.899 9.903) 18.758 7.518 ( -0.705 5.414 -0.863) 5.528 8.792 ( -1.773 25.149 22.993) 34.122 9.294 ( 0.802 15.121 -17.023) 22.783 9.649 ( 0.242 7.800 -6.957) 10.455 10.009 ( 0.238 7.553 0.928) 7.613 10.314 ( 0.841 -7.019 -7.469) 10.284 10.483 ( 0.266 0.087 -4.337) 4.346 11.520 ( 0.717 -9.536 -2.260) 9.827 11.578 ( -0.065 -7.314 -6.513) 9.793 12.777 ( -1.853 -25.739 21.956) 33.882 13.243 ( 0.780 -28.659 -17.384) 33.528 14.060 ( -1.179 -30.550 21.673) 37.476 14.605 ( 1.568 -27.697 -28.771) 39.967 17.611 ( -0.207 15.473 4.029) 15.991 17.678 ( -0.102 15.891 10.153) 18.858 17.866 ( 1.601 21.660 -3.176) 21.950 18.059 ( 0.106 16.366 0.133) 16.367 ======================= Grid point 538 (256/322) ======================= q-point: (-0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.102 7.396 19.913) 21.243 1.378 ( 0.047 15.233 2.600) 15.453 1.422 ( -0.661 16.809 2.231) 16.969 1.626 ( -1.700 9.764 -7.889) 12.668 1.661 ( 0.253 11.948 -4.818) 12.886 1.712 ( 1.453 11.983 -10.042) 15.702 2.005 ( -0.520 1.066 5.420) 5.548 2.131 ( -0.134 1.676 4.899) 5.180 2.512 ( 0.187 1.225 1.836) 2.215 2.651 ( -0.899 5.595 7.930) 9.747 2.809 ( -0.153 -0.589 -3.894) 3.942 2.850 ( 1.336 1.585 -5.764) 6.126 3.137 ( -1.762 3.428 22.803) 23.126 3.828 ( 1.756 0.680 -31.464) 31.520 4.687 ( -0.331 2.086 4.434) 4.911 4.879 ( 0.854 -1.036 -9.165) 9.263 5.690 ( -1.463 22.136 12.417) 25.423 6.371 ( -0.421 24.440 4.523) 24.858 6.891 ( -0.659 24.863 8.820) 26.389 7.243 ( 0.514 22.296 -6.008) 23.097 8.452 ( -1.399 7.961 33.471) 34.433 9.086 ( 0.794 5.095 -25.964) 26.471 9.519 ( -0.472 5.738 -1.840) 6.044 9.822 ( 1.121 7.665 -10.061) 12.698 10.534 ( 0.292 -11.174 -0.686) 11.199 10.569 ( 0.141 -7.188 -2.867) 7.740 11.626 ( -0.002 -8.867 -2.482) 9.208 11.981 ( 0.684 -25.529 -7.691) 26.671 13.210 ( -2.181 -16.593 28.880) 33.379 13.819 ( 1.968 -26.903 -26.767) 38.001 14.672 ( -0.864 -30.400 16.906) 34.795 15.184 ( 0.979 -30.503 -19.712) 36.331 17.228 ( -0.009 22.744 2.153) 22.846 17.287 ( -1.830 22.466 6.224) 23.384 17.383 ( 1.363 26.225 -0.505) 26.265 17.677 ( 0.288 21.723 1.070) 21.751 ======================= Grid point 541 (257/322) ======================= q-point: ( 0.15 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.221 -0.000 3.470) 3.477 0.937 ( -0.210 -0.000 2.599) 2.608 1.104 ( -0.586 -0.000 23.841) 23.848 1.276 ( -0.535 -0.000 0.177) 0.563 1.305 ( 0.548 0.000 -1.015) 1.154 1.549 ( -0.712 -0.000 -22.109) 22.121 2.010 ( -1.322 -0.000 10.052) 10.138 2.130 ( 0.622 0.000 6.443) 6.473 2.506 ( 1.767 0.000 -1.176) 2.122 2.663 ( -0.997 -0.000 3.830) 3.957 2.830 ( 0.375 0.000 -3.555) 3.574 2.879 ( 0.030 0.000 -6.801) 6.801 3.227 ( -2.450 -0.000 39.083) 39.160 4.049 ( 2.101 0.000 -32.659) 32.727 4.527 ( -3.138 -0.000 21.853) 22.077 4.960 ( 1.576 0.000 -17.044) 17.117 4.995 ( -3.441 -0.000 13.828) 14.250 5.671 ( -3.238 -0.000 -7.314) 7.999 6.196 ( -0.315 -0.000 4.267) 4.279 6.514 ( 0.194 0.000 -2.268) 2.277 8.443 ( 1.743 0.000 32.855) 32.901 9.056 ( 2.569 0.000 -27.290) 27.410 9.393 ( 0.462 0.000 6.800) 6.815 9.729 ( 2.969 0.000 -19.298) 19.525 10.699 ( 0.435 0.000 3.705) 3.731 10.823 ( -0.068 -0.000 -7.685) 7.685 12.086 ( -0.620 -0.000 9.066) 9.088 12.810 ( 0.866 0.000 -14.457) 14.483 13.490 ( 0.198 0.000 34.486) 34.486 14.393 ( 8.574 0.000 -36.309) 37.308 15.823 ( -0.954 -0.000 15.371) 15.400 16.214 ( 0.416 0.000 1.261) 1.328 16.312 ( 0.661 0.000 -10.730) 10.750 16.424 ( -12.306 -0.000 8.098) 14.731 16.626 ( -6.728 -0.000 -0.342) 6.737 16.844 ( 0.707 0.000 -3.010) 3.092 ======================= Grid point 542 (258/322) ======================= q-point: ( 0.23 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.255 -12.238 4.767) 13.136 1.087 ( -0.220 -13.431 2.125) 13.600 1.136 ( -1.034 -4.353 20.794) 21.270 1.388 ( -0.151 -10.269 -0.302) 10.275 1.420 ( 0.247 -10.151 -1.754) 10.304 1.564 ( -0.319 -2.808 -20.622) 20.815 1.999 ( -1.210 0.651 9.275) 9.376 2.134 ( 0.825 -0.050 5.853) 5.911 2.520 ( 1.759 -0.888 -1.104) 2.259 2.612 ( -1.293 3.240 9.940) 10.535 2.823 ( 0.005 0.641 -2.942) 3.011 2.858 ( 0.620 1.140 -7.616) 7.725 3.149 ( -2.532 4.561 31.623) 32.051 3.920 ( 1.754 8.819 -33.309) 34.502 4.637 ( -1.218 -4.821 11.844) 12.846 4.934 ( 1.202 2.754 -13.321) 13.656 5.173 ( -4.672 -19.998 18.016) 27.319 5.863 ( -3.802 -19.328 -4.211) 20.143 6.418 ( -0.085 -20.223 5.827) 21.046 6.765 ( 0.927 -22.434 -4.012) 22.809 8.449 ( 1.425 0.529 33.495) 33.530 9.053 ( 3.021 0.211 -26.665) 26.837 9.426 ( 0.533 -3.013 4.866) 5.748 9.754 ( 3.038 -2.045 -17.302) 17.685 10.665 ( 0.380 3.624 2.259) 4.288 10.749 ( -0.038 7.297 -5.218) 8.971 11.890 ( -0.483 15.560 5.758) 16.598 12.511 ( 0.186 25.213 -12.626) 28.198 13.459 ( 0.688 5.868 32.956) 33.481 14.301 ( 8.768 13.329 -35.190) 38.637 15.304 ( -0.662 32.217 13.357) 34.883 15.818 ( 1.076 31.498 -10.231) 33.136 16.663 ( -13.363 -22.987 8.813) 28.011 16.715 ( 0.214 -28.289 1.690) 28.340 16.834 ( -6.312 -21.825 -1.712) 22.784 17.220 ( 1.134 -24.858 -1.265) 24.916 ======================= Grid point 543 (259/322) ======================= q-point: ( 0.31 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -1.778 -7.148 18.719) 20.116 1.388 ( 0.378 -14.613 1.214) 14.669 1.406 ( -0.771 -16.742 1.893) 16.866 1.587 ( 0.081 -7.761 -10.398) 12.975 1.655 ( -0.099 -13.566 -2.577) 13.809 1.721 ( 0.468 -13.391 -6.861) 15.053 1.994 ( -0.933 -1.094 6.345) 6.506 2.152 ( 0.981 -1.757 4.332) 4.777 2.546 ( 1.960 -0.846 1.459) 2.586 2.630 ( -1.421 -5.900 6.398) 8.818 2.811 ( 0.001 0.392 -2.168) 2.203 2.856 ( 0.429 -0.959 -6.964) 7.043 3.123 ( -2.129 -3.900 23.026) 23.451 3.815 ( 1.341 -0.506 -30.631) 30.665 4.687 ( -0.214 -2.238 4.429) 4.967 4.884 ( 0.647 1.402 -9.497) 9.622 5.637 ( -3.796 -23.332 14.534) 27.749 6.313 ( -4.005 -24.651 3.664) 25.242 6.904 ( 0.331 -25.278 9.141) 26.883 7.276 ( 2.482 -23.602 -6.725) 24.666 8.491 ( -0.264 -5.697 34.179) 34.651 9.094 ( 2.962 -4.988 -25.115) 25.777 9.518 ( 0.613 -5.613 -0.960) 5.727 9.847 ( 1.952 -7.118 -10.517) 12.848 10.533 ( -0.199 12.294 -1.264) 12.360 10.574 ( 0.516 5.806 -2.778) 6.456 11.626 ( 0.266 8.560 -2.398) 8.894 11.970 ( -0.468 25.488 -7.989) 26.715 13.237 ( 0.325 17.409 30.125) 34.795 13.885 ( 6.084 28.672 -27.597) 40.258 14.685 ( -0.292 30.024 15.743) 33.902 15.183 ( 1.478 30.675 -19.413) 36.332 17.136 ( -9.217 -25.925 10.537) 29.464 17.231 ( -0.914 -22.920 2.644) 23.090 17.336 ( -4.061 -27.317 -3.754) 27.871 17.695 ( 0.853 -21.424 0.381) 21.444 ======================= Grid point 544 (260/322) ======================= q-point: ( 0.38 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -1.967 -8.087 13.367) 15.746 1.592 ( 0.124 -5.750 -4.396) 7.239 1.657 ( -0.679 -7.923 -1.698) 8.132 1.806 ( 0.824 -12.873 -0.173) 12.901 1.919 ( 0.292 -11.923 -2.171) 12.122 2.004 ( -0.349 -14.230 -3.998) 14.785 2.090 ( -0.354 -9.458 2.378) 9.758 2.234 ( 0.695 -6.305 1.639) 6.552 2.586 ( 1.801 -2.377 1.114) 3.184 2.731 ( -0.737 -2.924 -0.162) 3.019 2.807 ( 0.422 0.056 -0.557) 0.701 2.871 ( -0.828 0.240 -1.998) 2.176 3.396 ( -1.140 -23.755 10.853) 26.142 3.984 ( 1.136 -16.757 -20.753) 26.698 4.763 ( 0.097 -5.498 0.108) 5.500 4.902 ( 0.169 -3.635 -5.814) 6.859 5.996 ( -1.951 -12.604 8.103) 15.110 6.744 ( -3.502 -17.850 8.311) 19.999 7.341 ( 0.653 -16.231 10.366) 19.270 7.572 ( 2.996 -4.357 -1.389) 5.468 8.787 ( -1.504 -23.478 24.544) 33.998 9.298 ( 1.523 -14.719 -16.729) 22.335 9.651 ( 0.729 -7.987 -6.898) 10.579 10.017 ( -0.037 -6.240 0.482) 6.259 10.313 ( 0.094 6.973 -8.006) 10.617 10.504 ( 1.210 -1.074 -4.906) 5.166 11.530 ( -0.198 12.848 -2.173) 13.032 11.567 ( 0.592 3.222 -6.866) 7.607 12.791 ( -0.412 26.680 22.968) 35.206 13.289 ( 3.400 29.986 -17.674) 34.973 14.077 ( -0.766 30.827 20.354) 36.948 14.604 ( 2.058 27.608 -28.796) 39.945 17.563 ( -4.400 -17.997 10.238) 21.168 17.620 ( -1.990 -16.370 6.633) 17.775 17.829 ( -2.411 -22.498 -5.529) 23.292 18.076 ( 0.565 -16.155 -0.346) 16.168 ======================= Grid point 545 (261/322) ======================= q-point: ( 0.46 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -1.317 -3.972 4.581) 6.205 1.635 ( 0.370 0.658 0.310) 0.816 1.805 ( -1.276 -8.022 -3.772) 8.956 2.001 ( 1.771 -5.523 -0.783) 5.853 2.140 ( -0.520 -10.583 3.208) 11.071 2.281 ( -0.863 -13.191 -3.381) 13.645 2.320 ( 0.167 -11.734 -0.381) 11.741 2.400 ( 0.515 -9.041 -0.907) 9.101 2.654 ( 1.333 -3.582 0.269) 3.831 2.757 ( -0.246 -0.467 -0.277) 0.596 2.811 ( -0.528 -0.260 0.204) 0.623 2.839 ( -0.146 2.047 0.566) 2.129 3.966 ( -0.295 -30.337 -0.327) 30.340 4.448 ( 0.838 -27.232 -8.356) 28.497 4.907 ( 0.038 -9.101 -2.706) 9.495 5.040 ( 0.050 -10.144 -3.748) 10.814 6.136 ( -0.783 -2.312 4.298) 4.943 6.928 ( -1.865 0.022 8.322) 8.528 7.555 ( 0.202 -5.567 8.274) 9.974 7.594 ( 1.434 -0.269 3.403) 3.703 9.320 ( -0.976 -26.744 13.016) 29.759 9.588 ( -0.059 -11.722 -0.162) 11.723 9.895 ( 0.363 -16.455 -10.322) 19.428 10.046 ( -0.537 -0.569 4.426) 4.494 10.245 ( 0.724 0.979 -11.498) 11.562 10.709 ( 1.009 -16.430 -4.641) 17.103 11.288 ( -0.110 8.586 0.922) 8.636 11.591 ( 0.857 0.210 -2.836) 2.970 12.269 ( -0.786 22.130 10.827) 24.649 12.732 ( 1.721 25.890 -10.972) 28.172 13.481 ( -1.238 27.795 21.233) 34.999 14.058 ( 2.276 27.043 -32.722) 42.511 17.823 ( -2.015 -9.458 9.047) 13.243 17.876 ( -2.196 -9.671 12.247) 15.759 18.200 ( -1.049 -15.245 -6.728) 16.696 18.346 ( 0.380 -10.624 -2.524) 10.926 ======================= Grid point 546 (262/322) ======================= q-point: ( 0.54 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.571 -1.462 -0.191) 1.582 1.608 ( 0.232 1.631 -0.691) 1.787 1.942 ( -0.885 -5.624 -2.474) 6.208 2.071 ( 1.096 -1.581 -2.005) 2.779 2.334 ( -0.113 -8.612 6.397) 10.729 2.502 ( -0.812 -8.891 -3.894) 9.740 2.520 ( -0.171 -7.400 -1.915) 7.646 2.565 ( 0.665 -6.745 -0.126) 6.779 2.714 ( 0.153 -1.031 -0.125) 1.050 2.757 ( -0.316 1.277 -0.288) 1.347 2.793 ( -0.573 -0.861 1.507) 1.828 2.837 ( 0.850 -0.848 0.624) 1.353 4.531 ( 0.308 -24.719 -2.624) 24.860 4.902 ( -0.196 -13.054 -0.424) 13.062 5.207 ( 0.411 -22.792 -4.153) 23.171 5.285 ( 0.208 -13.567 -4.450) 14.280 6.115 ( -0.380 3.230 2.782) 4.280 6.761 ( -0.620 14.327 7.343) 16.111 7.609 ( 0.246 -0.786 4.894) 4.963 7.625 ( -0.377 -1.158 3.846) 4.034 9.764 ( -0.808 -15.618 8.534) 17.815 9.830 ( -0.192 -14.610 5.355) 15.562 10.082 ( 0.013 -3.290 2.550) 4.163 10.189 ( -0.156 -10.826 -0.458) 10.837 10.300 ( 0.611 -5.147 -11.990) 13.062 11.016 ( 0.326 -8.466 1.706) 8.643 11.163 ( 0.186 2.515 -0.871) 2.668 11.480 ( -0.090 8.822 8.923) 12.548 12.008 ( -0.486 5.539 2.494) 6.094 12.298 ( 0.914 15.980 -12.750) 20.463 13.015 ( -0.867 16.873 12.745) 21.163 13.530 ( 2.163 25.073 -32.572) 41.161 17.954 ( -1.594 -4.533 10.947) 11.955 18.004 ( -1.334 -3.861 14.037) 14.620 18.432 ( -0.196 -8.489 -7.303) 11.200 18.507 ( 0.333 -5.573 -4.660) 7.272 ======================= Grid point 547 (263/322) ======================= q-point: ( 0.62 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -0.088 -1.000 -1.743) 2.011 1.580 ( 0.200 1.143 -1.833) 2.170 2.018 ( -0.210 -2.384 -1.993) 3.114 2.087 ( 0.423 0.040 -2.025) 2.069 2.483 ( 0.540 -5.728 4.976) 7.607 2.582 ( -1.312 1.086 0.092) 1.706 2.624 ( -0.465 -3.520 -2.306) 4.234 2.660 ( 0.787 -1.907 0.639) 2.160 2.711 ( -0.087 -0.092 -0.650) 0.662 2.730 ( -0.186 0.416 -0.051) 0.459 2.835 ( 0.340 -1.744 0.625) 1.884 2.852 ( 0.112 -0.101 -0.268) 0.307 4.917 ( 0.598 -12.857 -1.401) 12.947 5.020 ( -0.579 -0.196 -0.134) 0.626 5.539 ( 0.365 -10.785 -4.795) 11.809 5.608 ( 0.384 -9.225 -4.337) 10.201 6.104 ( -0.369 -7.190 4.383) 8.429 6.415 ( -0.391 19.057 6.064) 20.003 7.613 ( -0.092 0.521 3.705) 3.742 7.632 ( -0.309 -0.426 2.760) 2.809 10.006 ( -0.941 -8.307 9.267) 12.481 10.049 ( -0.190 -4.541 8.945) 10.034 10.181 ( 0.512 -6.428 -2.878) 7.061 10.307 ( -0.039 4.245 -7.183) 8.343 10.440 ( -0.372 -16.261 5.520) 17.176 10.825 ( -0.080 19.153 7.828) 20.692 11.291 ( -0.128 -6.702 -1.189) 6.808 11.376 ( -0.115 2.246 5.873) 6.289 11.958 ( -0.216 -1.444 5.004) 5.213 12.081 ( 0.023 7.923 -5.911) 9.885 12.871 ( 0.619 -2.935 -10.005) 10.445 13.090 ( 1.739 17.723 -26.915) 32.273 18.013 ( -1.308 -1.907 12.997) 13.201 18.045 ( -0.754 -0.720 13.913) 13.952 18.545 ( 0.194 -3.134 -7.174) 7.831 18.575 ( 0.480 -1.282 -6.070) 6.223 ======================= Grid point 548 (264/322) ======================= q-point: (-0.31 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 0.256 0.755 -1.756) 1.928 1.577 ( 0.054 -1.287 -1.777) 2.195 2.042 ( 0.596 -0.012 -2.120) 2.202 2.072 ( -0.352 1.494 -2.087) 2.591 2.485 ( -1.237 5.914 4.477) 7.520 2.572 ( 0.859 -0.668 1.103) 1.549 2.627 ( 1.005 3.265 -1.057) 3.576 2.649 ( -0.550 2.727 -0.561) 2.838 2.723 ( -0.257 -0.123 0.639) 0.699 2.731 ( 0.576 -0.902 -0.519) 1.189 2.830 ( -0.534 1.835 -0.332) 1.940 2.851 ( 0.049 0.337 -0.271) 0.435 4.894 ( -0.080 12.673 -1.078) 12.719 5.042 ( 0.309 0.482 -0.231) 0.618 5.543 ( 0.266 10.502 -4.725) 11.519 5.607 ( 0.160 9.293 -4.713) 10.421 6.099 ( -0.170 7.112 4.578) 8.459 6.413 ( -0.378 -18.626 6.046) 19.586 7.601 ( -0.263 0.275 3.018) 3.042 7.650 ( -0.142 -0.828 3.311) 3.416 10.009 ( -0.399 7.665 9.605) 12.295 10.058 ( -1.042 3.655 9.067) 9.831 10.176 ( -0.201 7.227 -4.114) 8.319 10.304 ( 1.115 -3.366 -5.946) 6.923 10.440 ( -0.314 15.603 5.363) 16.502 10.817 ( -0.819 -18.344 7.098) 19.686 11.297 ( 0.217 7.114 -1.306) 7.236 11.368 ( -0.544 -2.454 5.415) 5.970 11.968 ( -0.496 2.013 5.125) 5.528 12.063 ( 0.765 -7.769 -4.554) 9.038 12.869 ( 0.683 2.918 -10.055) 10.493 13.091 ( 1.686 -17.641 -26.794) 32.125 18.027 ( -0.761 0.745 13.526) 13.568 18.048 ( -0.777 0.265 13.098) 13.124 18.557 ( 0.091 2.397 -6.257) 6.701 18.566 ( 0.943 1.756 -6.607) 6.901 ======================= Grid point 549 (265/322) ======================= q-point: (-0.23 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 0.358 1.338 0.109) 1.390 1.606 ( -0.118 -1.529 -0.801) 1.731 2.002 ( 0.917 4.912 -2.211) 5.464 2.034 ( -1.043 1.637 -2.825) 3.428 2.335 ( -0.883 8.456 7.044) 11.041 2.501 ( 1.588 8.290 -5.036) 9.828 2.520 ( 0.381 7.652 0.649) 7.689 2.544 ( -0.459 7.069 -0.751) 7.124 2.706 ( -0.066 2.961 -0.003) 2.962 2.753 ( 1.281 -0.627 2.590) 2.957 2.807 ( -1.376 -0.829 -0.998) 1.891 2.835 ( -0.032 0.619 -0.228) 0.660 4.519 ( 0.356 24.146 -2.017) 24.233 4.912 ( -0.021 13.629 -0.572) 13.641 5.207 ( 0.195 22.739 -4.608) 23.202 5.293 ( 0.153 13.287 -4.489) 14.026 6.117 ( -0.010 -3.672 2.749) 4.587 6.757 ( -0.254 -14.662 7.608) 16.520 7.597 ( -0.189 0.663 3.093) 3.169 7.639 ( -0.756 2.367 4.999) 5.583 9.774 ( -0.526 14.964 8.579) 17.257 9.847 ( -0.907 15.196 5.122) 16.062 10.070 ( -0.078 2.908 2.435) 3.794 10.204 ( -0.247 9.594 -0.427) 9.606 10.285 ( 1.383 6.234 -11.502) 13.156 10.994 ( -0.085 8.394 2.036) 8.638 11.163 ( 0.004 -1.799 -1.546) 2.372 11.472 ( -0.790 -8.306 7.483) 11.208 12.009 ( 0.074 -5.621 3.376) 6.557 12.281 ( 1.017 -15.680 -11.007) 19.185 13.011 ( -0.691 -16.596 13.007) 21.097 13.529 ( 2.013 -24.975 -32.428) 40.980 17.980 ( -0.540 4.088 10.755) 11.518 18.024 ( -0.834 2.678 13.414) 13.705 18.452 ( 0.575 7.944 -6.163) 10.071 18.496 ( 0.622 5.721 -4.706) 7.434 ======================= Grid point 550 (266/322) ======================= q-point: (-0.15 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 0.402 4.197 5.155) 6.659 1.629 ( -0.312 -0.538 0.539) 0.823 1.866 ( -0.512 8.127 -2.494) 8.516 1.971 ( -0.585 4.676 -3.742) 6.018 2.144 ( -0.203 10.626 4.505) 11.543 2.284 ( 1.315 13.240 -3.181) 13.680 2.320 ( -0.242 11.564 0.844) 11.598 2.378 ( 0.493 9.163 -1.838) 9.358 2.623 ( 0.062 4.382 0.620) 4.426 2.764 ( 0.964 0.087 1.261) 1.590 2.804 ( -1.218 0.359 -1.463) 1.937 2.862 ( 0.100 -2.215 0.269) 2.233 3.964 ( 0.348 29.946 0.656) 29.955 4.455 ( 0.010 26.926 -9.440) 28.533 4.906 ( 0.375 9.342 -2.520) 9.683 5.048 ( 0.074 10.191 -3.946) 10.928 6.150 ( -0.297 1.426 3.893) 4.156 6.953 ( -0.253 -2.677 8.821) 9.222 7.531 ( -0.071 6.835 6.786) 9.632 7.575 ( -1.161 2.545 3.811) 4.727 9.338 ( -1.411 26.825 12.317) 29.552 9.593 ( -0.125 12.007 -0.091) 12.008 9.898 ( 0.859 17.196 -10.351) 20.089 10.045 ( -0.030 0.167 4.969) 4.972 10.243 ( 0.775 -1.874 -10.873) 11.060 10.683 ( 0.705 17.026 -4.512) 17.628 11.287 ( 0.029 -8.881 0.938) 8.930 11.577 ( 0.075 -0.385 -3.138) 3.163 12.270 ( -0.599 -21.541 10.475) 23.960 12.703 ( 0.883 -24.890 -10.311) 26.956 13.471 ( -1.127 -27.436 22.157) 35.283 14.057 ( 1.969 -27.056 -32.622) 42.428 17.853 ( -0.585 8.902 7.378) 11.577 17.919 ( -1.053 8.244 12.482) 14.995 18.231 ( 0.593 14.407 -5.163) 15.316 18.333 ( 0.494 10.816 -2.333) 11.076 ======================= Grid point 551 (267/322) ======================= q-point: (-0.08 0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.112 8.369 14.017) 16.326 1.593 ( -0.196 5.360 0.627) 5.401 1.691 ( -0.970 9.469 -3.088) 10.007 1.812 ( -1.235 10.894 -5.321) 12.187 1.913 ( 0.564 12.125 -1.482) 12.228 2.001 ( 1.048 14.755 -3.372) 15.171 2.098 ( -0.458 8.932 2.272) 9.228 2.212 ( 0.599 6.576 1.704) 6.820 2.552 ( 0.456 2.697 1.570) 3.154 2.747 ( 0.132 2.507 0.637) 2.590 2.797 ( -0.483 -0.250 -2.127) 2.196 2.888 ( 0.182 0.274 -1.637) 1.670 3.400 ( -0.616 23.471 12.067) 26.398 3.996 ( 0.797 16.494 -21.997) 27.506 4.761 ( 0.087 5.452 0.207) 5.457 4.905 ( 0.349 3.925 -5.798) 7.011 6.028 ( -1.144 11.308 7.095) 13.398 6.802 ( -1.506 16.709 8.754) 18.924 7.316 ( -0.299 16.006 9.908) 18.827 7.518 ( 0.821 5.140 -0.845) 5.273 8.790 ( -1.760 24.836 23.129) 33.983 9.293 ( 1.006 15.331 -16.812) 22.775 9.648 ( 0.344 7.996 -6.821) 10.515 10.012 ( 0.298 7.410 0.661) 7.446 10.316 ( 0.665 -7.013 -7.626) 10.381 10.485 ( 0.713 0.186 -4.499) 4.559 11.524 ( 0.749 -9.298 -2.375) 9.626 11.574 ( -0.137 -7.542 -6.443) 9.921 12.776 ( -1.370 -25.655 21.885) 33.749 13.245 ( 1.890 -28.682 -17.322) 33.560 14.063 ( -0.928 -30.542 21.581) 37.409 14.603 ( 1.656 -27.656 -28.778) 39.947 17.610 ( -0.659 15.465 4.173) 16.031 17.675 ( -2.124 16.071 10.198) 19.152 17.872 ( 0.166 21.452 -3.408) 21.722 18.062 ( 0.448 16.377 -0.060) 16.383 ======================= Grid point 555 (268/322) ======================= q-point: ( 0.23 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.221 -0.000 3.426) 3.434 0.937 ( -0.230 -0.000 2.592) 2.602 1.109 ( -1.052 -0.000 22.412) 22.436 1.272 ( -0.438 -0.000 0.398) 0.592 1.308 ( 0.433 0.000 -1.213) 1.288 1.535 ( -0.007 -0.000 -20.882) 20.882 2.005 ( -1.278 -0.000 10.331) 10.410 2.139 ( 0.821 0.000 6.207) 6.261 2.519 ( 1.457 0.000 -1.348) 1.985 2.659 ( -0.434 -0.000 3.810) 3.834 2.830 ( -0.020 -0.000 -2.952) 2.952 2.876 ( 0.140 0.000 -7.290) 7.291 3.227 ( -2.459 -0.000 39.097) 39.174 4.050 ( 2.143 0.000 -32.646) 32.716 4.512 ( -3.485 -0.000 23.223) 23.483 4.962 ( 1.213 0.000 -17.757) 17.799 4.975 ( -3.321 -0.000 13.549) 13.950 5.638 ( -3.861 -0.000 -7.555) 8.485 6.195 ( -0.301 -0.000 4.281) 4.292 6.515 ( 0.195 0.000 -2.271) 2.280 8.474 ( 1.792 0.000 32.581) 32.631 9.065 ( 3.265 0.000 -26.332) 26.534 9.402 ( 0.859 0.000 7.438) 7.487 9.746 ( 3.655 0.000 -19.470) 19.810 10.704 ( 0.208 0.000 3.542) 3.548 10.820 ( 0.340 0.000 -7.307) 7.315 12.086 ( -0.648 -0.000 9.045) 9.068 12.810 ( 0.859 0.000 -14.447) 14.472 13.512 ( 0.808 0.000 35.035) 35.045 14.450 ( 10.504 0.000 -37.255) 38.707 15.824 ( -0.957 -0.000 15.369) 15.398 16.217 ( 0.305 0.000 1.270) 1.306 16.312 ( 0.679 0.000 -10.714) 10.736 16.320 ( -14.782 -0.000 12.124) 19.118 16.563 ( -8.694 -0.000 -2.421) 9.025 16.848 ( 0.811 0.000 -3.294) 3.392 ======================= Grid point 556 (269/322) ======================= q-point: ( 0.31 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.247 -12.206 4.757) 13.103 1.085 ( -0.487 -13.262 2.371) 13.481 1.137 ( -1.285 -4.325 18.896) 19.427 1.387 ( -0.008 -10.509 -0.020) 10.509 1.421 ( 0.208 -9.842 -2.023) 10.050 1.554 ( 0.379 -2.960 -19.336) 19.565 1.995 ( -1.117 0.620 9.595) 9.680 2.143 ( 0.899 -0.076 5.628) 5.700 2.531 ( 1.113 -1.031 -0.905) 1.767 2.610 ( -0.452 3.403 9.432) 10.038 2.819 ( -0.620 0.755 -3.323) 3.463 2.861 ( 0.881 0.884 -7.289) 7.396 3.146 ( -2.446 4.795 31.669) 32.123 3.917 ( 1.759 9.016 -33.141) 34.390 4.633 ( -1.260 -5.381 12.525) 13.690 4.935 ( 0.887 2.741 -13.431) 13.736 5.146 ( -4.222 -19.734 18.122) 27.123 5.830 ( -3.953 -19.476 -4.767) 20.437 6.420 ( -0.088 -20.441 5.863) 21.265 6.771 ( 0.930 -22.859 -4.074) 23.238 8.476 ( 1.039 0.875 33.382) 33.409 9.066 ( 3.527 0.201 -25.864) 26.104 9.434 ( 0.827 -2.819 5.409) 6.156 9.770 ( 3.302 -1.817 -17.552) 17.953 10.668 ( 0.131 3.644 2.078) 4.197 10.747 ( 0.286 7.355 -4.938) 8.864 11.889 ( -0.480 15.545 5.682) 16.558 12.505 ( 0.073 25.487 -12.626) 28.443 13.483 ( 1.000 6.004 33.558) 34.105 14.355 ( 9.470 14.187 -36.393) 40.192 15.305 ( -0.655 32.066 13.208) 34.686 15.822 ( 1.281 31.552 -10.217) 33.190 16.559 ( -13.940 -24.343 12.572) 30.740 16.717 ( -0.058 -27.844 1.823) 27.903 16.778 ( -7.215 -23.159 -3.819) 24.556 17.228 ( 1.067 -24.871 -1.392) 24.933 ======================= Grid point 557 (270/322) ======================= q-point: ( 0.38 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -2.264 -6.969 17.866) 19.310 1.391 ( 0.402 -14.374 0.183) 14.381 1.401 ( -0.635 -16.761 1.852) 16.875 1.586 ( 0.860 -7.712 -9.939) 12.609 1.654 ( 0.011 -13.893 -2.057) 14.044 1.721 ( 0.261 -13.457 -6.306) 14.863 1.990 ( -0.820 -1.083 6.624) 6.762 2.162 ( 0.843 -1.679 4.192) 4.594 2.561 ( 1.728 -0.875 1.159) 2.258 2.624 ( -1.057 -5.847 6.562) 8.852 2.807 ( -0.660 -0.005 -2.964) 3.036 2.857 ( 0.672 -0.470 -6.163) 6.218 3.119 ( -1.939 -3.962 22.577) 23.003 3.811 ( 1.480 -0.560 -30.238) 30.280 4.688 ( -0.181 -2.283 4.544) 5.088 4.884 ( 0.512 1.470 -9.546) 9.672 5.617 ( -3.231 -23.766 15.062) 28.322 6.284 ( -3.620 -24.891 3.082) 25.341 6.911 ( 0.219 -25.516 9.222) 27.132 7.291 ( 2.291 -24.204 -6.958) 25.289 8.504 ( -0.748 -4.924 34.515) 34.872 9.106 ( 3.222 -4.681 -24.745) 25.389 9.524 ( 0.864 -5.439 -0.810) 5.567 9.856 ( 1.695 -6.666 -10.557) 12.600 10.530 ( -0.225 12.453 -1.299) 12.523 10.576 ( 0.458 5.647 -2.829) 6.333 11.627 ( 0.298 8.425 -2.543) 8.805 11.962 ( -0.534 25.435 -7.956) 26.656 13.256 ( 0.347 17.858 30.775) 35.583 13.918 ( 5.733 29.718 -28.020) 41.245 14.691 ( -0.337 29.925 15.004) 33.477 15.185 ( 1.593 30.763 -19.344) 36.374 17.071 ( -8.466 -27.865 12.970) 31.880 17.223 ( -1.596 -23.085 1.879) 23.216 17.302 ( -3.549 -27.804 -4.537) 28.395 17.702 ( 0.694 -21.324 0.344) 21.338 ======================= Grid point 558 (271/322) ======================= q-point: ( 0.46 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( -2.270 -8.119 13.117) 15.593 1.591 ( 0.359 -5.966 -6.431) 8.780 1.654 ( -0.187 -7.576 -0.593) 7.602 1.814 ( 1.129 -13.227 0.891) 13.305 1.920 ( 0.314 -11.805 -2.339) 12.038 1.998 ( -0.659 -13.891 -4.105) 14.500 2.089 ( -0.247 -9.706 2.312) 9.981 2.239 ( 0.368 -6.098 1.892) 6.396 2.600 ( 1.379 -2.286 1.142) 2.904 2.727 ( -0.248 -3.012 0.022) 3.022 2.807 ( -0.250 -0.084 -0.839) 0.879 2.865 ( -0.381 0.366 -1.835) 1.909 3.392 ( -1.163 -23.747 10.308) 25.914 3.983 ( 1.428 -16.954 -20.398) 26.562 4.764 ( 0.066 -5.448 0.161) 5.451 4.900 ( 0.176 -3.608 -5.833) 6.861 5.986 ( -1.519 -12.977 8.288) 15.473 6.723 ( -2.855 -18.192 8.058) 20.100 7.351 ( 0.383 -16.265 10.478) 19.352 7.593 ( 2.470 -4.291 -1.564) 5.192 8.788 ( -1.434 -23.235 24.971) 34.139 9.302 ( 1.552 -14.265 -16.882) 22.156 9.653 ( 0.789 -7.786 -7.066) 10.544 10.016 ( -0.206 -5.911 0.661) 5.952 10.309 ( 0.029 6.958 -8.006) 10.607 10.510 ( 0.967 -1.315 -4.907) 5.171 11.526 ( -0.485 13.650 -2.104) 13.820 11.569 ( 0.824 2.098 -6.989) 7.343 12.800 ( -0.499 27.186 23.485) 35.929 13.305 ( 2.918 30.491 -17.835) 35.444 14.080 ( -0.982 30.971 19.890) 36.821 14.606 ( 2.135 27.629 -28.797) 39.965 17.535 ( -3.896 -19.387 12.355) 23.317 17.609 ( -1.529 -16.075 5.244) 16.978 17.808 ( -2.065 -23.048 -6.029) 23.913 18.079 ( 0.348 -16.052 -0.294) 16.058 ======================= Grid point 559 (272/322) ======================= q-point: ( 0.54 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -1.324 -4.166 4.751) 6.456 1.638 ( 0.325 0.686 0.059) 0.761 1.796 ( -0.383 -7.879 -4.222) 8.947 2.014 ( 1.634 -5.326 -0.838) 5.634 2.137 ( -0.539 -10.727 3.526) 11.305 2.272 ( -0.888 -13.219 -3.751) 13.769 2.321 ( 0.059 -11.675 -0.387) 11.681 2.402 ( 0.189 -9.108 -0.312) 9.116 2.663 ( 0.775 -3.374 0.409) 3.486 2.757 ( 0.371 -0.638 -0.131) 0.749 2.802 ( -1.495 0.684 -0.054) 1.645 2.842 ( 0.616 1.105 0.582) 1.393 3.963 ( -0.377 -30.480 -0.398) 30.485 4.451 ( 1.048 -27.229 -8.407) 28.516 4.906 ( -0.030 -9.021 -2.582) 9.383 5.039 ( 0.197 -10.181 -3.852) 10.888 6.133 ( -0.607 -2.456 4.373) 5.052 6.919 ( -1.601 -0.553 8.396) 8.566 7.560 ( -0.138 -5.182 8.252) 9.745 7.607 ( 1.320 0.173 3.335) 3.590 9.321 ( -0.630 -26.687 13.035) 29.707 9.588 ( 0.033 -11.750 -0.456) 11.759 9.892 ( 0.383 -16.265 -10.492) 19.359 10.044 ( -0.622 -0.638 4.692) 4.776 10.245 ( 0.681 0.757 -11.605) 11.649 10.713 ( 0.587 -16.272 -4.401) 16.867 11.287 ( -0.125 8.369 1.033) 8.434 11.596 ( 0.686 0.131 -2.927) 3.009 12.268 ( -0.800 22.477 11.178) 25.116 12.739 ( 1.336 26.209 -11.136) 28.508 13.481 ( -1.421 27.860 21.115) 34.987 14.060 ( 2.283 27.088 -32.732) 42.548 17.813 ( -1.515 -9.729 9.792) 13.886 17.866 ( -1.780 -9.932 11.729) 15.472 18.190 ( -0.694 -15.592 -6.985) 17.099 18.347 ( 0.171 -10.563 -2.386) 10.830 ======================= Grid point 560 (273/322) ======================= q-point: ( 0.62 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -0.430 -1.623 -0.095) 1.682 1.609 ( 0.199 1.694 -0.763) 1.868 1.937 ( -0.183 -5.706 -2.735) 6.331 2.077 ( 0.776 -1.334 -2.185) 2.675 2.337 ( -0.037 -8.867 6.712) 11.121 2.493 ( -0.826 -8.834 -4.830) 10.102 2.517 ( -0.206 -7.230 -1.003) 7.302 2.569 ( 0.298 -6.906 0.127) 6.914 2.714 ( -0.011 -0.761 -0.091) 0.767 2.755 ( -0.439 1.985 0.221) 2.045 2.790 ( -0.234 -2.138 1.035) 2.387 2.844 ( 0.782 -0.523 0.494) 1.063 4.531 ( 0.086 -24.913 -2.495) 25.038 4.900 ( -0.031 -12.710 -0.503) 12.720 5.208 ( 0.426 -23.033 -4.153) 23.408 5.285 ( 0.337 -13.533 -4.587) 14.294 6.114 ( -0.373 3.204 2.896) 4.335 6.760 ( -0.706 14.140 7.493) 16.018 7.613 ( 0.024 -0.984 5.452) 5.540 7.625 ( -0.091 -0.578 3.088) 3.143 9.763 ( -0.632 -15.476 8.439) 17.639 9.832 ( 0.095 -14.685 5.052) 15.530 10.082 ( -0.186 -3.480 2.887) 4.525 10.189 ( 0.071 -11.062 -0.800) 11.091 10.298 ( 0.363 -4.881 -11.813) 12.787 11.018 ( -0.012 -8.754 1.676) 8.914 11.164 ( 0.194 2.782 -0.634) 2.860 11.483 ( -0.191 8.935 9.100) 12.754 12.005 ( -0.490 5.394 2.512) 5.970 12.298 ( 0.640 16.225 -12.777) 20.662 13.015 ( -0.941 16.852 12.734) 21.143 13.531 ( 2.155 25.108 -32.576) 41.186 17.948 ( -1.080 -4.585 11.061) 12.022 18.001 ( -1.186 -4.103 13.969) 14.607 18.428 ( 0.069 -8.654 -7.470) 11.432 18.507 ( 0.178 -5.583 -4.478) 7.159 ======================= Grid point 561 (274/322) ======================= q-point: ( 0.69 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.030 -1.075 -1.726) 2.033 1.581 ( 0.151 1.150 -1.852) 2.186 2.017 ( 0.088 -2.496 -2.063) 3.239 2.089 ( 0.263 0.184 -2.074) 2.098 2.490 ( 0.723 -5.875 5.168) 7.858 2.571 ( -1.447 1.112 -0.076) 1.826 2.620 ( -0.448 -3.618 -1.918) 4.119 2.666 ( 0.531 -2.011 0.545) 2.150 2.710 ( -0.053 0.017 -0.626) 0.628 2.729 ( -0.038 0.203 -0.085) 0.224 2.837 ( 0.215 -1.677 0.551) 1.779 2.853 ( 0.123 0.147 -0.343) 0.392 4.919 ( 0.161 -13.027 -1.278) 13.090 5.017 ( -0.182 -0.115 -0.194) 0.290 5.539 ( 0.410 -10.743 -4.860) 11.799 5.609 ( 0.391 -9.138 -4.404) 10.151 6.103 ( -0.443 -7.262 4.514) 8.561 6.414 ( -0.404 19.023 6.083) 19.976 7.614 ( -0.091 0.740 3.664) 3.739 7.632 ( -0.232 -0.598 2.730) 2.804 10.003 ( -0.829 -8.200 9.165) 12.326 10.053 ( -0.051 -4.547 8.851) 9.950 10.183 ( 0.440 -6.431 -2.748) 7.007 10.303 ( -0.102 4.093 -7.168) 8.255 10.440 ( -0.378 -16.116 5.497) 17.031 10.828 ( -0.213 19.247 7.813) 20.774 11.290 ( -0.034 -6.692 -1.144) 6.789 11.378 ( -0.255 2.290 5.893) 6.328 11.960 ( -0.087 -1.627 5.218) 5.467 12.077 ( -0.211 7.894 -6.006) 9.921 12.871 ( 0.599 -2.953 -10.045) 10.487 13.090 ( 1.758 17.729 -26.891) 32.257 18.011 ( -0.878 -1.981 13.053) 13.231 18.046 ( -0.932 -0.804 13.847) 13.901 18.543 ( 0.348 -3.160 -7.234) 7.902 18.576 ( 0.373 -1.395 -5.976) 6.148 ======================= Grid point 562 (275/322) ======================= q-point: (-0.23 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 0.127 0.695 -1.771) 1.907 1.577 ( 0.108 -1.267 -1.762) 2.173 2.043 ( 0.007 -0.295 -2.045) 2.066 2.070 ( 0.111 1.856 -2.038) 2.759 2.478 ( -0.988 5.919 4.553) 7.532 2.579 ( 0.917 -0.801 0.907) 1.519 2.633 ( 0.548 2.618 -0.845) 2.805 2.645 ( -0.134 3.307 -1.146) 3.502 2.721 ( -0.452 -0.409 0.668) 0.904 2.736 ( 0.493 -0.992 -0.374) 1.169 2.826 ( -0.408 2.148 -0.254) 2.201 2.852 ( 0.039 0.444 -0.208) 0.492 4.894 ( 0.216 12.612 -1.176) 12.669 5.043 ( -0.020 0.453 -0.196) 0.494 5.543 ( 0.183 10.551 -4.649) 11.531 5.606 ( 0.211 9.383 -4.649) 10.474 6.100 ( -0.115 7.044 4.445) 8.330 6.414 ( -0.358 -18.680 6.023) 19.630 7.602 ( -0.028 0.300 2.928) 2.943 7.649 ( -0.486 -0.781 3.478) 3.598 10.011 ( -0.468 7.709 9.670) 12.376 10.054 ( -1.055 3.807 9.100) 9.921 10.173 ( -0.022 6.999 -4.051) 8.087 10.309 ( 0.988 -3.363 -6.088) 7.025 10.441 ( -0.337 15.761 5.398) 16.663 10.815 ( -0.654 -18.321 7.149) 19.677 11.297 ( 0.104 7.079 -1.318) 7.202 11.367 ( -0.381 -2.388 5.398) 5.915 11.966 ( -0.595 1.821 4.941) 5.300 12.068 ( 0.942 -7.814 -4.564) 9.099 12.869 ( 0.698 2.905 -10.018) 10.454 13.091 ( 1.671 -17.641 -26.824) 32.148 18.028 ( -0.659 0.688 13.700) 13.734 18.047 ( -1.137 0.274 12.928) 12.981 18.554 ( 0.120 2.263 -6.113) 6.519 18.570 ( 0.836 1.770 -6.782) 7.059 ======================= Grid point 563 (276/322) ======================= q-point: (-0.15 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 0.079 1.202 -0.023) 1.205 1.605 ( -0.029 -1.468 -0.719) 1.635 1.999 ( -1.353 4.958 -2.045) 5.531 2.032 ( 0.926 1.840 -2.495) 3.235 2.332 ( -0.669 8.275 6.661) 10.644 2.510 ( 1.407 8.234 -5.042) 9.757 2.522 ( 0.059 8.137 0.650) 8.163 2.541 ( 0.094 6.666 -1.110) 6.758 2.706 ( 0.032 2.837 0.003) 2.837 2.765 ( 1.479 -0.468 2.686) 3.101 2.794 ( -1.591 -0.848 -1.145) 2.136 2.834 ( -0.168 0.536 -0.059) 0.565 4.521 ( 0.474 24.090 -2.212) 24.196 4.911 ( -0.171 13.815 -0.499) 13.825 5.206 ( 0.205 22.574 -4.514) 23.022 5.291 ( 0.077 13.333 -4.385) 14.035 6.118 ( -0.087 -3.621 2.663) 4.496 6.759 ( -0.229 -14.753 7.434) 16.522 7.597 ( -0.047 0.623 3.108) 3.170 7.635 ( -0.847 2.540 5.269) 5.910 9.774 ( -0.700 15.152 8.642) 17.457 9.842 ( -1.041 15.066 5.428) 16.048 10.071 ( 0.120 2.817 2.186) 3.567 10.201 ( -0.385 9.566 -0.174) 9.575 10.290 ( 1.432 6.314 -11.727) 13.395 10.996 ( 0.262 8.173 1.987) 8.415 11.162 ( 0.036 -1.712 -1.610) 2.351 11.470 ( -0.574 -8.296 7.585) 11.255 12.011 ( -0.020 -5.723 3.212) 6.563 12.284 ( 1.228 -15.536 -11.291) 19.245 13.012 ( -0.664 -16.657 12.973) 21.124 13.529 ( 2.046 -24.963 -32.449) 40.991 17.980 ( -0.869 4.146 10.723) 11.529 18.022 ( -1.293 2.670 13.527) 13.849 18.452 ( 0.161 7.838 -6.111) 9.940 18.499 ( 0.737 5.738 -4.937) 7.605 ======================= Grid point 564 (277/322) ======================= q-point: (-0.08 0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -0.113 3.980 4.870) 6.290 1.628 ( -0.042 -0.521 0.629) 0.818 1.856 ( -1.765 8.188 -2.527) 8.749 1.970 ( 0.560 5.043 -2.758) 5.776 2.144 ( -0.271 10.510 3.839) 11.193 2.291 ( 0.859 13.294 -3.256) 13.713 2.318 ( -0.272 11.597 0.871) 11.633 2.382 ( 0.892 9.041 -2.163) 9.339 2.626 ( 0.592 4.295 0.529) 4.367 2.770 ( 0.253 0.226 0.747) 0.821 2.797 ( -0.251 0.332 -0.741) 0.849 2.860 ( -0.531 -2.295 0.197) 2.364 3.967 ( 0.207 29.967 0.433) 29.971 4.451 ( 0.092 27.010 -9.104) 28.503 4.907 ( 0.316 9.325 -2.659) 9.702 5.046 ( -0.021 10.153 -3.819) 10.848 6.149 ( -0.580 1.573 3.960) 4.301 6.953 ( -0.883 -2.353 8.597) 8.957 7.536 ( 0.234 6.862 7.190) 9.942 7.571 ( -0.341 2.123 3.816) 4.380 9.333 ( -1.524 26.850 12.507) 29.659 9.592 ( -0.170 11.897 0.097) 11.899 9.899 ( 0.686 17.112 -10.219) 19.943 10.047 ( -0.114 0.239 4.614) 4.622 10.244 ( 0.803 -1.774 -10.970) 11.141 10.687 ( 1.103 16.960 -4.732) 17.643 11.288 ( 0.004 -8.951 0.855) 8.992 11.577 ( 0.428 -0.370 -2.996) 3.049 12.270 ( -0.642 -21.477 10.338) 23.844 12.707 ( 1.404 -24.955 -10.389) 27.068 13.473 ( -1.040 -27.496 21.971) 35.211 14.056 ( 2.053 -27.020 -32.643) 42.425 17.850 ( -1.025 8.939 7.439) 11.675 17.913 ( -1.973 8.426 12.658) 15.334 18.230 ( -0.205 14.376 -5.389) 15.354 18.336 ( 0.645 10.816 -2.513) 11.122 ======================= Grid point 569 (278/322) ======================= q-point: ( 0.31 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.222 -0.000 3.397) 3.404 0.936 ( -0.234 -0.000 2.574) 2.585 1.110 ( -1.519 -0.000 20.655) 20.711 1.270 ( -0.309 -0.000 0.573) 0.651 1.311 ( 0.299 0.000 -1.355) 1.387 1.528 ( 0.932 0.000 -19.665) 19.687 2.001 ( -1.126 -0.000 10.552) 10.612 2.149 ( 0.793 0.000 5.985) 6.037 2.527 ( 0.783 0.000 -1.161) 1.401 2.660 ( 0.312 0.000 3.650) 3.663 2.826 ( -0.584 -0.000 -3.133) 3.187 2.874 ( 0.478 0.000 -7.137) 7.153 3.228 ( -2.477 -0.000 39.105) 39.184 4.050 ( 2.174 0.000 -32.640) 32.712 4.497 ( -3.371 -0.000 24.637) 24.866 4.958 ( -2.612 -0.000 11.839) 12.124 4.961 ( 0.779 0.000 -17.199) 17.217 5.605 ( -3.454 -0.000 -7.804) 8.535 6.195 ( -0.280 -0.000 4.283) 4.293 6.515 ( 0.185 0.000 -2.270) 2.278 8.502 ( 1.011 0.000 32.349) 32.365 9.079 ( 3.559 0.000 -25.428) 25.676 9.413 ( 0.892 0.000 8.098) 8.147 9.766 ( 3.884 0.000 -19.854) 20.231 10.706 ( -0.103 -0.000 3.382) 3.384 10.821 ( 0.773 0.000 -7.045) 7.087 12.085 ( -0.660 -0.000 9.032) 9.056 12.809 ( 0.867 0.000 -14.436) 14.462 13.536 ( 0.782 0.000 35.549) 35.558 14.516 ( 10.593 0.000 -38.753) 40.175 15.824 ( -0.967 -0.000 15.366) 15.396 16.200 ( -11.178 -0.000 12.841) 17.025 16.231 ( -2.759 -0.000 4.680) 5.433 16.312 ( 0.699 0.000 -10.707) 10.730 16.490 ( -9.021 -0.000 -4.409) 10.041 16.854 ( 0.986 0.000 -3.240) 3.387 ======================= Grid point 570 (279/322) ======================= q-point: ( 0.38 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.262 -12.051 4.890) 13.008 1.082 ( -0.712 -12.761 3.012) 13.131 1.135 ( -1.354 -4.777 16.427) 17.161 1.388 ( 0.058 -10.772 0.151) 10.773 1.421 ( 0.201 -9.651 -2.069) 9.872 1.550 ( 1.178 -2.926 -18.347) 18.616 1.992 ( -0.946 0.597 9.823) 9.886 2.153 ( 0.725 -0.083 5.425) 5.474 2.536 ( 0.258 -1.047 -0.094) 1.082 2.615 ( 0.378 3.444 8.653) 9.321 2.811 ( -0.960 0.863 -4.296) 4.486 2.864 ( 0.925 0.692 -6.476) 6.579 3.143 ( -2.261 4.950 31.538) 32.004 3.914 ( 1.851 9.191 -32.998) 34.304 4.630 ( -1.187 -5.927 13.282) 14.593 4.934 ( 0.534 2.603 -13.282) 13.545 5.126 ( -3.064 -19.403 17.729) 26.461 5.799 ( -3.169 -19.608 -5.297) 20.556 6.422 ( -0.149 -20.624 5.878) 21.446 6.775 ( 0.800 -23.244 -4.119) 23.620 8.497 ( -0.026 1.177 33.306) 33.327 9.081 ( 3.615 0.197 -25.177) 25.436 9.444 ( 0.813 -2.686 5.891) 6.525 9.787 ( 3.108 -1.467 -17.921) 18.248 10.669 ( -0.171 3.644 1.954) 4.138 10.748 ( 0.617 7.485 -4.777) 8.901 11.888 ( -0.454 15.515 5.575) 16.493 12.500 ( 0.129 25.785 -12.586) 28.693 13.507 ( 0.642 6.125 34.093) 34.644 14.408 ( 8.366 15.167 -37.720) 41.507 15.307 ( -0.682 31.913 13.007) 34.468 15.828 ( 1.346 31.664 -10.333) 33.335 16.464 ( -11.382 -25.825 16.211) 32.546 16.706 ( -4.684 -24.098 -0.851) 24.564 16.730 ( -2.233 -27.788 -2.850) 28.023 17.235 ( 0.868 -24.845 -1.386) 24.899 ======================= Grid point 571 (280/322) ======================= q-point: ( 0.46 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -2.445 -6.802 17.076) 18.543 1.395 ( 0.410 -14.275 -0.508) 14.290 1.398 ( -0.402 -16.751 1.802) 16.852 1.590 ( 1.410 -7.774 -9.538) 12.385 1.654 ( 0.183 -14.126 -1.631) 14.221 1.719 ( 0.100 -13.354 -6.073) 14.671 1.988 ( -0.641 -1.064 6.792) 6.905 2.169 ( 0.483 -1.569 4.101) 4.417 2.573 ( 0.949 -1.114 0.610) 1.586 2.621 ( -0.419 -5.624 7.365) 9.276 2.798 ( -0.937 -0.283 -4.052) 4.168 2.860 ( 0.671 -0.131 -5.208) 5.253 3.116 ( -1.638 -3.935 21.991) 22.400 3.808 ( 1.737 -0.663 -29.932) 29.990 4.689 ( -0.174 -2.310 4.684) 5.225 4.882 ( 0.397 1.480 -9.541) 9.663 5.603 ( -2.171 -24.043 15.269) 28.565 6.261 ( -2.548 -25.134 2.578) 25.394 6.917 ( -0.045 -25.713 9.256) 27.328 7.304 ( 1.749 -24.680 -7.127) 25.748 8.513 ( -1.563 -4.424 34.768) 35.084 9.119 ( 3.130 -4.352 -24.454) 25.035 9.530 ( 0.929 -5.270 -0.792) 5.409 9.863 ( 1.205 -6.212 -10.542) 12.295 10.528 ( -0.189 12.567 -1.241) 12.630 10.578 ( 0.339 5.589 -2.900) 6.305 11.628 ( 0.305 8.322 -2.731) 8.764 11.954 ( -0.354 25.383 -7.848) 26.570 13.273 ( -0.149 18.245 31.310) 36.238 13.944 ( 4.428 30.587 -28.335) 41.929 14.695 ( -0.568 29.890 14.332) 33.153 15.188 ( 1.631 30.831 -19.321) 36.421 17.021 ( -5.759 -29.343 14.867) 33.395 17.207 ( -2.472 -24.364 0.088) 24.490 17.279 ( -1.803 -27.249 -3.834) 27.577 17.706 ( 0.402 -21.228 0.380) 21.236 ======================= Grid point 572 (281/322) ======================= q-point: ( 0.54 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -2.255 -8.193 12.913) 15.459 1.592 ( 0.826 -5.984 -7.373) 9.531 1.653 ( 0.068 -7.562 -0.169) 7.564 1.824 ( 1.256 -13.442 1.466) 13.580 1.921 ( 0.320 -11.620 -2.513) 11.893 1.990 ( -0.798 -13.616 -4.189) 14.268 2.089 ( -0.163 -9.859 2.270) 10.118 2.241 ( -0.027 -5.917 2.163) 6.300 2.608 ( 0.507 -2.217 1.322) 2.631 2.727 ( 0.229 -3.074 0.201) 3.090 2.803 ( -0.461 -0.154 -1.301) 1.389 2.863 ( -0.042 0.387 -1.599) 1.646 3.389 ( -1.078 -23.685 9.912) 25.698 3.985 ( 1.697 -17.132 -20.237) 26.569 4.765 ( 0.005 -5.373 0.242) 5.379 4.899 ( 0.240 -3.639 -5.853) 6.896 5.981 ( -0.884 -13.165 8.297) 15.586 6.709 ( -1.757 -18.402 7.861) 20.088 7.357 ( -0.085 -16.273 10.531) 19.384 7.608 ( 1.451 -4.320 -1.681) 4.857 8.790 ( -1.385 -23.232 25.198) 34.302 9.306 ( 1.481 -13.834 -17.077) 22.027 9.656 ( 0.765 -7.543 -7.263) 10.499 10.014 ( -0.329 -5.746 0.913) 5.828 10.306 ( 0.069 6.944 -7.927) 10.539 10.513 ( 0.565 -1.428 -4.831) 5.070 11.521 ( -0.546 13.663 -2.016) 13.822 11.572 ( 0.907 1.854 -7.081) 7.375 12.806 ( -0.820 27.589 23.882) 36.499 13.316 ( 2.032 30.829 -17.972) 35.743 14.081 ( -1.296 31.081 19.597) 36.767 14.608 ( 2.145 27.665 -28.791) 39.986 17.517 ( -2.178 -20.229 13.535) 24.436 17.601 ( -1.210 -16.025 4.433) 16.671 17.792 ( -1.241 -23.453 -6.191) 24.288 18.081 ( 0.067 -15.966 -0.183) 15.967 ======================= Grid point 573 (282/322) ======================= q-point: ( 0.62 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( -1.133 -4.400 4.976) 6.739 1.640 ( 0.252 0.724 -0.124) 0.777 1.795 ( 0.542 -7.728 -4.634) 9.027 2.025 ( 1.251 -4.972 -1.307) 5.291 2.135 ( -0.490 -10.961 4.144) 11.728 2.264 ( -0.734 -13.253 -4.047) 13.876 2.321 ( -0.010 -11.610 -0.279) 11.613 2.402 ( -0.134 -9.178 0.151) 9.181 2.666 ( -0.046 -3.267 0.689) 3.340 2.761 ( 0.407 -0.887 -0.027) 0.976 2.791 ( -0.868 1.293 -0.134) 1.563 2.847 ( 0.523 0.637 0.336) 0.890 3.959 ( -0.388 -30.570 -0.331) 30.575 4.455 ( 1.148 -27.183 -8.617) 28.539 4.904 ( -0.063 -8.973 -2.424) 9.295 5.039 ( 0.367 -10.226 -3.992) 10.984 6.131 ( -0.365 -2.484 4.391) 5.058 6.912 ( -1.103 -0.800 8.538) 8.645 7.561 ( -0.581 -4.937 8.103) 9.506 7.618 ( 0.879 0.313 3.246) 3.378 9.324 ( -0.319 -26.637 12.961) 29.624 9.588 ( 0.129 -11.821 -0.766) 11.847 9.890 ( 0.455 -16.164 -10.665) 19.371 10.041 ( -0.638 -0.652 5.048) 5.129 10.244 ( 0.659 0.643 -11.636) 11.672 10.714 ( 0.096 -16.185 -4.125) 16.702 11.287 ( -0.131 8.183 1.144) 8.264 11.598 ( 0.422 0.069 -3.049) 3.079 12.268 ( -0.799 22.759 11.494) 25.509 12.741 ( 0.802 26.406 -11.231) 28.706 13.480 ( -1.599 27.874 21.137) 35.018 14.061 ( 2.247 27.139 -32.726) 42.574 17.810 ( -0.587 -9.815 10.047) 14.058 17.860 ( -1.292 -10.125 11.529) 15.398 18.183 ( -0.135 -15.837 -7.052) 17.337 18.346 ( -0.044 -10.527 -2.214) 10.757 ======================= Grid point 574 (283/322) ======================= q-point: (-0.31 -0.69 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.200 -1.762 0.021) 1.773 1.610 ( 0.144 1.741 -0.835) 1.936 1.936 ( 0.529 -5.658 -2.989) 6.421 2.080 ( 0.381 -1.161 -2.410) 2.702 2.340 ( -0.015 -9.109 7.115) 11.559 2.485 ( -0.661 -8.677 -5.313) 10.196 2.515 ( -0.164 -7.153 -0.436) 7.168 2.570 ( -0.085 -7.022 0.312) 7.029 2.714 ( -0.063 -0.770 -0.032) 0.774 2.750 ( -0.888 1.933 0.848) 2.290 2.791 ( 0.459 -2.317 0.564) 2.428 2.849 ( 0.500 -0.360 0.190) 0.645 4.530 ( -0.147 -25.016 -2.306) 25.123 4.901 ( 0.161 -12.468 -0.579) 12.482 5.209 ( 0.390 -23.241 -4.231) 23.626 5.286 ( 0.468 -13.475 -4.707) 14.282 6.112 ( -0.325 3.231 3.000) 4.421 6.758 ( -0.736 14.013 7.667) 15.990 7.614 ( -0.498 -1.155 5.060) 5.213 7.627 ( 0.370 -0.186 3.212) 3.238 9.763 ( -0.441 -15.276 8.359) 17.420 9.836 ( 0.302 -14.816 4.724) 15.554 10.082 ( -0.376 -3.617 3.209) 4.850 10.190 ( 0.327 -11.215 -1.144) 11.278 10.294 ( 0.165 -4.681 -11.568) 12.480 11.017 ( -0.363 -9.000 1.705) 9.167 11.165 ( 0.159 2.935 -0.514) 2.984 11.486 ( -0.368 8.978 9.096) 12.786 12.003 ( -0.422 5.269 2.635) 5.907 12.296 ( 0.391 16.420 -12.599) 20.701 13.013 ( -0.987 16.798 12.760) 21.118 13.531 ( 2.133 25.129 -32.561) 41.185 17.948 ( -0.441 -4.564 10.980) 11.899 18.000 ( -0.978 -4.201 14.012) 14.660 18.426 ( 0.413 -8.746 -7.500) 11.529 18.506 ( 0.029 -5.611 -4.319) 7.081 ======================= Grid point 575 (284/322) ======================= q-point: (-0.23 -0.69 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 0.166 -1.109 -1.714) 2.048 1.581 ( 0.094 1.172 -1.861) 2.201 2.018 ( 0.382 -2.417 -2.137) 3.249 2.089 ( 0.088 0.223 -2.119) 2.132 2.499 ( 0.700 -6.179 5.427) 8.253 2.560 ( -1.235 1.175 -0.242) 1.722 2.616 ( -0.344 -3.518 -1.486) 3.834 2.669 ( 0.047 -2.307 0.396) 2.341 2.710 ( 0.196 0.251 -0.618) 0.696 2.729 ( -0.011 0.007 -0.098) 0.099 2.839 ( 0.102 -1.658 0.463) 1.724 2.853 ( 0.071 0.347 -0.441) 0.565 4.918 ( -0.332 -13.071 -1.154) 13.126 5.017 ( 0.291 -0.154 -0.233) 0.403 5.540 ( 0.427 -10.672 -4.926) 11.762 5.610 ( 0.377 -9.077 -4.491) 10.134 6.102 ( -0.481 -7.312 4.644) 8.675 6.414 ( -0.416 18.943 6.097) 19.904 7.615 ( -0.231 0.618 3.469) 3.531 7.632 ( -0.044 -0.385 2.847) 2.873 10.002 ( -0.657 -8.071 9.138) 12.210 10.057 ( -0.034 -4.437 8.799) 9.854 10.185 ( 0.369 -6.620 -2.784) 7.191 10.299 ( -0.096 4.027 -7.071) 8.137 10.440 ( -0.377 -15.970 5.483) 16.890 10.829 ( -0.406 19.238 7.718) 20.733 11.289 ( 0.094 -6.732 -1.123) 6.826 11.378 ( -0.420 2.352 5.868) 6.335 11.962 ( -0.018 -1.846 5.406) 5.712 12.072 ( -0.315 7.854 -5.932) 9.848 12.870 ( 0.588 -2.967 -10.084) 10.528 13.090 ( 1.770 17.726 -26.856) 32.227 18.012 ( -0.449 -1.980 13.005) 13.162 18.045 ( -1.074 -0.750 13.865) 13.926 18.543 ( 0.565 -3.138 -7.179) 7.856 18.575 ( 0.213 -1.504 -5.971) 6.161 ======================= Grid point 576 (285/322) ======================= q-point: (-0.15 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.006 0.681 -1.782) 1.908 1.577 ( 0.164 -1.235 -1.757) 2.154 2.040 ( -0.526 0.204 -1.978) 2.057 2.072 ( 0.550 1.522 -1.994) 2.568 2.474 ( -0.669 5.875 4.629) 7.509 2.587 ( 0.895 -0.896 0.678) 1.436 2.634 ( -0.284 1.937 -0.494) 2.019 2.647 ( 0.558 3.871 -1.740) 4.280 2.717 ( -0.529 -0.561 0.552) 0.948 2.738 ( 0.204 -1.059 -0.326) 1.127 2.824 ( -0.109 2.369 0.013) 2.372 2.852 ( 0.004 0.491 -0.189) 0.526 4.896 ( 0.486 12.564 -1.296) 12.640 5.041 ( -0.342 0.423 -0.142) 0.562 5.541 ( 0.131 10.617 -4.623) 11.581 5.606 ( 0.275 9.439 -4.545) 10.480 6.102 ( -0.099 7.006 4.328) 8.236 6.414 ( -0.348 -18.768 6.010) 19.710 7.604 ( 0.140 0.324 2.889) 2.910 7.646 ( -0.741 -0.699 3.584) 3.726 10.012 ( -0.555 7.843 9.699) 12.486 10.051 ( -0.996 4.004 9.125) 10.015 10.172 ( 0.225 6.836 -3.896) 7.872 10.313 ( 0.735 -3.616 -6.362) 7.355 10.441 ( -0.357 16.002 5.464) 16.913 10.815 ( -0.447 -18.405 7.274) 19.795 11.297 ( -0.004 7.010 -1.316) 7.133 11.367 ( -0.218 -2.319 5.451) 5.928 11.964 ( -0.637 1.615 4.787) 5.092 12.073 ( 0.985 -7.863 -4.728) 9.228 12.870 ( 0.700 2.899 -9.985) 10.421 13.091 ( 1.669 -17.651 -26.858) 32.182 18.030 ( -0.653 0.937 13.613) 13.661 18.043 ( -1.372 0.183 13.064) 13.137 18.552 ( 0.194 2.365 -6.125) 6.568 18.572 ( 0.648 1.616 -6.850) 7.068 ======================= Grid point 577 (286/322) ======================= q-point: (-0.08 0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -0.227 1.151 -0.150) 1.183 1.604 ( 0.088 -1.457 -0.648) 1.597 1.984 ( -2.017 4.897 -2.072) 5.687 2.041 ( 1.481 2.143 -2.115) 3.356 2.331 ( -0.466 8.202 6.363) 10.392 2.518 ( 1.015 8.212 -4.968) 9.651 2.521 ( -0.455 8.422 0.098) 8.435 2.544 ( 0.781 6.406 -0.962) 6.525 2.707 ( 0.177 2.538 0.008) 2.544 2.777 ( 0.554 1.013 1.509) 1.900 2.783 ( -0.639 -2.388 0.077) 2.473 2.832 ( -0.329 0.763 0.017) 0.831 4.524 ( 0.532 24.134 -2.417) 24.261 4.909 ( -0.276 13.843 -0.423) 13.852 5.205 ( 0.232 22.477 -4.411) 22.907 5.289 ( 0.046 13.409 -4.310) 14.085 6.118 ( -0.182 -3.526 2.619) 4.396 6.760 ( -0.268 -14.763 7.299) 16.471 7.599 ( 0.049 0.633 3.289) 3.350 7.631 ( -0.798 2.452 5.338) 5.928 9.772 ( -0.851 15.369 8.674) 17.669 9.837 ( -0.995 14.895 5.622) 15.952 10.074 ( 0.244 2.822 2.068) 3.507 10.198 ( -0.431 9.792 -0.036) 9.802 10.295 ( 1.324 6.138 -11.920) 13.473 11.000 ( 0.526 8.049 1.924) 8.293 11.162 ( 0.068 -1.757 -1.564) 2.353 11.471 ( -0.353 -8.365 7.851) 11.477 12.012 ( -0.151 -5.771 2.992) 6.502 12.289 ( 1.331 -15.496 -11.704) 19.465 13.014 ( -0.672 -16.732 12.919) 21.149 13.529 ( 2.088 -24.970 -32.481) 41.023 17.977 ( -1.274 4.245 10.594) 11.483 18.018 ( -1.543 2.827 13.834) 14.204 18.449 ( -0.137 7.885 -6.295) 10.091 18.502 ( 0.701 5.703 -5.026) 7.634 ======================= Grid point 583 (287/322) ======================= q-point: ( 0.38 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.223 -0.000 3.388) 3.396 0.936 ( -0.222 -0.000 2.550) 2.560 1.106 ( -1.823 -0.000 19.054) 19.141 1.268 ( -0.155 -0.000 0.688) 0.705 1.312 ( 0.153 0.000 -1.436) 1.444 1.529 ( 1.815 0.000 -18.797) 18.884 1.998 ( -0.925 -0.000 10.692) 10.732 2.157 ( 0.527 0.000 5.788) 5.812 2.530 ( 0.138 0.000 -0.760) 0.773 2.667 ( 0.815 0.000 3.464) 3.558 2.819 ( -0.752 -0.000 -3.887) 3.959 2.875 ( 0.573 0.000 -6.553) 6.578 3.228 ( -2.502 -0.000 39.105) 39.185 4.051 ( 2.186 0.000 -32.642) 32.715 4.485 ( -2.734 -0.000 25.749) 25.893 4.946 ( -1.798 -0.000 10.476) 10.629 4.958 ( 0.585 0.000 -16.835) 16.846 5.578 ( -2.175 -0.000 -8.016) 8.305 6.195 ( -0.257 -0.000 4.273) 4.281 6.515 ( 0.165 0.000 -2.266) 2.272 8.521 ( -0.420 -0.000 32.188) 32.190 9.095 ( 3.484 0.000 -24.803) 25.047 9.423 ( 0.555 0.000 8.633) 8.651 9.785 ( 3.507 0.000 -20.350) 20.650 10.705 ( -0.437 -0.000 3.266) 3.295 10.825 ( 1.143 0.000 -6.967) 7.060 12.085 ( -0.655 -0.000 9.031) 9.054 12.809 ( 0.889 0.000 -14.428) 14.455 13.558 ( 0.119 0.000 35.929) 35.929 14.572 ( 8.394 0.000 -40.392) 41.255 15.824 ( -0.980 -0.000 15.363) 15.394 16.114 ( -10.143 -0.000 19.791) 22.238 16.231 ( 0.446 0.000 1.352) 1.424 16.312 ( 0.717 0.000 -10.709) 10.733 16.421 ( -7.526 -0.000 -5.947) 9.592 16.860 ( 0.843 0.000 -3.099) 3.211 ======================= Grid point 584 (288/322) ======================= q-point: ( 0.46 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.295 -11.727 5.206) 12.834 1.077 ( -0.887 -12.120 3.745) 12.716 1.133 ( -1.221 -5.605 14.114) 15.235 1.388 ( 0.109 -10.959 0.152) 10.960 1.422 ( 0.152 -9.646 -1.898) 9.833 1.553 ( 1.910 -2.733 -17.896) 18.204 1.990 ( -0.738 0.578 9.940) 9.984 2.160 ( 0.317 -0.068 5.253) 5.263 2.536 ( -0.276 -0.977 0.632) 1.196 2.623 ( 0.635 3.413 8.279) 8.977 2.801 ( -0.843 0.963 -5.213) 5.367 2.868 ( 0.687 0.576 -5.825) 5.893 3.142 ( -2.017 4.995 31.282) 31.742 3.913 ( 2.013 9.303 -32.912) 34.261 4.628 ( -0.986 -6.298 13.909) 15.300 4.931 ( 0.254 2.370 -12.909) 13.128 5.117 ( -1.574 -19.120 16.971) 25.614 5.776 ( -1.655 -19.675 -5.678) 20.544 6.424 ( -0.240 -20.738 5.876) 21.556 6.779 ( 0.571 -23.520 -4.150) 23.890 8.508 ( -1.548 1.378 33.279) 33.344 9.096 ( 3.328 0.209 -24.777) 25.001 9.452 ( 0.507 -2.656 6.192) 6.756 9.800 ( 2.427 -1.079 -18.314) 18.506 10.667 ( -0.473 3.628 1.898) 4.122 10.752 ( 0.895 7.653 -4.756) 9.055 11.888 ( -0.393 15.474 5.470) 16.417 12.495 ( 0.349 26.037 -12.515) 28.891 13.526 ( -0.342 6.217 34.443) 35.001 14.445 ( 5.576 15.939 -38.701) 42.224 15.308 ( -0.757 31.808 12.810) 34.298 15.833 ( 1.215 31.801 -10.537) 33.523 16.403 ( -6.006 -26.938 18.939) 33.472 16.660 ( -5.048 -23.974 -4.990) 25.003 16.726 ( 0.030 -28.656 0.168) 28.656 17.240 ( 0.478 -24.799 -1.330) 24.839 ======================= Grid point 585 (289/322) ======================= q-point: ( 0.54 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -2.348 -6.680 16.547) 17.998 1.394 ( -0.514 -16.236 1.554) 16.318 1.401 ( 0.756 -14.843 -0.480) 14.870 1.598 ( 1.765 -7.883 -9.433) 12.419 1.655 ( 0.357 -14.247 -1.344) 14.315 1.716 ( -0.034 -13.109 -6.147) 14.479 1.987 ( -0.428 -1.040 6.839) 6.931 2.173 ( -0.039 -1.461 4.060) 4.315 2.576 ( -0.114 -1.565 0.243) 1.588 2.625 ( 0.196 -5.189 8.283) 9.776 2.789 ( -0.656 -0.466 -4.941) 5.006 2.861 ( 0.382 0.047 -4.582) 4.598 3.115 ( -1.281 -3.830 21.444) 21.821 3.808 ( 2.044 -0.791 -29.788) 29.869 4.690 ( -0.203 -2.310 4.813) 5.343 4.880 ( 0.333 1.430 -9.484) 9.597 5.599 ( -0.886 -24.112 15.101) 28.465 6.248 ( -1.011 -25.320 2.284) 25.443 6.920 ( -0.383 -25.828 9.255) 27.439 7.311 ( 0.959 -24.931 -7.231) 25.976 8.514 ( -2.526 -4.301 34.897) 35.252 9.130 ( 2.718 -4.064 -24.320) 24.806 9.537 ( 0.790 -5.149 -0.919) 5.290 9.864 ( 0.574 -5.870 -10.469) 12.016 10.526 ( -0.114 12.601 -1.130) 12.652 10.579 ( 0.197 5.656 -2.942) 6.379 11.629 ( 0.305 8.282 -2.904) 8.782 11.949 ( 0.040 25.338 -7.692) 26.480 13.284 ( -1.072 18.485 31.607) 36.631 13.957 ( 2.500 31.036 -28.498) 42.210 14.696 ( -0.950 29.923 13.961) 33.033 15.191 ( 1.582 30.863 -19.350) 36.461 16.999 ( -1.772 -30.040 15.952) 34.059 17.188 ( -1.969 -25.882 -1.689) 26.012 17.269 ( -0.489 -26.299 -2.615) 26.433 17.708 ( 0.011 -21.158 0.466) 21.163 ======================= Grid point 586 (290/322) ======================= q-point: (-0.38 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -1.957 -8.289 12.813) 15.385 1.597 ( 1.184 -5.828 -7.110) 9.269 1.654 ( 0.307 -7.827 -0.521) 7.850 1.835 ( 1.254 -13.556 1.506) 13.697 1.922 ( 0.218 -11.322 -2.723) 11.647 1.982 ( -0.756 -13.501 -4.145) 14.143 2.089 ( -0.080 -9.897 2.242) 10.148 2.240 ( -0.445 -5.807 2.422) 6.308 2.609 ( -0.500 -2.178 1.585) 2.740 2.730 ( 0.308 -2.997 0.240) 3.022 2.801 ( 0.195 -0.245 -1.614) 1.644 2.862 ( -0.065 0.304 -1.475) 1.507 3.386 ( -0.901 -23.577 9.761) 25.534 3.989 ( 1.878 -17.250 -20.310) 26.713 4.764 ( -0.079 -5.291 0.335) 5.302 4.898 ( 0.347 -3.723 -5.872) 6.961 5.981 ( -0.189 -13.136 8.120) 15.444 6.704 ( -0.424 -18.440 7.773) 20.016 7.360 ( -0.656 -16.241 10.535) 19.370 7.614 ( 0.151 -4.432 -1.736) 4.763 8.792 ( -1.358 -23.472 25.178) 34.449 9.308 ( 1.319 -13.523 -17.277) 21.980 9.658 ( 0.656 -7.313 -7.446) 10.457 10.012 ( -0.385 -5.781 1.184) 5.913 10.303 ( 0.210 6.937 -7.785) 10.430 10.514 ( 0.094 -1.399 -4.698) 4.903 11.516 ( -0.442 13.284 -1.914) 13.428 11.576 ( 0.908 2.149 -7.131) 7.503 12.810 ( -1.307 27.796 24.066) 36.790 13.319 ( 0.944 30.923 -18.079) 35.832 14.080 ( -1.628 31.123 19.570) 36.801 14.610 ( 2.084 27.709 -28.779) 40.004 17.516 ( 0.076 -20.448 14.026) 24.797 17.595 ( -0.753 -16.063 3.944) 16.558 17.783 ( -0.181 -23.658 -6.062) 24.423 18.080 ( -0.229 -15.917 -0.034) 15.919 ======================= Grid point 587 (291/322) ======================= q-point: (-0.31 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -0.781 -4.627 5.203) 7.007 1.642 ( 0.148 0.783 -0.180) 0.817 1.800 ( 1.369 -7.610 -4.961) 9.187 2.032 ( 0.622 -4.536 -2.153) 5.060 2.134 ( -0.363 -11.255 5.013) 12.327 2.257 ( -0.415 -13.273 -4.170) 13.919 2.321 ( -0.036 -11.557 -0.149) 11.558 2.400 ( -0.428 -9.244 0.452) 9.265 2.663 ( -0.778 -3.311 0.968) 3.536 2.760 ( -0.693 -0.559 0.033) 0.891 2.792 ( 1.040 1.196 -0.142) 1.591 2.850 ( 0.194 0.415 0.039) 0.460 3.956 ( -0.321 -30.582 -0.151) 30.584 4.460 ( 1.116 -27.110 -8.929) 28.564 4.903 ( -0.049 -8.971 -2.272) 9.254 5.040 ( 0.514 -10.265 -4.132) 11.078 6.132 ( -0.104 -2.395 4.347) 4.964 6.910 ( -0.495 -0.683 8.725) 8.766 7.559 ( -1.019 -4.855 7.860) 9.295 7.624 ( 0.223 0.115 3.143) 3.153 9.328 ( -0.120 -26.600 12.813) 29.525 9.589 ( 0.210 -11.924 -1.024) 11.970 9.889 ( 0.567 -16.179 -10.799) 19.460 10.039 ( -0.582 -0.607 5.413) 5.478 10.243 ( 0.659 0.659 -11.590) 11.628 10.711 ( -0.360 -16.190 -3.869) 16.650 11.286 ( -0.132 8.071 1.225) 8.164 11.599 ( 0.128 0.050 -3.167) 3.170 12.267 ( -0.785 22.904 11.695) 25.729 12.740 ( 0.238 26.437 -11.236) 28.727 13.477 ( -1.726 27.832 21.296) 35.087 14.062 ( 2.177 27.181 -32.706) 42.582 17.814 ( 0.390 -9.613 9.583) 13.579 17.858 ( -0.685 -10.272 11.889) 15.727 18.181 ( 0.517 -15.939 -6.944) 17.394 18.344 ( -0.226 -10.520 -2.040) 10.719 ======================= Grid point 588 (292/322) ======================= q-point: (-0.23 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 0.070 -1.852 0.134) 1.858 1.611 ( 0.075 1.770 -0.891) 1.983 1.942 ( 1.161 -5.494 -3.179) 6.453 2.080 ( -0.058 -1.096 -2.635) 2.855 2.343 ( -0.113 -9.284 7.522) 11.949 2.478 ( -0.290 -8.502 -5.466) 10.112 2.514 ( -0.105 -7.125 -0.115) 7.127 2.568 ( -0.407 -7.092 0.407) 7.115 2.713 ( -0.084 -1.038 0.015) 1.042 2.742 ( -0.981 1.364 1.301) 2.125 2.797 ( 0.840 -1.683 0.317) 1.908 2.852 ( 0.131 -0.309 -0.176) 0.379 4.527 ( -0.310 -25.004 -2.106) 25.095 4.902 ( 0.326 -12.380 -0.631) 12.400 5.210 ( 0.324 -23.360 -4.372) 23.768 5.288 ( 0.561 -13.418 -4.780) 14.256 6.112 ( -0.243 3.304 3.069) 4.515 6.756 ( -0.709 13.976 7.825) 16.033 7.611 ( -0.740 -1.067 4.310) 4.501 7.633 ( 0.461 -0.259 3.683) 3.721 9.764 ( -0.283 -15.073 8.315) 17.216 9.842 ( 0.382 -14.966 4.443) 15.617 10.080 ( -0.522 -3.669 3.436) 5.054 10.193 ( 0.551 -11.277 -1.411) 11.379 10.289 ( 0.062 -4.565 -11.302) 12.190 11.014 ( -0.649 -9.149 1.788) 9.345 11.166 ( 0.090 2.938 -0.540) 2.988 11.486 ( -0.587 8.944 8.909) 12.638 12.002 ( -0.299 5.194 2.835) 5.925 12.292 ( 0.225 16.517 -12.253) 20.567 13.012 ( -0.993 16.724 12.815) 21.093 13.531 ( 2.100 25.132 -32.530) 41.160 17.952 ( 0.096 -4.473 10.707) 11.604 18.000 ( -0.691 -4.129 14.177) 14.782 18.427 ( 0.776 -8.758 -7.414) 11.501 18.503 ( -0.087 -5.642 -4.197) 7.033 ======================= Grid point 589 (293/322) ======================= q-point: (-0.15 -0.62 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 0.290 -1.095 -1.710) 2.051 1.580 ( 0.042 1.205 -1.858) 2.214 2.020 ( 0.634 -2.164 -2.197) 3.148 2.088 ( -0.094 0.150 -2.152) 2.160 2.505 ( 0.213 -6.555 5.596) 8.621 2.552 ( -0.570 1.292 -0.258) 1.436 2.613 ( -0.156 -3.374 -1.135) 3.564 2.667 ( -0.385 -2.525 0.250) 2.566 2.713 ( 0.481 0.392 -0.691) 0.929 2.729 ( -0.065 -0.100 -0.033) 0.124 2.839 ( 0.003 -1.650 0.369) 1.691 2.853 ( -0.016 0.436 -0.541) 0.695 4.913 ( -0.666 -12.994 -1.064) 13.054 5.021 ( 0.650 -0.291 -0.241) 0.751 5.541 ( 0.428 -10.591 -4.972) 11.708 5.610 ( 0.330 -9.050 -4.577) 10.147 6.100 ( -0.473 -7.332 4.743) 8.745 6.414 ( -0.424 18.838 6.105) 19.807 7.613 ( -0.535 0.200 3.287) 3.337 7.634 ( 0.283 0.148 2.961) 2.979 10.002 ( -0.492 -7.945 9.183) 12.153 10.061 ( -0.159 -4.228 8.817) 9.779 10.186 ( 0.260 -6.991 -3.010) 7.616 10.295 ( 0.046 4.071 -6.872) 7.988 10.440 ( -0.363 -15.838 5.469) 16.760 10.829 ( -0.616 19.121 7.567) 20.573 11.290 ( 0.222 -6.817 -1.133) 6.914 11.377 ( -0.574 2.418 5.803) 6.313 11.965 ( -0.026 -2.046 5.518) 5.885 12.067 ( -0.265 7.811 -5.698) 9.672 12.870 ( 0.588 -2.972 -10.112) 10.556 13.091 ( 1.771 17.714 -26.819) 32.189 18.016 ( -0.170 -1.911 12.847) 12.990 18.043 ( -1.106 -0.564 13.980) 14.035 18.545 ( 0.798 -3.084 -7.071) 7.756 18.573 ( 0.048 -1.574 -6.007) 6.210 ======================= Grid point 590 (294/322) ======================= q-point: (-0.08 0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -0.113 0.719 -1.784) 1.927 1.577 ( 0.210 -1.201 -1.765) 2.145 2.034 ( -0.705 0.949 -1.935) 2.267 2.076 ( 0.688 0.985 -1.965) 2.303 2.472 ( -0.335 5.798 4.693) 7.467 2.593 ( 0.550 -0.954 0.451) 1.190 2.631 ( -0.183 1.984 -0.733) 2.123 2.650 ( 0.356 3.651 -1.535) 3.977 2.714 ( -0.367 -0.532 0.298) 0.712 2.738 ( -0.163 -0.976 -0.334) 1.045 2.825 ( 0.219 2.350 0.337) 2.384 2.851 ( -0.019 0.494 -0.189) 0.529 4.900 ( 0.708 12.543 -1.408) 12.642 5.037 ( -0.606 0.398 -0.091) 0.731 5.540 ( 0.138 10.690 -4.640) 11.654 5.606 ( 0.324 9.445 -4.433) 10.438 6.103 ( -0.125 7.008 4.253) 8.198 6.414 ( -0.349 -18.873 6.011) 19.810 7.607 ( 0.193 0.305 2.963) 2.985 7.641 ( -0.824 -0.566 3.553) 3.691 10.012 ( -0.677 8.053 9.674) 12.605 10.048 ( -0.869 4.177 9.126) 10.074 10.173 ( 0.446 6.727 -3.673) 7.677 10.314 ( 0.453 -3.982 -6.676) 7.786 10.440 ( -0.366 16.235 5.528) 17.154 10.816 ( -0.247 -18.568 7.444) 20.006 11.296 ( -0.092 6.925 -1.305) 7.048 11.369 ( -0.091 -2.266 5.561) 6.006 11.961 ( -0.609 1.441 4.702) 4.955 12.078 ( 0.877 -7.904 -5.009) 9.399 12.870 ( 0.688 2.899 -9.964) 10.400 13.090 ( 1.678 -17.668 -26.891) 32.220 18.030 ( -1.179 1.537 12.984) 13.128 18.040 ( -1.010 -0.091 13.771) 13.808 18.551 ( 0.212 2.586 -6.296) 6.810 18.573 ( 0.520 1.424 -6.784) 6.951 ======================= Grid point 597 (295/322) ======================= q-point: ( 0.46 0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.224 -0.000 3.404) 3.411 0.936 ( -0.197 -0.000 2.525) 2.533 1.101 ( -1.965 -0.000 18.024) 18.131 1.268 ( 0.014 0.000 0.735) 0.735 1.312 ( 0.003 0.000 -1.454) 1.454 1.537 ( 2.510 0.000 -18.498) 18.668 1.997 ( -0.707 -0.000 10.753) 10.777 2.162 ( 0.048 0.000 5.622) 5.623 2.529 ( -0.321 -0.000 -0.404) 0.516 2.675 ( 0.840 0.000 3.406) 3.508 2.812 ( -0.356 -0.000 -4.654) 4.668 2.876 ( 0.361 0.000 -6.040) 6.051 3.228 ( -2.527 -0.000 39.098) 39.179 4.052 ( 2.178 0.000 -32.652) 32.725 4.481 ( -1.720 -0.000 26.320) 26.376 4.940 ( -0.968 -0.000 5.534) 5.618 4.954 ( 0.604 0.000 -12.481) 12.495 5.564 ( -0.357 -0.000 -8.175) 8.182 6.195 ( -0.237 -0.000 4.252) 4.258 6.515 ( 0.141 0.000 -2.260) 2.264 8.527 ( -2.222 -0.000 32.141) 32.217 9.108 ( 3.090 0.000 -24.609) 24.802 9.430 ( -0.016 -0.000 8.868) 8.868 9.799 ( 2.525 0.000 -20.808) 20.961 10.702 ( -0.732 -0.000 3.199) 3.282 10.832 ( 1.376 0.000 -7.069) 7.202 12.084 ( -0.633 -0.000 9.042) 9.064 12.809 ( 0.919 0.000 -14.423) 14.452 13.573 ( -1.087 -0.000 36.081) 36.097 14.602 ( 4.277 0.000 -41.327) 41.547 15.824 ( -0.995 -0.000 15.360) 15.393 16.071 ( -3.163 -0.000 21.849) 22.077 16.236 ( 0.670 0.000 1.365) 1.520 16.312 ( 0.729 0.000 -10.721) 10.746 16.370 ( -4.407 -0.000 -6.748) 8.060 16.863 ( 0.311 0.000 -2.963) 2.979 ======================= Grid point 598 (296/322) ======================= q-point: (-0.46 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.335 -11.161 5.781) 12.574 1.072 ( -0.974 -11.620 4.313) 12.433 1.130 ( -1.025 -6.619 12.416) 14.107 1.389 ( 0.199 -11.046 0.041) 11.048 1.421 ( 0.030 -9.779 -1.635) 9.915 1.562 ( 2.500 -2.459 -18.035) 18.373 1.990 ( -0.517 0.562 9.948) 9.977 2.163 ( -0.257 -0.039 5.127) 5.133 2.533 ( -0.581 -0.943 0.873) 1.410 2.632 ( 0.385 3.420 8.591) 9.254 2.794 ( -0.306 1.092 -5.935) 6.042 2.869 ( 0.292 0.508 -5.424) 5.455 3.143 ( -1.764 4.920 30.986) 31.424 3.913 ( 2.208 9.325 -32.904) 34.271 4.628 ( -0.711 -6.363 14.219) 15.595 4.926 ( 0.129 2.132 -12.475) 12.656 5.119 ( -0.090 -19.019 16.151) 24.952 5.768 ( 0.270 -19.659 -5.827) 20.506 6.424 ( -0.343 -20.772 5.859) 21.585 6.780 ( 0.285 -23.636 -4.170) 24.003 8.506 ( -3.224 1.436 33.324) 33.510 9.108 ( 2.736 0.247 -24.768) 24.920 9.457 ( 0.019 -2.731 6.209) 6.783 9.806 ( 1.376 -0.763 -18.618) 18.685 10.663 ( -0.713 3.600 1.891) 4.129 10.757 ( 1.056 7.822 -4.845) 9.261 11.888 ( -0.303 15.423 5.397) 16.343 12.493 ( 0.683 26.181 -12.430) 28.990 13.536 ( -1.772 6.259 34.515) 35.122 14.455 ( 1.910 16.182 -38.901) 42.176 15.308 ( -0.874 31.798 12.706) 34.254 15.836 ( 0.918 31.860 -10.709) 33.624 16.392 ( 0.873 -27.187 19.908) 33.708 16.629 ( -2.020 -24.501 -5.591) 25.211 16.727 ( 0.098 -28.570 0.451) 28.574 17.241 ( -0.075 -24.780 -1.243) 24.811 ======================= Grid point 599 (297/322) ======================= q-point: (-0.38 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -2.042 -6.627 16.405) 17.810 1.390 ( -0.565 -16.314 1.808) 16.423 1.407 ( 0.926 -14.977 -0.462) 15.012 1.608 ( 2.028 -8.041 -9.553) 12.650 1.658 ( 0.475 -14.251 -1.244) 14.313 1.712 ( -0.148 -12.724 -6.539) 14.307 1.988 ( -0.213 -1.017 6.766) 6.846 2.173 ( -0.629 -1.383 4.081) 4.354 2.572 ( -0.956 -1.811 0.383) 2.083 2.631 ( 0.337 -4.910 8.788) 10.072 2.784 ( 0.073 -0.676 -5.566) 5.607 2.860 ( -0.048 0.145 -4.250) 4.253 3.117 ( -0.944 -3.678 21.086) 21.425 3.810 ( 2.326 -0.907 -29.846) 29.950 4.691 ( -0.267 -2.278 4.899) 5.410 4.878 ( 0.336 1.326 -9.389) 9.489 5.604 ( 0.359 -23.967 14.591) 28.061 6.248 ( 0.709 -25.404 2.269) 25.515 6.920 ( -0.736 -25.839 9.232) 27.449 7.311 ( 0.041 -24.900 -7.257) 25.936 8.508 ( -3.415 -4.594 34.888) 35.354 9.136 ( 2.070 -3.865 -24.388) 24.779 9.541 ( 0.487 -5.101 -1.179) 5.258 9.861 ( -0.063 -5.740 -10.337) 11.824 10.525 ( -0.018 12.491 -1.004) 12.532 10.578 ( 0.066 5.891 -2.929) 6.579 11.630 ( 0.299 8.317 -3.016) 8.852 11.947 ( 0.549 25.309 -7.530) 26.411 13.287 ( -2.218 18.519 31.595) 36.690 13.955 ( 0.434 30.957 -28.507) 42.085 14.694 ( -1.356 30.007 14.040) 33.157 15.194 ( 1.457 30.850 -19.424) 36.484 17.010 ( 2.507 -29.789 16.014) 33.914 17.178 ( -0.286 -26.506 -2.203) 26.599 17.267 ( 0.218 -25.923 -2.067) 26.007 17.707 ( -0.417 -21.141 0.590) 21.153 ======================= Grid point 600 (298/322) ======================= q-point: (-0.31 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -1.448 -8.392 12.858) 15.422 1.603 ( 1.083 -5.594 -5.576) 7.972 1.658 ( 0.776 -8.248 -1.732) 8.464 1.845 ( 1.164 -13.564 0.944) 13.647 1.921 ( -0.106 -10.881 -3.007) 11.290 1.975 ( -0.468 -13.625 -3.807) 14.154 2.090 ( 0.015 -9.832 2.201) 10.075 2.237 ( -0.831 -5.791 2.653) 6.423 2.602 ( -1.303 -2.182 1.808) 3.119 2.731 ( 0.029 -2.708 0.100) 2.710 2.806 ( 1.261 -0.429 -1.678) 2.143 2.860 ( -0.285 0.137 -1.446) 1.480 3.385 ( -0.674 -23.441 9.884) 25.448 3.994 ( 1.934 -17.282 -20.591) 26.952 4.764 ( -0.158 -5.223 0.419) 5.242 4.898 ( 0.466 -3.839 -5.885) 7.042 5.986 ( 0.432 -12.907 7.797) 15.085 6.710 ( 0.904 -18.287 7.809) 19.905 7.357 ( -1.227 -16.160 10.500) 19.310 7.609 ( -1.174 -4.626 -1.726) 5.075 8.794 ( -1.361 -23.894 24.921) 34.552 9.309 ( 1.099 -13.403 -17.446) 22.028 9.658 ( 0.492 -7.151 -7.567) 10.423 10.009 ( -0.373 -6.007 1.415) 6.183 10.301 ( 0.419 6.941 -7.615) 10.312 10.510 ( -0.334 -1.236 -4.536) 4.713 11.512 ( -0.238 12.745 -1.835) 12.878 11.579 ( 0.846 2.777 -7.119) 7.688 12.810 ( -1.839 27.758 23.998) 36.739 13.313 ( -0.104 30.756 -18.136) 35.705 14.076 ( -1.881 31.084 19.821) 36.914 14.612 ( 1.968 27.749 -28.765) 40.016 17.532 ( 2.226 -20.048 13.893) 24.493 17.593 ( -0.204 -16.058 3.777) 16.497 17.783 ( 0.930 -23.686 -5.748) 24.391 18.077 ( -0.486 -15.917 0.126) 15.925 ======================= Grid point 601 (299/322) ======================= q-point: (-0.23 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -0.329 -4.799 5.396) 7.228 1.642 ( -0.002 0.838 -0.118) 0.846 1.811 ( 1.997 -7.536 -5.116) 9.325 2.032 ( -0.169 -4.182 -3.146) 5.236 2.135 ( -0.202 -11.487 5.885) 12.908 2.254 ( 0.029 -13.270 -4.103) 13.890 2.320 ( -0.038 -11.515 -0.038) 11.515 2.396 ( -0.659 -9.307 0.573) 9.348 2.656 ( -1.229 -3.476 1.111) 3.851 2.753 ( -0.810 -0.079 0.122) 0.823 2.804 ( 1.818 0.920 -0.129) 2.042 2.850 ( -0.179 0.321 -0.229) 0.433 3.954 ( -0.180 -30.512 0.100) 30.512 4.464 ( 0.967 -27.027 -9.270) 28.588 4.901 ( 0.016 -9.014 -2.160) 9.269 5.043 ( 0.594 -10.291 -4.238) 11.146 6.134 ( 0.125 -2.210 4.251) 4.793 6.913 ( 0.083 -0.232 8.926) 8.929 7.553 ( -1.339 -4.962 7.550) 9.134 7.624 ( -0.507 -0.367 3.065) 3.128 9.334 ( -0.081 -26.584 12.621) 29.427 9.591 ( 0.253 -12.037 -1.167) 12.096 9.888 ( 0.704 -16.308 -10.867) 19.609 10.038 ( -0.470 -0.513 5.708) 5.750 10.243 ( 0.671 0.804 -11.478) 11.526 10.705 ( -0.677 -16.291 -3.690) 16.718 11.286 ( -0.125 8.056 1.263) 8.156 11.597 ( -0.145 0.085 -3.259) 3.263 12.267 ( -0.757 22.876 11.735) 25.722 12.734 ( -0.228 26.293 -11.143) 28.558 13.474 ( -1.769 27.744 21.550) 35.175 14.062 ( 2.087 27.206 -32.677) 42.572 17.824 ( 0.921 -9.189 8.344) 12.446 17.862 ( 0.129 -10.317 12.881) 16.504 18.184 ( 1.157 -15.883 -6.691) 17.274 18.341 ( -0.340 -10.543 -1.895) 10.717 ======================= Grid point 602 (300/322) ======================= q-point: (-0.15 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.324 -1.874 0.222) 1.915 1.611 ( 0.000 1.776 -0.925) 2.003 1.951 ( 1.645 -5.248 -3.259) 6.393 2.077 ( -0.508 -1.153 -2.821) 3.089 2.345 ( -0.364 -9.333 7.814) 12.178 2.475 ( 0.240 -8.375 -5.405) 9.970 2.514 ( -0.041 -7.130 0.071) 7.130 2.564 ( -0.616 -7.138 0.391) 7.175 2.712 ( -0.163 -1.548 0.055) 1.557 2.736 ( -0.648 0.971 1.584) 1.967 2.804 ( 0.917 -0.920 0.247) 1.323 2.851 ( -0.258 -0.344 -0.542) 0.692 4.523 ( -0.342 -24.887 -1.939) 24.964 4.905 ( 0.414 -12.459 -0.654) 12.483 5.210 ( 0.258 -23.370 -4.529) 23.806 5.290 ( 0.579 -13.372 -4.797) 14.218 6.112 ( -0.143 3.406 3.086) 4.599 6.755 ( -0.639 14.032 7.933) 16.132 7.607 ( -0.786 -0.968 3.831) 4.029 7.638 ( 0.316 -0.551 3.939) 3.990 9.766 ( -0.191 -14.909 8.313) 17.070 9.847 ( 0.306 -15.105 4.281) 15.703 10.077 ( -0.597 -3.623 3.503) 5.075 10.197 ( 0.664 -11.212 -1.522) 11.334 10.284 ( 0.106 -4.583 -11.090) 12.000 11.009 ( -0.816 -9.180 1.897) 9.410 11.166 ( 0.015 2.799 -0.693) 2.883 11.485 ( -0.797 8.842 8.582) 12.348 12.001 ( -0.151 5.185 3.065) 6.025 12.287 ( 0.182 16.492 -11.812) 20.287 13.011 ( -0.958 16.649 12.885) 21.074 13.531 ( 2.062 25.115 -32.491) 41.118 17.959 ( 0.330 -4.356 10.373) 11.255 18.003 ( -0.340 -3.883 14.350) 14.870 18.430 ( 1.096 -8.692 -7.237) 11.364 18.500 ( -0.137 -5.663 -4.127) 7.009 ======================= Grid point 603 (301/322) ======================= q-point: (-0.08 -0.54 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.372 -1.036 -1.714) 2.037 1.579 ( 0.007 1.240 -1.843) 2.222 2.025 ( 0.817 -1.764 -2.227) 2.956 2.085 ( -0.271 -0.046 -2.167) 2.185 2.506 ( -0.688 -6.459 5.221) 8.334 2.552 ( 0.372 1.019 0.285) 1.122 2.612 ( 0.150 -3.297 -0.919) 3.426 2.663 ( -0.588 -2.585 0.087) 2.653 2.717 ( 0.626 0.352 -0.762) 1.047 2.728 ( -0.130 -0.044 0.098) 0.169 2.839 ( -0.114 -1.630 0.246) 1.652 2.853 ( -0.080 0.372 -0.597) 0.708 4.907 ( -0.749 -12.890 -1.014) 12.951 5.027 ( 0.806 -0.419 -0.237) 0.939 5.542 ( 0.418 -10.523 -4.976) 11.648 5.610 ( 0.260 -9.062 -4.651) 10.190 6.099 ( -0.423 -7.315 4.789) 8.754 6.414 ( -0.425 18.734 6.105) 19.708 7.610 ( -0.706 -0.101 3.213) 3.292 7.639 ( 0.461 0.561 2.999) 3.085 10.003 ( -0.381 -7.834 9.278) 12.150 10.063 ( -0.403 -3.969 8.890) 9.744 10.186 ( 0.078 -7.380 -3.383) 8.119 10.293 ( 0.358 4.094 -6.572) 7.751 10.440 ( -0.338 -15.716 5.445) 16.636 10.827 ( -0.792 18.919 7.393) 20.328 11.291 ( 0.314 -6.924 -1.171) 7.030 11.375 ( -0.680 2.473 5.708) 6.257 11.967 ( -0.103 -2.178 5.529) 5.943 12.062 ( -0.079 7.771 -5.358) 9.439 12.869 ( 0.603 -2.967 -10.122) 10.565 13.091 ( 1.760 17.694 -26.789) 32.154 18.022 ( -0.209 -1.773 12.666) 12.791 18.042 ( -0.933 -0.308 14.110) 14.145 18.548 ( 0.996 -3.015 -6.964) 7.654 18.570 ( -0.069 -1.584 -6.040) 6.245 ======================= Grid point 611 (302/322) ======================= q-point: (-0.46 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.225 -0.000 3.439) 3.446 0.935 ( -0.163 -0.000 2.505) 2.510 1.094 ( -2.029 -0.000 17.774) 17.890 1.269 ( 0.187 0.000 0.708) 0.732 1.310 ( -0.142 -0.000 -1.412) 1.419 1.549 ( 2.994 0.000 -18.801) 19.037 1.998 ( -0.482 -0.000 10.741) 10.752 2.163 ( -0.553 -0.000 5.508) 5.536 2.525 ( -0.702 -0.000 -0.190) 0.727 2.682 ( 0.476 0.000 3.415) 3.448 2.810 ( 0.483 0.000 -5.174) 5.197 2.874 ( -0.003 -0.000 -5.716) 5.716 3.228 ( -2.547 -0.000 39.084) 39.167 4.052 ( 2.149 0.000 -32.668) 32.739 4.485 ( -0.639 -0.000 26.250) 26.258 4.935 ( -0.321 -0.000 -3.014) 3.031 4.956 ( 0.959 0.000 -3.975) 4.089 5.565 ( 1.605 0.000 -8.270) 8.424 6.196 ( -0.225 -0.000 4.225) 4.231 6.515 ( 0.117 0.000 -2.252) 2.255 8.518 ( -4.041 -0.000 32.248) 32.500 9.118 ( 2.433 0.000 -24.877) 24.996 9.432 ( -0.640 -0.000 8.690) 8.714 9.803 ( 1.170 0.000 -21.103) 21.136 10.697 ( -0.925 -0.000 3.177) 3.309 10.839 ( 1.416 0.000 -7.302) 7.438 12.084 ( -0.600 -0.000 9.062) 9.082 12.809 ( 0.951 0.000 -14.423) 14.455 13.577 ( -2.615 -0.000 35.943) 36.038 14.597 ( -0.255 -0.000 -40.954) 40.955 15.824 ( -1.007 -0.000 15.359) 15.392 16.087 ( 4.121 0.000 20.856) 21.259 16.244 ( 1.362 0.000 2.101) 2.503 16.313 ( 0.731 0.000 -10.739) 10.764 16.348 ( -0.281 -0.000 -6.723) 6.729 16.861 ( -0.494 -0.000 -2.792) 2.836 ======================= Grid point 612 (303/322) ======================= q-point: (-0.38 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.371 -10.234 6.763) 12.273 1.066 ( -0.942 -11.602 4.492) 12.477 1.129 ( -0.894 -7.607 11.478) 13.799 1.391 ( 0.323 -11.070 -0.115) 11.075 1.420 ( -0.135 -9.950 -1.368) 10.045 1.574 ( 2.899 -2.177 -18.683) 19.032 1.992 ( -0.303 0.552 9.853) 9.874 2.161 ( -0.878 -0.004 5.075) 5.150 2.527 ( -0.889 -0.951 0.774) 1.515 2.638 ( -0.063 3.439 9.235) 9.855 2.791 ( 0.514 1.272 -6.383) 6.528 2.867 ( -0.141 0.468 -5.200) 5.223 3.145 ( -1.556 4.742 30.727) 31.130 3.914 ( 2.385 9.255 -32.978) 34.335 4.631 ( -0.468 -6.093 14.129) 15.394 4.920 ( 0.168 1.965 -12.121) 12.281 5.131 ( 1.169 -19.141 15.511) 24.664 5.775 ( 2.218 -19.578 -5.713) 20.515 6.424 ( -0.449 -20.725 5.834) 21.535 6.779 ( -0.017 -23.565 -4.173) 23.931 8.491 ( -4.703 1.331 33.453) 33.808 9.114 ( 1.929 0.308 -25.151) 25.227 9.459 ( -0.508 -2.881 5.912) 6.596 9.802 ( 0.224 -0.606 -18.748) 18.759 10.658 ( -0.830 3.564 1.930) 4.137 10.763 ( 1.054 7.955 -5.010) 9.460 11.888 ( -0.216 15.367 5.374) 16.281 12.493 ( 1.043 26.180 -12.355) 28.968 13.533 ( -3.335 6.234 34.273) 34.994 14.437 ( -1.447 15.842 -38.282) 41.456 15.307 ( -0.989 31.888 12.748) 34.356 15.836 ( 0.596 31.805 -10.783) 33.589 16.435 ( 7.263 -26.462 18.825) 33.277 16.624 ( 1.515 -24.567 -4.990) 25.114 16.728 ( 0.188 -28.508 0.388) 28.511 17.238 ( -0.692 -24.832 -1.092) 24.866 ======================= Grid point 613 (304/322) ======================= q-point: (-0.31 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -1.592 -6.659 16.673) 18.024 1.387 ( -0.572 -16.219 1.976) 16.349 1.414 ( 0.873 -15.383 -0.003) 15.408 1.620 ( 2.226 -8.327 -9.611) 12.910 1.661 ( 0.492 -14.127 -1.383) 14.203 1.707 ( -0.218 -12.188 -7.305) 14.211 1.990 ( -0.022 -1.000 6.585) 6.661 2.168 ( -1.169 -1.352 4.173) 4.540 2.562 ( -1.551 -1.774 0.731) 2.468 2.638 ( 0.191 -4.843 8.930) 10.160 2.786 ( 0.995 -0.981 -5.864) 6.028 2.856 ( -0.495 0.224 -4.097) 4.133 3.122 ( -0.705 -3.515 20.988) 21.291 3.815 ( 2.518 -0.984 -30.090) 30.211 4.691 ( -0.344 -2.219 4.923) 5.411 4.876 ( 0.400 1.192 -9.275) 9.360 5.618 ( 1.340 -23.640 13.854) 27.433 6.261 ( 2.285 -25.369 2.521) 25.596 6.917 ( -1.059 -25.747 9.191) 27.358 7.304 ( -0.854 -24.583 -7.176) 25.623 8.496 ( -4.020 -5.255 34.744) 35.368 9.137 ( 1.310 -3.790 -24.653) 24.977 9.543 ( 0.101 -5.125 -1.522) 5.347 9.853 ( -0.545 -5.863 -10.156) 11.739 10.525 ( 0.081 12.200 -0.887) 12.232 10.577 ( -0.025 6.300 -2.864) 6.921 11.631 ( 0.268 8.418 -3.048) 8.957 11.950 ( 1.037 25.302 -7.403) 26.383 13.281 ( -3.311 18.330 31.274) 36.401 13.936 ( -1.278 30.404 -28.361) 41.598 14.689 ( -1.640 30.124 14.523) 33.483 15.195 ( 1.285 30.798 -19.527) 36.489 17.052 ( 6.009 -28.672 15.066) 32.942 17.181 ( 1.475 -26.142 -1.566) 26.231 17.270 ( 0.900 -26.143 -2.115) 26.244 17.702 ( -0.799 -21.195 0.750) 21.223 ======================= Grid point 614 (305/322) ======================= q-point: (-0.23 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -0.817 -8.493 13.048) 15.590 1.607 ( 0.483 -5.456 -3.157) 6.322 1.665 ( 1.429 -8.640 -3.428) 9.404 1.854 ( 0.974 -13.383 -0.363) 13.423 1.917 ( -0.618 -10.469 -3.164) 10.954 1.971 ( 0.068 -13.921 -3.180) 14.280 2.091 ( 0.121 -9.684 2.129) 9.916 2.230 ( -1.116 -5.863 2.827) 6.604 2.591 ( -1.750 -2.242 1.914) 3.428 2.731 ( -0.076 -2.374 -0.020) 2.376 2.818 ( 1.843 -0.475 -1.771) 2.600 2.856 ( -0.437 -0.160 -1.373) 1.450 3.385 ( -0.455 -23.306 10.242) 25.461 3.999 ( 1.864 -17.226 -21.007) 27.231 4.762 ( -0.197 -5.189 0.479) 5.215 4.899 ( 0.554 -3.957 -5.889) 7.117 5.995 ( 0.870 -12.528 7.410) 14.581 6.725 ( 1.972 -17.958 7.947) 19.736 7.351 ( -1.698 -16.041 10.427) 19.207 7.594 ( -2.255 -4.891 -1.641) 5.630 8.795 ( -1.405 -24.391 24.485) 34.589 9.308 ( 0.871 -13.508 -17.549) 22.163 9.658 ( 0.326 -7.097 -7.592) 10.397 10.007 ( -0.303 -6.378 1.554) 6.572 10.302 ( 0.645 6.956 -7.457) 10.218 10.504 ( -0.614 -0.974 -4.377) 4.526 11.511 ( 0.008 12.143 -1.809) 12.277 11.582 ( 0.717 3.618 -7.047) 7.954 12.806 ( -2.278 27.482 23.698) 36.360 13.300 ( -0.874 30.371 -18.111) 35.372 14.070 ( -1.984 30.981 20.271) 37.077 14.612 ( 1.824 27.775 -28.756) 40.021 17.563 ( 3.711 -19.118 13.150) 23.499 17.595 ( 0.242 -15.996 3.952) 16.479 17.792 ( 1.969 -23.547 -5.289) 24.214 18.073 ( -0.651 -15.970 0.267) 15.986 ======================= Grid point 615 (306/322) ======================= q-point: (-0.15 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 0.139 -4.877 5.529) 7.374 1.641 ( -0.186 0.850 0.011) 0.871 1.826 ( 2.337 -7.508 -5.001) 9.319 2.026 ( -0.945 -4.044 -3.955) 5.735 2.137 ( -0.102 -11.524 6.409) 13.187 2.254 ( 0.524 -13.245 -3.887) 13.814 2.320 ( -0.019 -11.478 0.054) 11.478 2.391 ( -0.782 -9.364 0.489) 9.410 2.646 ( -1.345 -3.702 1.091) 4.087 2.748 ( -0.414 0.087 0.324) 0.533 2.818 ( 1.767 0.818 -0.272) 1.966 2.847 ( -0.449 0.409 -0.341) 0.697 3.954 ( 0.012 -30.382 0.367) 30.384 4.466 ( 0.735 -26.950 -9.564) 28.606 4.901 ( 0.120 -9.089 -2.113) 9.332 5.045 ( 0.587 -10.300 -4.287) 11.172 6.138 ( 0.277 -1.969 4.127) 4.581 6.920 ( 0.509 0.472 9.096) 9.122 7.546 ( -1.452 -5.253 7.211) 9.039 7.619 ( -1.173 -1.025 3.060) 3.433 9.340 ( -0.213 -26.594 12.423) 29.353 9.592 ( 0.242 -12.131 -1.154) 12.188 9.889 ( 0.850 -16.524 -10.864) 19.794 10.038 ( -0.328 -0.391 5.869) 5.891 10.242 ( 0.686 1.052 -11.317) 11.387 10.697 ( -0.781 -16.467 -3.632) 16.881 11.286 ( -0.103 8.143 1.256) 8.240 11.594 ( -0.354 0.163 -3.318) 3.340 12.267 ( -0.713 22.688 11.612) 25.497 12.726 ( -0.482 26.005 -10.960) 28.224 13.471 ( -1.720 27.634 21.830) 35.259 14.062 ( 1.999 27.208 -32.648) 42.546 17.835 ( 0.767 -8.880 7.168) 11.438 17.873 ( 1.035 -10.014 13.697) 16.999 18.192 ( 1.677 -15.678 -6.322) 16.988 18.337 ( -0.356 -10.588 -1.812) 10.748 ======================= Grid point 616 (307/322) ======================= q-point: (-0.08 -0.46 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.510 -1.819 0.269) 1.909 1.610 ( -0.071 1.753 -0.933) 1.987 1.964 ( 1.934 -4.970 -3.197) 6.218 2.070 ( -0.939 -1.315 -2.933) 3.349 2.345 ( -0.698 -9.225 7.892) 12.160 2.477 ( 0.811 -8.325 -5.219) 9.859 2.514 ( 0.045 -7.168 0.191) 7.171 2.559 ( -0.702 -7.184 0.260) 7.223 2.710 ( -0.248 -2.156 0.091) 2.172 2.734 ( -0.101 0.837 1.800) 1.988 2.811 ( 0.791 -0.199 0.226) 0.846 2.847 ( -0.598 -0.474 -0.856) 1.147 4.520 ( -0.236 -24.698 -1.834) 24.767 4.908 ( 0.404 -12.679 -0.658) 12.703 5.209 ( 0.214 -23.284 -4.648) 23.744 5.292 ( 0.519 -13.333 -4.764) 14.168 6.112 ( -0.050 3.518 3.049) 4.655 6.754 ( -0.541 14.162 7.963) 16.256 7.603 ( -0.717 -0.887 3.528) 3.707 7.641 ( 0.062 -0.983 4.130) 4.245 9.769 ( -0.180 -14.809 8.350) 17.002 9.850 ( 0.078 -15.210 4.287) 15.803 10.074 ( -0.584 -3.484 3.387) 4.895 10.201 ( 0.595 -10.954 -1.421) 11.062 10.280 ( 0.336 -4.812 -11.011) 12.021 11.004 ( -0.833 -9.093 1.993) 9.346 11.166 ( -0.035 2.557 -0.922) 2.718 11.483 ( -0.950 8.694 8.190) 11.982 12.002 ( -0.014 5.243 3.272) 6.180 12.283 ( 0.273 16.355 -11.379) 19.926 13.010 ( -0.894 16.590 12.949) 21.064 13.531 ( 2.027 25.083 -32.455) 41.068 17.967 ( 0.234 -4.252 10.232) 11.083 18.009 ( -0.046 -3.513 14.298) 14.724 18.436 ( 1.297 -8.559 -6.997) 11.131 18.497 ( -0.092 -5.668 -4.124) 7.010 ======================= Grid point 625 (308/322) ======================= q-point: (-0.38 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.226 -0.000 3.485) 3.493 0.936 ( -0.130 -0.000 2.495) 2.498 1.087 ( -2.045 -0.000 18.308) 18.421 1.272 ( 0.352 0.000 0.606) 0.701 1.308 ( -0.278 -0.000 -1.311) 1.340 1.565 ( 3.229 0.000 -19.591) 19.855 2.000 ( -0.264 -0.000 10.656) 10.660 2.159 ( -1.138 -0.000 5.481) 5.598 2.518 ( -1.081 -0.000 -0.062) 1.083 2.686 ( 0.024 0.000 3.319) 3.319 2.815 ( 1.431 0.000 -5.361) 5.549 2.870 ( -0.378 -0.000 -5.534) 5.547 3.227 ( -2.556 -0.000 39.067) 39.150 4.052 ( 2.109 0.000 -32.686) 32.754 4.497 ( 0.175 0.000 25.562) 25.563 4.932 ( 0.167 0.000 -8.686) 8.688 4.966 ( 1.502 0.000 2.184) 2.650 5.580 ( 3.330 0.000 -8.271) 8.916 6.196 ( -0.223 -0.000 4.199) 4.205 6.515 ( 0.100 0.000 -2.245) 2.248 8.497 ( -5.483 -0.000 32.508) 32.967 9.121 ( 1.599 0.000 -25.539) 25.589 9.429 ( -1.171 -0.000 8.134) 8.218 9.796 ( -0.169 -0.000 -21.168) 21.168 10.691 ( -0.963 -0.000 3.209) 3.350 10.846 ( 1.243 0.000 -7.609) 7.710 12.084 ( -0.562 -0.000 9.087) 9.105 12.809 ( 0.976 0.000 -14.429) 14.462 13.568 ( -4.110 -0.000 35.530) 35.766 14.560 ( -3.557 -0.000 -39.691) 39.850 15.824 ( -1.014 -0.000 15.359) 15.392 16.145 ( 6.960 0.000 15.277) 16.788 16.266 ( 4.776 0.000 5.243) 7.092 16.313 ( 0.724 0.000 -10.760) 10.784 16.359 ( 3.921 0.000 -5.857) 7.048 16.852 ( -1.352 -0.000 -2.464) 2.810 ======================= Grid point 626 (309/322) ======================= q-point: (-0.31 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.420 -8.684 8.462) 12.132 1.062 ( -0.756 -12.476 3.949) 13.108 1.128 ( -0.857 -8.414 11.227) 14.056 1.394 ( 0.448 -11.061 -0.298) 11.074 1.418 ( -0.303 -10.100 -1.116) 10.166 1.588 ( 3.034 -1.932 -19.683) 20.009 1.995 ( -0.118 0.555 9.664) 9.680 2.154 ( -1.400 0.028 5.128) 5.316 2.519 ( -1.225 -0.964 0.593) 1.668 2.640 ( -0.443 3.413 9.779) 10.367 2.795 ( 1.333 1.487 -6.492) 6.792 2.862 ( -0.503 0.451 -5.073) 5.118 3.149 ( -1.443 4.496 30.548) 30.911 3.917 ( 2.499 9.110 -33.121) 34.442 4.635 ( -0.346 -5.580 13.687) 14.785 4.916 ( 0.342 1.891 -11.895) 12.049 5.152 ( 2.032 -19.404 15.123) 24.685 5.796 ( 3.785 -19.467 -5.365) 20.545 6.423 ( -0.549 -20.606 5.802) 21.414 6.776 ( -0.284 -23.308 -4.148) 23.676 8.467 ( -5.639 1.071 33.648) 34.134 9.112 ( 1.033 0.378 -25.836) 25.859 9.456 ( -0.956 -3.062 5.378) 6.261 9.791 ( -0.697 -0.641 -18.669) 18.693 10.652 ( -0.787 3.525 2.022) 4.139 10.768 ( 0.883 8.025 -5.228) 9.618 11.890 ( -0.170 15.318 5.396) 16.242 12.496 ( 1.337 26.037 -12.305) 28.829 13.518 ( -4.636 6.137 33.770) 34.635 14.397 ( -3.619 15.151 -37.223) 40.351 15.305 ( -1.053 32.036 12.895) 34.550 15.834 ( 0.347 31.718 -10.814) 33.513 16.520 ( 11.400 -25.170 16.128) 31.994 16.646 ( 4.506 -24.229 -3.383) 24.875 16.731 ( 0.613 -28.316 0.045) 28.322 17.229 ( -1.228 -24.975 -0.826) 25.019 ======================= Grid point 627 (310/322) ======================= q-point: (-0.23 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -1.046 -6.776 17.278) 18.589 1.383 ( -0.549 -16.067 2.151) 16.219 1.420 ( 0.630 -15.847 0.620) 15.872 1.633 ( 2.238 -8.920 -9.110) 12.944 1.664 ( 0.358 -13.765 -1.929) 13.904 1.702 ( -0.136 -11.532 -8.515) 14.335 1.994 ( 0.117 -0.993 6.310) 6.389 2.159 ( -1.536 -1.368 4.339) 4.802 2.549 ( -1.894 -1.650 1.110) 2.746 2.643 ( 0.040 -4.847 8.807) 10.052 2.794 ( 1.764 -1.362 -5.874) 6.282 2.849 ( -0.848 0.329 -4.029) 4.130 3.127 ( -0.630 -3.374 21.134) 21.411 3.819 ( 2.582 -1.007 -30.460) 30.586 4.690 ( -0.403 -2.149 4.884) 5.351 4.875 ( 0.503 1.060 -9.164) 9.239 5.638 ( 1.884 -23.198 13.066) 26.691 6.285 ( 3.372 -25.225 2.959) 25.621 6.913 ( -1.313 -25.569 9.126) 27.180 7.291 ( -1.534 -24.039 -6.968) 25.076 8.481 ( -4.201 -6.150 34.485) 35.280 9.132 ( 0.592 -3.861 -25.049) 25.352 9.541 ( -0.275 -5.206 -1.863) 5.536 9.843 ( -0.741 -6.204 -9.963) 11.760 10.526 ( 0.172 11.755 -0.786) 11.783 10.575 ( -0.062 6.825 -2.785) 7.372 11.631 ( 0.193 8.556 -3.009) 9.072 11.956 ( 1.380 25.323 -7.340) 26.401 13.267 ( -4.078 17.956 30.717) 35.814 13.908 ( -2.267 29.550 -28.068) 40.818 14.683 ( -1.728 30.253 15.216) 33.908 15.194 ( 1.105 30.721 -19.634) 36.476 17.115 ( 7.821 -26.985 13.286) 31.079 17.197 ( 2.396 -24.903 -0.122) 25.018 17.280 ( 2.013 -26.867 -2.504) 27.058 17.695 ( -1.046 -21.320 0.938) 21.367 ======================= Grid point 628 (311/322) ======================= q-point: (-0.15 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -0.171 -8.572 13.336) 15.855 1.607 ( -0.166 -5.479 -1.047) 5.580 1.676 ( 1.775 -8.930 -4.449) 10.134 1.859 ( 0.502 -12.773 -2.691) 13.063 1.909 ( -0.861 -10.527 -2.479) 10.849 1.973 ( 0.614 -14.191 -2.641) 14.448 2.094 ( 0.215 -9.484 2.032) 9.702 2.222 ( -1.219 -6.003 2.900) 6.777 2.578 ( -1.826 -2.359 1.914) 3.544 2.731 ( 0.107 -2.140 0.040) 2.143 2.829 ( 0.967 -0.045 -2.324) 2.517 2.854 ( 0.329 -0.770 -0.964) 1.277 3.388 ( -0.296 -23.207 10.747) 25.577 4.002 ( 1.689 -17.096 -21.459) 27.489 4.761 ( -0.180 -5.198 0.499) 5.225 4.901 ( 0.586 -4.047 -5.882) 7.164 6.007 ( 1.037 -12.073 7.056) 14.022 6.748 ( 2.537 -17.515 8.142) 19.481 7.342 ( -1.970 -15.916 10.315) 19.068 7.573 ( -2.851 -5.186 -1.478) 6.100 8.796 ( -1.494 -24.845 23.964) 34.551 9.305 ( 0.694 -13.817 -17.556) 22.352 9.656 ( 0.207 -7.162 -7.510) 10.380 10.006 ( -0.190 -6.812 1.566) 6.992 10.304 ( 0.833 6.979 -7.347) 10.167 10.497 ( -0.680 -0.662 -4.255) 4.360 11.511 ( 0.243 11.501 -1.851) 11.652 11.583 ( 0.527 4.591 -6.931) 8.330 12.798 ( -2.517 27.034 23.236) 35.736 13.282 ( -1.185 29.854 -17.985) 34.873 14.065 ( -1.923 30.847 20.790) 37.249 14.612 ( 1.685 27.782 -28.753) 40.018 17.599 ( 1.863 -15.768 5.154) 16.693 17.603 ( 2.730 -18.059 11.129) 21.387 17.808 ( 2.770 -23.218 -4.674) 23.845 18.068 ( -0.681 -16.067 0.360) 16.086 ======================= Grid point 629 (312/322) ======================= q-point: (-0.08 -0.38 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.527 -4.840 5.582) 7.407 1.639 ( -0.365 0.804 0.157) 0.897 1.842 ( 2.316 -7.543 -4.561) 9.114 2.014 ( -1.539 -4.105 -4.411) 6.219 2.139 ( -0.095 -11.368 6.421) 13.056 2.258 ( 0.975 -13.217 -3.602) 13.734 2.320 ( 0.019 -11.450 0.158) 11.451 2.385 ( -0.748 -9.405 0.169) 9.436 2.636 ( -1.179 -3.947 0.968) 4.231 2.747 ( 0.053 0.109 0.606) 0.618 2.829 ( 0.597 0.183 -1.030) 1.204 2.845 ( 0.144 1.184 0.168) 1.205 3.955 ( 0.209 -30.228 0.597) 30.235 4.466 ( 0.470 -26.892 -9.752) 28.610 4.901 ( 0.236 -9.179 -2.137) 9.427 5.048 ( 0.501 -10.292 -4.272) 11.154 6.142 ( 0.314 -1.719 4.006) 4.371 6.930 ( 0.699 1.292 9.187) 9.304 7.539 ( -1.320 -5.680 6.898) 9.033 7.609 ( -1.656 -1.719 3.161) 3.961 9.343 ( -0.484 -26.634 12.263) 29.325 9.593 ( 0.176 -12.181 -0.987) 12.222 9.891 ( 0.969 -16.779 -10.796) 19.975 10.039 ( -0.186 -0.271 5.859) 5.869 10.242 ( 0.697 1.350 -11.137) 11.240 10.689 ( -0.642 -16.676 -3.717) 17.097 11.286 ( -0.065 8.309 1.211) 8.397 11.589 ( -0.458 0.256 -3.342) 3.383 12.268 ( -0.658 22.388 11.363) 25.115 12.716 ( -0.462 25.637 -10.726) 27.794 13.469 ( -1.598 27.529 22.069) 35.319 14.061 ( 1.931 27.187 -32.624) 42.512 17.843 ( 0.418 -8.835 6.955) 11.252 17.890 ( 1.367 -9.372 13.493) 16.485 18.203 ( 1.952 -15.356 -5.889) 16.561 18.333 ( -0.260 -10.649 -1.818) 10.806 ======================= Grid point 639 (313/322) ======================= q-point: (-0.31 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.226 -0.000 3.532) 3.540 0.936 ( -0.104 -0.000 2.498) 2.500 1.080 ( -1.968 -0.000 19.467) 19.566 1.275 ( 0.495 0.000 0.434) 0.658 1.305 ( -0.398 -0.000 -1.156) 1.222 1.580 ( 3.131 0.000 -20.682) 20.918 2.004 ( -0.081 -0.000 10.493) 10.493 2.151 ( -1.564 -0.000 5.577) 5.792 2.508 ( -1.374 -0.000 0.058) 1.375 2.687 ( -0.248 -0.000 3.149) 3.158 2.826 ( 2.052 0.000 -5.382) 5.760 2.863 ( -0.625 -0.000 -5.402) 5.438 3.227 ( -2.554 -0.000 39.051) 39.134 4.052 ( 2.064 0.000 -32.702) 32.767 4.512 ( 0.502 0.000 24.396) 24.401 4.930 ( 0.626 0.000 -11.125) 11.142 4.981 ( 1.890 0.000 5.494) 5.810 5.607 ( 4.480 0.000 -8.145) 9.296 6.196 ( -0.233 -0.000 4.180) 4.186 6.515 ( 0.093 0.000 -2.241) 2.243 8.467 ( -6.186 -0.000 32.860) 33.437 9.117 ( 0.725 0.000 -26.449) 26.459 9.422 ( -1.529 -0.000 7.379) 7.536 9.780 ( -1.099 -0.000 -21.001) 21.030 10.686 ( -0.823 -0.000 3.301) 3.402 10.851 ( 0.891 0.000 -7.933) 7.983 12.084 ( -0.529 -0.000 9.112) 9.127 12.810 ( 0.991 0.000 -14.438) 14.472 13.549 ( -5.180 -0.000 34.948) 35.330 14.505 ( -5.033 -0.000 -38.388) 38.717 15.823 ( -1.015 -0.000 15.360) 15.394 16.189 ( 2.554 0.000 6.386) 6.878 16.313 ( 0.708 0.000 -10.778) 10.802 16.339 ( 12.456 0.000 10.139) 16.060 16.401 ( 7.018 0.000 -4.211) 8.185 16.838 ( -1.977 -0.000 -1.827) 2.692 ======================= Grid point 640 (314/322) ======================= q-point: (-0.23 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( -0.673 -6.802 10.415) 12.458 1.059 ( -0.224 -14.033 3.033) 14.358 1.127 ( -0.879 -8.937 11.556) 14.635 1.398 ( 0.538 -11.019 -0.533) 11.045 1.414 ( -0.441 -10.217 -0.851) 10.261 1.601 ( 2.814 -1.759 -20.839) 21.102 2.000 ( 0.001 0.577 9.387) 9.405 2.144 ( -1.694 0.054 5.306) 5.571 2.509 ( -1.419 -0.957 0.487) 1.779 2.641 ( -0.662 3.337 10.088) 10.646 2.805 ( 1.840 1.673 -6.408) 6.874 2.854 ( -0.678 0.462 -4.950) 5.017 3.153 ( -1.455 4.239 30.463) 30.790 3.920 ( 2.521 8.924 -33.299) 34.566 4.639 ( -0.364 -4.987 13.034) 13.960 4.914 ( 0.604 1.906 -11.798) 11.966 5.177 ( 2.319 -19.690 14.974) 24.845 5.827 ( 4.609 -19.358 -4.862) 20.485 6.421 ( -0.629 -20.433 5.764) 21.240 6.771 ( -0.450 -22.905 -4.087) 23.271 8.439 ( -5.777 0.709 33.851) 34.348 9.104 ( 0.213 0.432 -26.658) 26.662 9.449 ( -1.256 -3.235 4.760) 5.890 9.774 ( -1.124 -0.847 -18.415) 18.469 10.648 ( -0.584 3.492 2.162) 4.149 10.771 ( 0.581 8.013 -5.468) 9.718 11.891 ( -0.189 15.295 5.452) 16.239 12.502 ( 1.495 25.787 -12.290) 28.605 13.495 ( -5.332 5.986 33.135) 34.091 14.346 ( -4.335 14.379 -36.137) 39.133 15.303 ( -1.052 32.191 13.074) 34.761 15.831 ( 0.182 31.654 -10.839) 33.458 16.620 ( 11.269 -24.357 11.902) 29.359 16.689 ( 6.536 -23.617 -0.226) 24.506 16.741 ( 2.216 -27.349 -0.799) 27.450 17.218 ( -1.517 -25.189 -0.409) 25.237 ======================= Grid point 641 (315/322) ======================= q-point: (-0.15 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -0.481 -6.952 18.080) 19.377 1.380 ( -0.485 -15.878 2.325) 16.055 1.424 ( 0.277 -16.256 1.231) 16.305 1.645 ( 1.810 -10.189 -7.214) 12.615 1.664 ( -0.040 -12.646 -3.652) 13.163 1.698 ( 0.373 -11.015 -9.956) 14.852 1.998 ( 0.165 -0.999 5.971) 6.056 2.149 ( -1.627 -1.420 4.559) 5.044 2.534 ( -1.888 -1.544 1.442) 2.833 2.648 ( -0.056 -4.906 8.613) 9.912 2.806 ( 2.066 -1.740 -5.833) 6.428 2.839 ( -0.932 0.496 -3.949) 4.087 3.133 ( -0.743 -3.284 21.461) 21.723 3.824 ( 2.510 -0.975 -30.866) 30.983 4.689 ( -0.424 -2.090 4.793) 5.246 4.875 ( 0.621 0.962 -9.084) 9.155 5.660 ( 1.862 -22.728 12.418) 25.966 6.315 ( 3.673 -25.010 3.470) 25.516 6.906 ( -1.448 -25.342 9.033) 26.943 7.274 ( -1.788 -23.390 -6.649) 24.382 8.466 ( -3.920 -7.068 34.152) 35.095 9.122 ( 0.082 -4.082 -25.470) 25.795 9.537 ( -0.557 -5.328 -2.106) 5.757 9.833 ( -0.594 -6.665 -9.822) 11.885 10.527 ( 0.258 11.277 -0.699) 11.302 10.573 ( -0.056 7.326 -2.740) 7.822 11.630 ( 0.085 8.697 -2.915) 9.173 11.964 ( 1.506 25.369 -7.348) 26.454 13.249 ( -4.329 17.486 30.055) 35.040 13.875 ( -2.349 28.602 -27.666) 39.862 14.678 ( -1.635 30.366 15.909) 34.320 15.192 ( 0.960 30.638 -19.721) 36.449 17.181 ( 6.743 -25.211 10.253) 28.039 17.217 ( 2.815 -23.322 2.006) 23.576 17.300 ( 3.557 -27.601 -2.533) 27.944 17.687 ( -1.071 -21.494 1.130) 21.550 ======================= Grid point 642 (316/322) ======================= q-point: (-0.08 -0.31 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 0.361 -8.608 13.647) 16.139 1.604 ( -0.544 -5.525 0.205) 5.556 1.687 ( 1.543 -9.224 -4.384) 10.329 1.857 ( -0.589 -11.514 -5.655) 12.842 1.903 ( -0.284 -11.336 -0.926) 11.377 1.978 ( 0.992 -14.397 -2.465) 14.640 2.096 ( 0.236 -9.273 1.953) 9.479 2.215 ( -1.063 -6.175 2.820) 6.871 2.565 ( -1.574 -2.510 1.858) 3.497 2.733 ( 0.412 -2.012 0.251) 2.069 2.828 ( -0.835 0.162 -2.647) 2.780 2.862 ( 1.667 -0.999 -0.885) 2.136 3.391 ( -0.234 -23.176 11.286) 25.779 4.004 ( 1.445 -16.920 -21.849) 27.673 4.760 ( -0.114 -5.243 0.474) 5.266 4.903 ( 0.565 -4.090 -5.863) 7.171 6.018 ( 0.874 -11.634 6.820) 13.514 6.772 ( 2.418 -17.060 8.352) 19.148 7.331 ( -1.957 -15.833 10.165) 18.917 7.550 ( -2.789 -5.430 -1.254) 6.231 8.796 ( -1.611 -25.156 23.472) 34.443 9.301 ( 0.618 -14.261 -17.454) 22.547 9.654 ( 0.158 -7.331 -7.346) 10.379 10.006 ( -0.046 -7.211 1.443) 7.354 10.307 ( 0.939 7.001 -7.311) 10.166 10.490 ( -0.520 -0.366 -4.201) 4.249 11.512 ( 0.443 10.817 -1.956) 11.001 11.583 ( 0.306 5.617 -6.791) 8.818 12.790 ( -2.505 26.516 22.717) 35.006 13.264 ( -0.960 29.321 -17.778) 34.303 14.061 ( -1.731 30.716 21.249) 37.389 14.610 ( 1.584 27.768 -28.757) 40.007 17.605 ( 0.379 -15.519 3.801) 15.982 17.638 ( 3.486 -17.085 11.535) 20.907 17.829 ( 3.077 -22.708 -3.970) 23.257 18.063 ( -0.550 -16.187 0.374) 16.201 ======================= Grid point 653 (317/322) ======================= q-point: (-0.23 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.226 -0.000 3.569) 3.576 0.936 ( -0.092 -0.000 2.512) 2.514 1.076 ( -1.730 -0.000 20.988) 21.060 1.280 ( 0.605 0.000 0.199) 0.637 1.301 ( -0.496 -0.000 -0.949) 1.071 1.592 ( 2.616 0.000 -21.851) 22.007 2.009 ( 0.015 0.000 10.252) 10.252 2.141 ( -1.723 -0.000 5.810) 6.060 2.497 ( -1.389 -0.000 0.175) 1.400 2.686 ( -0.355 -0.000 3.079) 3.099 2.840 ( 1.750 0.000 -5.686) 5.949 2.856 ( -0.248 -0.000 -5.039) 5.045 3.226 ( -2.539 -0.000 39.039) 39.122 4.052 ( 2.027 0.000 -32.712) 32.774 4.528 ( 0.323 0.000 23.001) 23.003 4.930 ( 1.084 0.000 -12.346) 12.393 5.000 ( 1.824 0.000 7.752) 7.964 5.640 ( 4.780 0.000 -7.895) 9.229 6.197 ( -0.251 -0.000 4.172) 4.179 6.514 ( 0.098 0.000 -2.240) 2.242 8.435 ( -5.925 -0.000 33.200) 33.725 9.106 ( -0.011 -0.000 -27.405) 27.405 9.412 ( -1.678 -0.000 6.656) 6.865 9.759 ( -1.380 -0.000 -20.668) 20.714 10.682 ( -0.534 -0.000 3.441) 3.482 10.852 ( 0.441 0.000 -8.217) 8.229 12.085 ( -0.508 -0.000 9.130) 9.144 12.810 ( 0.990 0.000 -14.448) 14.482 13.524 ( -5.531 -0.000 34.351) 34.793 14.446 ( -4.888 -0.000 -37.445) 37.762 15.823 ( -1.008 -0.000 15.363) 15.396 16.201 ( 0.479 0.000 3.196) 3.231 16.313 ( 0.688 0.000 -10.790) 10.812 16.450 ( 11.443 0.000 3.434) 11.948 16.465 ( 11.145 0.000 2.855) 11.505 16.821 ( -2.003 -0.000 -0.779) 2.150 ======================= Grid point 654 (318/322) ======================= q-point: (-0.15 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.712 -9.252 7.898) 12.185 1.062 ( 0.198 -11.670 6.178) 13.205 1.126 ( -0.911 -9.076 12.466) 15.447 1.402 ( 0.507 -10.863 -0.949) 10.916 1.410 ( -0.464 -10.373 -0.449) 10.393 1.610 ( 2.197 -1.688 -21.925) 22.099 2.004 ( -0.002 0.619 9.052) 9.074 2.134 ( -1.674 0.066 5.598) 5.843 2.498 ( -1.260 -0.925 0.448) 1.626 2.640 ( -0.822 3.240 10.268) 10.799 2.816 ( 1.773 1.708 -6.432) 6.887 2.847 ( -0.456 0.561 -4.698) 4.754 3.156 ( -1.593 4.029 30.475) 30.781 3.923 ( 2.453 8.739 -33.468) 34.677 4.642 ( -0.482 -4.470 12.337) 13.131 4.914 ( 0.903 1.997 -11.838) 12.039 5.201 ( 1.872 -19.925 15.064) 25.049 5.861 ( 4.450 -19.268 -4.317) 20.241 6.419 ( -0.668 -20.231 5.727) 21.036 6.765 ( -0.452 -22.443 -3.997) 22.800 8.413 ( -5.043 0.331 33.996) 34.370 9.090 ( -0.325 0.447 -27.418) 27.423 9.441 ( -1.370 -3.370 4.223) 5.573 9.756 ( -0.966 -1.160 -18.068) 18.131 10.646 ( -0.270 3.476 2.323) 4.190 10.772 ( 0.219 7.921 -5.687) 9.754 11.892 ( -0.260 15.313 5.528) 16.282 12.507 ( 1.491 25.493 -12.311) 28.350 13.470 ( -5.247 5.822 32.527) 33.458 14.295 ( -3.694 13.678 -35.228) 37.971 15.302 ( -1.002 32.318 13.234) 34.937 15.827 ( 0.108 31.610 -10.835) 33.415 16.684 ( 3.541 -26.752 4.857) 27.419 16.758 ( 10.244 -21.345 5.430) 24.291 16.769 ( 5.022 -24.814 -1.489) 25.361 17.206 ( -1.371 -25.405 0.116) 25.442 ======================= Grid point 655 (319/322) ======================= q-point: (-0.08 -0.23 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.011 -7.146 18.900) 20.206 1.378 ( -0.366 -15.666 2.476) 15.865 1.426 ( -0.092 -16.552 1.726) 16.642 1.652 ( 0.131 -13.044 -2.311) 13.248 1.660 ( 0.167 -9.567 -8.729) 12.952 1.699 ( 1.226 -11.013 -10.839) 15.500 2.002 ( 0.073 -1.018 5.636) 5.727 2.139 ( -1.383 -1.496 4.782) 5.198 2.522 ( -1.485 -1.459 1.689) 2.680 2.651 ( -0.192 -5.061 8.465) 9.865 2.817 ( 0.927 -1.493 -5.714) 5.978 2.833 ( 0.263 0.191 -4.015) 4.028 3.137 ( -1.020 -3.260 21.894) 22.158 3.828 ( 2.319 -0.899 -31.214) 31.313 4.688 ( -0.408 -2.058 4.671) 5.121 4.876 ( 0.730 0.923 -9.053) 9.129 5.678 ( 1.216 -22.335 12.057) 25.411 6.344 ( 3.032 -24.777 3.953) 25.272 6.899 ( -1.404 -25.115 8.924) 26.690 7.258 ( -1.469 -22.790 -6.301) 23.691 8.455 ( -3.248 -7.779 33.814) 34.849 9.109 ( -0.078 -4.417 -25.804) 26.180 9.531 ( -0.695 -5.475 -2.184) 5.936 9.825 ( -0.147 -7.124 -9.792) 12.110 10.529 ( 0.334 10.939 -0.631) 10.962 10.572 ( -0.029 7.626 -2.757) 8.109 11.629 ( -0.011 8.808 -2.783) 9.237 11.972 ( 1.402 25.428 -7.421) 26.526 13.231 ( -4.018 17.035 29.442) 34.251 13.845 ( -1.529 27.748 -27.243) 38.917 14.674 ( -1.422 30.438 16.461) 34.633 15.190 ( 0.882 30.564 -19.769) 36.411 17.216 ( 1.620 -23.565 3.721) 23.912 17.252 ( 4.826 -22.617 6.628) 24.057 17.332 ( 4.395 -27.513 -1.553) 27.905 17.680 ( -0.812 -21.663 1.269) 21.715 ======================= Grid point 667 (320/322) ======================= q-point: (-0.15 -0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.225 -0.000 3.587) 3.595 0.937 ( -0.097 -0.000 2.534) 2.536 1.075 ( -1.323 -0.000 22.554) 22.593 1.285 ( 0.665 0.000 -0.111) 0.675 1.296 ( -0.558 -0.000 -0.673) 0.875 1.598 ( 1.703 0.000 -22.852) 22.915 2.014 ( -0.059 -0.000 9.964) 9.964 2.131 ( -1.557 -0.000 6.151) 6.345 2.487 ( -0.982 -0.000 0.210) 1.004 2.684 ( -0.470 -0.000 3.183) 3.218 2.841 ( -0.364 -0.000 -5.952) 5.963 2.861 ( 1.733 0.000 -4.804) 5.108 3.226 ( -2.517 -0.000 39.035) 39.116 4.051 ( 2.004 0.000 -32.714) 32.775 4.540 ( -0.226 -0.000 21.700) 21.701 4.934 ( 1.496 0.000 -13.261) 13.345 5.016 ( 1.133 0.000 9.643) 9.709 5.672 ( 4.095 0.000 -7.579) 8.614 6.197 ( -0.273 -0.000 4.176) 4.185 6.514 ( 0.113 0.000 -2.242) 2.245 8.409 ( -4.715 -0.000 33.429) 33.760 9.090 ( -0.387 -0.000 -28.179) 28.182 9.403 ( -1.600 -0.000 6.140) 6.345 9.739 ( -1.002 -0.000 -20.266) 20.291 10.681 ( -0.166 -0.000 3.601) 3.605 10.849 ( 0.002 0.000 -8.405) 8.405 12.085 ( -0.504 -0.000 9.137) 9.151 12.811 ( 0.975 0.000 -14.458) 14.491 13.499 ( -5.073 -0.000 33.883) 34.261 14.394 ( -3.465 -0.000 -36.809) 36.972 15.823 ( -0.996 -0.000 15.366) 15.398 16.204 ( 0.055 0.000 2.265) 2.266 16.313 ( 0.668 0.000 -10.793) 10.814 16.512 ( 6.227 0.000 -1.504) 6.406 16.571 ( 12.042 0.000 5.766) 13.351 16.808 ( -0.931 -0.000 0.506) 1.060 ======================= Grid point 668 (321/322) ======================= q-point: (-0.08 -0.15 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -0.555 -10.802 6.410) 12.573 1.068 ( 0.431 -10.688 7.424) 13.020 1.125 ( -0.918 -8.709 14.107) 16.605 1.403 ( -0.303 -10.236 -1.337) 10.328 1.409 ( 0.291 -10.924 -0.125) 10.929 1.613 ( 1.266 -1.741 -22.709) 22.811 2.008 ( -0.188 0.671 8.737) 8.765 2.125 ( -1.315 0.062 5.932) 6.076 2.491 ( -0.669 -0.874 0.359) 1.158 2.638 ( -1.048 3.151 10.398) 10.916 2.824 ( 0.766 1.277 -6.427) 6.597 2.845 ( 0.583 1.031 -4.540) 4.692 3.158 ( -1.827 3.918 30.592) 30.896 3.925 ( 2.316 8.595 -33.586) 34.746 4.644 ( -0.644 -4.127 11.741) 12.462 4.916 ( 1.179 2.147 -12.014) 12.261 5.220 ( 0.672 -20.090 15.409) 25.328 5.890 ( 3.284 -19.203 -3.849) 19.858 6.417 ( -0.631 -20.040 5.701) 20.845 6.760 ( -0.259 -22.041 -3.909) 22.387 8.395 ( -3.596 0.039 34.034) 34.224 9.072 ( -0.381 0.412 -27.935) 27.940 9.433 ( -1.281 -3.444 3.887) 5.349 9.742 ( -0.321 -1.503 -17.725) 17.791 10.646 ( 0.076 3.481 2.467) 4.267 10.769 ( -0.114 7.768 -5.837) 9.717 11.893 ( -0.347 15.369 5.613) 16.365 12.512 ( 1.337 25.221 -12.364) 28.120 13.447 ( -4.424 5.691 32.087) 32.887 14.255 ( -1.918 13.112 -34.549) 37.003 15.301 ( -0.923 32.399 13.357) 35.057 15.822 ( 0.141 31.572 -10.777) 33.361 16.700 ( 0.837 -28.116 2.833) 28.270 16.807 ( 4.240 -22.766 -0.265) 23.159 16.836 ( 8.015 -20.149 4.419) 22.131 17.198 ( -0.654 -25.489 0.524) 25.503 ======================= Grid point 681 (322/322) ======================= q-point: (-0.08 -0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -0.223 -0.000 3.584) 3.591 0.937 ( -0.116 -0.000 2.559) 2.562 1.078 ( -0.841 -0.000 23.843) 23.858 1.289 ( 0.143 0.000 -0.770) 0.783 1.292 ( -0.050 -0.000 -0.047) 0.069 1.595 ( 0.588 0.000 -23.460) 23.467 2.018 ( -0.358 -0.000 9.720) 9.726 2.123 ( -1.079 -0.000 6.489) 6.578 2.482 ( -0.189 -0.000 0.067) 0.201 2.681 ( -0.699 -0.000 3.398) 3.469 2.835 ( -0.380 -0.000 -5.626) 5.639 2.872 ( 1.536 0.000 -5.167) 5.390 3.226 ( -2.491 -0.000 39.039) 39.118 4.051 ( 2.003 0.000 -32.707) 32.768 4.546 ( -0.962 -0.000 20.795) 20.817 4.940 ( 1.789 0.000 -14.182) 14.295 5.026 ( -0.121 -0.000 11.298) 11.299 5.695 ( 2.519 0.000 -7.297) 7.720 6.197 ( -0.295 -0.000 4.193) 4.203 6.514 ( 0.136 0.000 -2.248) 2.252 8.396 ( -2.853 -0.000 33.485) 33.607 9.073 ( -0.218 -0.000 -28.585) 28.586 9.394 ( -1.291 -0.000 5.906) 6.046 9.724 ( -0.152 -0.000 -19.882) 19.882 10.683 ( 0.187 0.000 3.741) 3.746 10.844 ( -0.321 -0.000 -8.451) 8.457 12.086 ( -0.518 -0.000 9.132) 9.147 12.811 ( 0.948 0.000 -14.465) 14.496 13.480 ( -3.941 -0.000 33.651) 33.881 14.357 ( -1.033 -0.000 -36.340) 36.355 15.823 ( -0.981 -0.000 15.369) 15.400 16.206 ( 0.048 0.000 1.846) 1.847 16.313 ( 0.653 0.000 -10.786) 10.806 16.546 ( 2.104 0.000 -0.601) 2.188 16.647 ( 6.476 0.000 3.505) 7.364 16.810 ( 1.262 0.000 0.947) 1.578 =================== 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 3/42588 10.0 6.641 79.015 39.729 -0.000 -3.078 0.000 3/42588 20.0 2.680 56.286 27.634 -0.000 -1.867 0.000 3/42588 30.0 1.611 37.745 19.337 -0.000 -1.263 0.000 3/42588 40.0 1.154 28.749 15.038 -0.000 -0.972 0.000 3/42588 50.0 0.903 23.548 12.476 -0.000 -0.804 0.000 3/42588 60.0 0.744 20.182 10.793 -0.000 -0.695 0.000 3/42588 70.0 0.635 17.802 9.593 -0.000 -0.617 0.000 3/42588 80.0 0.555 16.001 8.682 -0.000 -0.559 0.000 3/42588 90.0 0.495 14.572 7.956 -0.000 -0.512 0.000 3/42588 100.0 0.448 13.399 7.359 -0.000 -0.473 0.000 3/42588 110.0 0.411 12.416 6.858 -0.000 -0.441 0.000 3/42588 120.0 0.380 11.577 6.428 -0.000 -0.413 0.000 3/42588 130.0 0.356 10.853 6.056 -0.000 -0.389 0.000 3/42588 140.0 0.335 10.220 5.729 -0.000 -0.367 0.000 3/42588 150.0 0.317 9.662 5.439 -0.000 -0.348 0.000 3/42588 160.0 0.302 9.165 5.179 -0.000 -0.331 0.000 3/42588 170.0 0.288 8.720 4.945 -0.000 -0.316 0.000 3/42588 180.0 0.277 8.318 4.732 -0.000 -0.302 0.000 3/42588 190.0 0.266 7.954 4.538 -0.000 -0.289 0.000 3/42588 200.0 0.256 7.621 4.359 -0.000 -0.278 0.000 3/42588 210.0 0.247 7.315 4.194 -0.000 -0.267 0.000 3/42588 220.0 0.239 7.034 4.041 -0.000 -0.257 0.000 3/42588 230.0 0.232 6.774 3.899 -0.000 -0.248 0.000 3/42588 240.0 0.225 6.532 3.766 -0.000 -0.239 0.000 3/42588 250.0 0.218 6.307 3.642 -0.000 -0.231 0.000 3/42588 260.0 0.212 6.097 3.526 -0.000 -0.223 0.000 3/42588 270.0 0.206 5.900 3.417 -0.000 -0.216 0.000 3/42588 280.0 0.200 5.716 3.314 -0.000 -0.210 0.000 3/42588 290.0 0.195 5.542 3.217 -0.000 -0.203 0.000 3/42588 300.0 0.190 5.379 3.125 -0.000 -0.197 0.000 3/42588 310.0 0.185 5.225 3.038 -0.000 -0.192 0.000 3/42588 320.0 0.181 5.079 2.956 -0.000 -0.187 0.000 3/42588 330.0 0.176 4.941 2.878 -0.000 -0.182 0.000 3/42588 340.0 0.172 4.810 2.803 -0.000 -0.177 0.000 3/42588 350.0 0.168 4.685 2.733 -0.000 -0.172 0.000 3/42588 360.0 0.165 4.567 2.665 -0.000 -0.168 0.000 3/42588 370.0 0.161 4.455 2.601 -0.000 -0.164 0.000 3/42588 380.0 0.157 4.347 2.540 -0.000 -0.160 0.000 3/42588 390.0 0.154 4.245 2.481 -0.000 -0.156 0.000 3/42588 400.0 0.151 4.147 2.425 -0.000 -0.153 0.000 3/42588 410.0 0.148 4.054 2.371 -0.000 -0.149 0.000 3/42588 420.0 0.145 3.964 2.320 -0.000 -0.146 0.000 3/42588 430.0 0.142 3.879 2.271 -0.000 -0.143 0.000 3/42588 440.0 0.139 3.796 2.223 -0.000 -0.140 0.000 3/42588 450.0 0.136 3.718 2.178 -0.000 -0.137 0.000 3/42588 460.0 0.134 3.642 2.134 -0.000 -0.134 0.000 3/42588 470.0 0.131 3.569 2.092 -0.000 -0.131 0.000 3/42588 480.0 0.129 3.499 2.052 -0.000 -0.129 0.000 3/42588 490.0 0.127 3.432 2.013 -0.000 -0.126 0.000 3/42588 500.0 0.124 3.367 1.975 -0.000 -0.124 0.000 3/42588 510.0 0.122 3.305 1.939 -0.000 -0.122 0.000 3/42588 520.0 0.120 3.244 1.904 -0.000 -0.120 0.000 3/42588 530.0 0.118 3.186 1.870 -0.000 -0.117 0.000 3/42588 540.0 0.116 3.130 1.838 -0.000 -0.115 0.000 3/42588 550.0 0.114 3.076 1.806 -0.000 -0.113 0.000 3/42588 560.0 0.112 3.024 1.776 -0.000 -0.111 0.000 3/42588 570.0 0.111 2.973 1.746 -0.000 -0.110 0.000 3/42588 580.0 0.109 2.924 1.718 -0.000 -0.108 0.000 3/42588 590.0 0.107 2.876 1.690 -0.000 -0.106 0.000 3/42588 600.0 0.106 2.830 1.663 -0.000 -0.104 0.000 3/42588 610.0 0.104 2.786 1.637 -0.000 -0.103 0.000 3/42588 620.0 0.102 2.743 1.612 -0.000 -0.101 0.000 3/42588 630.0 0.101 2.701 1.588 -0.000 -0.100 0.000 3/42588 640.0 0.099 2.660 1.564 -0.000 -0.098 0.000 3/42588 650.0 0.098 2.621 1.541 -0.000 -0.097 0.000 3/42588 660.0 0.097 2.582 1.519 -0.000 -0.095 0.000 3/42588 670.0 0.095 2.545 1.497 -0.000 -0.094 0.000 3/42588 680.0 0.094 2.509 1.476 -0.000 -0.092 0.000 3/42588 690.0 0.093 2.474 1.455 -0.000 -0.091 0.000 3/42588 700.0 0.092 2.439 1.435 -0.000 -0.090 0.000 3/42588 710.0 0.090 2.406 1.416 -0.000 -0.089 0.000 3/42588 720.0 0.089 2.374 1.397 -0.000 -0.087 0.000 3/42588 730.0 0.088 2.342 1.378 -0.000 -0.086 0.000 3/42588 740.0 0.087 2.311 1.360 -0.000 -0.085 0.000 3/42588 750.0 0.086 2.281 1.343 -0.000 -0.084 0.000 3/42588 760.0 0.085 2.252 1.325 -0.000 -0.083 0.000 3/42588 770.0 0.084 2.224 1.309 -0.000 -0.082 0.000 3/42588 780.0 0.083 2.196 1.293 -0.000 -0.081 0.000 3/42588 790.0 0.082 2.169 1.277 -0.000 -0.080 0.000 3/42588 800.0 0.081 2.142 1.261 -0.000 -0.079 0.000 3/42588 810.0 0.080 2.116 1.246 -0.000 -0.078 0.000 3/42588 820.0 0.079 2.091 1.231 -0.000 -0.077 0.000 3/42588 830.0 0.078 2.067 1.217 -0.000 -0.076 0.000 3/42588 840.0 0.077 2.043 1.203 -0.000 -0.075 0.000 3/42588 850.0 0.076 2.019 1.189 -0.000 -0.074 0.000 3/42588 860.0 0.075 1.996 1.175 -0.000 -0.074 0.000 3/42588 870.0 0.075 1.974 1.162 -0.000 -0.073 0.000 3/42588 880.0 0.074 1.952 1.149 -0.000 -0.072 0.000 3/42588 890.0 0.073 1.930 1.137 -0.000 -0.071 0.000 3/42588 900.0 0.072 1.909 1.124 -0.000 -0.070 0.000 3/42588 910.0 0.071 1.889 1.112 -0.000 -0.070 0.000 3/42588 920.0 0.071 1.868 1.101 -0.000 -0.069 0.000 3/42588 930.0 0.070 1.849 1.089 -0.000 -0.068 0.000 3/42588 940.0 0.069 1.829 1.078 -0.000 -0.067 0.000 3/42588 950.0 0.068 1.810 1.067 -0.000 -0.067 0.000 3/42588 960.0 0.068 1.792 1.056 -0.000 -0.066 0.000 3/42588 970.0 0.067 1.774 1.045 -0.000 -0.065 0.000 3/42588 980.0 0.066 1.756 1.035 -0.000 -0.065 0.000 3/42588 990.0 0.066 1.738 1.024 -0.000 -0.064 0.000 3/42588 1000.0 0.065 1.721 1.014 -0.000 -0.063 0.000 3/42588 Thermal conductivity related properties were written into "kappa-m13137.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:15:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|