----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:46:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.713740689545335 1.566778917619837 6.140800269999994 b -2.713740689545329 1.566778917619837 6.140800269999994 c 0.000000000000002 -3.133557835239678 6.140800269999994 Atomic positions (fractional): *1 O 0.83500007681891 0.44248286935013 0.03463606855460 15.999 2 O 0.16499992318109 0.55751713064988 0.96536393144540 15.999 3 O 0.44248286935013 0.03463606855460 0.83500007681891 15.999 4 O 0.55751713064987 0.96536393144540 0.16499992318109 15.999 5 O 0.03463606855460 0.83500007681892 0.44248286935013 15.999 6 O 0.96536393144540 0.16499992318109 0.55751713064987 15.999 *7 K 0.64071170887717 0.64071170887717 0.64071170887717 39.098 8 K 0.35928829112283 0.35928829112283 0.35928829112283 39.098 *9 Sb 0.16408479482297 0.16408479482297 0.16408479482297 121.760 10 Sb 0.83591520517703 0.83591520517703 0.83591520517703 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.427481379090665 0.000000000000000 0.000000000000000 b -2.713740689545332 4.700336752859514 0.000000000000000 c 0.000000000000000 0.000000000000000 18.422400809999999 Atomic positions (fractional): *1 O 0.06429373857770 0.73607026968662 0.77070633824121 15.999 > 1 2 O 0.26903959475563 0.93059639698005 0.89596032842545 15.999 > 2 3 O 0.67177653110891 0.93570626142230 0.77070633824121 15.999 > 3 4 O 0.66155680222442 0.73096040524437 0.89596032842545 15.999 > 4 5 O 0.26392973031339 0.32822346889109 0.77070633824121 15.999 > 5 6 O 0.06940360301995 0.33844319777558 0.89596032842545 15.999 > 6 7 O 0.73096040524437 0.06940360301995 0.10403967157455 15.999 > 1 8 O 0.93570626142230 0.26392973031339 0.22929366175879 15.999 > 2 9 O 0.33844319777558 0.26903959475563 0.10403967157455 15.999 > 3 10 O 0.32822346889109 0.06429373857770 0.22929366175879 15.999 > 4 11 O 0.93059639698005 0.66155680222442 0.10403967157455 15.999 > 5 12 O 0.73607026968662 0.67177653110891 0.22929366175879 15.999 > 6 13 O 0.39762707191103 0.40273693635328 0.43737300490788 15.999 > 1 14 O 0.60237292808897 0.59726306364672 0.56262699509212 15.999 > 2 15 O 0.00510986444225 0.60237292808897 0.43737300490788 15.999 > 3 16 O 0.99489013555775 0.39762707191103 0.56262699509212 15.999 > 4 17 O 0.59726306364672 0.99489013555775 0.43737300490788 15.999 > 5 18 O 0.40273693635328 0.00510986444225 0.56262699509212 15.999 > 6 *19 K 0.66666666666667 0.33333333333333 0.97404504221050 39.098 > 7 20 K 0.66666666666667 0.33333333333333 0.69262162445616 39.098 > 8 21 K 0.33333333333333 0.66666666666667 0.30737837554384 39.098 > 7 22 K 0.33333333333333 0.66666666666667 0.02595495778950 39.098 > 8 23 K 0.00000000000000 0.00000000000000 0.64071170887717 39.098 > 7 24 K 0.00000000000000 0.00000000000000 0.35928829112283 39.098 > 8 *25 Sb 0.33333333333333 0.66666666666667 0.83075146148964 121.760 > 9 26 Sb 0.00000000000000 0.00000000000000 0.83591520517703 121.760 > 10 27 Sb 0.00000000000000 0.00000000000000 0.16408479482297 121.760 > 9 28 Sb 0.66666666666667 0.33333333333333 0.16924853851036 121.760 > 10 29 Sb 0.66666666666667 0.33333333333333 0.49741812815630 121.760 > 9 30 Sb 0.33333333333333 0.66666666666667 0.50258187184370 121.760 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.854962758181330 0.000000000000000 0.000000000000000 b -5.427481379090664 9.400673505719029 0.000000000000000 c 0.000000000000000 0.000000000000000 18.422400809999999 Atomic positions (fractional): *1 O 0.03214686928885 0.36803513484331 0.77070633824121 15.999 > 1 2 O 0.53214686928885 0.36803513484331 0.77070633824121 15.999 > 1 3 O 0.03214686928885 0.86803513484331 0.77070633824121 15.999 > 1 4 O 0.53214686928885 0.86803513484331 0.77070633824121 15.999 > 1 5 O 0.13451979737782 0.46529819849003 0.89596032842545 15.999 > 2 6 O 0.63451979737782 0.46529819849003 0.89596032842545 15.999 > 2 7 O 0.13451979737782 0.96529819849003 0.89596032842545 15.999 > 2 8 O 0.63451979737782 0.96529819849003 0.89596032842545 15.999 > 2 9 O 0.33588826555446 0.46785313071115 0.77070633824121 15.999 > 3 10 O 0.83588826555446 0.46785313071115 0.77070633824121 15.999 > 3 11 O 0.33588826555446 0.96785313071115 0.77070633824121 15.999 > 3 12 O 0.83588826555446 0.96785313071115 0.77070633824121 15.999 > 3 13 O 0.33077840111221 0.36548020262218 0.89596032842545 15.999 > 4 14 O 0.83077840111221 0.36548020262218 0.89596032842545 15.999 > 4 15 O 0.33077840111221 0.86548020262218 0.89596032842545 15.999 > 4 16 O 0.83077840111221 0.86548020262218 0.89596032842545 15.999 > 4 17 O 0.13196486515669 0.16411173444554 0.77070633824121 15.999 > 5 18 O 0.63196486515669 0.16411173444554 0.77070633824121 15.999 > 5 19 O 0.13196486515669 0.66411173444554 0.77070633824121 15.999 > 5 20 O 0.63196486515669 0.66411173444554 0.77070633824121 15.999 > 5 21 O 0.03470180150997 0.16922159888779 0.89596032842545 15.999 > 6 22 O 0.53470180150997 0.16922159888779 0.89596032842545 15.999 > 6 23 O 0.03470180150997 0.66922159888779 0.89596032842545 15.999 > 6 24 O 0.53470180150997 0.66922159888779 0.89596032842545 15.999 > 6 25 O 0.36548020262218 0.03470180150997 0.10403967157455 15.999 > 1 26 O 0.86548020262218 0.03470180150997 0.10403967157455 15.999 > 1 27 O 0.36548020262218 0.53470180150997 0.10403967157455 15.999 > 1 28 O 0.86548020262218 0.53470180150997 0.10403967157455 15.999 > 1 29 O 0.46785313071115 0.13196486515669 0.22929366175879 15.999 > 2 30 O 0.96785313071115 0.13196486515669 0.22929366175879 15.999 > 2 31 O 0.46785313071115 0.63196486515669 0.22929366175879 15.999 > 2 32 O 0.96785313071115 0.63196486515669 0.22929366175879 15.999 > 2 33 O 0.16922159888779 0.13451979737782 0.10403967157455 15.999 > 3 34 O 0.66922159888779 0.13451979737782 0.10403967157455 15.999 > 3 35 O 0.16922159888779 0.63451979737782 0.10403967157455 15.999 > 3 36 O 0.66922159888779 0.63451979737782 0.10403967157455 15.999 > 3 37 O 0.16411173444554 0.03214686928885 0.22929366175879 15.999 > 4 38 O 0.66411173444554 0.03214686928885 0.22929366175879 15.999 > 4 39 O 0.16411173444554 0.53214686928885 0.22929366175879 15.999 > 4 40 O 0.66411173444554 0.53214686928885 0.22929366175879 15.999 > 4 41 O 0.46529819849003 0.33077840111221 0.10403967157455 15.999 > 5 42 O 0.96529819849003 0.33077840111221 0.10403967157455 15.999 > 5 43 O 0.46529819849003 0.83077840111221 0.10403967157455 15.999 > 5 44 O 0.96529819849003 0.83077840111221 0.10403967157455 15.999 > 5 45 O 0.36803513484331 0.33588826555446 0.22929366175879 15.999 > 6 46 O 0.86803513484331 0.33588826555446 0.22929366175879 15.999 > 6 47 O 0.36803513484331 0.83588826555446 0.22929366175879 15.999 > 6 48 O 0.86803513484331 0.83588826555446 0.22929366175879 15.999 > 6 49 O 0.19881353595552 0.20136846817664 0.43737300490788 15.999 > 1 50 O 0.69881353595552 0.20136846817664 0.43737300490788 15.999 > 1 51 O 0.19881353595552 0.70136846817664 0.43737300490788 15.999 > 1 52 O 0.69881353595552 0.70136846817664 0.43737300490788 15.999 > 1 53 O 0.30118646404448 0.29863153182336 0.56262699509212 15.999 > 2 54 O 0.80118646404448 0.29863153182336 0.56262699509212 15.999 > 2 55 O 0.30118646404448 0.79863153182336 0.56262699509212 15.999 > 2 56 O 0.80118646404448 0.79863153182336 0.56262699509212 15.999 > 2 57 O 0.00255493222112 0.30118646404448 0.43737300490788 15.999 > 3 58 O 0.50255493222112 0.30118646404448 0.43737300490788 15.999 > 3 59 O 0.00255493222112 0.80118646404448 0.43737300490788 15.999 > 3 60 O 0.50255493222112 0.80118646404448 0.43737300490788 15.999 > 3 61 O 0.49744506777888 0.19881353595552 0.56262699509212 15.999 > 4 62 O 0.99744506777888 0.19881353595552 0.56262699509212 15.999 > 4 63 O 0.49744506777888 0.69881353595552 0.56262699509212 15.999 > 4 64 O 0.99744506777888 0.69881353595552 0.56262699509212 15.999 > 4 65 O 0.29863153182336 0.49744506777888 0.43737300490788 15.999 > 5 66 O 0.79863153182336 0.49744506777888 0.43737300490788 15.999 > 5 67 O 0.29863153182336 0.99744506777888 0.43737300490788 15.999 > 5 68 O 0.79863153182336 0.99744506777888 0.43737300490788 15.999 > 5 69 O 0.20136846817664 0.00255493222112 0.56262699509212 15.999 > 6 70 O 0.70136846817664 0.00255493222112 0.56262699509212 15.999 > 6 71 O 0.20136846817664 0.50255493222112 0.56262699509212 15.999 > 6 72 O 0.70136846817664 0.50255493222112 0.56262699509212 15.999 > 6 *73 K 0.33333333333333 0.16666666666667 0.97404504221050 39.098 > 7 74 K 0.83333333333333 0.16666666666667 0.97404504221050 39.098 > 7 75 K 0.33333333333333 0.66666666666667 0.97404504221050 39.098 > 7 76 K 0.83333333333333 0.66666666666667 0.97404504221050 39.098 > 7 77 K 0.33333333333333 0.16666666666667 0.69262162445616 39.098 > 8 78 K 0.83333333333333 0.16666666666667 0.69262162445616 39.098 > 8 79 K 0.33333333333333 0.66666666666667 0.69262162445616 39.098 > 8 80 K 0.83333333333333 0.66666666666667 0.69262162445616 39.098 > 8 81 K 0.16666666666667 0.33333333333333 0.30737837554384 39.098 > 7 82 K 0.66666666666667 0.33333333333333 0.30737837554384 39.098 > 7 83 K 0.16666666666667 0.83333333333333 0.30737837554384 39.098 > 7 84 K 0.66666666666667 0.83333333333333 0.30737837554384 39.098 > 7 85 K 0.16666666666667 0.33333333333333 0.02595495778950 39.098 > 8 86 K 0.66666666666667 0.33333333333333 0.02595495778950 39.098 > 8 87 K 0.16666666666667 0.83333333333333 0.02595495778950 39.098 > 8 88 K 0.66666666666667 0.83333333333333 0.02595495778950 39.098 > 8 89 K 0.00000000000000 0.00000000000000 0.64071170887717 39.098 > 7 90 K 0.50000000000000 0.00000000000000 0.64071170887717 39.098 > 7 91 K 0.00000000000000 0.50000000000000 0.64071170887717 39.098 > 7 92 K 0.50000000000000 0.50000000000000 0.64071170887717 39.098 > 7 93 K 0.00000000000000 0.00000000000000 0.35928829112283 39.098 > 8 94 K 0.50000000000000 0.00000000000000 0.35928829112283 39.098 > 8 95 K 0.00000000000000 0.50000000000000 0.35928829112283 39.098 > 8 96 K 0.50000000000000 0.50000000000000 0.35928829112283 39.098 > 8 *97 Sb 0.16666666666667 0.33333333333333 0.83075146148964 121.760 > 9 98 Sb 0.66666666666667 0.33333333333333 0.83075146148964 121.760 > 9 99 Sb 0.16666666666667 0.83333333333333 0.83075146148964 121.760 > 9 100 Sb 0.66666666666667 0.83333333333333 0.83075146148964 121.760 > 9 101 Sb 0.00000000000000 0.00000000000000 0.83591520517703 121.760 > 10 102 Sb 0.50000000000000 0.00000000000000 0.83591520517703 121.760 > 10 103 Sb 0.00000000000000 0.50000000000000 0.83591520517703 121.760 > 10 104 Sb 0.50000000000000 0.50000000000000 0.83591520517703 121.760 > 10 105 Sb 0.00000000000000 0.00000000000000 0.16408479482297 121.760 > 9 106 Sb 0.50000000000000 0.00000000000000 0.16408479482297 121.760 > 9 107 Sb 0.00000000000000 0.50000000000000 0.16408479482297 121.760 > 9 108 Sb 0.50000000000000 0.50000000000000 0.16408479482297 121.760 > 9 109 Sb 0.33333333333333 0.16666666666667 0.16924853851036 121.760 > 10 110 Sb 0.83333333333333 0.16666666666667 0.16924853851036 121.760 > 10 111 Sb 0.33333333333333 0.66666666666667 0.16924853851036 121.760 > 10 112 Sb 0.83333333333333 0.66666666666667 0.16924853851036 121.760 > 10 113 Sb 0.33333333333333 0.16666666666667 0.49741812815630 121.760 > 9 114 Sb 0.83333333333333 0.16666666666667 0.49741812815630 121.760 > 9 115 Sb 0.33333333333333 0.66666666666667 0.49741812815630 121.760 > 9 116 Sb 0.83333333333333 0.66666666666667 0.49741812815630 121.760 > 9 117 Sb 0.16666666666667 0.33333333333333 0.50258187184370 121.760 > 10 118 Sb 0.66666666666667 0.33333333333333 0.50258187184370 121.760 > 10 119 Sb 0.16666666666667 0.83333333333333 0.50258187184370 121.760 > 10 120 Sb 0.66666666666667 0.83333333333333 0.50258187184370 121.760 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4468248 0.0000002 0.0000000 -0.0000002 3.4468248 0.0000000 0.0000000 0.0000000 2.7771346 -------------------------- Born effective charges -------------------------- 1 O -2.2664661 0.5101948 -0.1317373 0.5060747 -1.7158365 -0.1368587 -0.1680612 -0.1799274 -1.3640629 2 O -2.2664661 0.5101948 -0.1317373 0.5060747 -1.7158365 -0.1368587 -0.1680612 -0.1799274 -1.3640629 3 O -2.2935515 -0.4904369 -0.0526545 -0.4945570 -1.6887511 0.1825172 -0.0717911 0.2355089 -1.3640629 4 O -2.2935515 -0.4904369 -0.0526545 -0.4945570 -1.6887511 0.1825172 -0.0717911 0.2355089 -1.3640629 5 O -1.4134363 -0.0135777 0.1843918 -0.0176978 -2.5688663 -0.0456585 0.2398523 -0.0555815 -1.3640629 6 O -1.4134363 -0.0135777 0.1843918 -0.0176978 -2.5688663 -0.0456585 0.2398523 -0.0555815 -1.3640629 7 K 1.1234442 -0.0188115 0.0000000 0.0188115 1.1234442 -0.0000000 -0.0000000 -0.0000000 1.5228430 8 K 1.1234442 -0.0188115 0.0000000 0.0188115 1.1234442 -0.0000000 -0.0000000 -0.0000000 1.5228430 9 Sb 4.8500097 0.0126313 0.0000000 -0.0126313 4.8500097 -0.0000000 -0.0000000 -0.0000000 2.5693458 10 Sb 4.8500097 0.0126313 0.0000000 -0.0126313 4.8500097 -0.0000000 -0.0000000 -0.0000000 2.5693458 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 440 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 240 - Time: 0.253 Solver_block: 200 / 240 - Time: 0.272 Solver_block: 240 / 240 - Time: 0.139 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.686 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 7104/7104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 940 Number of blocks in projector: 440 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 384 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (940, 926), data: False |-- (124, 121), data: True |-- (384, 380), data: True |-- (432, 425), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 10:46:43]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:46:43]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.713740689545335 1.566778917619837 6.140800269999994 b -2.713740689545329 1.566778917619837 6.140800269999994 c 0.000000000000002 -3.133557835239678 6.140800269999994 Atomic positions (fractional): 1 O 0.83500007681891 0.44248286935013 0.03463606855460 15.999 2 O 0.16499992318109 0.55751713064988 0.96536393144540 15.999 3 O 0.44248286935013 0.03463606855460 0.83500007681891 15.999 4 O 0.55751713064987 0.96536393144540 0.16499992318109 15.999 5 O 0.03463606855460 0.83500007681892 0.44248286935013 15.999 6 O 0.96536393144540 0.16499992318109 0.55751713064987 15.999 7 K 0.64071170887717 0.64071170887717 0.64071170887717 39.098 8 K 0.35928829112283 0.35928829112283 0.35928829112283 39.098 9 Sb 0.16408479482297 0.16408479482297 0.16408479482297 121.760 10 Sb 0.83591520517703 0.83591520517703 0.83591520517703 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.854962758181330 0.000000000000000 0.000000000000000 b -5.427481379090664 9.400673505719029 0.000000000000000 c 0.000000000000000 0.000000000000000 18.422400809999999 Atomic positions (fractional): 1 O 0.03214686928885 0.36803513484331 0.77070633824121 15.999 > 1 2 O 0.53214686928885 0.36803513484331 0.77070633824121 15.999 > 1 3 O 0.03214686928885 0.86803513484331 0.77070633824121 15.999 > 1 4 O 0.53214686928885 0.86803513484331 0.77070633824121 15.999 > 1 5 O 0.13451979737782 0.46529819849003 0.89596032842545 15.999 > 5 6 O 0.63451979737782 0.46529819849003 0.89596032842545 15.999 > 5 7 O 0.13451979737782 0.96529819849003 0.89596032842545 15.999 > 5 8 O 0.63451979737782 0.96529819849003 0.89596032842545 15.999 > 5 9 O 0.33588826555446 0.46785313071115 0.77070633824121 15.999 > 9 10 O 0.83588826555446 0.46785313071115 0.77070633824121 15.999 > 9 11 O 0.33588826555446 0.96785313071115 0.77070633824121 15.999 > 9 12 O 0.83588826555446 0.96785313071115 0.77070633824121 15.999 > 9 13 O 0.33077840111221 0.36548020262218 0.89596032842545 15.999 > 13 14 O 0.83077840111221 0.36548020262218 0.89596032842545 15.999 > 13 15 O 0.33077840111221 0.86548020262218 0.89596032842545 15.999 > 13 16 O 0.83077840111221 0.86548020262218 0.89596032842545 15.999 > 13 17 O 0.13196486515669 0.16411173444554 0.77070633824121 15.999 > 17 18 O 0.63196486515669 0.16411173444554 0.77070633824121 15.999 > 17 19 O 0.13196486515669 0.66411173444554 0.77070633824121 15.999 > 17 20 O 0.63196486515669 0.66411173444554 0.77070633824121 15.999 > 17 21 O 0.03470180150997 0.16922159888779 0.89596032842545 15.999 > 21 22 O 0.53470180150997 0.16922159888779 0.89596032842545 15.999 > 21 23 O 0.03470180150997 0.66922159888779 0.89596032842545 15.999 > 21 24 O 0.53470180150997 0.66922159888779 0.89596032842545 15.999 > 21 25 O 0.36548020262218 0.03470180150997 0.10403967157455 15.999 > 1 26 O 0.86548020262218 0.03470180150997 0.10403967157455 15.999 > 1 27 O 0.36548020262218 0.53470180150997 0.10403967157455 15.999 > 1 28 O 0.86548020262218 0.53470180150997 0.10403967157455 15.999 > 1 29 O 0.46785313071115 0.13196486515669 0.22929366175879 15.999 > 5 30 O 0.96785313071115 0.13196486515669 0.22929366175879 15.999 > 5 31 O 0.46785313071115 0.63196486515669 0.22929366175879 15.999 > 5 32 O 0.96785313071115 0.63196486515669 0.22929366175879 15.999 > 5 33 O 0.16922159888779 0.13451979737782 0.10403967157455 15.999 > 9 34 O 0.66922159888779 0.13451979737782 0.10403967157455 15.999 > 9 35 O 0.16922159888779 0.63451979737782 0.10403967157455 15.999 > 9 36 O 0.66922159888779 0.63451979737782 0.10403967157455 15.999 > 9 37 O 0.16411173444554 0.03214686928885 0.22929366175879 15.999 > 13 38 O 0.66411173444554 0.03214686928885 0.22929366175879 15.999 > 13 39 O 0.16411173444554 0.53214686928885 0.22929366175879 15.999 > 13 40 O 0.66411173444554 0.53214686928885 0.22929366175879 15.999 > 13 41 O 0.46529819849003 0.33077840111221 0.10403967157455 15.999 > 17 42 O 0.96529819849003 0.33077840111221 0.10403967157455 15.999 > 17 43 O 0.46529819849003 0.83077840111221 0.10403967157455 15.999 > 17 44 O 0.96529819849003 0.83077840111221 0.10403967157455 15.999 > 17 45 O 0.36803513484331 0.33588826555446 0.22929366175879 15.999 > 21 46 O 0.86803513484331 0.33588826555446 0.22929366175879 15.999 > 21 47 O 0.36803513484331 0.83588826555446 0.22929366175879 15.999 > 21 48 O 0.86803513484331 0.83588826555446 0.22929366175879 15.999 > 21 49 O 0.19881353595552 0.20136846817664 0.43737300490788 15.999 > 1 50 O 0.69881353595552 0.20136846817664 0.43737300490788 15.999 > 1 51 O 0.19881353595552 0.70136846817664 0.43737300490788 15.999 > 1 52 O 0.69881353595552 0.70136846817664 0.43737300490788 15.999 > 1 53 O 0.30118646404448 0.29863153182336 0.56262699509212 15.999 > 5 54 O 0.80118646404448 0.29863153182336 0.56262699509212 15.999 > 5 55 O 0.30118646404448 0.79863153182336 0.56262699509212 15.999 > 5 56 O 0.80118646404448 0.79863153182336 0.56262699509212 15.999 > 5 57 O 0.00255493222112 0.30118646404448 0.43737300490788 15.999 > 9 58 O 0.50255493222112 0.30118646404448 0.43737300490788 15.999 > 9 59 O 0.00255493222112 0.80118646404448 0.43737300490788 15.999 > 9 60 O 0.50255493222112 0.80118646404448 0.43737300490788 15.999 > 9 61 O 0.49744506777888 0.19881353595552 0.56262699509212 15.999 > 13 62 O 0.99744506777888 0.19881353595552 0.56262699509212 15.999 > 13 63 O 0.49744506777888 0.69881353595552 0.56262699509212 15.999 > 13 64 O 0.99744506777888 0.69881353595552 0.56262699509212 15.999 > 13 65 O 0.29863153182336 0.49744506777888 0.43737300490788 15.999 > 17 66 O 0.79863153182336 0.49744506777888 0.43737300490788 15.999 > 17 67 O 0.29863153182336 0.99744506777888 0.43737300490788 15.999 > 17 68 O 0.79863153182336 0.99744506777888 0.43737300490788 15.999 > 17 69 O 0.20136846817664 0.00255493222112 0.56262699509212 15.999 > 21 70 O 0.70136846817664 0.00255493222112 0.56262699509212 15.999 > 21 71 O 0.20136846817664 0.50255493222112 0.56262699509212 15.999 > 21 72 O 0.70136846817664 0.50255493222112 0.56262699509212 15.999 > 21 73 K 0.33333333333333 0.16666666666667 0.97404504221050 39.098 > 73 74 K 0.83333333333333 0.16666666666667 0.97404504221050 39.098 > 73 75 K 0.33333333333333 0.66666666666667 0.97404504221050 39.098 > 73 76 K 0.83333333333333 0.66666666666667 0.97404504221050 39.098 > 73 77 K 0.33333333333333 0.16666666666667 0.69262162445616 39.098 > 77 78 K 0.83333333333333 0.16666666666667 0.69262162445616 39.098 > 77 79 K 0.33333333333333 0.66666666666667 0.69262162445616 39.098 > 77 80 K 0.83333333333333 0.66666666666667 0.69262162445616 39.098 > 77 81 K 0.16666666666667 0.33333333333333 0.30737837554384 39.098 > 73 82 K 0.66666666666667 0.33333333333333 0.30737837554384 39.098 > 73 83 K 0.16666666666667 0.83333333333333 0.30737837554384 39.098 > 73 84 K 0.66666666666667 0.83333333333333 0.30737837554384 39.098 > 73 85 K 0.16666666666667 0.33333333333333 0.02595495778950 39.098 > 77 86 K 0.66666666666667 0.33333333333333 0.02595495778950 39.098 > 77 87 K 0.16666666666667 0.83333333333333 0.02595495778950 39.098 > 77 88 K 0.66666666666667 0.83333333333333 0.02595495778950 39.098 > 77 89 K 0.00000000000000 0.00000000000000 0.64071170887717 39.098 > 73 90 K 0.50000000000000 0.00000000000000 0.64071170887717 39.098 > 73 91 K 0.00000000000000 0.50000000000000 0.64071170887717 39.098 > 73 92 K 0.50000000000000 0.50000000000000 0.64071170887717 39.098 > 73 93 K 0.00000000000000 0.00000000000000 0.35928829112283 39.098 > 77 94 K 0.50000000000000 0.00000000000000 0.35928829112283 39.098 > 77 95 K 0.00000000000000 0.50000000000000 0.35928829112283 39.098 > 77 96 K 0.50000000000000 0.50000000000000 0.35928829112283 39.098 > 77 97 Sb 0.16666666666667 0.33333333333333 0.83075146148964 121.760 > 97 98 Sb 0.66666666666667 0.33333333333333 0.83075146148964 121.760 > 97 99 Sb 0.16666666666667 0.83333333333333 0.83075146148964 121.760 > 97 100 Sb 0.66666666666667 0.83333333333333 0.83075146148964 121.760 > 97 101 Sb 0.00000000000000 0.00000000000000 0.83591520517703 121.760 > 101 102 Sb 0.50000000000000 0.00000000000000 0.83591520517703 121.760 > 101 103 Sb 0.00000000000000 0.50000000000000 0.83591520517703 121.760 > 101 104 Sb 0.50000000000000 0.50000000000000 0.83591520517703 121.760 > 101 105 Sb 0.00000000000000 0.00000000000000 0.16408479482297 121.760 > 97 106 Sb 0.50000000000000 0.00000000000000 0.16408479482297 121.760 > 97 107 Sb 0.00000000000000 0.50000000000000 0.16408479482297 121.760 > 97 108 Sb 0.50000000000000 0.50000000000000 0.16408479482297 121.760 > 97 109 Sb 0.33333333333333 0.16666666666667 0.16924853851036 121.760 > 101 110 Sb 0.83333333333333 0.16666666666667 0.16924853851036 121.760 > 101 111 Sb 0.33333333333333 0.66666666666667 0.16924853851036 121.760 > 101 112 Sb 0.83333333333333 0.66666666666667 0.16924853851036 121.760 > 101 113 Sb 0.33333333333333 0.16666666666667 0.49741812815630 121.760 > 97 114 Sb 0.83333333333333 0.16666666666667 0.49741812815630 121.760 > 97 115 Sb 0.33333333333333 0.66666666666667 0.49741812815630 121.760 > 97 116 Sb 0.83333333333333 0.66666666666667 0.49741812815630 121.760 > 97 117 Sb 0.16666666666667 0.33333333333333 0.50258187184370 121.760 > 101 118 Sb 0.66666666666667 0.33333333333333 0.50258187184370 121.760 > 101 119 Sb 0.16666666666667 0.83333333333333 0.50258187184370 121.760 > 101 120 Sb 0.66666666666667 0.83333333333333 0.50258187184370 121.760 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4468248 0.0000002 0.0000000 -0.0000002 3.4468248 0.0000000 0.0000000 0.0000000 2.7771346 -------------------------- Born effective charges -------------------------- 1 O -2.2664661 0.5101948 -0.1317373 0.5060747 -1.7158365 -0.1368587 -0.1680612 -0.1799274 -1.3640629 2 O -2.2664661 0.5101948 -0.1317373 0.5060747 -1.7158365 -0.1368587 -0.1680612 -0.1799274 -1.3640629 3 O -2.2935515 -0.4904369 -0.0526545 -0.4945570 -1.6887511 0.1825172 -0.0717911 0.2355089 -1.3640629 4 O -2.2935515 -0.4904369 -0.0526545 -0.4945570 -1.6887511 0.1825172 -0.0717911 0.2355089 -1.3640629 5 O -1.4134363 -0.0135777 0.1843918 -0.0176978 -2.5688663 -0.0456585 0.2398523 -0.0555815 -1.3640629 6 O -1.4134363 -0.0135777 0.1843918 -0.0176978 -2.5688663 -0.0456585 0.2398523 -0.0555815 -1.3640629 7 K 1.1234442 -0.0188115 0.0000000 0.0188115 1.1234442 -0.0000000 -0.0000000 -0.0000000 1.5228430 8 K 1.1234442 -0.0188115 0.0000000 0.0188115 1.1234442 -0.0000000 -0.0000000 -0.0000000 1.5228430 9 Sb 4.8500097 0.0126313 0.0000000 -0.0126313 4.8500097 -0.0000000 -0.0000000 -0.0000000 2.5693458 10 Sb 4.8500097 0.0126313 0.0000000 -0.0126313 4.8500097 -0.0000000 -0.0000000 -0.0000000 2.5693458 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (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 10:46:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:46:52]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3 (148) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.713740689545335 1.566778917619837 6.140800269999994 b -2.713740689545329 1.566778917619837 6.140800269999994 c 0.000000000000002 -3.133557835239678 6.140800269999994 Atomic positions (fractional): 1 O 0.83500007681891 0.44248286935013 0.03463606855460 15.999 2 O 0.16499992318109 0.55751713064988 0.96536393144540 15.999 3 O 0.44248286935013 0.03463606855460 0.83500007681891 15.999 4 O 0.55751713064987 0.96536393144540 0.16499992318109 15.999 5 O 0.03463606855460 0.83500007681892 0.44248286935013 15.999 6 O 0.96536393144540 0.16499992318109 0.55751713064987 15.999 7 K 0.64071170887717 0.64071170887717 0.64071170887717 39.098 8 K 0.35928829112283 0.35928829112283 0.35928829112283 39.098 9 Sb 0.16408479482297 0.16408479482297 0.16408479482297 121.760 10 Sb 0.83591520517703 0.83591520517703 0.83591520517703 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.854962758181330 0.000000000000000 0.000000000000000 b -5.427481379090664 9.400673505719029 0.000000000000000 c 0.000000000000000 0.000000000000000 18.422400809999999 Atomic positions (fractional): 1 O 0.03214686928885 0.36803513484331 0.77070633824121 15.999 > 1 2 O 0.53214686928885 0.36803513484331 0.77070633824121 15.999 > 1 3 O 0.03214686928885 0.86803513484331 0.77070633824121 15.999 > 1 4 O 0.53214686928885 0.86803513484331 0.77070633824121 15.999 > 1 5 O 0.13451979737782 0.46529819849003 0.89596032842545 15.999 > 5 6 O 0.63451979737782 0.46529819849003 0.89596032842545 15.999 > 5 7 O 0.13451979737782 0.96529819849003 0.89596032842545 15.999 > 5 8 O 0.63451979737782 0.96529819849003 0.89596032842545 15.999 > 5 9 O 0.33588826555446 0.46785313071115 0.77070633824121 15.999 > 9 10 O 0.83588826555446 0.46785313071115 0.77070633824121 15.999 > 9 11 O 0.33588826555446 0.96785313071115 0.77070633824121 15.999 > 9 12 O 0.83588826555446 0.96785313071115 0.77070633824121 15.999 > 9 13 O 0.33077840111221 0.36548020262218 0.89596032842545 15.999 > 13 14 O 0.83077840111221 0.36548020262218 0.89596032842545 15.999 > 13 15 O 0.33077840111221 0.86548020262218 0.89596032842545 15.999 > 13 16 O 0.83077840111221 0.86548020262218 0.89596032842545 15.999 > 13 17 O 0.13196486515669 0.16411173444554 0.77070633824121 15.999 > 17 18 O 0.63196486515669 0.16411173444554 0.77070633824121 15.999 > 17 19 O 0.13196486515669 0.66411173444554 0.77070633824121 15.999 > 17 20 O 0.63196486515669 0.66411173444554 0.77070633824121 15.999 > 17 21 O 0.03470180150997 0.16922159888779 0.89596032842545 15.999 > 21 22 O 0.53470180150997 0.16922159888779 0.89596032842545 15.999 > 21 23 O 0.03470180150997 0.66922159888779 0.89596032842545 15.999 > 21 24 O 0.53470180150997 0.66922159888779 0.89596032842545 15.999 > 21 25 O 0.36548020262218 0.03470180150997 0.10403967157455 15.999 > 1 26 O 0.86548020262218 0.03470180150997 0.10403967157455 15.999 > 1 27 O 0.36548020262218 0.53470180150997 0.10403967157455 15.999 > 1 28 O 0.86548020262218 0.53470180150997 0.10403967157455 15.999 > 1 29 O 0.46785313071115 0.13196486515669 0.22929366175879 15.999 > 5 30 O 0.96785313071115 0.13196486515669 0.22929366175879 15.999 > 5 31 O 0.46785313071115 0.63196486515669 0.22929366175879 15.999 > 5 32 O 0.96785313071115 0.63196486515669 0.22929366175879 15.999 > 5 33 O 0.16922159888779 0.13451979737782 0.10403967157455 15.999 > 9 34 O 0.66922159888779 0.13451979737782 0.10403967157455 15.999 > 9 35 O 0.16922159888779 0.63451979737782 0.10403967157455 15.999 > 9 36 O 0.66922159888779 0.63451979737782 0.10403967157455 15.999 > 9 37 O 0.16411173444554 0.03214686928885 0.22929366175879 15.999 > 13 38 O 0.66411173444554 0.03214686928885 0.22929366175879 15.999 > 13 39 O 0.16411173444554 0.53214686928885 0.22929366175879 15.999 > 13 40 O 0.66411173444554 0.53214686928885 0.22929366175879 15.999 > 13 41 O 0.46529819849003 0.33077840111221 0.10403967157455 15.999 > 17 42 O 0.96529819849003 0.33077840111221 0.10403967157455 15.999 > 17 43 O 0.46529819849003 0.83077840111221 0.10403967157455 15.999 > 17 44 O 0.96529819849003 0.83077840111221 0.10403967157455 15.999 > 17 45 O 0.36803513484331 0.33588826555446 0.22929366175879 15.999 > 21 46 O 0.86803513484331 0.33588826555446 0.22929366175879 15.999 > 21 47 O 0.36803513484331 0.83588826555446 0.22929366175879 15.999 > 21 48 O 0.86803513484331 0.83588826555446 0.22929366175879 15.999 > 21 49 O 0.19881353595552 0.20136846817664 0.43737300490788 15.999 > 1 50 O 0.69881353595552 0.20136846817664 0.43737300490788 15.999 > 1 51 O 0.19881353595552 0.70136846817664 0.43737300490788 15.999 > 1 52 O 0.69881353595552 0.70136846817664 0.43737300490788 15.999 > 1 53 O 0.30118646404448 0.29863153182336 0.56262699509212 15.999 > 5 54 O 0.80118646404448 0.29863153182336 0.56262699509212 15.999 > 5 55 O 0.30118646404448 0.79863153182336 0.56262699509212 15.999 > 5 56 O 0.80118646404448 0.79863153182336 0.56262699509212 15.999 > 5 57 O 0.00255493222112 0.30118646404448 0.43737300490788 15.999 > 9 58 O 0.50255493222112 0.30118646404448 0.43737300490788 15.999 > 9 59 O 0.00255493222112 0.80118646404448 0.43737300490788 15.999 > 9 60 O 0.50255493222112 0.80118646404448 0.43737300490788 15.999 > 9 61 O 0.49744506777888 0.19881353595552 0.56262699509212 15.999 > 13 62 O 0.99744506777888 0.19881353595552 0.56262699509212 15.999 > 13 63 O 0.49744506777888 0.69881353595552 0.56262699509212 15.999 > 13 64 O 0.99744506777888 0.69881353595552 0.56262699509212 15.999 > 13 65 O 0.29863153182336 0.49744506777888 0.43737300490788 15.999 > 17 66 O 0.79863153182336 0.49744506777888 0.43737300490788 15.999 > 17 67 O 0.29863153182336 0.99744506777888 0.43737300490788 15.999 > 17 68 O 0.79863153182336 0.99744506777888 0.43737300490788 15.999 > 17 69 O 0.20136846817664 0.00255493222112 0.56262699509212 15.999 > 21 70 O 0.70136846817664 0.00255493222112 0.56262699509212 15.999 > 21 71 O 0.20136846817664 0.50255493222112 0.56262699509212 15.999 > 21 72 O 0.70136846817664 0.50255493222112 0.56262699509212 15.999 > 21 73 K 0.33333333333333 0.16666666666667 0.97404504221050 39.098 > 73 74 K 0.83333333333333 0.16666666666667 0.97404504221050 39.098 > 73 75 K 0.33333333333333 0.66666666666667 0.97404504221050 39.098 > 73 76 K 0.83333333333333 0.66666666666667 0.97404504221050 39.098 > 73 77 K 0.33333333333333 0.16666666666667 0.69262162445616 39.098 > 77 78 K 0.83333333333333 0.16666666666667 0.69262162445616 39.098 > 77 79 K 0.33333333333333 0.66666666666667 0.69262162445616 39.098 > 77 80 K 0.83333333333333 0.66666666666667 0.69262162445616 39.098 > 77 81 K 0.16666666666667 0.33333333333333 0.30737837554384 39.098 > 73 82 K 0.66666666666667 0.33333333333333 0.30737837554384 39.098 > 73 83 K 0.16666666666667 0.83333333333333 0.30737837554384 39.098 > 73 84 K 0.66666666666667 0.83333333333333 0.30737837554384 39.098 > 73 85 K 0.16666666666667 0.33333333333333 0.02595495778950 39.098 > 77 86 K 0.66666666666667 0.33333333333333 0.02595495778950 39.098 > 77 87 K 0.16666666666667 0.83333333333333 0.02595495778950 39.098 > 77 88 K 0.66666666666667 0.83333333333333 0.02595495778950 39.098 > 77 89 K 0.00000000000000 0.00000000000000 0.64071170887717 39.098 > 73 90 K 0.50000000000000 0.00000000000000 0.64071170887717 39.098 > 73 91 K 0.00000000000000 0.50000000000000 0.64071170887717 39.098 > 73 92 K 0.50000000000000 0.50000000000000 0.64071170887717 39.098 > 73 93 K 0.00000000000000 0.00000000000000 0.35928829112283 39.098 > 77 94 K 0.50000000000000 0.00000000000000 0.35928829112283 39.098 > 77 95 K 0.00000000000000 0.50000000000000 0.35928829112283 39.098 > 77 96 K 0.50000000000000 0.50000000000000 0.35928829112283 39.098 > 77 97 Sb 0.16666666666667 0.33333333333333 0.83075146148964 121.760 > 97 98 Sb 0.66666666666667 0.33333333333333 0.83075146148964 121.760 > 97 99 Sb 0.16666666666667 0.83333333333333 0.83075146148964 121.760 > 97 100 Sb 0.66666666666667 0.83333333333333 0.83075146148964 121.760 > 97 101 Sb 0.00000000000000 0.00000000000000 0.83591520517703 121.760 > 101 102 Sb 0.50000000000000 0.00000000000000 0.83591520517703 121.760 > 101 103 Sb 0.00000000000000 0.50000000000000 0.83591520517703 121.760 > 101 104 Sb 0.50000000000000 0.50000000000000 0.83591520517703 121.760 > 101 105 Sb 0.00000000000000 0.00000000000000 0.16408479482297 121.760 > 97 106 Sb 0.50000000000000 0.00000000000000 0.16408479482297 121.760 > 97 107 Sb 0.00000000000000 0.50000000000000 0.16408479482297 121.760 > 97 108 Sb 0.50000000000000 0.50000000000000 0.16408479482297 121.760 > 97 109 Sb 0.33333333333333 0.16666666666667 0.16924853851036 121.760 > 101 110 Sb 0.83333333333333 0.16666666666667 0.16924853851036 121.760 > 101 111 Sb 0.33333333333333 0.66666666666667 0.16924853851036 121.760 > 101 112 Sb 0.83333333333333 0.66666666666667 0.16924853851036 121.760 > 101 113 Sb 0.33333333333333 0.16666666666667 0.49741812815630 121.760 > 97 114 Sb 0.83333333333333 0.16666666666667 0.49741812815630 121.760 > 97 115 Sb 0.33333333333333 0.66666666666667 0.49741812815630 121.760 > 97 116 Sb 0.83333333333333 0.66666666666667 0.49741812815630 121.760 > 97 117 Sb 0.16666666666667 0.33333333333333 0.50258187184370 121.760 > 101 118 Sb 0.66666666666667 0.33333333333333 0.50258187184370 121.760 > 101 119 Sb 0.16666666666667 0.83333333333333 0.50258187184370 121.760 > 101 120 Sb 0.66666666666667 0.83333333333333 0.50258187184370 121.760 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4468248 0.0000002 0.0000000 -0.0000002 3.4468248 0.0000000 0.0000000 0.0000000 2.7771346 -------------------------- Born effective charges -------------------------- 1 O -2.2664661 0.5101948 -0.1317373 0.5060747 -1.7158365 -0.1368587 -0.1680612 -0.1799274 -1.3640629 2 O -2.2664661 0.5101948 -0.1317373 0.5060747 -1.7158365 -0.1368587 -0.1680612 -0.1799274 -1.3640629 3 O -2.2935515 -0.4904369 -0.0526545 -0.4945570 -1.6887511 0.1825172 -0.0717911 0.2355089 -1.3640629 4 O -2.2935515 -0.4904369 -0.0526545 -0.4945570 -1.6887511 0.1825172 -0.0717911 0.2355089 -1.3640629 5 O -1.4134363 -0.0135777 0.1843918 -0.0176978 -2.5688663 -0.0456585 0.2398523 -0.0555815 -1.3640629 6 O -1.4134363 -0.0135777 0.1843918 -0.0176978 -2.5688663 -0.0456585 0.2398523 -0.0555815 -1.3640629 7 K 1.1234442 -0.0188115 0.0000000 0.0188115 1.1234442 -0.0000000 -0.0000000 -0.0000000 1.5228430 8 K 1.1234442 -0.0188115 0.0000000 0.0188115 1.1234442 -0.0000000 -0.0000000 -0.0000000 1.5228430 9 Sb 4.8500097 0.0126313 0.0000000 -0.0126313 4.8500097 -0.0000000 -0.0000000 -0.0000000 2.5693458 10 Sb 4.8500097 0.0126313 0.0000000 -0.0126313 4.8500097 -0.0000000 -0.0000000 -0.0000000 2.5693458 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 11 ] 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: 0.77, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/226) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 3.973 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 7.222 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 8.751 ( 0.000 0.000 0.000) 0.000 8.751 ( 0.000 0.000 0.000) 0.000 8.964 ( 0.000 0.000 0.000) 0.000 8.964 ( 0.000 0.000 0.000) 0.000 14.107 ( 0.000 0.000 0.000) 0.000 14.107 ( 0.000 0.000 0.000) 0.000 14.633 ( 0.000 0.000 0.000) 0.000 14.633 ( 0.000 0.000 0.000) 0.000 15.813 ( 0.000 0.000 0.000) 0.000 15.813 ( 0.000 0.000 0.000) 0.000 17.286 ( 0.000 0.000 0.000) 0.000 17.498 ( 0.000 0.000 0.000) 0.000 18.990 ( 0.000 0.000 0.000) 0.000 19.016 ( 0.000 0.000 0.000) 0.000 19.016 ( 0.000 0.000 0.000) 0.000 19.099 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/226) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( 15.765 9.842 16.308) 24.725 0.518 ( 28.713 3.328 -0.711) 28.914 1.240 ( 51.193 34.702 6.352) 62.172 3.750 ( -16.003 -7.862 -6.672) 19.038 3.898 ( -9.040 -3.941 0.695) 9.886 4.360 ( 6.449 1.474 -5.489) 8.596 4.452 ( -5.427 -2.634 15.500) 16.632 4.742 ( -1.354 2.556 -0.727) 2.982 4.799 ( 5.213 -0.273 6.239) 8.135 4.928 ( 1.265 0.263 -1.577) 2.039 6.037 ( 1.646 1.295 -0.328) 2.120 6.064 ( 3.720 1.276 2.186) 4.500 7.201 ( -1.908 -1.054 0.005) 2.180 7.903 ( -1.911 -1.182 -0.650) 2.339 8.657 ( -5.103 -4.591 -0.587) 6.889 8.836 ( -12.003 -4.522 0.567) 12.839 9.101 ( 9.741 5.418 -0.431) 11.155 9.945 ( 6.620 4.253 -11.584) 14.004 14.100 ( -0.921 0.291 -0.427) 1.056 14.197 ( 8.046 3.504 0.668) 8.801 14.671 ( 3.599 2.008 -0.681) 4.177 15.340 ( 2.753 1.450 -4.349) 5.348 15.816 ( 0.295 -0.061 0.400) 0.501 17.142 ( 3.921 2.491 -34.167) 34.482 17.470 ( -2.579 -1.497 0.613) 3.044 18.966 ( 3.104 -2.300 -14.217) 14.733 18.985 ( -1.053 -1.108 0.859) 1.753 19.024 ( 0.158 1.124 0.473) 1.230 19.090 ( -0.773 -0.396 1.485) 1.721 19.418 ( -3.108 1.709 10.839) 11.405 ======================= Grid point 2 (3/226) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 16.814 10.867 13.455) 24.121 1.007 ( 26.940 1.563 -1.170) 27.010 2.430 ( 47.807 32.710 4.906) 58.134 3.376 ( -15.251 -7.302 -4.430) 17.480 3.684 ( -11.400 -4.581 2.596) 12.557 4.295 ( -4.502 -3.447 -4.920) 7.507 4.479 ( -1.161 -1.281 8.161) 8.342 4.696 ( -6.753 5.234 -2.113) 8.801 4.900 ( 4.957 -8.561 5.336) 11.240 4.974 ( 5.690 3.895 -4.494) 8.231 6.103 ( 3.998 2.765 0.232) 4.866 6.177 ( 5.483 2.425 3.313) 6.849 7.142 ( -3.476 -1.591 0.410) 3.845 7.845 ( -2.303 -1.527 -1.861) 3.332 8.497 ( -6.107 -23.088 -0.182) 23.883 8.534 ( -18.358 10.079 -0.130) 20.943 9.337 ( 11.309 6.092 -0.581) 12.859 10.057 ( 6.089 4.354 -4.881) 8.936 14.081 ( -1.378 0.519 -0.695) 1.628 14.422 ( 11.949 5.075 0.710) 13.002 14.791 ( 7.850 4.718 -0.970) 9.210 15.392 ( 3.689 1.449 -2.678) 4.784 15.828 ( 0.931 0.360 0.143) 1.008 17.033 ( -4.175 -2.289 -8.545) 9.782 17.388 ( -5.156 -3.038 1.084) 6.082 18.871 ( -0.733 -5.426 -10.164) 11.545 18.989 ( 0.828 0.090 -2.111) 2.269 19.047 ( 0.306 1.729 0.853) 1.952 19.088 ( 0.072 -0.000 0.585) 0.590 19.430 ( -2.331 2.811 3.062) 4.766 ======================= Grid point 3 (4/226) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 14.953 7.291 8.805) 18.822 1.432 ( 23.463 2.429 -1.778) 23.655 3.077 ( -9.045 -6.119 -1.818) 11.071 3.408 ( 11.613 8.883 4.313) 15.243 3.577 ( 16.488 19.240 2.954) 25.509 4.108 ( -10.734 -3.325 -5.261) 12.408 4.478 ( 1.143 -2.278 6.803) 7.264 4.633 ( -5.693 6.458 -5.830) 10.398 4.862 ( 1.814 -12.434 2.966) 12.911 5.115 ( 8.275 2.454 -0.508) 8.646 6.219 ( 5.510 3.389 0.795) 6.517 6.307 ( 4.883 2.339 2.860) 6.124 7.065 ( -4.373 -1.214 1.340) 4.732 7.791 ( -1.145 -0.615 -2.519) 2.835 8.052 ( -21.742 -14.673 0.650) 26.238 8.378 ( -7.960 -1.507 -1.802) 8.300 9.574 ( 10.306 5.351 -0.575) 11.627 10.174 ( 4.995 3.898 -2.303) 6.741 14.059 ( -1.359 0.605 -0.740) 1.662 14.640 ( 8.151 3.261 -0.744) 8.811 15.035 ( 13.602 8.356 0.088) 15.964 15.463 ( 4.793 1.055 -2.174) 5.368 15.858 ( 1.875 1.327 -0.995) 2.503 16.884 ( -7.531 -4.779 2.996) 9.409 17.252 ( -7.253 -4.327 1.147) 8.523 18.759 ( -0.740 -3.868 -10.610) 11.317 18.988 ( 0.152 -0.211 -1.113) 1.143 19.068 ( 0.638 0.113 0.651) 0.918 19.096 ( -0.136 1.561 -0.285) 1.592 19.424 ( -2.152 1.884 0.520) 2.907 ======================= Grid point 4 (5/226) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 7.442 -3.116 0.440) 8.080 1.866 ( 20.370 10.378 1.409) 22.904 2.885 ( -6.752 -8.192 0.800) 10.646 3.442 ( 2.433 4.311 6.590) 8.242 3.773 ( -16.924 0.115 -0.060) 16.924 4.250 ( 11.606 14.634 -2.946) 18.909 4.487 ( -5.680 -1.256 -8.711) 10.475 4.625 ( 6.883 3.104 0.290) 7.556 4.821 ( 5.980 -8.008 4.213) 10.845 5.354 ( 17.718 6.592 4.781) 19.500 6.346 ( 5.337 2.413 0.634) 5.892 6.404 ( 3.253 1.327 1.934) 4.010 6.992 ( -4.251 -0.464 1.921) 4.687 7.502 ( -25.744 -15.047 -1.058) 29.838 7.790 ( 1.175 1.936 -1.207) 2.566 8.211 ( -7.596 -3.934 -2.277) 8.852 9.765 ( 7.230 3.618 -0.438) 8.096 10.270 ( 3.373 2.781 -0.963) 4.477 14.041 ( -0.997 0.488 -0.562) 1.244 14.753 ( 3.757 1.480 -1.339) 4.254 15.346 ( 11.226 7.970 0.605) 13.780 15.562 ( 7.524 1.281 -2.063) 7.907 15.903 ( 2.300 2.226 -2.179) 3.872 16.731 ( -7.530 -5.439 7.946) 12.224 17.083 ( -7.783 -4.625 0.696) 9.080 18.675 ( -0.302 -1.812 -8.498) 8.694 18.982 ( -0.084 -0.221 -0.513) 0.565 19.075 ( 0.431 -0.628 -0.377) 0.850 19.109 ( -0.267 1.762 0.275) 1.803 19.403 ( -1.720 0.752 -0.315) 1.904 ======================= Grid point 5 (6/226) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 1.580 -2.445 -0.702) 2.995 2.299 ( 16.272 13.075 1.232) 20.911 2.652 ( -9.835 -12.884 -0.276) 16.211 3.533 ( -9.034 1.156 1.638) 9.254 3.655 ( 8.140 6.370 4.508) 11.277 4.198 ( -8.921 -5.797 -4.816) 11.678 4.466 ( 2.417 3.219 -2.793) 4.899 4.684 ( 0.342 -0.822 0.730) 1.151 4.909 ( 3.413 0.005 -0.391) 3.435 5.881 ( 23.421 11.617 4.357) 26.505 6.413 ( 1.922 -2.670 -1.013) 3.442 6.478 ( 2.008 3.031 2.973) 4.696 6.923 ( -21.998 -11.985 -2.834) 25.211 6.941 ( -2.598 0.124 1.017) 2.792 7.865 ( 3.911 4.051 0.438) 5.648 8.037 ( -6.189 -4.764 -1.852) 8.027 9.871 ( 2.608 1.274 -0.167) 2.907 10.325 ( 1.208 1.021 -0.251) 1.601 14.031 ( -0.371 0.187 -0.210) 0.465 14.795 ( 1.020 0.393 -0.573) 1.234 15.508 ( 2.700 2.198 0.058) 3.482 15.706 ( 5.752 1.898 -0.968) 6.134 15.946 ( 1.308 1.476 -1.388) 2.412 16.626 ( -3.322 -2.681 4.680) 6.334 16.940 ( -4.073 -2.378 0.086) 4.718 18.632 ( -0.047 -0.435 -3.291) 3.320 18.978 ( -0.049 -0.088 -0.153) 0.183 19.071 ( -0.014 -0.190 -0.283) 0.341 19.121 ( 0.081 0.597 0.218) 0.640 19.384 ( -0.746 0.128 -0.237) 0.793 ======================= Grid point 12 (7/226) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -2.080 14.721 27.576) 31.328 0.593 ( -17.052 25.587 8.725) 31.963 1.238 ( 8.816 59.735 6.395) 60.719 3.759 ( 0.557 -15.120 -3.960) 15.640 3.811 ( 2.917 -10.686 -9.118) 14.347 4.399 ( -1.778 11.692 -0.496) 11.837 4.567 ( 0.979 -17.192 23.507) 29.140 4.719 ( 0.625 0.075 -1.509) 1.635 4.765 ( -1.257 -2.329 1.097) 2.865 4.959 ( -1.239 5.026 2.634) 5.808 6.041 ( 1.094 2.115 0.125) 2.384 6.069 ( -1.939 3.327 2.728) 4.719 7.200 ( 0.084 -2.252 -0.081) 2.255 7.900 ( -0.132 -2.181 -1.057) 2.428 8.663 ( -1.117 -6.284 0.150) 6.384 8.822 ( 0.786 -13.043 -1.258) 13.127 9.108 ( 1.426 11.407 0.487) 11.506 9.867 ( 0.459 15.306 -19.650) 24.912 14.104 ( 1.982 -0.422 0.207) 2.037 14.193 ( -2.482 8.454 0.205) 8.813 14.674 ( -0.380 4.398 -0.230) 4.421 15.301 ( 0.123 5.926 -9.562) 11.250 15.808 ( -0.520 -0.081 -0.639) 0.828 16.929 ( 0.354 24.983 -49.167) 55.151 17.472 ( -0.007 -2.740 0.225) 2.749 18.908 ( -3.015 2.316 -9.199) 9.953 19.004 ( -1.572 -0.514 -0.927) 1.896 19.034 ( 0.284 1.837 -0.517) 1.929 19.096 ( -0.030 -0.726 1.170) 1.377 19.446 ( 4.417 -7.898 9.859) 13.382 ======================= Grid point 13 (8/226) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 8.856 20.776 5.502) 23.245 0.927 ( 7.272 21.535 11.910) 25.661 2.171 ( 30.072 45.937 9.181) 55.667 3.476 ( -10.060 -12.135 -5.367) 16.651 3.723 ( -0.727 -13.032 0.308) 13.056 4.361 ( -6.818 1.201 -2.819) 7.475 4.557 ( -1.924 -1.258 13.262) 13.459 4.732 ( 4.765 -8.881 4.265) 10.944 4.766 ( 2.175 1.711 -8.287) 8.737 4.970 ( -3.665 4.430 0.140) 5.751 6.097 ( 1.406 4.156 1.254) 4.563 6.133 ( 4.230 3.476 2.002) 5.829 7.164 ( -1.301 -2.803 0.368) 3.112 7.853 ( -1.732 -1.898 -2.139) 3.344 8.401 ( -9.240 -15.076 -0.558) 17.691 8.943 ( 3.861 -3.648 -0.392) 5.326 9.076 ( -2.803 5.683 0.725) 6.378 10.017 ( 6.900 11.606 -8.568) 15.991 14.092 ( -1.724 -1.075 1.311) 2.418 14.354 ( 8.128 12.262 -1.338) 14.772 14.732 ( 2.632 5.227 -1.283) 5.991 15.349 ( 2.728 4.711 -5.236) 7.553 15.809 ( 1.167 0.012 -1.032) 1.558 16.972 ( 2.806 5.497 -17.914) 18.947 17.420 ( -2.473 -4.428 0.798) 5.134 18.800 ( -3.209 -1.854 -11.203) 11.800 18.982 ( -0.304 -0.014 0.028) 0.306 19.053 ( 0.374 1.117 -0.533) 1.293 19.095 ( -0.102 0.492 0.972) 1.094 19.477 ( 0.934 -2.610 3.669) 4.598 ======================= Grid point 14 (9/226) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 15.909 17.230 3.984) 23.787 1.318 ( 7.417 22.780 6.332) 24.780 3.018 ( 14.739 10.610 -3.268) 18.452 3.270 ( 5.798 1.804 5.678) 8.314 3.614 ( 1.127 2.848 3.230) 4.451 4.250 ( -7.269 1.815 -2.477) 7.891 4.527 ( -4.533 -3.428 7.534) 9.437 4.705 ( -0.114 -7.702 -3.076) 8.295 4.765 ( -1.707 0.365 1.211) 2.125 4.983 ( 5.291 1.220 -4.348) 6.956 6.186 ( 3.180 4.391 0.821) 5.484 6.260 ( 5.351 2.907 2.568) 6.609 7.113 ( -2.235 -2.479 1.301) 3.583 7.801 ( -1.555 0.093 -2.703) 3.120 8.065 ( -9.981 -21.880 0.155) 24.049 8.749 ( -21.697 10.857 -1.167) 24.290 9.273 ( 19.196 -8.567 0.396) 21.025 10.192 ( 3.739 11.715 -3.617) 12.818 14.056 ( -0.862 -2.704 0.720) 2.928 14.619 ( 5.865 15.171 -1.747) 16.359 14.880 ( 11.299 5.228 -1.140) 12.502 15.418 ( 2.306 4.461 -2.507) 5.613 15.836 ( 2.004 1.409 -1.709) 2.987 16.934 ( -2.796 -3.222 -0.431) 4.288 17.311 ( -5.026 -6.257 1.597) 8.183 18.683 ( -1.218 -1.384 -13.274) 13.401 18.982 ( 0.120 0.078 -0.254) 0.292 19.056 ( 0.190 -0.782 -0.066) 0.808 19.115 ( 0.192 2.160 -0.048) 2.169 19.465 ( -1.214 -1.544 1.065) 2.234 ======================= Grid point 15 (10/226) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 2.194 23.349 -2.166) 23.551 1.694 ( 14.554 15.177 8.120) 22.541 2.915 ( -6.695 -9.254 0.413) 11.430 3.388 ( 6.616 -4.250 0.391) 7.873 4.074 ( -14.294 1.582 0.264) 14.383 4.136 ( 20.733 21.833 3.991) 30.372 4.446 ( -0.622 -8.662 -5.750) 10.415 4.598 ( -2.155 -0.297 1.018) 2.402 4.739 ( -0.913 -1.832 3.036) 3.662 5.147 ( 14.288 3.458 -0.537) 14.710 6.277 ( 3.915 0.993 -0.440) 4.063 6.387 ( 4.228 3.961 3.032) 6.539 7.052 ( -3.118 -2.333 1.378) 4.131 7.624 ( -14.582 -23.916 -0.429) 28.014 7.805 ( 0.028 3.313 -1.026) 3.468 8.480 ( -20.400 8.807 -2.366) 22.345 9.496 ( 17.436 -10.057 0.473) 20.134 10.329 ( 0.648 11.375 -1.557) 11.499 14.020 ( 0.221 -4.154 0.289) 4.170 14.784 ( 0.161 12.485 -2.630) 12.760 15.197 ( 16.589 8.302 0.089) 18.551 15.488 ( 2.461 3.726 -1.018) 4.580 15.886 ( 2.293 3.569 -2.700) 5.028 16.825 ( -6.089 -6.918 7.688) 12.002 17.152 ( -6.678 -7.396 1.699) 10.108 18.612 ( 0.709 0.843 -12.190) 12.240 18.982 ( -0.054 0.118 -0.271) 0.301 19.052 ( 0.656 -1.157 -0.383) 1.384 19.131 ( -0.437 1.564 -0.547) 1.714 19.425 ( -1.494 -2.128 0.261) 2.613 ======================= Grid point 16 (11/226) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -7.765 24.653 0.070) 25.847 2.146 ( 17.827 14.177 3.884) 23.106 2.687 ( -9.024 -11.856 1.653) 14.991 3.544 ( 9.331 2.051 -1.645) 9.695 3.816 ( -15.880 2.703 6.016) 17.195 4.199 ( -6.422 -14.550 -7.710) 17.675 4.455 ( 2.927 6.337 -1.990) 7.258 4.692 ( 1.392 2.067 0.032) 2.492 4.772 ( 8.541 -2.467 0.164) 8.892 5.592 ( 26.048 13.339 5.097) 29.706 6.326 ( 3.351 -2.515 -1.237) 4.369 6.504 ( 2.355 4.641 3.619) 6.339 6.975 ( -3.557 -2.844 -0.266) 4.562 7.100 ( -18.717 -22.976 -1.408) 29.669 7.882 ( 2.165 7.983 0.362) 8.280 8.222 ( -16.712 5.451 -2.441) 17.747 9.654 ( 13.559 -12.120 0.688) 18.200 10.415 ( -2.188 10.161 -0.638) 10.413 13.989 ( 1.442 -5.165 0.257) 5.369 14.864 ( -2.474 10.828 -2.005) 11.287 15.496 ( 5.722 6.506 1.224) 8.750 15.586 ( 8.402 2.965 -1.066) 8.974 15.947 ( 1.502 4.826 -2.837) 5.796 16.690 ( -5.881 -6.824 7.450) 11.690 16.981 ( -5.545 -6.728 1.332) 8.819 18.602 ( 1.669 2.595 -7.216) 7.848 18.981 ( -0.139 0.296 -0.106) 0.344 19.052 ( 1.063 -1.057 -0.840) 1.718 19.126 ( -0.625 0.249 -0.812) 1.054 19.384 ( -0.669 -2.795 0.509) 2.918 ======================= Grid point 17 (12/226) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -10.813 27.935 1.736) 30.005 2.403 ( -11.341 -12.105 0.909) 16.613 2.580 ( 14.741 13.576 1.616) 20.105 3.483 ( -6.555 -3.585 -3.524) 8.261 3.711 ( -8.715 -6.368 -2.995) 11.201 4.082 ( 9.433 -0.287 2.505) 9.764 4.493 ( -1.626 -0.211 1.262) 2.069 4.706 ( 0.056 1.309 0.181) 1.323 4.868 ( 5.876 -2.566 -1.507) 6.587 6.032 ( -1.282 -1.733 0.866) 2.323 6.370 ( 7.617 0.955 -0.083) 7.677 6.529 ( -5.808 -2.257 -1.355) 6.377 6.701 ( 4.465 -5.037 1.738) 6.952 6.913 ( -0.231 -2.035 -2.105) 2.937 7.953 ( -6.757 2.598 -0.021) 7.239 8.088 ( -1.716 11.834 0.617) 11.974 9.715 ( 8.652 -14.871 0.915) 17.229 10.443 ( -5.011 8.430 -0.125) 9.808 13.974 ( 2.590 -5.431 0.645) 6.051 14.896 ( -4.658 9.753 -0.985) 10.853 15.550 ( -2.257 1.253 1.255) 2.870 15.725 ( 2.667 -0.009 0.605) 2.735 15.985 ( -1.420 3.669 -0.987) 4.056 16.595 ( -1.272 -2.692 -0.458) 3.012 16.895 ( 1.236 -2.742 1.187) 3.233 18.642 ( 1.742 3.423 -0.588) 3.885 18.983 ( -0.089 0.498 0.116) 0.519 19.059 ( 1.224 -0.661 -0.844) 1.628 19.109 ( -0.285 -1.090 -1.235) 1.672 19.360 ( 0.735 -3.046 1.301) 3.393 ======================= Grid point 18 (13/226) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -18.251 19.411 -3.028) 26.815 2.117 ( -13.721 0.269 5.010) 14.610 2.847 ( 4.428 5.199 -1.802) 7.063 3.365 ( -0.957 -5.541 -8.832) 10.470 3.557 ( 6.485 -4.157 1.232) 7.801 4.261 ( 3.247 -1.875 2.374) 4.438 4.437 ( -0.153 -6.870 8.239) 10.729 4.702 ( -3.324 -0.303 0.390) 3.360 4.924 ( 1.533 3.919 -1.855) 4.599 5.596 ( -24.864 -10.748 -6.594) 27.879 6.368 ( -1.697 -2.862 -1.950) 3.857 6.472 ( -4.988 -0.202 -0.345) 5.004 6.913 ( 4.282 -0.420 -0.896) 4.395 7.112 ( 29.226 4.979 0.707) 29.655 7.845 ( -5.578 1.084 1.282) 5.825 8.262 ( 2.385 16.230 1.689) 16.491 9.665 ( 3.732 -17.831 1.061) 18.248 10.411 ( -7.493 6.577 0.395) 9.978 13.978 ( 3.298 -4.897 1.267) 6.038 14.887 ( -6.727 8.554 -0.312) 10.887 15.450 ( -8.942 -4.269 0.089) 9.909 15.675 ( -5.877 -3.303 2.585) 7.220 15.960 ( -4.068 1.805 0.928) 4.546 16.613 ( 5.990 1.951 -6.562) 9.096 16.978 ( 7.810 1.400 0.214) 7.938 18.717 ( 1.723 4.120 4.315) 6.210 18.989 ( 0.019 0.556 0.351) 0.658 19.071 ( 1.105 -0.548 -1.048) 1.618 19.085 ( -0.021 -1.514 -0.863) 1.743 19.360 ( 1.789 -3.240 1.985) 4.200 ======================= Grid point 19 (14/226) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -22.300 -1.363 -7.295) 23.502 1.935 ( -26.328 15.326 2.604) 30.575 2.926 ( 9.771 -1.965 -1.978) 10.161 3.317 ( 4.665 -2.864 -6.233) 8.296 3.685 ( -2.277 -7.751 1.266) 8.177 4.121 ( -7.584 -2.098 11.319) 13.785 4.487 ( 6.530 -8.760 6.339) 12.631 4.559 ( -9.344 0.491 -4.064) 10.202 4.983 ( -0.934 9.535 -4.600) 10.628 5.196 ( -8.996 -5.026 -5.669) 11.761 6.286 ( -5.080 -1.516 -0.441) 5.319 6.355 ( -5.401 -2.588 -2.277) 6.407 6.991 ( 4.901 0.936 -0.169) 4.992 7.642 ( 29.093 0.673 -0.462) 29.105 7.811 ( -1.288 1.468 1.980) 2.781 8.478 ( 1.371 20.316 1.520) 20.419 9.512 ( -0.188 -20.359 1.114) 20.390 10.329 ( -9.108 4.739 1.103) 10.326 14.000 ( 3.361 -3.796 1.802) 5.381 14.825 ( -10.047 7.526 -0.456) 12.562 15.178 ( -14.177 -8.553 -1.045) 16.591 15.554 ( -5.843 -2.445 2.515) 6.815 15.906 ( -4.191 0.945 0.443) 4.319 16.750 ( 10.092 3.150 -4.905) 11.655 17.143 ( 8.956 2.235 -0.576) 9.248 18.817 ( 2.054 4.912 5.022) 7.319 18.996 ( 0.201 0.088 0.497) 0.543 19.051 ( 0.059 -1.940 -2.051) 2.824 19.095 ( 0.402 0.534 0.984) 1.190 19.369 ( 1.746 -3.640 2.489) 4.743 ======================= Grid point 20 (15/226) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -23.528 -1.844 -7.486) 24.759 1.527 ( -31.301 4.519 -5.418) 32.086 2.960 ( -36.169 -14.037 0.707) 38.804 3.192 ( 11.273 2.234 1.542) 11.595 3.512 ( 7.030 0.154 1.686) 7.231 4.278 ( 6.622 4.992 7.863) 11.428 4.462 ( -0.219 0.669 -4.058) 4.118 4.534 ( 6.096 -4.731 1.911) 7.950 5.005 ( -2.875 5.517 -7.853) 10.019 5.038 ( -4.677 -4.168 0.365) 6.276 6.173 ( -6.241 -1.103 0.730) 6.380 6.234 ( -5.274 -1.491 -2.750) 6.132 7.083 ( 4.693 0.847 0.375) 4.784 7.831 ( 1.320 0.978 0.952) 1.899 8.080 ( 24.472 -2.961 -0.606) 24.658 8.719 ( 0.932 24.124 1.025) 24.164 9.289 ( -2.474 -21.637 1.133) 21.808 10.214 ( -9.561 2.600 1.770) 10.065 14.032 ( 2.898 -2.299 1.957) 4.185 14.660 ( -16.739 4.063 -2.099) 17.353 14.887 ( -9.335 -5.611 -0.231) 10.894 15.459 ( -4.413 -1.678 1.533) 4.964 15.852 ( -2.739 0.414 -0.535) 2.821 16.942 ( 10.679 2.116 -0.105) 10.887 17.298 ( 7.517 1.391 -0.661) 7.674 18.919 ( 2.602 4.561 0.358) 5.263 18.993 ( 0.518 -2.205 -1.019) 2.484 19.036 ( 0.015 0.206 0.940) 0.962 19.102 ( -1.140 0.846 0.813) 1.636 19.373 ( 1.030 -3.138 3.857) 5.077 ======================= Grid point 21 (16/226) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -22.844 2.550 -3.516) 23.253 0.968 ( -30.052 -3.264 -10.776) 32.092 2.058 ( -57.321 0.931 5.671) 57.608 3.508 ( 18.647 0.314 1.363) 18.699 3.709 ( 13.011 -0.105 2.092) 13.178 4.370 ( 2.336 -0.762 -1.034) 2.666 4.454 ( -1.210 -1.721 1.465) 2.563 4.674 ( 6.365 4.841 3.118) 8.583 4.870 ( -6.242 -4.231 -3.835) 8.460 4.978 ( -3.691 1.523 -2.485) 4.703 6.082 ( -4.132 -0.184 0.888) 4.230 6.124 ( -5.466 0.166 -1.309) 5.623 7.159 ( 3.558 0.005 0.295) 3.571 7.871 ( 2.426 0.016 -0.231) 2.437 8.409 ( 17.885 -0.603 -0.544) 17.903 8.942 ( 1.428 4.574 0.592) 4.828 9.064 ( -3.652 -4.068 0.909) 5.542 10.081 ( -8.400 0.110 0.728) 8.432 14.071 ( 2.083 -0.241 1.497) 2.576 14.380 ( -15.233 0.204 -2.032) 15.370 14.744 ( -6.068 0.367 -0.364) 6.090 15.388 ( -3.187 -0.568 0.176) 3.242 15.821 ( -0.999 0.210 -0.520) 1.146 17.126 ( 9.000 0.005 0.218) 9.003 17.410 ( 5.202 0.010 -0.086) 5.203 18.966 ( 2.447 -1.983 -6.635) 7.344 18.984 ( 0.509 2.220 -1.972) 3.013 19.062 ( 1.145 0.133 2.064) 2.364 19.075 ( -2.563 -0.044 -0.237) 2.575 19.389 ( -0.257 -0.310 6.932) 6.944 ======================= Grid point 23 (17/226) ======================= q-point: ( 0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -6.679 16.277 22.126) 28.269 1.163 ( -10.853 25.882 14.447) 31.565 2.016 ( -30.363 46.738 0.290) 55.736 3.456 ( 11.658 -12.292 -4.930) 17.644 3.653 ( 0.486 -13.715 -4.897) 14.571 4.375 ( 7.596 -3.325 -3.484) 8.994 4.501 ( -0.084 -4.171 7.150) 8.279 4.664 ( 4.293 -5.760 3.046) 7.803 4.863 ( -8.380 3.903 -2.517) 9.581 5.054 ( 0.670 7.045 6.149) 9.375 6.071 ( -2.089 3.206 -0.454) 3.853 6.170 ( -3.281 3.849 4.454) 6.739 7.156 ( 1.701 -3.476 -0.217) 3.876 7.860 ( 1.623 -1.658 -1.753) 2.908 8.416 ( 8.579 -15.737 0.354) 17.927 8.926 ( 1.737 -0.564 -1.618) 2.440 9.051 ( -2.145 2.974 -0.733) 3.739 10.001 ( -6.461 11.194 -9.084) 15.798 14.050 ( 1.575 -2.072 -1.266) 2.894 14.412 ( -8.234 13.451 2.227) 15.927 14.742 ( -2.099 6.012 -0.552) 6.392 15.343 ( -3.412 3.555 -5.778) 7.594 15.825 ( -1.042 0.556 -0.023) 1.181 16.965 ( -2.954 5.830 -18.495) 19.615 17.421 ( 2.415 -4.300 0.746) 4.988 18.927 ( -0.100 2.577 -10.616) 10.925 18.988 ( 2.405 0.140 -1.032) 2.621 19.037 ( 0.453 0.951 1.293) 1.667 19.097 ( 0.261 0.332 0.772) 0.879 19.352 ( -0.478 -7.236 2.106) 7.551 ======================= Grid point 24 (18/226) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -10.643 13.966 21.107) 27.455 1.162 ( -5.805 24.040 9.483) 26.487 2.408 ( 6.119 54.907 3.568) 55.362 3.438 ( -3.918 -14.185 -2.666) 14.956 3.504 ( 8.365 -11.723 -5.264) 15.334 4.378 ( 1.417 -8.237 -2.264) 8.659 4.526 ( 6.099 -7.495 7.537) 12.255 4.645 ( -1.240 -6.043 -4.035) 7.371 4.800 ( -5.090 8.422 2.017) 10.045 5.109 ( -4.454 4.797 3.791) 7.565 6.103 ( 1.826 4.029 0.313) 4.435 6.177 ( -2.219 4.300 2.805) 5.593 7.134 ( 0.673 -4.411 -0.150) 4.465 7.844 ( -0.393 -1.481 -1.933) 2.467 8.475 ( -3.410 -20.553 -1.229) 20.870 8.546 ( 3.519 -6.301 0.405) 7.228 9.359 ( 1.400 13.285 0.788) 13.382 9.984 ( 0.755 10.781 -8.623) 13.826 14.095 ( 3.302 -0.783 0.210) 3.400 14.412 ( -4.014 12.785 0.078) 13.401 14.800 ( -1.427 9.098 -0.496) 9.223 15.335 ( 1.519 5.825 -6.112) 8.579 15.805 ( -1.178 0.891 -1.158) 1.876 16.935 ( 0.219 6.783 -11.660) 13.491 17.396 ( -0.066 -5.674 0.842) 5.736 18.822 ( -5.894 -0.863 -10.900) 12.421 18.988 ( -0.380 -0.490 -0.486) 0.788 19.057 ( -0.162 0.490 -0.255) 0.576 19.110 ( -0.058 1.147 1.168) 1.638 19.375 ( 6.890 -4.704 1.065) 8.410 ======================= Grid point 25 (19/226) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 4.441 18.031 11.903) 22.058 1.485 ( 6.058 26.265 5.697) 27.550 2.988 ( 4.979 23.839 -1.338) 24.391 3.227 ( -2.367 -10.642 2.247) 11.131 3.566 ( 9.866 4.519 2.090) 11.051 4.299 ( -0.161 -4.810 -4.172) 6.369 4.516 ( -2.147 -8.800 -2.099) 9.298 4.640 ( 8.211 -2.750 7.294) 11.321 4.801 ( -4.979 6.383 -0.729) 8.128 5.032 ( -8.432 1.391 -0.688) 8.573 6.204 ( 2.206 5.298 1.125) 5.848 6.216 ( 2.833 2.972 1.261) 4.295 7.099 ( 0.260 -4.646 0.479) 4.678 7.814 ( -0.981 0.524 -2.180) 2.448 8.065 ( -13.489 -19.583 -0.146) 23.780 8.742 ( 19.211 -11.852 0.328) 22.575 9.303 ( -18.270 12.744 -0.267) 22.277 10.168 ( 9.424 9.923 -4.279) 14.338 14.079 ( -3.337 -1.568 0.806) 3.774 14.607 ( 11.360 13.213 -1.119) 17.461 14.857 ( -1.655 10.104 -1.712) 10.381 15.426 ( 2.968 7.755 -3.085) 8.858 15.806 ( 1.226 1.341 -1.997) 2.700 16.939 ( -0.847 -0.595 -0.068) 1.037 17.317 ( -2.636 -7.491 1.847) 8.153 18.660 ( -4.500 -0.007 -13.221) 13.966 18.980 ( 0.003 -0.329 0.069) 0.336 19.050 ( -0.334 -0.538 -0.165) 0.654 19.131 ( 0.249 1.731 0.464) 1.810 19.424 ( 3.177 -3.779 -0.718) 4.990 ======================= Grid point 26 (20/226) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 11.300 17.726 9.442) 23.045 1.884 ( 5.021 30.450 0.428) 30.864 2.952 ( -6.625 -4.197 -1.161) 7.928 3.191 ( 5.831 -10.241 1.869) 11.932 3.981 ( 16.924 10.952 5.737) 20.959 4.239 ( -0.423 -2.573 -6.281) 6.801 4.381 ( -4.767 -2.570 -4.045) 6.760 4.722 ( -8.761 2.710 7.927) 12.122 4.792 ( -2.147 1.488 0.661) 2.695 4.966 ( 8.895 4.674 -3.001) 10.486 6.244 ( 0.855 1.030 -0.286) 1.369 6.359 ( 5.819 5.144 1.999) 8.020 7.052 ( -0.636 -5.221 0.251) 5.265 7.622 ( -13.558 -22.649 -0.170) 26.397 7.835 ( 0.434 4.023 -0.281) 4.056 8.842 ( -3.595 -2.866 -1.343) 4.790 9.169 ( 0.131 1.024 0.111) 1.039 10.378 ( 5.575 9.617 -1.717) 11.248 13.999 ( -2.892 -3.474 0.060) 4.521 14.929 ( -1.785 14.294 -2.242) 14.578 14.977 ( 17.971 9.314 -0.503) 20.248 15.523 ( 0.329 7.789 -0.611) 7.819 15.857 ( 3.514 3.169 -2.685) 5.441 16.881 ( -4.154 -6.348 7.270) 10.507 17.182 ( -5.098 -9.124 2.795) 10.819 18.563 ( -0.633 3.028 -13.706) 14.051 18.978 ( 0.203 -0.550 0.002) 0.586 19.037 ( -0.245 -0.742 -0.171) 0.800 19.147 ( -0.222 1.053 -0.343) 1.130 19.407 ( 0.158 -3.955 -1.003) 4.083 ======================= Grid point 27 (21/226) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 13.317 17.672 6.253) 22.995 2.174 ( -5.087 28.186 0.648) 28.648 2.769 ( -10.222 -5.163 3.150) 11.877 3.324 ( 16.143 -1.102 -1.872) 16.288 4.056 ( 0.030 -18.619 -2.551) 18.793 4.126 ( -13.155 0.445 1.394) 13.236 4.421 ( 7.610 5.771 -3.265) 10.094 4.642 ( -2.369 0.383 -1.968) 3.103 4.722 ( -1.566 -2.718 0.232) 3.146 5.375 ( 20.064 18.507 4.727) 27.702 6.259 ( 1.565 -1.221 -0.602) 2.074 6.510 ( 4.516 5.062 2.398) 7.195 6.972 ( -1.776 -7.023 -1.332) 7.365 7.149 ( -15.790 -23.186 0.681) 28.060 7.928 ( 2.683 8.613 0.469) 9.033 8.611 ( -20.402 6.589 -2.295) 21.562 9.279 ( 14.701 -11.945 0.646) 18.953 10.519 ( 1.307 8.785 -0.599) 8.902 13.926 ( -0.715 -5.100 -0.197) 5.154 15.018 ( -1.719 12.539 -1.971) 12.809 15.363 ( 15.824 9.208 -0.133) 18.309 15.583 ( -0.621 5.764 0.094) 5.798 15.947 ( 3.267 5.523 -2.368) 6.840 16.758 ( -6.216 -8.369 8.334) 13.347 17.009 ( -5.893 -9.150 2.641) 11.199 18.562 ( 2.343 5.376 -9.962) 11.560 18.976 ( 0.473 -0.994 -0.229) 1.125 19.028 ( 0.065 -0.609 -0.270) 0.669 19.137 ( -0.995 -0.049 -1.081) 1.470 19.358 ( -0.395 -4.502 -0.206) 4.524 ======================= Grid point 28 (22/226) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -6.046 17.323 3.243) 18.632 2.466 ( 13.064 13.482 4.108) 19.217 2.560 ( -14.171 8.312 0.744) 16.446 3.519 ( 1.766 0.115 -5.146) 5.442 3.803 ( -11.111 -13.732 -4.405) 18.205 3.955 ( 1.363 -1.252 4.857) 5.198 4.526 ( -0.232 0.903 1.333) 1.626 4.639 ( 6.582 -3.541 -5.511) 9.286 4.724 ( 4.709 -2.052 0.751) 5.191 5.917 ( 18.760 13.756 3.178) 23.479 6.273 ( 2.707 -1.531 0.437) 3.140 6.571 ( -5.906 -8.371 -1.962) 10.430 6.691 ( -7.122 -9.893 3.950) 12.814 6.886 ( -2.001 -3.777 -3.315) 5.410 8.065 ( 0.755 8.647 0.634) 8.703 8.352 ( -15.788 10.291 -0.902) 18.868 9.379 ( 12.617 -16.428 0.712) 20.727 10.587 ( -2.293 7.301 -0.084) 7.653 13.880 ( 1.580 -5.526 0.144) 5.750 15.083 ( -4.134 12.209 -1.283) 12.954 15.609 ( -0.937 3.161 1.456) 3.604 15.643 ( 7.942 3.378 -0.591) 8.651 16.033 ( 0.972 6.118 -1.440) 6.360 16.614 ( -5.226 -6.251 3.195) 8.752 16.867 ( -2.313 -6.322 2.292) 7.111 18.636 ( 3.305 6.382 -3.789) 8.124 18.973 ( 1.090 -1.757 -0.823) 2.225 19.026 ( 0.493 -0.285 -0.223) 0.612 19.107 ( -1.177 -0.756 -1.471) 2.030 19.315 ( 0.640 -4.797 1.092) 4.961 ======================= Grid point 29 (23/226) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -12.768 -6.493 2.075) 14.474 2.466 ( -8.395 25.293 0.923) 26.666 2.855 ( 3.333 17.386 -0.567) 17.712 3.371 ( -9.605 -3.761 -3.097) 10.770 3.469 ( -5.051 -10.700 -3.148) 12.243 4.118 ( 11.634 -3.812 4.301) 12.976 4.458 ( -4.943 -5.339 3.517) 8.081 4.707 ( 3.567 0.174 -1.163) 3.756 4.836 ( 8.601 1.151 -2.798) 9.117 5.881 ( -21.880 -9.661 -1.147) 23.945 6.343 ( -0.190 -3.024 -2.175) 3.730 6.496 ( 7.252 1.777 -0.802) 7.509 6.714 ( 13.301 -0.638 3.345) 13.730 6.865 ( 3.169 0.847 -2.682) 4.237 8.008 ( -10.188 2.606 0.857) 10.551 8.408 ( 1.431 18.712 1.050) 18.796 9.382 ( 8.034 -19.473 0.687) 21.077 10.584 ( -5.338 5.334 0.284) 7.552 13.875 ( 3.392 -4.657 0.820) 5.820 15.100 ( -6.581 10.903 -0.811) 12.761 15.560 ( -6.794 -1.548 0.842) 7.019 15.709 ( -0.856 -2.837 1.725) 3.429 16.066 ( -3.375 4.936 -0.282) 5.987 16.526 ( 0.740 -1.905 -3.285) 3.869 16.865 ( 5.458 -1.345 1.079) 5.724 18.744 ( 2.611 6.469 1.116) 7.064 18.971 ( 1.827 -2.453 -1.807) 3.553 19.037 ( 0.798 0.172 -0.068) 0.819 19.076 ( -0.556 -0.695 -1.016) 1.350 19.301 ( 2.015 -4.620 2.380) 5.574 ======================= Grid point 30 (24/226) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -21.390 -0.251 -2.287) 21.513 2.566 ( -24.048 18.690 2.456) 30.555 2.729 ( 2.656 -9.144 -6.747) 11.670 3.233 ( -1.711 -0.403 -5.463) 5.739 3.588 ( 12.494 7.096 6.043) 15.588 4.239 ( 5.446 -5.740 2.864) 8.415 4.334 ( -3.922 -9.195 11.219) 15.027 4.707 ( -5.397 0.891 -0.170) 5.472 4.958 ( 6.051 1.605 -7.530) 9.793 5.384 ( -22.262 -3.687 -5.498) 23.225 6.322 ( -0.483 -0.188 -1.707) 1.784 6.426 ( -6.780 -2.770 -0.206) 7.327 6.926 ( 4.329 0.824 1.789) 4.756 7.154 ( 28.561 0.850 -1.227) 28.600 7.894 ( -6.077 1.555 1.555) 6.462 8.649 ( 3.311 19.928 0.905) 20.221 9.284 ( 3.210 -20.092 0.616) 20.356 10.517 ( -7.651 3.011 0.660) 8.249 13.909 ( 4.188 -2.832 1.445) 5.258 15.067 ( -8.216 8.888 -0.675) 12.123 15.347 ( -14.521 -4.966 -0.829) 15.369 15.622 ( -4.854 -4.659 2.590) 7.210 16.018 ( -6.251 2.999 -0.392) 6.944 16.584 ( 8.422 0.720 -3.925) 9.320 16.999 ( 9.329 0.713 -0.206) 9.359 18.842 ( 1.740 4.414 0.320) 4.755 18.968 ( 1.579 -2.106 -1.793) 3.185 19.039 ( -0.390 0.244 -0.434) 0.632 19.090 ( 1.683 1.039 1.211) 2.319 19.313 ( 2.546 -4.029 3.696) 6.031 ======================= Grid point 31 (25/226) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -24.834 3.336 -3.141) 25.254 2.012 ( -31.492 -9.710 -7.979) 33.907 2.935 ( 14.629 2.615 1.696) 14.957 3.226 ( 0.050 4.358 -4.312) 6.131 3.719 ( -17.184 5.743 10.287) 20.834 4.260 ( 3.839 0.284 5.998) 7.127 4.330 ( 6.364 -9.822 9.107) 14.829 4.558 ( -7.631 2.726 -3.766) 8.936 4.965 ( 1.561 -4.357 -9.538) 10.602 5.126 ( -7.100 4.049 -4.794) 9.476 6.285 ( -6.176 -1.737 -0.806) 6.466 6.291 ( -4.141 1.403 0.519) 4.403 7.015 ( 4.475 0.198 1.896) 4.864 7.627 ( 27.563 -0.175 -0.583) 27.569 7.843 ( -1.902 0.195 0.275) 1.931 8.860 ( 3.621 3.911 0.197) 5.334 9.156 ( -1.058 -3.716 0.737) 3.934 10.395 ( -9.146 0.142 0.782) 9.180 13.970 ( 3.913 -0.479 1.676) 4.284 14.989 ( -8.309 -2.344 -1.065) 8.698 15.008 ( -19.506 4.387 -1.757) 20.071 15.516 ( -4.238 -3.058 1.577) 5.459 15.929 ( -5.756 1.254 -1.108) 5.995 16.753 ( 11.796 0.074 -0.995) 11.838 17.161 ( 9.210 0.172 -0.384) 9.219 18.877 ( 2.097 -0.451 -6.499) 6.844 18.973 ( 0.533 0.355 0.387) 0.749 19.041 ( 0.162 0.615 0.138) 0.651 19.130 ( 0.049 1.198 1.207) 1.702 19.349 ( 2.582 -1.757 5.932) 6.704 ======================= Grid point 32 (26/226) ======================= q-point: (-0.09 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -24.170 7.306 0.748) 25.261 1.361 ( -28.267 -7.888 -8.437) 30.536 3.039 ( -38.747 14.820 1.217) 41.502 3.206 ( 12.846 -1.147 1.856) 13.029 3.544 ( 3.282 -1.710 6.208) 7.227 4.292 ( 3.760 -6.379 -3.219) 8.074 4.410 ( 3.034 -2.846 7.483) 8.562 4.647 ( 7.932 8.262 5.030) 12.509 4.861 ( -2.043 -6.285 -7.578) 10.055 5.056 ( -4.805 4.050 -5.280) 8.208 6.174 ( -5.930 0.419 0.913) 6.014 6.231 ( -5.489 2.131 0.948) 5.964 7.092 ( 4.098 -1.007 1.338) 4.427 7.831 ( 1.038 -0.791 -1.316) 1.853 8.066 ( 24.272 2.036 -0.203) 24.358 8.758 ( 0.705 -23.806 -0.017) 23.816 9.269 ( -1.888 21.728 0.164) 21.811 10.223 ( -9.653 -2.615 -0.404) 10.009 14.042 ( 2.937 1.474 1.203) 3.499 14.646 ( -16.940 -2.803 -1.850) 17.270 14.896 ( -9.789 6.505 -0.986) 11.795 15.439 ( -3.358 -0.273 -0.172) 3.374 15.856 ( -3.146 0.494 -0.832) 3.292 16.940 ( 10.985 -2.059 -0.358) 11.182 17.297 ( 7.533 -1.269 0.280) 7.645 18.861 ( 2.550 -1.301 -9.868) 10.275 18.988 ( 0.311 1.033 -0.760) 1.319 19.054 ( 0.437 0.302 0.573) 0.781 19.114 ( -2.172 -0.529 0.026) 2.236 19.414 ( 1.599 0.080 6.216) 6.419 ======================= Grid point 34 (27/226) ======================= q-point: ( 0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -10.103 16.118 16.541) 25.208 1.616 ( -2.634 32.579 6.312) 33.289 2.967 ( -35.760 21.406 1.596) 41.708 3.160 ( 6.504 -3.926 -2.728) 8.071 3.492 ( 1.812 -10.912 -0.931) 11.101 4.166 ( 9.529 -6.022 -7.131) 13.338 4.476 ( -2.628 -9.353 -1.873) 9.894 4.559 ( 3.309 -1.098 4.221) 5.475 5.025 ( -3.167 7.662 -0.395) 8.300 5.119 ( 1.279 5.315 6.917) 8.816 6.166 ( -4.767 4.201 -0.179) 6.356 6.284 ( -3.663 3.040 3.723) 6.043 7.080 ( 2.437 -4.471 -0.043) 5.092 7.807 ( 2.089 -0.043 -2.233) 3.058 8.087 ( 9.619 -22.573 0.340) 24.539 8.704 ( 21.762 11.294 -0.927) 24.536 9.269 ( -20.138 -8.696 -1.401) 21.980 10.167 ( -4.116 11.101 -4.149) 12.546 14.005 ( -0.505 -3.910 -1.726) 4.304 14.688 ( -3.091 16.574 1.530) 16.929 14.887 ( -10.484 6.016 -0.236) 12.089 15.418 ( -4.378 3.117 -3.922) 6.654 15.851 ( -0.771 2.173 -0.583) 2.379 16.941 ( 2.173 -2.035 -0.273) 2.990 17.315 ( 4.976 -5.869 1.597) 7.858 18.817 ( 6.676 2.794 -12.516) 14.458 18.981 ( -0.568 0.160 -0.882) 1.061 19.054 ( -0.808 0.052 1.635) 1.825 19.094 ( 0.635 0.453 -0.435) 0.893 19.334 ( -3.861 -6.202 -1.035) 7.378 ======================= Grid point 35 (28/226) ======================= q-point: ( 0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -4.669 17.913 17.437) 25.431 1.707 ( -22.413 16.787 12.331) 30.597 2.918 ( -4.871 40.078 -4.048) 40.575 3.228 ( 8.312 -3.302 -3.133) 9.477 3.364 ( -2.986 -9.944 0.001) 10.382 4.201 ( 6.111 -8.524 -7.601) 12.953 4.374 ( 3.659 -10.621 1.928) 11.398 4.581 ( 0.485 -3.914 -0.481) 3.973 5.014 ( -7.050 9.080 4.409) 12.312 5.214 ( -0.520 3.097 4.590) 5.561 6.149 ( -2.118 5.071 -0.058) 5.496 6.273 ( -2.965 2.782 2.620) 4.837 7.061 ( 1.682 -5.778 -0.727) 6.061 7.823 ( 0.773 0.063 -1.761) 1.924 8.078 ( 13.282 -20.057 0.536) 24.062 8.728 ( -19.473 -10.833 -1.749) 22.352 9.270 ( 19.741 13.142 0.127) 23.716 10.143 ( -8.413 9.998 -4.770) 13.910 14.004 ( 4.590 -1.468 -1.099) 4.942 14.695 ( -13.091 11.668 1.088) 17.570 14.911 ( 1.018 12.776 0.016) 12.817 15.361 ( -2.235 3.966 -4.768) 6.592 15.846 ( -2.139 2.432 -1.191) 3.451 16.948 ( 0.049 0.924 0.026) 0.926 17.321 ( 2.339 -7.057 1.610) 7.607 18.823 ( -1.130 -0.045 -14.924) 14.967 18.975 ( 0.381 -0.591 -0.165) 0.723 19.067 ( -0.269 0.537 0.748) 0.960 19.120 ( 1.464 1.651 -0.383) 2.240 19.238 ( 2.167 -5.367 0.755) 5.837 ======================= Grid point 36 (29/226) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -11.214 10.999 13.104) 20.456 1.704 ( -1.057 22.390 8.558) 23.993 3.139 ( 1.684 2.691 -2.243) 3.887 3.175 ( -3.237 -9.666 -2.425) 10.478 3.529 ( 7.257 29.540 3.237) 30.590 4.141 ( 4.214 -10.686 -7.469) 13.702 4.443 ( 10.427 -4.325 5.184) 12.422 4.510 ( -1.597 -2.335 -5.089) 5.822 5.006 ( -7.654 8.290 5.988) 12.773 5.181 ( -7.025 -0.152 1.317) 7.150 6.200 ( 1.864 5.373 0.732) 5.734 6.269 ( -1.923 3.095 0.919) 3.758 7.026 ( 1.683 -6.464 -0.529) 6.700 7.822 ( -0.252 1.035 -1.452) 1.801 8.022 ( -0.586 -24.795 -0.231) 24.803 8.425 ( 0.792 -6.566 -0.072) 6.614 9.620 ( 0.814 12.307 0.951) 12.371 10.105 ( 0.904 8.231 -4.424) 9.388 14.078 ( 3.512 -1.045 0.003) 3.664 14.628 ( -3.761 8.808 -1.257) 9.660 15.023 ( -3.295 14.195 -0.390) 14.578 15.425 ( 4.628 8.559 -2.779) 10.119 15.823 ( -2.159 2.465 -1.884) 3.780 16.956 ( -0.765 -1.376 4.481) 4.750 17.275 ( -0.246 -8.339 2.534) 8.719 18.680 ( -5.126 0.177 -14.875) 15.735 18.972 ( 0.229 -0.832 -0.117) 0.870 19.055 ( -0.818 -0.261 -0.135) 0.869 19.143 ( 0.260 0.695 0.933) 1.192 19.297 ( 6.478 -2.949 -1.473) 7.268 ======================= Grid point 37 (30/226) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 8.499 14.414 9.840) 19.412 2.005 ( 7.669 22.819 1.226) 24.105 3.030 ( -4.659 -7.432 4.432) 9.828 3.102 ( -2.757 -2.053 -0.952) 3.567 3.834 ( 7.158 -2.996 5.019) 9.241 4.114 ( 5.353 1.122 -12.923) 14.032 4.427 ( -2.196 0.349 -1.988) 2.983 4.743 ( 13.590 11.112 0.469) 17.561 4.981 ( -9.367 7.738 11.363) 16.635 5.002 ( -9.636 -0.265 -3.761) 10.347 6.260 ( -1.102 1.285 0.329) 1.725 6.326 ( 4.694 6.072 0.600) 7.698 6.982 ( 1.112 -7.467 -0.587) 7.572 7.630 ( -12.308 -22.602 -0.775) 25.748 7.861 ( 1.045 3.387 0.623) 3.599 8.523 ( 15.817 -11.006 0.001) 19.269 9.528 ( -19.724 10.570 -0.645) 22.387 10.306 ( 11.119 7.192 -1.764) 13.359 14.045 ( -4.693 -2.033 -0.317) 5.124 14.771 ( 11.803 5.340 -1.473) 13.038 15.115 ( -1.859 16.643 -0.958) 16.774 15.592 ( 2.859 10.772 -0.331) 11.150 15.821 ( 1.375 2.338 -2.352) 3.591 16.921 ( -3.173 -5.715 7.769) 10.153 17.175 ( -3.086 -9.725 3.984) 10.953 18.557 ( -2.548 3.830 -14.115) 14.845 18.966 ( 0.177 -1.156 0.021) 1.170 19.039 ( -0.578 -0.350 -0.152) 0.693 19.154 ( 0.040 -0.085 0.558) 0.565 19.335 ( 2.833 -3.402 -2.492) 5.081 ======================= Grid point 38 (31/226) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 10.502 16.918 8.051) 21.478 2.379 ( 8.982 18.540 -3.303) 20.864 2.929 ( -2.382 -2.791 8.037) 8.835 3.085 ( 2.591 3.230 -1.823) 4.524 3.808 ( 4.919 -20.885 2.349) 21.585 4.179 ( 4.378 1.698 -9.176) 10.307 4.413 ( -1.281 3.022 -1.089) 3.459 4.723 ( -10.921 -6.591 -1.759) 12.876 4.805 ( -8.064 2.928 -0.309) 8.585 5.331 ( 13.565 25.295 6.190) 29.363 6.248 ( -0.894 0.131 0.242) 0.936 6.477 ( 5.712 4.958 0.548) 7.584 6.898 ( -0.928 -10.354 -1.157) 10.460 7.195 ( -13.543 -20.077 0.836) 24.232 7.957 ( 3.429 7.335 0.902) 8.147 8.666 ( 12.880 -11.546 -0.304) 17.300 9.266 ( -19.029 6.634 -1.211) 20.188 10.519 ( 6.953 6.007 -0.567) 9.206 13.929 ( -4.801 -3.175 -0.825) 5.815 15.019 ( 11.471 3.174 -1.088) 11.952 15.299 ( 4.863 17.051 -0.757) 17.747 15.671 ( -2.584 6.569 -0.785) 7.103 15.917 ( 5.556 5.195 -0.588) 7.629 16.819 ( -5.595 -7.734 7.856) 12.363 17.029 ( -5.243 -9.442 3.802) 11.450 18.538 ( 1.348 6.673 -10.503) 12.516 18.954 ( 0.047 -1.988 0.054) 1.989 19.029 ( -0.324 0.010 -0.118) 0.345 19.143 ( -0.714 -0.990 -0.411) 1.288 19.311 ( 0.315 -4.105 -1.857) 4.517 ======================= Grid point 39 (32/226) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( 4.630 7.046 0.149) 8.433 2.499 ( 0.187 7.852 7.776) 11.052 2.975 ( -9.920 20.559 -0.274) 22.829 3.319 ( 20.699 2.631 -1.386) 20.912 3.686 ( 2.135 -15.195 -0.478) 15.351 4.085 ( -11.329 -6.747 -1.165) 13.238 4.442 ( 4.850 0.843 -1.523) 5.153 4.554 ( -1.116 -4.383 -2.813) 5.327 4.703 ( -4.597 0.285 0.345) 4.619 5.811 ( 13.972 19.941 1.736) 24.410 6.245 ( 0.320 0.024 1.143) 1.187 6.544 ( -2.307 -9.230 -1.621) 9.652 6.725 ( -4.114 -7.612 3.927) 9.502 6.889 ( -5.737 -6.358 -2.007) 8.796 8.109 ( 4.121 8.340 0.643) 9.325 8.673 ( -6.192 0.984 -0.252) 6.275 9.079 ( -0.389 -7.772 -0.729) 7.816 10.645 ( 2.264 4.509 -0.123) 5.047 13.835 ( -1.844 -3.596 -0.569) 4.081 15.188 ( 4.097 6.250 -0.873) 7.524 15.550 ( 7.877 9.453 -0.363) 12.310 15.665 ( -2.066 2.209 -1.100) 3.218 16.050 ( 3.473 5.210 0.695) 6.300 16.675 ( -6.785 -6.154 4.764) 10.325 16.877 ( -4.772 -6.095 2.400) 8.104 18.618 ( 4.206 7.609 -5.056) 10.058 18.928 ( 0.020 -3.498 -0.248) 3.507 19.028 ( -0.034 0.509 0.101) 0.520 19.112 ( -1.094 -1.088 -1.407) 2.088 19.263 ( 0.109 -4.637 -0.282) 4.647 ======================= Grid point 40 (33/226) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.320 ( -4.033 -4.659 3.169) 6.930 2.672 ( -3.922 7.764 -2.591) 9.075 3.075 ( 3.726 20.695 3.292) 21.284 3.514 ( -4.661 6.407 -2.752) 8.387 3.548 ( -15.502 -6.960 -1.378) 17.049 3.871 ( 8.292 -12.260 2.249) 14.971 4.502 ( -2.225 -1.899 0.865) 3.050 4.565 ( 9.569 -0.796 -2.402) 9.898 4.703 ( 5.240 -0.020 -0.721) 5.289 6.098 ( -6.922 1.260 2.083) 7.338 6.253 ( 3.784 -7.892 -3.027) 9.261 6.345 ( 4.713 4.371 1.677) 6.643 6.672 ( -3.197 -3.964 0.558) 5.123 6.828 ( 1.562 1.494 -1.103) 2.426 8.183 ( -4.877 2.832 0.337) 5.650 8.606 ( -5.960 14.871 0.503) 16.028 9.051 ( 9.499 -16.774 -0.122) 19.277 10.683 ( -1.717 2.500 0.100) 3.034 13.799 ( 1.404 -2.698 0.090) 3.043 15.265 ( -2.076 6.444 -0.571) 6.795 15.632 ( -2.384 -1.092 -0.327) 2.643 15.688 ( 1.832 0.527 1.043) 2.173 16.134 ( 0.852 4.143 -0.505) 4.259 16.537 ( -5.479 -2.587 0.717) 6.101 16.806 ( 0.082 -1.131 0.775) 1.373 18.761 ( 4.782 8.026 -0.491) 9.356 18.888 ( 0.916 -5.207 -1.301) 5.444 19.039 ( 0.367 0.883 0.620) 1.140 19.078 ( -0.993 -0.499 -1.643) 1.984 19.233 ( 1.539 -4.562 1.335) 4.996 ======================= Grid point 41 (34/226) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -11.864 0.972 3.209) 12.328 2.577 ( -1.459 -2.735 -7.872) 8.461 3.028 ( -22.904 -18.990 -2.439) 29.853 3.406 ( -10.807 21.618 -2.303) 24.278 3.517 ( 10.651 13.450 7.133) 18.580 3.967 ( 12.109 -14.334 4.187) 19.226 4.446 ( -4.948 0.416 4.744) 6.868 4.681 ( 6.822 -2.258 -1.592) 7.360 4.824 ( 6.694 2.609 -6.536) 9.713 5.750 ( -24.164 -2.245 1.023) 24.289 6.290 ( 2.993 0.188 -2.752) 4.070 6.501 ( -3.071 -1.625 2.181) 4.102 6.722 ( 20.008 1.130 -1.581) 20.102 6.888 ( 3.347 1.658 0.332) 3.750 8.053 ( -9.986 0.499 1.246) 10.076 8.716 ( 3.433 2.963 -0.900) 4.623 9.074 ( 6.704 -3.426 0.853) 7.577 10.640 ( -4.923 -0.023 0.297) 4.932 13.829 ( 3.759 -0.663 0.737) 3.888 15.232 ( -5.899 1.092 -0.694) 6.039 15.537 ( -8.913 0.454 0.302) 8.930 15.657 ( -3.174 -3.927 1.871) 5.385 16.135 ( -3.962 2.384 -2.184) 5.114 16.484 ( 1.238 0.297 -0.705) 1.455 16.865 ( 6.353 0.947 -0.562) 6.447 18.838 ( 0.322 -2.310 -3.318) 4.056 18.912 ( 4.023 3.368 1.196) 5.382 19.050 ( -0.676 0.501 -0.899) 1.231 19.076 ( 1.800 1.265 1.156) 2.485 19.243 ( 3.132 -3.480 2.848) 5.480 ======================= Grid point 42 (35/226) ======================= q-point: (-0.18 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -22.280 6.271 -0.447) 23.150 2.266 ( -22.466 -23.198 -6.599) 32.961 2.739 ( 8.289 -2.607 -1.373) 8.797 3.352 ( -8.496 10.686 0.309) 13.655 3.941 ( 10.105 18.830 7.730) 22.725 4.030 ( 10.547 -15.271 3.248) 18.842 4.404 ( -5.262 2.734 8.217) 10.133 4.706 ( -3.531 -1.880 0.733) 4.067 4.839 ( -0.193 -0.842 -12.540) 12.570 5.359 ( -20.218 4.387 -1.955) 20.781 6.311 ( -0.111 1.543 -2.637) 3.057 6.411 ( -6.004 -0.464 3.375) 6.903 6.956 ( 4.017 -0.577 2.963) 5.025 7.154 ( 27.796 0.868 -1.765) 27.865 7.913 ( -6.686 -0.802 0.501) 6.752 8.680 ( 3.869 -19.212 -1.829) 19.683 9.253 ( 3.365 18.839 0.917) 19.159 10.523 ( -7.423 -2.933 0.340) 7.989 13.911 ( 4.567 1.761 1.054) 5.007 15.076 ( -8.598 -7.303 -1.472) 11.377 15.367 ( -14.907 7.577 -0.246) 16.724 15.565 ( -4.141 -2.557 1.490) 5.090 16.040 ( -6.736 0.504 -2.614) 7.243 16.573 ( 8.385 -0.275 1.020) 8.452 17.001 ( 9.000 0.000 -0.717) 9.028 18.801 ( 1.213 -2.964 -5.921) 6.732 18.973 ( 0.634 1.126 0.574) 1.414 19.047 ( -0.099 1.240 -0.876) 1.522 19.132 ( 1.436 0.722 1.105) 1.951 19.306 ( 4.350 -0.280 4.597) 6.335 ======================= Grid point 43 (36/226) ======================= q-point: (-0.09 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -24.070 -1.491 1.870) 24.188 1.659 ( -21.512 -3.278 -6.419) 22.687 2.921 ( 13.149 -1.843 -1.129) 13.325 3.363 ( 0.077 4.633 3.069) 5.558 4.023 ( -12.948 -2.084 6.307) 14.552 4.101 ( -6.892 4.455 0.473) 8.220 4.421 ( -0.779 1.830 7.434) 7.695 4.619 ( 4.079 5.805 -0.173) 7.097 4.760 ( 0.438 -6.321 -7.998) 10.204 5.180 ( -8.055 6.289 -3.228) 10.717 6.282 ( -4.581 2.093 -0.102) 5.037 6.344 ( -4.535 1.851 2.504) 5.501 7.022 ( 3.666 -1.875 2.509) 4.822 7.629 ( 28.297 -0.331 -0.353) 28.301 7.824 ( -2.360 -1.332 -1.263) 2.990 8.512 ( 1.852 -21.549 -1.804) 21.704 9.492 ( 0.315 20.734 0.078) 20.736 10.343 ( -9.068 -5.050 -0.293) 10.383 14.012 ( 3.646 2.793 0.748) 4.653 14.821 ( -10.959 -6.482 -2.150) 12.913 15.198 ( -15.159 9.397 -0.100) 17.835 15.498 ( -3.417 1.134 -0.132) 3.603 15.923 ( -5.276 -0.051 -2.115) 5.684 16.738 ( 10.723 -2.606 3.421) 11.554 17.142 ( 8.829 -1.986 0.018) 9.050 18.767 ( 1.656 -1.402 -8.553) 8.824 18.986 ( 0.315 0.192 -0.222) 0.430 19.057 ( 0.152 1.233 -0.325) 1.284 19.133 ( -0.976 -1.173 0.148) 1.533 19.399 ( 3.070 0.486 3.580) 4.741 ======================= Grid point 45 (37/226) ======================= q-point: ( 0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -10.665 15.288 11.624) 21.967 1.899 ( 7.771 31.181 -2.015) 32.198 2.964 ( 2.623 -6.503 2.778) 7.543 3.405 ( -1.507 -4.179 5.256) 6.882 3.684 ( -12.310 -4.992 1.481) 13.366 3.956 ( -7.504 4.654 -10.780) 13.934 4.396 ( -1.117 -10.189 -5.850) 11.802 4.597 ( -3.083 4.468 1.241) 5.569 5.035 ( 8.228 5.839 2.212) 10.329 5.293 ( -9.464 9.614 7.306) 15.342 6.292 ( -5.130 3.461 0.381) 6.200 6.385 ( -3.666 2.442 1.644) 4.702 6.996 ( 2.042 -4.975 0.449) 5.397 7.644 ( 15.937 -24.056 -0.442) 28.860 7.785 ( 0.511 2.064 -1.105) 2.396 8.457 ( 18.822 9.270 -1.159) 21.013 9.495 ( -17.970 -10.169 -1.176) 20.681 10.307 ( -1.387 10.942 -1.735) 11.166 13.974 ( -1.994 -5.018 -1.607) 5.634 14.826 ( 2.083 12.743 -0.455) 12.920 15.190 ( -14.195 8.132 0.580) 16.369 15.513 ( -5.263 3.650 -2.854) 7.012 15.888 ( -0.896 3.821 -1.739) 4.293 16.858 ( 6.221 -4.701 8.829) 11.779 17.161 ( 6.902 -6.913 2.243) 10.023 18.688 ( 4.023 2.803 -12.282) 13.225 18.984 ( 0.019 0.374 -0.841) 0.921 19.076 ( -1.054 -0.667 0.339) 1.293 19.085 ( 0.190 0.299 0.324) 0.480 19.334 ( -3.337 -5.201 -1.857) 6.452 ======================= Grid point 46 (38/226) ======================= q-point: ( 0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -5.590 16.708 12.176) 21.416 2.260 ( -10.945 25.192 6.910) 28.323 2.926 ( 4.221 -8.287 1.944) 9.501 3.293 ( -7.607 -3.231 -6.175) 10.316 3.532 ( -6.100 20.173 4.127) 21.475 3.938 ( 7.965 -7.006 -10.306) 14.790 4.243 ( -0.843 -12.002 -1.241) 12.096 4.587 ( -2.656 2.239 -0.903) 3.589 5.193 ( 3.661 4.171 -0.274) 5.557 5.283 ( -6.880 7.345 10.087) 14.249 6.257 ( -3.958 5.047 0.216) 6.418 6.350 ( -3.115 1.369 1.035) 3.557 6.968 ( 1.597 -6.523 -0.973) 6.786 7.654 ( 13.271 -22.506 0.662) 26.135 7.816 ( 0.520 2.752 -0.941) 2.955 8.837 ( 4.616 -0.447 -1.187) 4.787 9.130 ( -1.768 -0.027 -0.785) 1.935 10.346 ( -5.688 9.835 -2.032) 11.542 13.919 ( 1.994 -3.085 -1.419) 3.938 14.989 ( -3.187 7.880 -0.904) 8.548 15.061 ( -8.199 16.473 1.334) 18.449 15.436 ( -5.022 2.768 -2.833) 6.396 15.904 ( -1.576 4.575 -2.189) 5.311 16.934 ( 2.869 -3.857 8.391) 9.670 17.198 ( 4.730 -8.366 3.225) 10.137 18.720 ( 3.784 2.641 -16.528) 17.160 18.976 ( -0.714 -0.220 -0.235) 0.784 19.080 ( 0.697 0.820 1.615) 1.941 19.092 ( 0.922 0.056 -1.242) 1.548 19.208 ( -3.128 -5.779 0.004) 6.571 ======================= Grid point 47 (39/226) ======================= q-point: ( 0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -9.797 13.334 11.191) 19.975 2.080 ( -20.876 13.018 8.104) 25.903 2.988 ( 7.870 -5.680 -1.482) 9.818 3.147 ( -3.810 -3.627 -1.213) 5.399 3.814 ( 0.520 21.513 -0.116) 21.519 3.919 ( 5.596 -2.790 -10.615) 12.320 4.216 ( 12.108 -4.811 2.724) 13.310 4.533 ( -4.127 0.227 -2.047) 4.612 5.230 ( -2.341 2.879 -2.414) 4.426 5.287 ( -7.202 6.314 10.968) 14.561 6.264 ( -1.962 5.857 1.288) 6.310 6.326 ( -1.711 1.785 -0.320) 2.493 6.923 ( 1.885 -7.185 -1.325) 7.545 7.652 ( 11.333 -23.639 0.292) 26.217 7.841 ( -0.145 2.704 -0.430) 2.741 8.517 ( -15.924 -9.420 -1.481) 18.561 9.509 ( 20.930 10.729 0.544) 23.526 10.282 ( -10.226 7.686 -2.088) 12.962 13.971 ( 6.487 -0.963 -0.625) 6.588 14.841 ( -12.687 4.492 -1.570) 13.550 15.218 ( -2.133 15.930 0.896) 16.097 15.429 ( 2.160 7.213 -1.655) 7.710 15.893 ( -3.246 4.262 -2.741) 6.018 16.966 ( 0.679 -4.384 8.150) 9.279 17.190 ( 2.181 -9.183 4.518) 10.464 18.669 ( -1.908 1.825 -17.358) 17.558 18.962 ( -0.170 -0.937 0.191) 0.971 19.069 ( -1.281 -0.286 -0.724) 1.499 19.137 ( 1.562 -0.036 -0.150) 1.569 19.172 ( 4.191 -2.245 1.276) 4.923 ======================= Grid point 48 (40/226) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -6.787 5.581 6.417) 10.881 2.181 ( -1.289 20.167 3.932) 20.588 3.034 ( 0.436 -4.145 0.885) 4.261 3.075 ( 1.692 -4.454 4.540) 6.581 3.727 ( -0.732 -14.723 -2.116) 14.892 4.024 ( 2.247 6.677 -8.173) 10.790 4.449 ( -2.226 -0.007 -4.027) 4.601 4.617 ( 17.362 16.335 2.008) 23.923 5.129 ( -7.891 -3.370 -2.627) 8.974 5.301 ( -8.685 15.657 10.408) 20.710 6.299 ( -1.211 2.231 1.112) 2.772 6.337 ( 0.906 5.344 -0.446) 5.438 6.879 ( 1.722 -7.449 -1.169) 7.734 7.508 ( -0.342 -26.294 -0.773) 26.308 7.876 ( 1.106 3.873 0.478) 4.056 8.288 ( -0.169 -7.150 -0.660) 7.183 9.837 ( 0.210 8.829 0.820) 8.869 10.208 ( 0.784 5.465 -1.993) 5.870 14.057 ( 2.601 -0.996 -0.181) 2.791 14.719 ( -2.628 3.070 -2.223) 4.612 15.298 ( -2.887 12.958 0.114) 13.277 15.615 ( 6.791 11.425 0.642) 13.306 15.857 ( -3.569 3.365 -3.110) 5.808 16.945 ( -1.647 -6.085 7.181) 9.556 17.137 ( -0.716 -9.800 5.882) 11.452 18.571 ( -2.631 4.051 -14.141) 14.943 18.952 ( 0.108 -1.233 0.066) 1.240 19.045 ( -0.707 -0.413 -0.437) 0.928 19.148 ( 0.500 -1.242 1.646) 2.122 19.237 ( 4.218 -1.277 -2.470) 5.052 ======================= Grid point 49 (41/226) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 17.944 8.651 4.284) 20.376 2.378 ( 2.851 16.701 -2.700) 17.156 2.941 ( -5.034 -7.241 10.481) 13.697 3.155 ( 3.833 5.355 -1.088) 6.675 3.562 ( 1.103 -18.309 0.155) 18.343 4.075 ( 3.675 2.078 -6.922) 8.107 4.421 ( 0.650 0.661 -2.240) 2.425 4.862 ( -8.424 -2.194 -0.783) 8.740 4.931 ( -4.096 1.924 -1.586) 4.795 5.492 ( 2.057 27.684 6.873) 28.598 6.284 ( -2.099 0.840 0.901) 2.433 6.435 ( 4.100 3.940 -0.620) 5.720 6.811 ( -0.449 -8.256 -0.767) 8.304 7.185 ( -7.713 -21.312 -0.198) 22.666 7.966 ( 3.465 5.784 1.185) 6.845 8.316 ( 11.748 -9.768 -0.596) 15.290 9.686 ( -20.600 6.174 -0.716) 21.517 10.402 ( 11.777 3.767 -0.505) 12.375 14.000 ( -6.044 -1.780 -0.911) 6.366 14.824 ( 11.419 2.046 -0.917) 11.637 15.403 ( 0.979 12.335 -0.681) 12.393 15.779 ( -3.494 6.104 -2.111) 7.343 15.865 ( 6.225 4.594 1.419) 7.865 16.869 ( -4.032 -6.036 5.941) 9.380 17.038 ( -3.464 -8.043 4.431) 9.814 18.540 ( 0.102 5.830 -9.003) 10.726 18.939 ( -0.215 -1.596 0.142) 1.617 19.033 ( -0.275 -0.099 -0.218) 0.365 19.141 ( -0.552 -1.768 1.063) 2.135 19.253 ( 1.433 -2.186 -3.054) 4.020 ======================= Grid point 50 (42/226) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 7.619 8.228 2.175) 11.423 2.548 ( 7.996 6.876 -1.702) 10.682 2.981 ( 13.445 2.663 7.575) 15.660 3.226 ( -3.973 6.364 -6.388) 9.854 3.454 ( 7.694 -16.224 5.023) 18.645 4.099 ( 0.267 -1.605 -5.915) 6.135 4.441 ( -0.075 0.080 0.765) 0.773 4.591 ( -10.700 -4.373 -0.486) 11.569 4.854 ( -9.531 2.893 0.238) 9.964 5.842 ( 6.736 20.324 -0.468) 21.417 6.271 ( -1.301 1.610 1.852) 2.777 6.467 ( -0.004 -8.170 -1.530) 8.312 6.732 ( -1.158 -1.898 2.241) 3.157 6.912 ( -5.773 -9.325 -0.341) 10.972 8.097 ( 4.904 4.509 0.532) 6.682 8.458 ( 15.289 -7.640 0.252) 17.094 9.350 ( -23.145 2.829 -1.275) 23.352 10.593 ( 7.529 1.845 -0.161) 7.753 13.870 ( -5.744 -1.887 -0.927) 6.117 15.059 ( 13.134 1.640 -0.081) 13.236 15.549 ( 4.232 8.619 -1.377) 9.700 15.719 ( -4.086 0.148 -2.565) 4.826 16.025 ( 5.141 2.431 3.775) 6.826 16.762 ( -6.078 -3.271 4.277) 8.120 16.927 ( -4.786 -2.274 0.752) 5.352 18.594 ( 3.463 4.948 -3.049) 6.766 18.912 ( -1.137 -1.829 0.143) 2.159 19.032 ( 0.100 0.369 0.012) 0.383 19.110 ( -1.063 -1.703 -0.321) 2.033 19.222 ( -0.226 -2.879 -2.033) 3.532 ======================= Grid point 51 (43/226) ======================= q-point: (-0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -4.089 -3.723 -1.773) 5.807 2.822 ( 2.368 13.852 5.864) 15.227 3.099 ( -2.256 -5.029 -4.854) 7.344 3.412 ( 22.733 3.439 0.301) 22.994 3.550 ( 9.404 -1.611 2.186) 9.789 3.870 ( -16.529 -10.813 -2.544) 19.915 4.420 ( 3.962 -3.737 -1.222) 5.582 4.543 ( -1.142 5.206 2.005) 5.695 4.724 ( -7.589 2.764 1.084) 8.149 6.053 ( 7.193 2.120 -5.652) 9.390 6.259 ( -4.789 -3.050 3.253) 6.544 6.375 ( -0.915 4.419 1.908) 4.899 6.688 ( -3.542 -4.272 -0.213) 5.554 6.836 ( -0.482 2.973 0.281) 3.025 8.192 ( 4.029 -1.786 -0.412) 4.426 8.688 ( 14.734 2.047 1.422) 14.943 8.979 ( -20.048 -1.653 -1.388) 20.164 10.686 ( 2.752 -0.307 -0.086) 2.770 13.785 ( -2.019 -0.926 -0.321) 2.244 15.254 ( 7.412 1.191 0.184) 7.509 15.633 ( -2.246 -3.871 -1.361) 4.678 15.667 ( 3.364 1.929 -0.632) 3.929 16.114 ( 3.305 -1.094 2.463) 4.265 16.652 ( -7.483 1.040 2.269) 7.888 16.853 ( -4.251 3.683 -2.385) 6.110 18.705 ( 6.005 0.036 2.254) 6.414 18.875 ( -1.683 1.274 -1.075) 2.368 19.043 ( 0.396 0.660 0.479) 0.907 19.079 ( -0.655 -0.559 -1.397) 1.640 19.183 ( 0.141 -3.197 -0.434) 3.229 ======================= Grid point 53 (44/226) ======================= q-point: (-0.27 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 0.652 -2.128 -0.311) 2.247 2.731 ( -16.362 2.883 -3.016) 16.885 3.063 ( -8.120 -18.067 -0.393) 19.812 3.516 ( 5.949 -7.225 2.666) 9.731 3.662 ( 4.585 6.202 -1.279) 7.818 3.748 ( 0.599 5.671 1.189) 5.825 4.463 ( 5.818 -4.490 -1.807) 7.568 4.601 ( -0.734 6.537 3.613) 7.505 4.724 ( 3.683 3.921 -1.163) 5.504 6.054 ( -5.783 -4.875 2.140) 7.861 6.214 ( 1.092 4.605 -0.637) 4.776 6.478 ( 4.110 6.102 -0.562) 7.379 6.587 ( -2.394 -2.153 -1.824) 3.700 6.870 ( 0.832 1.968 0.728) 2.257 8.176 ( -2.588 -4.122 0.108) 4.868 8.647 ( -8.120 -13.449 -2.097) 15.849 9.008 ( 10.768 15.369 1.713) 18.844 10.681 ( -1.432 -2.827 -0.004) 3.169 13.785 ( 1.877 1.161 0.345) 2.234 15.283 ( -2.615 -4.696 -0.006) 5.375 15.587 ( 1.032 -2.838 0.087) 3.021 15.683 ( -1.003 -1.650 1.121) 2.233 16.144 ( 1.531 -2.232 -1.286) 2.997 16.563 ( -6.845 4.190 1.086) 8.099 16.835 ( -1.039 4.912 -3.425) 6.077 18.750 ( 2.638 -7.330 1.588) 7.950 18.923 ( 1.919 6.541 -0.069) 6.817 19.059 ( -0.208 0.361 -0.640) 0.763 19.070 ( 0.811 1.784 -0.098) 1.962 19.177 ( 2.511 -2.353 1.518) 3.762 ======================= Grid point 54 (45/226) ======================= q-point: (-0.18 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -6.227 -6.253 -0.225) 8.828 2.401 ( -21.351 -5.391 -0.690) 22.031 2.614 ( -5.918 -12.377 -4.611) 14.473 3.624 ( -3.514 4.442 -0.942) 5.742 3.728 ( 3.512 -10.575 6.861) 13.086 3.905 ( 13.870 11.579 1.089) 18.100 4.492 ( 1.481 -1.136 -0.287) 1.888 4.664 ( 0.367 2.808 2.774) 3.964 4.826 ( 2.753 4.518 -5.925) 7.944 5.829 ( -23.114 7.990 3.016) 24.642 6.294 ( 3.245 2.683 -1.986) 4.655 6.501 ( -3.225 -1.610 4.195) 5.530 6.724 ( 19.445 1.421 -3.628) 19.831 6.914 ( 2.765 0.306 0.973) 2.947 8.042 ( -8.685 -2.697 0.763) 9.127 8.420 ( 1.121 -19.430 -3.038) 19.698 9.349 ( 8.362 19.385 1.045) 21.137 10.587 ( -4.840 -5.483 0.061) 7.314 13.866 ( 4.282 3.549 0.717) 5.607 15.117 ( -6.990 -9.969 -0.735) 12.198 15.561 ( -2.828 -1.564 1.145) 3.428 15.646 ( -4.370 2.717 1.013) 5.245 16.101 ( -2.534 -2.588 -3.231) 4.853 16.529 ( -1.690 3.252 1.513) 3.965 16.884 ( 4.231 2.396 -2.506) 5.470 18.721 ( 1.525 -4.876 -1.819) 5.423 18.978 ( 0.280 0.812 0.447) 0.968 19.058 ( -0.176 1.497 -1.320) 2.004 19.115 ( 1.564 0.806 0.487) 1.825 19.252 ( 5.046 1.673 3.376) 6.298 ======================= Grid point 55 (46/226) ======================= q-point: (-0.09 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -17.075 -19.713 -3.085) 26.261 2.112 ( -22.181 9.840 0.539) 24.272 2.680 ( 13.604 -1.276 -0.919) 13.694 3.524 ( -10.895 4.815 4.822) 12.850 3.756 ( 9.865 -14.678 1.652) 17.762 4.249 ( 13.645 4.808 1.150) 14.513 4.493 ( -0.256 0.703 -2.785) 2.884 4.676 ( -1.739 -0.878 1.786) 2.643 4.805 ( -8.077 7.580 -4.721) 12.041 5.531 ( -24.219 13.622 3.086) 27.958 6.346 ( 0.194 4.036 -1.494) 4.308 6.445 ( -4.512 -0.249 4.026) 6.052 6.958 ( 3.420 -1.815 2.351) 4.529 7.125 ( 27.643 -3.615 -1.914) 27.944 7.882 ( -6.876 -2.030 -0.247) 7.174 8.264 ( 3.436 -17.419 -3.070) 18.018 9.647 ( 4.053 18.257 0.215) 18.703 10.421 ( -7.196 -6.940 -0.151) 9.998 13.983 ( 4.030 4.032 0.542) 5.727 14.891 ( -7.460 -8.172 -1.562) 11.174 15.479 ( -7.850 1.855 1.134) 8.145 15.599 ( -6.026 6.027 -0.511) 8.538 15.994 ( -4.949 -1.697 -3.238) 6.153 16.594 ( 5.764 -0.579 4.702) 7.461 16.982 ( 7.281 -1.186 -0.990) 7.443 18.693 ( 1.188 -2.090 -5.019) 5.565 18.981 ( 0.094 -0.206 0.057) 0.233 19.065 ( 0.069 1.192 -0.815) 1.446 19.130 ( 0.103 -0.863 0.281) 0.913 19.365 ( 3.711 1.551 2.191) 4.580 ======================= Grid point 57 (47/226) ======================= q-point: ( 0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 17.645 27.305 0.280) 32.511 2.099 ( -13.848 8.454 2.970) 16.494 2.864 ( 9.807 -1.186 0.676) 9.902 3.493 ( 1.144 -9.860 5.438) 11.318 3.551 ( -8.345 0.825 3.124) 8.949 4.211 ( 2.466 -6.944 -4.629) 8.702 4.309 ( -12.463 1.451 -8.280) 15.033 4.696 ( -2.595 2.383 -0.371) 3.543 4.949 ( 5.373 0.448 1.191) 5.522 5.696 ( -18.809 14.168 6.641) 24.466 6.391 ( -4.053 -0.271 1.089) 4.206 6.467 ( -1.970 3.663 -1.055) 4.291 6.924 ( 1.209 -6.122 0.642) 6.273 7.101 ( 20.217 -20.594 -0.960) 28.874 7.840 ( -2.630 5.996 0.606) 6.575 8.240 ( 15.490 6.546 -1.149) 16.855 9.650 ( -13.847 -12.376 -0.859) 18.592 10.404 ( 1.443 10.072 -0.537) 10.189 13.959 ( -3.129 -5.399 -1.160) 6.347 14.886 ( 3.834 10.845 -0.405) 11.510 15.445 ( -7.495 4.769 -0.623) 8.906 15.639 ( -6.401 3.492 -2.031) 7.569 15.941 ( -1.349 5.068 -1.391) 5.426 16.734 ( 7.818 -5.093 8.466) 12.599 16.992 ( 6.086 -6.368 2.748) 9.228 18.627 ( 0.644 3.004 -7.809) 8.392 18.981 ( 0.253 0.420 -0.508) 0.705 19.071 ( 0.060 -0.242 -0.558) 0.612 19.105 ( -1.109 -0.326 1.201) 1.667 19.328 ( -2.933 -4.387 -2.057) 5.664 ======================= Grid point 58 (48/226) ======================= q-point: ( 0.18 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( -5.754 10.580 6.498) 13.684 2.508 ( 14.809 29.464 -0.599) 32.982 2.928 ( -5.026 1.460 4.279) 6.761 3.405 ( -7.556 -4.493 -1.692) 8.952 3.483 ( 6.755 -8.501 6.845) 12.835 4.021 ( -15.566 3.324 -8.487) 18.038 4.145 ( -0.826 -5.051 -3.296) 6.087 4.665 ( -3.081 2.568 -1.682) 4.349 5.069 ( 9.029 -3.216 -0.957) 9.632 5.601 ( -12.298 12.219 8.129) 19.148 6.340 ( -2.094 0.380 0.422) 2.170 6.437 ( -4.462 3.272 -1.200) 5.661 6.874 ( 1.303 -8.044 -0.533) 8.166 7.203 ( 15.529 -19.812 0.894) 25.189 7.873 ( -2.067 7.161 0.515) 7.472 8.627 ( 19.854 8.223 -0.399) 21.494 9.250 ( -15.904 -12.653 -1.429) 20.373 10.496 ( -1.964 9.081 -0.601) 9.311 13.866 ( -0.657 -4.280 -1.205) 4.495 15.070 ( 3.106 11.867 -0.572) 12.280 15.355 ( -9.602 8.617 -0.495) 12.911 15.552 ( -6.381 3.044 -1.058) 7.148 15.968 ( -1.415 6.255 -2.542) 6.899 16.845 ( 6.774 -6.516 8.170) 12.453 17.042 ( 6.066 -8.865 5.712) 12.166 18.636 ( 1.480 5.213 -12.584) 13.701 18.983 ( -0.344 -0.024 -0.454) 0.571 19.066 ( 0.291 -0.036 -0.812) 0.864 19.100 ( -0.243 -0.118 2.131) 2.148 19.204 ( -3.714 -6.022 -1.690) 7.274 ======================= Grid point 59 (49/226) ======================= q-point: ( 0.27 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -0.269 12.500 6.821) 14.243 2.663 ( -28.604 6.880 7.890) 30.459 2.858 ( 3.739 1.791 1.026) 4.271 3.234 ( -8.147 2.487 -3.281) 9.128 3.598 ( 9.834 -11.711 -5.934) 16.403 3.973 ( 12.429 5.141 1.705) 13.558 4.085 ( -4.110 8.111 -3.073) 9.599 4.613 ( -4.466 1.269 -2.192) 5.134 5.151 ( 6.493 -5.527 -2.906) 9.008 5.589 ( -8.755 12.545 9.135) 17.817 6.330 ( -0.043 0.536 -0.405) 0.673 6.395 ( -4.089 4.465 0.237) 6.059 6.817 ( 1.669 -7.438 -1.406) 7.752 7.244 ( 11.433 -20.003 0.781) 23.053 7.902 ( -2.475 6.311 0.357) 6.788 8.681 ( -14.680 -10.240 -1.684) 17.978 9.234 ( 20.768 7.011 0.298) 21.922 10.495 ( -6.981 6.698 -0.559) 9.690 13.862 ( 4.302 -1.697 -0.636) 4.668 15.075 ( -10.939 2.842 -1.536) 11.406 15.395 ( 0.369 15.389 0.439) 15.399 15.492 ( -4.013 4.465 0.371) 6.015 15.977 ( -2.769 5.838 -3.789) 7.491 16.907 ( 4.275 -6.887 5.424) 9.753 17.074 ( 4.274 -10.057 8.268) 13.703 18.633 ( -0.370 5.471 -15.382) 16.330 18.961 ( -0.859 -1.638 0.345) 1.881 19.072 ( 0.291 -0.492 -1.664) 1.760 19.103 ( -0.078 -0.448 -0.806) 0.925 19.128 ( 1.260 -2.445 3.634) 4.558 ======================= Grid point 60 (50/226) ======================= q-point: ( 0.36 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( -24.484 1.778 3.853) 24.849 2.410 ( -2.909 11.907 5.489) 13.430 2.925 ( 3.789 1.871 -1.790) 4.589 3.138 ( -6.142 -0.382 5.448) 8.218 3.523 ( 3.916 -15.061 -7.219) 17.155 4.037 ( -0.431 0.154 -0.575) 0.734 4.420 ( 10.571 11.390 -4.181) 16.092 4.557 ( 2.858 6.293 0.886) 6.968 5.141 ( 0.270 -5.662 -2.963) 6.396 5.644 ( -6.570 16.661 8.849) 19.976 6.335 ( -0.004 1.103 -0.828) 1.379 6.390 ( -1.820 3.304 1.188) 3.955 6.781 ( 1.929 -4.707 -1.486) 5.300 7.190 ( 6.372 -22.699 -0.670) 23.586 7.924 ( -1.596 5.655 0.613) 5.908 8.332 ( -12.092 -8.172 -1.501) 14.672 9.679 ( 21.218 5.894 0.733) 22.034 10.389 ( -11.324 4.471 -0.631) 12.191 13.956 ( 7.238 -0.228 0.051) 7.242 14.866 ( -12.395 0.649 -2.051) 12.580 15.459 ( -4.037 7.347 1.498) 8.516 15.617 ( 5.940 10.572 1.197) 12.186 15.949 ( -4.343 4.948 -4.651) 8.061 16.913 ( 1.732 -6.123 3.058) 7.060 17.068 ( 1.745 -9.880 8.177) 12.944 18.585 ( -2.158 4.583 -12.145) 13.159 18.940 ( -0.021 -1.574 0.378) 1.619 19.048 ( -0.612 -0.723 -0.800) 1.240 19.125 ( 2.123 -0.799 0.263) 2.284 19.166 ( 2.268 0.035 1.048) 2.499 ======================= Grid point 61 (51/226) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -2.154 1.284 1.496) 2.920 2.528 ( -1.376 11.611 0.161) 11.693 3.003 ( 1.483 -1.348 1.776) 2.678 3.083 ( 0.106 -0.485 5.913) 5.934 3.403 ( 0.795 -11.039 -4.886) 12.098 4.041 ( 0.465 1.284 -1.312) 1.894 4.410 ( -1.158 -0.608 -2.213) 2.571 4.865 ( 9.431 8.203 -0.194) 12.501 5.016 ( -7.157 -5.389 -1.397) 9.068 5.781 ( -2.580 19.235 5.195) 20.091 6.333 ( -1.742 1.301 1.041) 2.410 6.403 ( 1.607 -1.031 -1.150) 2.228 6.769 ( -0.207 0.047 -0.402) 0.455 7.027 ( 0.786 -19.747 -1.097) 19.793 7.979 ( 1.456 5.347 0.965) 5.625 8.144 ( -1.010 -6.396 -0.971) 6.547 9.962 ( -0.010 3.233 0.329) 3.250 10.269 ( 0.319 1.947 -0.543) 2.047 14.040 ( 0.948 -0.426 -0.113) 1.045 14.733 ( -0.937 0.573 -1.027) 1.504 15.485 ( -0.718 5.264 0.283) 5.320 15.815 ( 6.463 5.178 3.316) 8.920 15.882 ( -5.191 2.867 -4.508) 7.449 16.885 ( -0.786 -3.609 2.172) 4.284 17.029 ( -0.690 -5.731 4.109) 7.086 18.553 ( -0.689 3.313 -5.725) 6.650 18.930 ( -0.017 -0.933 0.131) 0.942 19.034 ( -0.217 -0.248 -0.268) 0.425 19.141 ( 0.055 -0.884 1.352) 1.617 19.198 ( 1.628 -0.411 -1.686) 2.380 ======================= Grid point 62 (52/226) ======================= q-point: (-0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 24.647 3.426 0.098) 24.884 2.553 ( -3.503 3.355 -4.626) 6.703 2.975 ( -0.633 -3.281 9.151) 9.743 3.190 ( 8.336 0.473 -3.701) 9.133 3.301 ( -3.118 -2.906 0.282) 4.272 4.055 ( 1.023 0.050 -2.541) 2.740 4.427 ( 2.435 0.988 1.492) 3.022 4.747 ( -13.540 -8.208 0.118) 15.834 5.007 ( -1.917 5.247 1.032) 5.680 5.913 ( 1.533 4.791 -3.063) 5.889 6.335 ( -1.840 3.972 2.128) 4.867 6.387 ( 1.091 -4.465 -1.165) 4.741 6.769 ( -2.000 1.054 0.951) 2.452 6.896 ( -1.220 -2.050 0.235) 2.397 8.040 ( 2.824 -2.742 -0.332) 3.950 8.198 ( 10.786 1.626 0.811) 10.938 9.742 ( -21.082 0.233 -0.745) 21.096 10.434 ( 11.799 -0.368 0.025) 11.805 13.966 ( -7.007 -0.836 -0.707) 7.092 14.848 ( 11.998 0.806 0.675) 12.044 15.534 ( 2.654 1.865 -1.581) 3.608 15.772 ( -5.192 -2.606 -3.086) 6.578 15.966 ( 5.511 -0.609 5.178) 7.587 16.845 ( -3.226 0.372 1.852) 3.739 16.989 ( -2.510 2.376 -2.068) 4.028 18.571 ( 1.836 0.431 1.223) 2.248 18.921 ( -0.570 0.112 -0.066) 0.585 19.034 ( 0.152 0.297 0.106) 0.350 19.122 ( -1.758 -0.951 0.901) 2.192 19.193 ( -0.015 -1.051 -2.404) 2.624 ======================= Grid point 64 (53/226) ======================= q-point: (-0.36 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( -3.349 -5.161 -2.814) 6.765 2.691 ( 25.868 7.385 -4.464) 27.270 3.009 ( 5.819 -10.292 1.214) 11.885 3.275 ( -3.855 7.425 6.213) 10.420 3.322 ( 11.302 -0.941 -1.418) 11.430 4.001 ( -7.635 -2.289 -3.755) 8.811 4.359 ( -6.722 -12.746 2.651) 14.652 4.581 ( 2.050 2.235 1.243) 3.278 4.972 ( -9.786 7.830 3.077) 12.906 5.900 ( 4.425 -8.778 -7.305) 12.248 6.314 ( -2.245 -0.627 2.455) 3.385 6.427 ( 1.945 4.889 -0.444) 5.280 6.716 ( -2.954 -1.069 0.843) 3.253 6.930 ( -3.565 11.059 0.728) 11.642 8.052 ( 5.079 -7.331 -0.961) 8.970 8.480 ( 15.354 7.529 1.669) 17.182 9.340 ( -23.765 -2.748 -0.915) 23.941 10.585 ( 7.536 -2.636 -0.020) 7.984 13.844 ( -5.592 -0.054 -0.293) 5.600 15.082 ( 13.047 0.155 1.172) 13.100 15.585 ( 4.197 -2.046 -2.391) 5.246 15.631 ( -3.748 -7.720 -1.029) 8.643 16.042 ( 3.891 -4.707 4.987) 7.884 16.802 ( -5.555 4.504 0.917) 7.210 16.967 ( -4.101 8.373 -6.703) 11.483 18.625 ( 3.541 -4.050 7.396) 9.146 18.917 ( -0.825 2.712 -0.770) 2.937 19.046 ( 0.413 0.748 0.637) 1.066 19.086 ( -1.515 -0.174 -0.306) 1.555 19.161 ( -0.830 -1.448 -2.105) 2.686 ======================= Grid point 65 (54/226) ======================= q-point: (-0.27 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -1.621 -4.709 -3.873) 6.309 2.888 ( -4.417 -10.661 -2.922) 11.904 3.131 ( 8.551 11.721 2.419) 14.708 3.207 ( -3.299 -18.301 0.668) 18.608 3.576 ( 12.694 -3.315 -3.459) 13.568 3.801 ( -3.701 9.435 1.445) 10.237 4.265 ( 6.493 -10.521 1.019) 12.405 4.656 ( 1.981 1.851 1.951) 3.340 4.900 ( -10.509 10.522 3.801) 15.349 5.879 ( 8.408 -9.317 -5.854) 13.847 6.305 ( -1.102 2.433 2.165) 3.438 6.488 ( 2.671 -0.806 0.593) 2.853 6.683 ( -5.518 8.628 -0.933) 10.284 6.945 ( -5.958 8.133 0.063) 10.083 8.052 ( 5.065 -9.460 -1.230) 10.801 8.733 ( -5.136 -1.651 0.100) 5.396 9.022 ( -1.045 7.832 0.911) 7.954 10.632 ( 2.646 -5.094 -0.017) 5.740 13.796 ( -1.084 1.975 0.397) 2.287 15.230 ( 3.718 -4.806 0.785) 6.127 15.508 ( 1.415 -7.797 0.475) 7.938 15.626 ( 4.441 -3.989 -0.956) 6.046 16.064 ( 2.782 -5.853 2.648) 7.001 16.750 ( -7.533 6.976 -0.845) 10.302 16.938 ( -5.147 9.185 -7.858) 13.138 18.657 ( 2.087 -7.625 8.677) 11.738 18.952 ( 0.933 4.023 -0.402) 4.149 19.059 ( 0.022 -0.029 0.700) 0.701 19.087 ( 0.302 3.866 -1.284) 4.084 19.132 ( 0.864 -1.558 -0.230) 1.796 ======================= Grid point 66 (55/226) ======================= q-point: (-0.18 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 4.087 -3.277 -1.660) 5.495 2.501 ( -16.681 -27.968 -2.172) 32.637 2.841 ( -18.629 1.138 0.381) 18.667 3.397 ( 11.433 -1.869 0.820) 11.614 3.678 ( 11.380 -1.581 -8.721) 14.425 3.953 ( -3.398 10.978 6.708) 13.306 4.352 ( 11.025 -6.135 2.565) 12.875 4.707 ( 1.742 1.061 0.615) 2.130 4.871 ( -5.114 8.166 0.974) 9.684 5.951 ( 11.408 -7.071 -2.674) 13.685 6.340 ( -0.732 5.275 1.503) 5.534 6.512 ( 1.270 -2.929 2.993) 4.376 6.668 ( -8.386 14.712 -3.808) 17.357 6.917 ( -2.696 2.805 0.375) 3.908 8.021 ( 3.370 -10.059 -1.529) 10.718 8.394 ( -16.347 -9.963 -0.404) 19.149 9.349 ( 13.210 16.741 1.269) 21.363 10.578 ( -1.595 -7.580 0.058) 7.746 13.848 ( 2.875 4.472 0.834) 5.382 15.113 ( -5.205 -11.605 0.096) 12.719 15.524 ( 3.890 -4.388 1.221) 5.990 15.665 ( 3.504 -1.335 1.076) 3.901 16.050 ( 1.616 -6.058 0.077) 6.270 16.674 ( -8.136 6.663 -2.607) 10.835 16.906 ( -3.509 6.854 -5.703) 9.582 18.649 ( 1.210 -5.952 5.044) 7.896 18.983 ( 0.066 0.249 0.417) 0.490 19.064 ( 0.174 0.320 -0.020) 0.365 19.107 ( 0.438 1.404 -1.725) 2.267 19.211 ( 4.704 4.144 2.879) 6.899 ======================= Grid point 67 (56/226) ======================= q-point: (-0.09 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -17.930 -23.044 -0.812) 29.209 2.407 ( 13.737 -2.283 -1.141) 13.972 2.567 ( -19.069 5.869 -0.294) 19.954 3.509 ( 6.662 -5.094 -0.112) 8.387 3.743 ( -1.886 -1.010 -0.684) 2.246 4.052 ( 5.875 5.968 1.398) 8.490 4.460 ( 4.401 -1.964 2.684) 5.516 4.708 ( -2.022 -0.456 -0.355) 2.103 4.896 ( -0.088 4.769 -2.055) 5.194 6.020 ( -4.179 3.942 0.824) 5.804 6.370 ( -2.506 6.293 0.012) 6.774 6.507 ( -0.453 -2.256 3.695) 4.353 6.718 ( 7.614 3.861 -3.328) 9.163 6.925 ( 1.046 0.235 0.509) 1.187 7.960 ( -0.927 -5.966 -0.754) 6.085 8.091 ( -6.397 -9.638 -1.114) 11.621 9.704 ( 8.865 15.255 0.509) 17.651 10.444 ( -4.452 -8.638 0.034) 9.718 13.963 ( 3.865 5.015 0.711) 6.371 14.907 ( -5.480 -9.633 -0.462) 11.092 15.532 ( 0.245 -1.898 1.070) 2.192 15.711 ( 0.359 1.739 1.184) 2.134 16.002 ( -0.727 -4.394 -1.439) 4.680 16.606 ( -3.841 3.470 -0.782) 5.235 16.905 ( 0.470 2.599 -2.638) 3.733 18.639 ( 0.931 -2.813 0.892) 3.094 18.980 ( -0.151 -0.371 0.254) 0.475 19.068 ( 0.081 0.401 -0.322) 0.521 19.121 ( 0.623 0.201 -0.355) 0.745 19.335 ( 3.457 3.001 1.946) 4.974 ======================= Grid point 137 (57/226) ======================= q-point: ( 0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( -0.000 0.000 23.031) 23.031 0.346 ( -0.000 0.000 23.031) 23.031 0.663 ( -0.000 0.000 43.999) 43.999 3.922 ( 0.000 -0.000 -6.619) 6.619 3.922 ( 0.000 -0.000 -6.619) 6.619 4.095 ( 0.000 -0.000 -2.418) 2.418 4.761 ( -0.000 0.000 3.877) 3.877 4.761 ( -0.000 0.000 3.877) 3.877 4.909 ( 0.000 -0.000 -1.529) 1.529 5.666 ( -0.000 0.000 1.090) 1.090 6.022 ( -0.000 0.000 0.344) 0.344 6.022 ( -0.000 0.000 0.344) 0.344 7.225 ( -0.000 0.000 0.335) 0.335 7.964 ( 0.000 -0.000 -2.951) 2.951 8.748 ( 0.000 -0.000 -0.398) 0.398 8.748 ( 0.000 -0.000 -0.398) 0.398 8.965 ( -0.000 0.000 0.202) 0.202 8.965 ( -0.000 0.000 0.202) 0.202 14.110 ( -0.000 0.000 0.349) 0.349 14.110 ( -0.000 0.000 0.349) 0.349 14.626 ( 0.000 -0.000 -0.865) 0.865 14.626 ( 0.000 -0.000 -0.865) 0.865 15.812 ( 0.000 -0.000 -0.156) 0.156 15.812 ( 0.000 -0.000 -0.156) 0.156 17.496 ( 0.000 -0.000 -0.211) 0.211 18.850 ( -0.000 0.000 0.161) 0.161 19.018 ( -0.000 0.000 0.224) 0.224 19.018 ( -0.000 0.000 0.224) 0.224 19.102 ( -0.000 0.000 0.403) 0.403 19.678 ( 0.000 -0.000 -0.258) 0.258 ======================= Grid point 138 (58/226) ======================= q-point: ( 0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 30.810 -13.385 9.896) 35.019 0.845 ( 7.898 4.582 31.528) 32.824 1.410 ( 40.852 36.007 15.967) 56.748 3.620 ( -12.904 -7.425 -8.923) 17.357 3.877 ( -8.533 2.551 -3.596) 9.605 4.258 ( 7.895 -0.956 -7.809) 11.145 4.676 ( -7.758 -0.443 3.270) 8.431 4.840 ( -1.610 0.015 8.752) 8.899 4.888 ( -15.189 -6.151 12.106) 20.374 4.933 ( 2.211 -6.903 4.607) 8.589 6.038 ( 1.110 2.110 0.350) 2.410 6.115 ( 5.307 -0.129 3.986) 6.638 7.201 ( -1.900 -0.889 0.107) 2.100 7.880 ( -2.460 -1.671 -2.529) 3.904 8.646 ( -4.664 -6.142 -0.774) 7.751 8.836 ( -12.022 -2.616 -0.553) 12.315 9.096 ( 8.757 6.782 -0.273) 11.080 9.645 ( 26.011 15.078 -22.567) 37.593 14.094 ( -2.086 1.673 -0.311) 2.693 14.211 ( 9.422 1.501 1.091) 9.603 14.655 ( 3.626 1.534 -1.389) 4.174 15.189 ( 13.533 7.830 -14.466) 21.301 15.819 ( 0.759 -0.667 -0.005) 1.010 16.465 ( 37.700 22.889 -37.292) 57.757 17.473 ( -2.024 -1.172 -0.150) 2.343 18.832 ( -0.749 -3.707 -3.932) 5.456 18.992 ( -1.369 -1.453 0.324) 2.023 19.028 ( 0.654 0.760 0.267) 1.037 19.101 ( -0.353 -0.213 0.502) 0.650 19.540 ( -8.364 -0.981 4.279) 9.446 ======================= Grid point 139 (59/226) ======================= q-point: ( 0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 27.499 -5.802 4.310) 28.433 1.178 ( 10.785 4.395 24.263) 26.913 2.519 ( 42.569 32.554 6.465) 53.978 3.308 ( -11.811 -4.467 -4.188) 13.304 3.694 ( -11.022 -1.373 -1.209) 11.172 4.220 ( -4.202 -2.202 -5.311) 7.121 4.597 ( -4.189 2.229 2.719) 5.469 4.687 ( -9.673 -3.044 4.340) 11.031 4.897 ( 3.444 -0.450 -2.909) 4.530 4.999 ( 7.616 -6.348 5.834) 11.504 6.110 ( 3.818 3.566 0.640) 5.263 6.236 ( 5.590 1.201 4.134) 7.055 7.149 ( -3.259 -0.903 0.532) 3.424 7.805 ( -2.301 -1.837 -3.383) 4.485 8.490 ( -1.792 -21.244 -0.617) 21.328 8.531 ( -22.711 8.195 -0.378) 24.147 9.331 ( 10.713 7.017 -0.202) 12.808 9.948 ( 11.106 7.478 -8.984) 16.124 14.071 ( -2.357 1.934 -0.568) 3.101 14.431 ( 12.329 2.624 0.472) 12.614 14.775 ( 8.599 4.661 -1.107) 9.844 15.326 ( 5.855 3.252 -5.934) 8.948 15.825 ( 0.857 -0.462 -0.531) 1.109 16.857 ( 11.338 7.042 -13.305) 18.846 17.403 ( -4.407 -2.566 0.728) 5.151 18.707 ( -2.386 -7.061 -9.844) 12.347 18.976 ( -0.071 0.103 -0.325) 0.348 19.054 ( 0.995 1.017 0.299) 1.453 19.093 ( -0.488 -0.143 0.234) 0.560 19.459 ( -4.793 2.728 0.901) 5.588 ======================= Grid point 140 (60/226) ======================= q-point: ( 0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 17.980 -4.996 1.197) 18.699 1.538 ( 14.472 6.758 15.164) 22.024 3.053 ( -3.534 -5.130 -1.329) 6.369 3.457 ( 8.497 4.178 1.922) 9.662 3.605 ( 16.036 24.511 0.634) 29.297 4.055 ( -12.767 0.009 -1.554) 12.861 4.525 ( -6.971 0.316 -5.768) 9.054 4.575 ( -1.404 0.425 3.252) 3.568 4.898 ( 3.294 -9.567 1.775) 10.272 5.136 ( 10.929 -1.010 3.491) 11.517 6.228 ( 5.358 3.561 0.510) 6.454 6.350 ( 4.109 1.678 2.752) 5.223 7.084 ( -4.222 -0.393 1.053) 4.369 7.749 ( -0.832 -0.631 -3.096) 3.267 8.060 ( -21.792 -14.501 0.413) 26.179 8.353 ( -8.078 -2.131 -1.545) 8.496 9.570 ( 9.829 6.157 0.038) 11.598 10.126 ( 7.065 5.169 -3.909) 9.587 14.049 ( -2.027 1.801 -0.599) 2.777 14.623 ( 8.121 1.399 -1.559) 8.386 15.037 ( 14.446 8.350 0.288) 16.688 15.422 ( 5.370 2.343 -3.105) 6.631 15.838 ( 1.455 0.431 -1.551) 2.170 16.939 ( -0.980 -1.319 4.010) 4.334 17.281 ( -7.107 -4.332 2.910) 8.818 18.568 ( 0.206 -3.733 -14.438) 14.914 18.976 ( 0.056 0.160 -0.565) 0.590 19.072 ( 0.581 -0.867 0.005) 1.044 19.092 ( -0.159 1.706 -0.298) 1.739 19.420 ( -3.143 2.556 -0.713) 4.113 ======================= Grid point 141 (61/226) ======================= q-point: ( 0.45 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 7.055 -5.160 0.589) 8.760 1.938 ( 16.689 9.543 7.626) 20.682 2.905 ( -7.057 -8.409 1.833) 11.130 3.504 ( 6.444 1.938 1.374) 6.868 3.793 ( -17.746 1.870 3.263) 18.140 4.191 ( 13.665 18.469 -5.512) 23.627 4.342 ( -8.933 -4.416 -9.263) 13.605 4.643 ( 4.937 2.726 1.255) 5.778 4.877 ( 3.573 -7.393 3.270) 8.838 5.437 ( 21.197 5.855 6.191) 22.846 6.344 ( 5.222 0.812 -0.702) 5.331 6.437 ( 2.422 3.125 2.083) 4.469 7.010 ( -4.436 -0.643 0.307) 4.493 7.480 ( -26.188 -14.802 -1.846) 30.138 7.783 ( 1.689 1.954 0.315) 2.602 8.183 ( -7.295 -4.631 -1.405) 8.754 9.765 ( 6.800 4.406 0.390) 8.112 10.250 ( 4.424 3.217 -1.726) 5.736 14.033 ( -1.346 1.436 -0.453) 2.020 14.728 ( 4.682 0.724 -1.950) 5.124 15.353 ( 10.887 8.236 0.263) 13.654 15.534 ( 7.526 2.078 -1.517) 7.953 15.871 ( 2.501 1.583 -2.093) 3.626 16.861 ( -7.233 -5.844 8.340) 12.491 17.118 ( -8.420 -5.580 4.820) 11.192 18.519 ( 3.648 0.676 -12.314) 12.861 18.975 ( -0.006 0.099 -0.402) 0.414 19.067 ( 0.227 -0.683 -0.625) 0.953 19.108 ( 0.340 1.029 -0.426) 1.165 19.392 ( -2.147 1.762 -1.027) 2.961 ======================= Grid point 142 (62/226) ======================= q-point: ( 0.55 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 1.772 -1.781 1.984) 3.201 2.338 ( 14.435 12.068 3.714) 19.178 2.659 ( -11.024 -12.648 1.302) 16.828 3.516 ( -6.019 -1.185 -2.935) 6.801 3.739 ( 0.959 3.189 5.410) 6.353 4.109 ( -3.406 -2.886 -6.410) 7.812 4.413 ( 4.429 6.803 -4.317) 9.194 4.707 ( 0.109 -0.344 2.134) 2.164 4.911 ( 3.434 -1.666 0.531) 3.853 5.945 ( 19.351 9.764 4.261) 22.089 6.392 ( 2.490 -2.800 -1.745) 4.134 6.510 ( -0.696 3.917 1.064) 4.118 6.883 ( -17.987 -11.653 -2.493) 21.576 6.943 ( -5.360 -1.437 -0.428) 5.566 7.882 ( 4.479 3.969 1.765) 6.239 8.020 ( -5.142 -4.625 -0.332) 6.924 9.876 ( 2.201 2.034 0.779) 3.096 10.317 ( 1.832 1.104 -0.791) 2.281 14.028 ( -0.525 1.018 -0.163) 1.157 14.782 ( 2.296 0.134 -1.135) 2.565 15.510 ( 2.068 3.219 0.161) 3.829 15.689 ( 6.029 3.001 -1.018) 6.811 15.930 ( 3.438 1.204 -0.771) 3.724 16.695 ( -8.147 -5.912 4.100) 10.869 16.972 ( -4.908 -3.770 4.354) 7.567 18.569 ( 4.879 2.676 -5.005) 7.485 18.975 ( 0.041 0.196 -0.177) 0.267 19.065 ( 0.469 -0.233 -0.553) 0.762 19.116 ( 0.463 -0.217 -0.919) 1.052 19.376 ( -1.006 1.494 -0.799) 1.970 ======================= Grid point 143 (63/226) ======================= q-point: (-0.36 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -1.698 1.878 3.120) 4.018 2.304 ( -16.854 -12.246 1.886) 20.919 2.669 ( 8.545 11.626 2.098) 14.581 3.448 ( 1.748 -6.888 -8.587) 11.146 3.631 ( -2.193 -3.181 0.184) 3.868 4.236 ( 8.675 6.198 0.105) 10.662 4.489 ( 2.335 1.893 0.019) 3.006 4.699 ( -1.764 0.539 3.079) 3.589 4.922 ( -2.253 -1.827 1.315) 3.185 5.819 ( -27.198 -13.744 -3.877) 30.719 6.408 ( -0.629 -1.403 -2.343) 2.803 6.443 ( -2.879 1.766 -0.758) 3.461 6.911 ( 1.747 -0.090 -2.843) 3.338 6.966 ( 21.772 10.706 2.812) 24.425 7.870 ( -3.515 -3.427 1.049) 5.020 8.071 ( 6.988 4.298 2.581) 8.600 9.881 ( -3.013 -0.626 1.069) 3.258 10.324 ( -0.725 -0.885 -0.386) 1.207 14.034 ( 0.179 0.748 0.190) 0.792 14.798 ( 0.274 -0.739 -0.133) 0.799 15.507 ( -3.629 -1.559 -0.142) 3.952 15.715 ( -4.817 -0.040 0.284) 4.826 15.969 ( 0.644 -2.107 1.475) 2.651 16.577 ( -0.988 -0.633 -1.417) 1.839 16.958 ( 2.927 1.121 1.977) 3.706 18.666 ( 4.183 2.784 1.443) 5.228 18.979 ( 0.149 0.399 0.009) 0.426 19.072 ( 0.642 0.051 -0.099) 0.652 19.109 ( 0.388 -1.260 -1.390) 1.916 19.381 ( 0.189 1.479 -0.755) 1.671 ======================= Grid point 144 (64/226) ======================= q-point: (-0.27 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -8.444 -3.108 0.629) 9.020 1.897 ( -21.318 -7.936 5.014) 23.293 2.885 ( 7.119 6.682 0.850) 9.800 3.327 ( 1.363 -3.613 -8.464) 9.303 3.777 ( 13.811 -1.052 0.029) 13.851 4.290 ( -6.164 -6.200 2.355) 9.055 4.505 ( -7.957 -0.806 -4.691) 9.272 4.717 ( -2.037 -8.062 10.613) 13.483 4.756 ( -7.769 9.683 -3.871) 13.004 5.296 ( -12.075 -7.924 -3.199) 14.793 6.325 ( -4.278 -3.010 -1.912) 5.569 6.384 ( -4.640 -1.015 -1.071) 4.869 6.959 ( 4.329 1.484 -2.342) 5.141 7.512 ( 24.785 14.368 0.406) 28.651 7.815 ( -1.034 -1.332 1.909) 2.547 8.246 ( 7.561 3.300 2.270) 8.556 9.777 ( -7.643 -3.125 1.152) 8.337 10.276 ( -2.846 -2.270 -0.189) 3.645 14.049 ( 0.543 0.732 0.478) 1.029 14.767 ( -2.764 -2.447 0.426) 3.716 15.335 ( -11.194 -7.891 -0.937) 13.728 15.588 ( -8.035 -0.256 1.323) 8.147 15.929 ( -2.214 -3.399 1.001) 4.179 16.654 ( 7.761 4.646 -1.785) 9.220 17.082 ( 7.132 3.886 0.296) 8.127 18.770 ( 3.269 2.557 4.372) 6.028 18.988 ( 0.314 0.645 0.199) 0.744 19.074 ( -0.326 -0.607 -0.641) 0.941 19.102 ( 1.015 -1.176 -0.447) 1.616 19.395 ( 0.447 1.188 -1.599) 2.041 ======================= Grid point 145 (65/226) ======================= q-point: (-0.18 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -15.116 -13.768 0.371) 20.450 1.493 ( -23.373 -4.919 5.649) 24.544 3.104 ( 12.272 5.590 1.846) 13.611 3.339 ( -7.258 -7.889 -4.996) 11.827 3.528 ( -22.791 -14.785 -3.141) 27.348 4.201 ( 7.106 6.606 6.841) 11.872 4.377 ( -1.388 1.957 -6.381) 6.817 4.671 ( 2.293 -2.443 -2.078) 3.942 4.848 ( 0.137 4.891 2.537) 5.512 5.136 ( -4.020 -4.468 1.827) 6.281 6.205 ( -5.350 -2.609 -0.884) 6.018 6.273 ( -5.021 -3.216 -1.552) 6.162 7.047 ( 4.546 2.489 -1.045) 5.287 7.821 ( 0.993 0.391 1.422) 1.778 8.041 ( 21.731 13.986 -0.790) 25.854 8.403 ( 7.187 1.781 1.460) 7.547 9.586 ( -10.739 -4.929 1.035) 11.862 10.189 ( -4.289 -2.850 -0.401) 5.165 14.069 ( 0.531 0.971 0.591) 1.255 14.645 ( -7.805 -5.336 0.007) 9.455 15.033 ( -12.464 -8.526 -0.134) 15.102 15.480 ( -5.266 -0.211 -0.013) 5.270 15.863 ( -2.047 -2.328 -0.319) 3.116 16.862 ( 10.199 5.835 0.304) 11.754 17.244 ( 7.032 3.945 -0.053) 8.063 18.866 ( 3.070 1.994 3.485) 5.054 19.005 ( 0.752 0.774 0.446) 1.168 19.052 ( -0.316 -1.416 -1.073) 1.805 19.103 ( -0.268 -0.725 0.730) 1.063 19.397 ( -0.264 1.085 -3.209) 3.398 ======================= Grid point 146 (66/226) ======================= q-point: (-0.09 0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -16.019 -15.311 8.909) 23.883 1.057 ( -22.238 -11.575 5.371) 25.639 2.386 ( -50.844 -28.666 -0.746) 58.373 3.428 ( 15.308 8.740 2.370) 17.785 3.613 ( 10.465 7.466 -6.932) 14.606 4.370 ( 2.311 1.736 4.343) 5.217 4.422 ( 3.458 5.414 1.767) 6.663 4.701 ( 5.368 -2.292 -2.068) 6.193 4.824 ( -5.333 0.037 -4.108) 6.732 5.045 ( -3.872 -4.438 4.692) 7.530 6.102 ( -4.031 -1.566 -0.078) 4.325 6.152 ( -4.611 -3.527 0.161) 5.807 7.137 ( 3.558 2.244 -0.261) 4.215 7.859 ( 2.006 1.010 -0.015) 2.246 8.491 ( 15.296 14.961 -0.893) 21.415 8.539 ( 8.680 -1.787 0.506) 8.877 9.347 ( -11.830 -5.560 0.804) 13.097 10.074 ( -5.383 -2.949 -2.794) 6.744 14.090 ( 0.162 1.405 0.490) 1.496 14.413 ( -10.717 -7.703 -0.360) 13.203 14.801 ( -7.420 -5.109 0.323) 9.014 15.398 ( -3.543 -0.904 -2.026) 4.181 15.820 ( -0.714 -1.045 -0.856) 1.528 17.066 ( 7.378 4.297 -4.365) 9.589 17.383 ( 5.208 2.935 0.590) 6.007 18.931 ( 2.632 -0.177 -1.786) 3.186 19.016 ( 1.484 -2.682 -3.262) 4.476 19.052 ( 0.470 1.859 2.768) 3.367 19.082 ( -1.729 -0.910 1.181) 2.283 19.381 ( -1.547 2.771 -2.435) 4.000 ======================= Grid point 149 (67/226) ======================= q-point: ( 0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -27.899 21.542 13.162) 37.625 1.013 ( 0.701 12.323 28.360) 30.930 1.428 ( 13.731 44.504 19.148) 50.356 3.644 ( -5.904 -11.548 -9.968) 16.358 3.721 ( 11.029 -11.167 -4.292) 16.271 4.322 ( -3.200 13.966 -8.988) 16.913 4.689 ( 1.617 -6.530 1.821) 6.969 4.769 ( 2.580 -5.873 0.035) 6.414 4.973 ( -0.912 -29.106 21.762) 36.353 5.005 ( -3.896 7.203 3.632) 8.959 6.046 ( 2.310 1.985 0.593) 3.103 6.118 ( -3.959 3.809 3.266) 6.392 7.200 ( 0.230 -2.420 0.126) 2.434 7.869 ( -0.243 -2.474 -3.083) 3.961 8.661 ( -3.945 -6.052 -0.364) 7.234 8.801 ( 4.370 -12.490 -1.552) 13.323 9.115 ( 2.634 11.716 0.368) 12.014 9.538 ( -0.678 33.355 -20.291) 39.048 14.107 ( 4.057 -0.359 0.194) 4.078 14.201 ( -5.073 8.215 0.717) 9.682 14.664 ( -0.901 4.640 -1.076) 4.848 15.095 ( 0.492 18.927 -15.526) 24.485 15.798 ( -1.143 -0.454 -0.623) 1.379 16.332 ( 1.215 42.034 -25.261) 49.056 17.471 ( -0.004 -2.322 -0.247) 2.335 18.825 ( -2.268 -2.778 -2.615) 4.438 19.001 ( -0.662 -1.166 0.048) 1.342 19.034 ( 0.092 1.202 0.199) 1.222 19.106 ( 0.024 -0.061 0.574) 0.578 19.538 ( 3.062 -10.085 3.175) 11.008 ======================= Grid point 150 (68/226) ======================= q-point: ( 0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 4.060 23.742 7.922) 25.356 1.257 ( 2.725 7.334 26.710) 27.833 2.312 ( 27.548 40.451 9.068) 49.773 3.383 ( -7.050 -7.854 -6.200) 12.241 3.714 ( 1.889 -11.695 -1.802) 11.983 4.282 ( -5.911 5.812 -7.190) 10.973 4.646 ( 1.127 -2.977 -7.256) 7.924 4.754 ( -3.471 -10.034 7.863) 13.212 4.835 ( 3.862 -8.485 12.884) 15.903 4.974 ( -7.813 4.638 0.461) 9.098 6.117 ( 1.206 4.430 1.334) 4.781 6.170 ( 4.787 2.479 2.690) 6.025 7.170 ( -0.839 -2.569 0.453) 2.740 7.809 ( -2.045 -1.587 -3.681) 4.500 8.394 ( -8.803 -14.904 -0.355) 17.314 8.930 ( 2.146 -2.375 -1.374) 3.483 9.084 ( -1.597 4.837 0.343) 5.106 9.863 ( 11.237 18.977 -11.025) 24.656 14.107 ( -2.260 -0.801 0.719) 2.503 14.342 ( 8.274 11.605 -0.362) 14.257 14.708 ( 2.303 5.213 -1.818) 5.982 15.247 ( 5.790 8.761 -7.862) 13.118 15.793 ( 1.230 -0.707 -1.079) 1.783 16.700 ( 11.603 22.565 -16.431) 30.229 17.426 ( -1.903 -3.519 0.142) 4.003 18.678 ( -5.947 -7.176 -5.340) 10.741 18.982 ( -0.516 -0.011 0.028) 0.517 19.049 ( 0.491 0.758 -0.039) 0.904 19.106 ( -0.444 0.506 0.475) 0.824 19.503 ( 0.033 -4.205 0.398) 4.224 ======================= Grid point 151 (69/226) ======================= q-point: ( 0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 10.597 21.912 5.048) 24.858 1.526 ( 6.581 9.573 18.035) 21.453 2.957 ( 9.117 4.717 -4.652) 11.270 3.349 ( 8.077 3.841 4.439) 9.985 3.639 ( 3.711 7.823 0.087) 8.659 4.220 ( -4.586 3.769 -1.428) 6.106 4.544 ( -2.701 -9.472 -7.461) 12.356 4.667 ( -5.430 1.039 3.267) 6.422 4.845 ( -4.599 -2.420 3.833) 6.457 4.957 ( 8.477 -3.162 3.380) 9.658 6.200 ( 2.607 3.904 0.969) 4.794 6.297 ( 5.772 2.093 2.185) 6.516 7.128 ( -1.861 -2.426 0.678) 3.131 7.755 ( -1.427 0.800 -3.345) 3.724 8.070 ( -9.577 -21.300 0.523) 23.360 8.725 ( -21.982 10.373 -1.957) 24.385 9.280 ( 18.995 -8.198 0.469) 20.694 10.126 ( 5.668 14.812 -4.995) 16.628 14.062 ( -1.231 -2.573 0.047) 2.853 14.595 ( 4.619 14.523 -1.393) 15.304 14.865 ( 12.780 5.205 -0.750) 13.820 15.372 ( 3.717 6.696 -3.410) 8.384 15.810 ( 1.797 0.476 -1.656) 2.490 16.927 ( 4.200 5.144 -0.525) 6.662 17.341 ( -4.071 -5.140 2.324) 6.956 18.490 ( -3.349 -3.901 -12.076) 13.125 18.979 ( -0.181 0.310 -0.182) 0.403 19.055 ( 0.268 -0.904 0.037) 0.944 19.112 ( -0.292 1.812 -0.390) 1.877 19.461 ( -1.285 -1.865 -1.106) 2.520 ======================= Grid point 152 (70/226) ======================= q-point: ( 0.45 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 1.131 23.160 2.841) 23.360 1.842 ( 10.996 10.967 11.286) 19.198 2.932 ( -3.848 -7.477 1.829) 8.606 3.376 ( 6.285 -5.072 -1.871) 8.291 4.037 ( 3.434 11.584 -5.743) 13.377 4.187 ( -2.676 11.666 2.198) 12.169 4.344 ( -2.307 -9.761 -5.277) 11.334 4.614 ( -0.863 0.971 -0.461) 1.378 4.791 ( 0.438 -4.346 3.432) 5.555 5.186 ( 17.059 4.262 6.074) 18.603 6.272 ( 3.202 0.199 -0.219) 3.216 6.426 ( 4.703 4.221 2.024) 6.636 7.059 ( -3.355 -3.197 -0.623) 4.676 7.615 ( -14.151 -21.719 -0.698) 25.932 7.797 ( -0.187 2.661 -0.046) 2.668 8.446 ( -20.434 8.405 -2.076) 22.193 9.505 ( 17.469 -9.885 0.683) 20.083 10.300 ( 1.445 12.848 -2.178) 13.111 14.020 ( 0.210 -4.117 -0.254) 4.130 14.747 ( 0.093 12.518 -2.325) 12.733 15.200 ( 17.047 8.072 0.316) 18.864 15.472 ( 2.735 5.208 -1.031) 5.972 15.849 ( 2.078 2.940 -2.163) 4.200 16.938 ( -4.062 -5.145 6.573) 9.283 17.208 ( -6.863 -8.087 6.562) 12.472 18.411 ( 2.830 2.927 -14.715) 15.268 18.978 ( -0.138 0.315 -0.254) 0.427 19.048 ( 0.337 -1.329 -0.123) 1.377 19.117 ( -0.526 1.287 -1.173) 1.819 19.417 ( -1.183 -1.645 -1.216) 2.363 ======================= Grid point 153 (71/226) ======================= q-point: ( 0.55 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -7.539 25.165 3.529) 26.505 2.221 ( 15.111 12.256 5.876) 20.324 2.725 ( -10.054 -11.686 3.452) 15.798 3.497 ( 6.192 -0.270 -4.289) 7.537 3.910 ( -12.461 2.732 5.583) 13.925 4.054 ( -3.595 -10.392 -10.394) 15.131 4.420 ( 1.837 9.137 -3.250) 9.870 4.674 ( 5.674 -1.168 -2.071) 6.152 4.802 ( 4.009 -4.649 3.307) 6.973 5.679 ( 25.333 12.231 6.535) 28.880 6.310 ( 2.945 -2.140 -0.919) 3.755 6.546 ( 2.515 4.728 1.855) 5.667 6.948 ( -4.829 -4.190 -3.250) 7.172 7.087 ( -19.604 -22.285 -0.213) 29.681 7.892 ( 2.911 8.298 0.875) 8.837 8.197 ( -15.806 5.341 -0.830) 16.705 9.666 ( 13.682 -12.118 0.922) 18.300 10.404 ( -1.884 10.951 -0.872) 11.146 13.990 ( 1.704 -5.007 -0.111) 5.290 14.835 ( -1.983 11.237 -1.845) 11.559 15.513 ( 6.467 7.436 0.942) 9.900 15.573 ( 7.923 2.948 -0.506) 8.469 15.911 ( 1.890 4.759 -2.110) 5.539 16.789 ( -8.228 -8.310 5.317) 12.846 17.036 ( -6.651 -8.679 6.351) 12.645 18.483 ( 6.295 6.235 -8.655) 12.386 18.978 ( -0.026 0.338 -0.263) 0.429 19.043 ( 0.776 -1.196 -0.363) 1.471 19.107 ( -0.542 -0.018 -1.664) 1.750 19.382 ( -0.275 -1.748 -0.661) 1.889 ======================= Grid point 154 (72/226) ======================= q-point: (-0.36 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -11.672 27.308 3.733) 29.931 2.438 ( -11.504 -11.215 3.885) 16.529 2.609 ( 12.907 11.312 2.326) 17.320 3.405 ( -6.571 -4.229 -6.643) 10.256 3.667 ( -9.929 -8.977 -3.011) 13.720 4.119 ( 10.748 3.810 2.176) 11.609 4.486 ( 0.598 3.994 -2.319) 4.657 4.717 ( 2.073 -1.710 1.253) 2.966 4.857 ( 5.519 -3.349 0.191) 6.458 6.048 ( -7.878 -4.791 1.294) 9.311 6.362 ( 5.774 1.808 -1.233) 6.175 6.484 ( -4.913 -4.369 -3.763) 7.576 6.752 ( 6.352 -1.197 4.247) 7.734 6.868 ( -0.071 -3.017 -3.643) 4.731 7.962 ( -6.669 2.258 1.230) 7.148 8.105 ( -0.093 12.110 1.537) 12.208 9.730 ( 8.806 -15.038 1.020) 17.456 10.440 ( -4.877 8.989 -0.219) 10.230 13.981 ( 2.976 -5.055 0.396) 5.879 14.879 ( -4.076 9.975 -1.213) 10.844 15.567 ( -2.834 1.498 0.999) 3.357 15.732 ( 3.864 1.320 0.514) 4.116 15.968 ( 0.196 3.798 -1.458) 4.073 16.604 ( -5.796 -6.021 1.999) 8.593 16.930 ( -0.092 -4.245 3.080) 5.245 18.624 ( 5.753 5.972 -1.706) 8.466 18.981 ( 0.211 0.284 -0.437) 0.562 19.048 ( 1.326 -1.021 -0.439) 1.730 19.086 ( -0.252 -0.933 -1.773) 2.019 19.370 ( 0.928 -1.601 -0.058) 1.852 ======================= Grid point 155 (73/226) ======================= q-point: (-0.27 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( -20.551 11.829 -1.232) 23.744 2.222 ( -14.273 5.731 8.466) 17.556 2.810 ( 4.377 -0.339 -2.944) 5.286 3.253 ( -2.279 -2.142 -6.030) 6.793 3.572 ( 8.542 -2.934 0.711) 9.059 4.284 ( 3.340 0.480 0.695) 3.445 4.517 ( 1.867 -0.460 1.131) 2.231 4.726 ( -0.744 -4.315 4.140) 6.026 4.903 ( 0.824 1.070 -0.966) 1.660 5.506 ( -28.628 -12.017 -5.389) 31.512 6.335 ( -1.040 -2.030 -2.369) 3.289 6.461 ( -5.519 -0.695 -0.892) 5.634 6.893 ( 4.257 1.774 -1.883) 4.981 7.129 ( 28.335 3.260 1.624) 28.568 7.873 ( -5.158 1.142 2.295) 5.759 8.287 ( 2.667 15.698 1.644) 16.007 9.680 ( 3.900 -18.119 0.925) 18.557 10.415 ( -7.373 7.137 0.116) 10.262 13.995 ( 3.628 -4.382 1.027) 5.781 14.877 ( -6.276 8.432 -0.915) 10.551 15.447 ( -10.154 -4.580 -0.559) 11.153 15.710 ( -5.491 -2.398 2.197) 6.381 15.960 ( -3.169 1.418 -1.210) 3.677 16.566 ( 4.602 0.040 0.583) 4.639 16.986 ( 6.899 0.554 0.648) 6.952 18.755 ( 3.802 4.442 0.816) 5.904 18.985 ( 0.582 -0.171 -1.091) 1.248 19.049 ( 0.335 -1.637 -1.170) 2.040 19.082 ( 1.222 0.279 0.188) 1.268 19.378 ( 1.476 -1.297 0.104) 1.968 ======================= Grid point 156 (74/226) ======================= q-point: (-0.18 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -22.971 -1.737 -0.299) 23.039 1.970 ( -28.732 7.012 1.933) 29.638 2.916 ( 12.972 -0.748 0.866) 13.022 3.228 ( 3.941 -3.117 -5.664) 7.571 3.716 ( -2.118 -1.317 2.785) 3.738 4.279 ( -2.869 -0.179 9.121) 9.564 4.469 ( -11.878 3.036 -7.405) 14.322 4.588 ( -0.129 -10.866 6.987) 12.919 4.913 ( -1.454 5.819 -4.242) 7.346 5.123 ( -3.726 -5.980 -4.421) 8.317 6.278 ( -3.719 -0.379 -0.793) 3.822 6.326 ( -6.610 -2.628 -1.315) 7.234 6.990 ( 4.769 2.666 -0.007) 5.463 7.637 ( 28.528 0.344 -0.146) 28.530 7.836 ( -1.677 0.707 1.352) 2.267 8.500 ( 1.423 19.734 1.390) 19.834 9.526 ( 0.009 -20.657 0.708) 20.669 10.337 ( -9.044 5.356 -0.023) 10.511 14.025 ( 3.514 -3.343 1.504) 5.078 14.813 ( -10.256 7.074 -1.138) 12.511 15.159 ( -13.913 -8.924 -1.490) 16.596 15.582 ( -6.867 -2.316 1.233) 7.351 15.896 ( -4.033 0.515 -1.709) 4.411 16.728 ( 10.810 2.538 2.060) 11.293 17.139 ( 8.762 1.934 -0.014) 8.973 18.835 ( 2.559 1.533 -2.790) 4.085 18.983 ( 0.729 -1.053 -1.674) 2.107 19.038 ( 0.266 -0.389 0.174) 0.503 19.113 ( 0.542 1.085 1.520) 1.945 19.392 ( 1.121 -0.309 0.221) 1.184 ======================= Grid point 157 (75/226) ======================= q-point: (-0.09 0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -21.860 -3.278 5.755) 22.841 1.467 ( -31.069 -4.108 -2.199) 31.417 2.981 ( -33.843 -9.271 1.656) 35.129 3.207 ( 16.344 1.439 0.816) 16.427 3.537 ( -1.211 4.651 1.721) 5.104 4.348 ( 1.097 -0.632 -1.232) 1.767 4.460 ( 5.982 11.045 6.474) 14.131 4.566 ( 3.421 -6.725 2.094) 7.831 4.882 ( -3.440 0.929 -7.950) 8.712 5.041 ( -0.481 -5.409 -0.297) 5.438 6.187 ( -6.474 -0.212 1.099) 6.570 6.209 ( -4.647 -0.853 -0.532) 4.755 7.090 ( 4.202 1.761 0.586) 4.593 7.834 ( 0.830 -0.056 -0.579) 1.013 8.071 ( 24.336 -2.541 -0.621) 24.476 8.733 ( 0.753 23.403 0.835) 23.430 9.301 ( -2.240 -21.800 0.523) 21.921 10.214 ( -10.179 3.085 -1.703) 10.772 14.060 ( 2.849 -2.184 1.654) 3.952 14.629 ( -17.117 3.284 -1.887) 17.531 14.878 ( -8.474 -5.843 -1.065) 10.348 15.461 ( -5.565 -1.396 -1.297) 5.882 15.835 ( -2.509 0.444 -1.699) 3.062 16.940 ( 9.531 1.594 -0.099) 9.664 17.298 ( 7.752 1.391 0.653) 7.903 18.839 ( 2.311 -2.174 -9.960) 10.453 18.980 ( 0.316 -0.338 -0.154) 0.487 19.050 ( 0.849 0.217 0.275) 0.918 19.119 ( -1.653 0.210 1.153) 2.026 19.420 ( 0.780 2.204 1.696) 2.888 ======================= Grid point 160 (76/226) ======================= q-point: ( 0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -4.066 12.354 23.595) 26.942 1.377 ( -5.400 25.212 14.221) 29.446 2.071 ( -29.832 38.217 7.086) 48.997 3.375 ( 11.034 -9.544 -5.789) 15.695 3.582 ( -2.658 -12.783 -4.433) 13.789 4.286 ( 7.470 -1.464 -7.726) 10.845 4.574 ( 3.610 -8.094 3.295) 9.455 4.709 ( 0.634 -8.438 -1.693) 8.630 4.897 ( -1.669 1.208 9.704) 9.921 5.135 ( -0.331 7.393 4.575) 8.700 6.070 ( -2.062 2.999 0.291) 3.651 6.239 ( -3.559 3.124 4.185) 6.320 7.153 ( 1.554 -3.796 -0.062) 4.102 7.820 ( 1.781 -1.089 -3.447) 4.030 8.419 ( 8.884 -15.387 0.100) 17.768 8.896 ( -1.563 -1.873 -2.304) 3.356 9.043 ( 1.042 4.645 -0.336) 4.773 9.849 ( -10.457 17.623 -10.244) 22.910 14.035 ( 2.193 -2.378 -0.692) 3.308 14.443 ( -8.803 13.663 1.766) 16.349 14.729 ( -1.605 6.437 -1.215) 6.744 15.230 ( -6.304 7.051 -8.845) 12.949 15.821 ( -1.375 0.018 -0.427) 1.440 16.680 ( -11.865 23.266 -17.440) 31.405 17.426 ( 1.915 -3.528 0.071) 4.015 18.777 ( 3.347 -2.095 -7.979) 8.903 18.985 ( 1.068 -0.495 -0.008) 1.177 19.049 ( -0.234 1.371 0.505) 1.480 19.102 ( 0.686 0.066 0.202) 0.718 19.396 ( 1.796 -9.452 2.836) 10.031 ======================= Grid point 161 (77/226) ======================= q-point: ( 0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -19.214 19.944 9.399) 29.245 1.462 ( -2.348 8.566 24.386) 25.953 2.479 ( 9.105 47.883 5.250) 49.023 3.339 ( -1.622 -9.941 -7.474) 12.542 3.488 ( 7.903 -9.258 0.401) 12.179 4.302 ( 2.869 -5.938 -7.482) 9.973 4.555 ( -0.669 -6.367 -2.573) 6.899 4.624 ( 4.037 -8.271 0.827) 9.240 4.911 ( -4.432 1.090 11.482) 12.356 5.153 ( -6.375 4.048 2.200) 7.866 6.112 ( 2.463 4.014 0.906) 4.795 6.221 ( -3.124 3.184 2.776) 5.254 7.133 ( 1.106 -4.614 -0.028) 4.745 7.804 ( -0.601 -0.541 -3.442) 3.536 8.458 ( -7.056 -19.538 -0.865) 20.791 8.548 ( 7.930 -6.774 -0.110) 10.430 9.369 ( 1.283 13.528 0.518) 13.598 9.844 ( 0.679 16.649 -9.487) 19.174 14.097 ( 4.578 -0.843 0.076) 4.656 14.413 ( -5.624 11.985 0.053) 13.239 14.788 ( -2.231 9.486 -1.039) 9.800 15.232 ( 2.295 9.870 -7.159) 12.407 15.788 ( -1.549 0.419 -0.977) 1.879 16.765 ( 0.641 22.655 -10.367) 24.922 17.404 ( 0.033 -4.436 0.287) 4.446 18.675 ( -4.550 -6.829 -8.071) 11.510 18.985 ( -0.006 -0.569 -0.026) 0.570 19.054 ( -0.415 0.484 -0.007) 0.638 19.119 ( 0.172 1.147 0.252) 1.187 19.394 ( 5.244 -6.976 1.303) 8.824 ======================= Grid point 162 (78/226) ======================= q-point: ( 0.36 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 3.408 22.225 8.756) 24.130 1.655 ( 1.546 12.376 16.064) 20.337 2.940 ( -0.042 14.699 -4.711) 15.435 3.272 ( 4.061 -3.398 3.317) 6.248 3.593 ( 10.399 8.145 1.083) 13.254 4.235 ( 1.501 -6.676 -4.020) 7.936 4.441 ( -2.117 -5.456 -6.696) 8.893 4.681 ( 6.585 -2.378 -0.016) 7.001 4.903 ( -3.437 2.038 10.501) 11.236 5.028 ( -11.478 0.479 0.848) 11.519 6.220 ( 2.447 4.872 1.040) 5.550 6.239 ( 2.364 1.981 1.668) 3.506 7.103 ( 0.654 -5.010 0.074) 5.053 7.772 ( -1.254 1.410 -3.211) 3.724 8.067 ( -12.408 -18.789 0.447) 22.521 8.741 ( 18.531 -11.441 -0.365) 21.781 9.294 ( -18.711 12.670 -0.983) 22.618 10.098 ( 11.115 13.239 -4.760) 17.930 14.082 ( -3.551 -1.877 -0.415) 4.038 14.597 ( 11.926 12.534 -0.107) 17.302 14.831 ( -2.522 10.559 -1.527) 10.963 15.377 ( 4.396 10.565 -3.401) 11.938 15.780 ( 0.795 0.729 -1.394) 1.763 16.937 ( 2.284 9.378 -0.258) 9.656 17.349 ( -1.714 -5.294 2.338) 6.036 18.471 ( -5.464 -4.564 -11.679) 13.678 18.981 ( -0.003 -0.303 0.008) 0.303 19.048 ( -0.289 -0.547 -0.016) 0.619 19.132 ( -0.261 1.705 -0.256) 1.744 19.409 ( 2.749 -4.761 -1.094) 5.605 ======================= Grid point 163 (79/226) ======================= q-point: ( 0.45 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 8.293 19.177 11.007) 23.615 1.931 ( 5.125 21.400 5.806) 22.759 2.930 ( -2.007 0.831 -1.593) 2.694 3.227 ( 0.768 -11.361 2.688) 11.699 3.973 ( 12.173 15.543 -8.262) 21.402 4.180 ( 4.235 -15.362 0.188) 15.936 4.342 ( -3.339 2.914 -1.688) 4.742 4.707 ( -5.385 4.298 -4.378) 8.164 4.822 ( -8.273 -3.768 -0.765) 9.123 5.051 ( 10.062 7.854 12.976) 18.202 6.247 ( 0.186 0.448 0.643) 0.805 6.381 ( 6.435 4.844 0.872) 8.101 7.047 ( -1.003 -6.019 -0.975) 6.180 7.615 ( -11.914 -20.425 -0.697) 23.656 7.836 ( -0.339 3.692 0.334) 3.723 8.819 ( -5.889 -1.453 -1.590) 6.271 9.167 ( 2.148 -0.278 -0.299) 2.187 10.349 ( 6.339 11.245 -2.091) 13.077 13.992 ( -2.790 -3.721 -1.034) 4.765 14.901 ( -1.976 13.438 -1.411) 13.655 14.974 ( 18.044 10.133 0.197) 20.695 15.511 ( 1.019 9.150 -1.051) 9.266 15.824 ( 3.276 3.059 -1.663) 4.781 16.976 ( -2.511 -3.480 5.001) 6.590 17.258 ( -4.729 -8.833 7.864) 12.736 18.347 ( 0.080 4.151 -15.251) 15.807 18.978 ( 0.055 -0.464 -0.060) 0.471 19.036 ( -0.264 -0.835 0.034) 0.876 19.135 ( -0.799 1.097 -1.195) 1.808 19.386 ( 0.673 -4.027 -1.590) 4.382 ======================= Grid point 164 (80/226) ======================= q-point: ( 0.55 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 10.469 16.753 8.157) 21.373 2.208 ( -3.695 25.400 3.736) 25.938 2.827 ( -10.290 -4.736 4.603) 12.227 3.291 ( 14.366 -1.016 -2.509) 14.619 3.944 ( -3.544 -11.988 -11.229) 16.803 4.138 ( -5.984 0.060 0.224) 5.989 4.425 ( 7.196 1.869 2.635) 7.888 4.577 ( -5.211 0.867 -6.504) 8.379 4.735 ( 0.637 -4.444 1.705) 4.802 5.478 ( 18.314 15.888 8.675) 25.750 6.257 ( 1.158 -0.831 0.135) 1.432 6.531 ( 5.136 4.395 0.437) 6.774 6.944 ( -2.583 -6.858 -2.465) 7.732 7.160 ( -16.043 -22.772 0.981) 27.873 7.934 ( 2.894 9.081 0.338) 9.537 8.584 ( -20.276 7.111 -1.249) 21.523 9.285 ( 15.184 -12.339 0.129) 19.566 10.508 ( 1.670 9.543 -0.772) 9.719 13.917 ( -0.264 -5.139 -0.903) 5.224 14.994 ( -1.795 13.023 -1.203) 13.201 15.362 ( 15.890 8.862 -0.002) 18.194 15.583 ( -0.091 5.646 -0.177) 5.649 15.921 ( 2.882 6.508 -1.350) 7.245 16.858 ( -6.694 -8.406 4.705) 11.731 17.089 ( -7.282 -12.030 8.339) 16.349 18.407 ( 5.769 9.597 -10.737) 15.513 18.972 ( 0.187 -1.100 -0.277) 1.150 19.027 ( -0.033 -0.506 0.136) 0.525 19.114 ( -1.241 -0.034 -1.895) 2.265 19.348 ( 0.420 -3.913 -1.030) 4.068 ======================= Grid point 165 (81/226) ======================= q-point: ( 0.64 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -3.482 16.935 3.966) 17.739 2.537 ( 8.264 13.724 5.654) 16.989 2.588 ( -14.575 4.659 3.048) 15.602 3.436 ( -0.935 0.244 -5.963) 6.040 3.718 ( -6.726 -10.064 -6.611) 13.792 4.026 ( 0.951 -1.994 4.387) 4.912 4.516 ( -1.336 2.572 -3.328) 4.413 4.572 ( 9.284 -2.387 -2.986) 10.040 4.744 ( 4.360 -4.718 2.183) 6.785 5.970 ( 17.229 10.478 4.102) 20.578 6.280 ( 3.148 0.238 0.273) 3.169 6.532 ( -10.091 -11.903 -2.972) 15.885 6.759 ( -5.617 -6.495 4.730) 9.804 6.825 ( -2.112 -3.798 -4.575) 6.310 8.073 ( 0.740 8.319 0.377) 8.360 8.352 ( -14.334 10.895 0.818) 18.023 9.385 ( 12.988 -16.820 0.151) 21.251 10.585 ( -2.076 7.638 -0.077) 7.915 13.879 ( 2.210 -5.381 -0.301) 5.825 15.066 ( -4.117 12.637 -0.938) 13.324 15.619 ( 0.617 2.149 0.133) 2.239 15.644 ( 7.930 4.268 0.561) 9.023 16.010 ( 0.443 7.103 -1.802) 7.341 16.666 ( -7.917 -8.356 3.886) 12.149 16.915 ( -3.561 -8.575 4.001) 10.111 18.578 ( 6.784 9.460 -3.895) 12.275 18.958 ( 0.614 -2.448 -1.088) 2.749 19.029 ( 0.340 0.197 0.504) 0.639 19.081 ( -0.976 -0.570 -1.818) 2.141 19.321 ( 1.391 -3.775 -0.303) 4.035 ======================= Grid point 166 (82/226) ======================= q-point: (-0.27 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -19.608 -2.749 2.303) 19.933 2.501 ( 1.938 12.466 3.603) 13.120 2.836 ( -7.137 18.862 -1.637) 20.233 3.329 ( -8.794 1.163 -1.933) 9.079 3.439 ( -0.502 -9.223 -1.571) 9.370 4.171 ( 10.747 -3.075 2.783) 11.519 4.494 ( -0.620 -2.116 0.917) 2.388 4.677 ( 5.213 0.412 -2.763) 5.914 4.801 ( 6.197 -3.096 -1.322) 7.052 5.874 ( -26.555 -9.645 0.048) 28.252 6.301 ( 0.605 -2.699 -3.171) 4.208 6.496 ( 6.705 3.209 0.385) 7.443 6.730 ( 11.758 -2.895 -1.377) 12.187 6.854 ( 4.934 2.137 1.496) 5.581 8.028 ( -9.206 2.534 1.790) 9.714 8.424 ( 1.599 18.227 1.119) 18.331 9.387 ( 8.337 -19.857 0.016) 21.536 10.588 ( -5.155 5.494 0.302) 7.540 13.885 ( 4.032 -4.483 0.411) 6.043 15.087 ( -6.584 11.129 -0.927) 12.964 15.570 ( -7.491 -1.881 0.450) 7.737 15.732 ( 0.460 -2.441 1.405) 2.854 16.041 ( -2.928 5.375 -2.936) 6.789 16.527 ( -1.653 -4.035 3.255) 5.441 16.881 ( 4.536 -2.604 0.897) 5.307 18.743 ( 3.884 6.979 -1.345) 8.100 18.940 ( 1.724 -2.999 -1.952) 3.972 19.042 ( -0.215 0.344 0.264) 0.484 19.066 ( 0.949 0.210 -0.057) 0.974 19.321 ( 2.579 -3.216 0.234) 4.129 ======================= Grid point 167 (83/226) ======================= q-point: (-0.18 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( -23.490 0.088 1.522) 23.540 2.540 ( -29.072 -2.278 -6.018) 29.775 2.710 ( 9.385 6.376 4.627) 12.253 3.166 ( -2.905 -0.460 -3.791) 4.798 3.676 ( 12.761 11.518 5.706) 18.112 4.275 ( 5.268 -5.284 1.758) 7.665 4.475 ( 0.865 -5.109 5.903) 7.854 4.684 ( -5.915 0.193 -1.648) 6.143 4.856 ( 5.871 -4.156 -5.294) 8.931 5.317 ( -26.358 -2.117 -3.470) 26.670 6.287 ( 0.164 -0.478 -2.575) 2.624 6.437 ( -7.307 -0.786 1.414) 7.484 6.936 ( 5.395 3.175 -0.490) 6.279 7.153 ( 28.026 -0.981 1.071) 28.064 7.918 ( -6.492 0.762 1.598) 6.729 8.661 ( 3.538 18.842 0.630) 19.181 9.288 ( 3.440 -20.141 -0.116) 20.433 10.524 ( -7.578 3.093 0.306) 8.191 13.927 ( 4.694 -2.799 0.915) 5.542 15.054 ( -8.192 8.904 -1.072) 12.147 15.332 ( -15.783 -5.048 -1.175) 16.612 15.654 ( -4.935 -4.972 1.686) 7.206 15.989 ( -5.792 3.004 -3.108) 7.227 16.589 ( 8.252 -0.194 4.296) 9.306 16.996 ( 9.159 0.239 -0.097) 9.163 18.796 ( 0.428 0.562 -5.961) 6.002 18.954 ( 1.766 0.179 -0.205) 1.787 19.035 ( -0.095 -0.045 -0.240) 0.262 19.113 ( 1.968 1.615 1.777) 3.105 19.347 ( 3.201 -1.739 0.815) 3.733 ======================= Grid point 168 (84/226) ======================= q-point: (-0.09 0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -23.920 2.607 4.142) 24.416 1.916 ( -31.584 -11.844 -4.631) 34.048 2.956 ( 13.487 -1.548 0.748) 13.596 3.184 ( 0.936 9.313 -1.187) 9.435 3.865 ( -15.574 8.750 9.193) 20.091 4.290 ( 3.059 -6.812 -0.442) 7.481 4.463 ( -0.589 -0.308 -4.131) 4.184 4.534 ( -1.181 -0.387 11.688) 11.754 4.848 ( 1.607 -5.384 -6.136) 8.320 5.044 ( -6.708 3.761 -6.021) 9.766 6.257 ( -2.615 -0.018 -1.513) 3.021 6.325 ( -7.002 1.465 2.477) 7.571 7.040 ( 4.227 1.281 1.337) 4.615 7.622 ( 27.593 -0.366 -0.034) 27.595 7.841 ( -2.925 -0.812 -0.388) 3.061 8.857 ( 4.031 1.467 -0.614) 4.334 9.164 ( -1.024 -2.585 0.446) 2.816 10.396 ( -9.631 0.123 -0.605) 9.651 13.991 ( 4.184 -0.724 1.056) 4.375 14.963 ( -11.287 -8.060 -2.237) 14.049 14.988 ( -16.994 10.193 -1.001) 19.842 15.528 ( -5.335 -3.301 0.137) 6.276 15.899 ( -5.127 1.398 -2.755) 5.986 16.785 ( 10.858 -0.238 4.941) 11.932 17.160 ( 9.604 0.122 0.455) 9.616 18.746 ( 0.081 -1.758 -10.801) 10.943 18.977 ( 0.401 0.580 0.184) 0.728 19.040 ( 0.623 0.302 -0.171) 0.713 19.144 ( -0.524 0.157 0.641) 0.843 19.405 ( 3.337 0.690 1.627) 3.776 ======================= Grid point 171 (85/226) ======================= q-point: ( 0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -5.526 13.326 16.258) 21.736 1.718 ( 3.854 30.798 8.439) 32.164 2.989 ( -39.198 21.500 0.007) 44.707 3.124 ( 6.277 -7.606 -0.831) 9.896 3.485 ( -0.242 -7.862 -0.196) 7.868 4.073 ( 8.312 -8.260 -5.065) 12.766 4.451 ( 1.694 -9.599 -1.284) 9.832 4.598 ( 2.112 -3.901 0.674) 4.487 5.033 ( -1.239 9.436 1.473) 9.631 5.212 ( 0.372 6.381 5.731) 8.584 6.168 ( -4.965 3.893 0.426) 6.324 6.334 ( -2.943 1.766 2.711) 4.374 7.081 ( 1.811 -5.078 0.104) 5.392 7.767 ( 2.151 0.839 -3.047) 3.823 8.091 ( 9.687 -21.888 0.204) 23.937 8.692 ( 21.619 11.173 -0.620) 24.343 9.249 ( -20.366 -8.939 -1.240) 22.276 10.101 ( -6.089 13.740 -4.543) 15.700 13.984 ( -0.381 -4.240 -1.033) 4.381 14.701 ( -0.709 16.544 0.238) 16.561 14.883 ( -12.112 6.509 -0.276) 13.753 15.352 ( -5.979 4.342 -4.576) 8.691 15.837 ( -0.353 1.518 -1.186) 1.959 16.934 ( -5.506 7.165 -0.663) 9.061 17.342 ( 3.801 -4.769 1.897) 6.387 18.606 ( 7.084 -0.115 -14.437) 16.082 18.974 ( 0.089 0.121 -0.255) 0.296 19.070 ( -0.573 0.759 0.707) 1.186 19.088 ( 0.737 -0.175 -0.428) 0.870 19.336 ( -2.102 -6.914 0.857) 7.277 ======================= Grid point 172 (86/226) ======================= q-point: ( 0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -3.045 12.573 17.729) 21.946 1.866 ( -22.141 14.514 8.437) 27.786 2.868 ( -2.887 33.467 -2.801) 33.708 3.155 ( 6.445 -7.130 -4.451) 10.592 3.414 ( -2.608 0.917 4.605) 5.371 4.091 ( 6.947 -9.900 -6.731) 13.841 4.407 ( 5.401 -11.133 2.703) 12.666 4.559 ( -1.413 -4.176 -2.709) 5.174 5.081 ( -4.620 8.303 3.968) 10.297 5.272 ( -2.484 3.099 3.546) 5.324 6.158 ( -1.843 5.286 1.159) 5.716 6.307 ( -2.906 0.942 1.764) 3.528 7.053 ( 1.747 -6.305 -0.417) 6.556 7.789 ( 0.728 1.230 -2.739) 3.089 8.086 ( 12.958 -19.735 0.590) 23.616 8.700 ( -18.883 -10.477 -1.913) 21.679 9.272 ( 20.117 13.479 0.135) 24.215 10.072 ( -10.195 12.847 -4.538) 17.017 13.992 ( 5.201 -1.509 -0.484) 5.437 14.701 ( -14.040 9.789 -0.353) 17.119 14.909 ( 1.369 14.276 -0.205) 14.342 15.290 ( -3.008 6.449 -4.432) 8.383 15.826 ( -2.027 1.589 -1.440) 2.951 16.945 ( -3.357 11.898 -0.372) 12.368 17.347 ( 1.653 -4.953 1.800) 5.523 18.590 ( 1.360 -4.439 -15.013) 15.715 18.975 ( 0.246 -0.487 0.010) 0.546 19.070 ( -0.957 0.147 -0.057) 0.970 19.113 ( 2.081 1.124 -0.551) 2.429 19.272 ( 1.852 -6.041 2.967) 6.980 ======================= Grid point 173 (87/226) ======================= q-point: ( 0.36 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -12.603 10.371 6.351) 17.514 1.860 ( -2.180 13.892 12.666) 18.925 3.073 ( -0.954 3.251 -4.116) 5.331 3.187 ( 4.062 -1.562 1.856) 4.731 3.578 ( 5.780 23.398 2.450) 24.225 4.040 ( 4.668 -13.797 -5.251) 15.483 4.427 ( -0.197 -2.507 -4.391) 5.060 4.518 ( 7.684 -2.591 3.214) 8.723 5.074 ( -6.517 5.708 2.206) 8.940 5.217 ( -8.423 1.611 4.261) 9.576 6.216 ( 1.709 5.477 1.358) 5.896 6.285 ( -1.912 1.518 1.247) 2.742 7.019 ( 2.045 -6.934 -0.375) 7.239 7.791 ( -0.712 1.788 -2.667) 3.289 8.024 ( -0.775 -23.894 0.428) 23.910 8.418 ( 2.022 -6.655 -0.918) 7.015 9.630 ( -0.020 12.502 0.382) 12.508 10.040 ( 1.205 10.830 -4.101) 11.643 14.076 ( 3.678 -1.135 -0.223) 3.855 14.604 ( -3.769 7.786 -1.953) 8.868 15.021 ( -4.185 14.629 0.217) 15.217 15.386 ( 5.262 11.348 -2.375) 12.732 15.797 ( -2.061 1.639 -1.547) 3.054 17.013 ( -0.901 5.189 2.960) 6.042 17.328 ( -0.029 -4.846 4.684) 6.740 18.446 ( -3.440 -2.816 -15.791) 16.405 18.973 ( 0.227 -0.797 0.075) 0.832 19.052 ( -0.707 -0.423 -0.179) 0.843 19.145 ( 0.576 1.269 -0.608) 1.521 19.294 ( 4.331 -4.566 0.870) 6.353 ======================= Grid point 174 (88/226) ======================= q-point: ( 0.45 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 11.862 11.802 7.222) 18.225 2.042 ( 2.459 16.127 4.277) 16.865 3.037 ( -4.400 5.649 -1.256) 7.270 3.165 ( -2.148 -9.731 6.955) 12.152 3.891 ( 8.446 12.199 -3.779) 15.312 3.942 ( 3.777 -16.656 -3.441) 17.423 4.371 ( -0.770 1.927 -5.239) 5.635 4.735 ( 7.498 8.549 -1.215) 11.436 4.952 ( -10.685 -2.227 -2.719) 11.248 5.168 ( -4.118 10.436 12.992) 17.166 6.273 ( -1.620 0.832 1.380) 2.285 6.333 ( 4.899 5.518 0.287) 7.384 6.973 ( 0.955 -7.952 -0.633) 8.034 7.613 ( -10.911 -20.490 -1.556) 23.266 7.870 ( 0.714 2.889 0.564) 3.029 8.517 ( 15.917 -11.115 -0.827) 19.431 9.514 ( -20.522 10.776 -1.126) 23.207 10.279 ( 11.797 8.670 -1.715) 14.741 14.033 ( -5.113 -2.084 -1.353) 5.685 14.752 ( 12.552 5.019 -1.028) 13.558 15.110 ( -2.306 16.725 0.227) 16.885 15.581 ( 2.924 12.047 -1.257) 12.460 15.795 ( 1.759 2.337 -1.055) 3.110 17.007 ( -2.536 -4.033 3.552) 5.943 17.280 ( -3.177 -9.229 10.217) 14.130 18.330 ( -1.208 6.022 -16.152) 17.280 18.968 ( 0.170 -1.099 0.144) 1.121 19.037 ( -0.486 -0.439 -0.111) 0.664 19.151 ( -0.590 0.598 -0.967) 1.281 19.309 ( 2.455 -4.265 -0.873) 4.998 ======================= Grid point 175 (89/226) ======================= q-point: ( 0.55 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( 7.992 13.107 8.445) 17.521 2.348 ( 14.050 14.996 -0.984) 20.573 3.032 ( -7.466 7.228 3.700) 11.031 3.074 ( 3.814 -5.495 2.394) 7.104 3.808 ( 0.851 -15.505 -2.798) 15.779 4.057 ( 7.234 0.400 -5.932) 9.364 4.393 ( 1.772 3.490 -2.632) 4.717 4.700 ( -11.869 -5.747 -0.690) 13.205 4.778 ( -5.979 4.419 -2.645) 7.891 5.457 ( 10.048 19.002 10.018) 23.715 6.260 ( -1.215 0.450 1.149) 1.732 6.474 ( 5.754 3.892 -0.867) 7.001 6.886 ( -0.993 -9.129 -0.535) 9.198 7.201 ( -12.799 -20.008 0.072) 23.752 7.966 ( 3.312 7.799 0.220) 8.476 8.659 ( 12.962 -11.173 -0.572) 17.123 9.246 ( -18.879 6.481 -1.337) 20.005 10.509 ( 7.221 6.690 -0.737) 9.871 13.912 ( -4.567 -3.017 -1.493) 5.674 15.007 ( 11.287 3.549 -0.511) 11.843 15.293 ( 4.945 16.388 -0.078) 17.118 15.651 ( -2.144 5.374 -1.714) 6.034 15.918 ( 5.331 7.602 0.405) 9.294 16.900 ( -5.100 -7.310 3.077) 9.429 17.127 ( -6.854 -13.709 9.353) 17.956 18.378 ( 3.747 12.044 -10.836) 16.629 18.956 ( -0.138 -1.813 0.255) 1.836 19.028 ( -0.201 -0.021 0.039) 0.206 19.126 ( -1.491 -0.442 -1.666) 2.279 19.290 ( 0.947 -4.305 -1.025) 4.525 ======================= Grid point 176 (90/226) ======================= q-point: ( 0.64 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 2.701 2.393 0.263) 3.618 2.624 ( 3.500 10.041 8.745) 13.767 2.974 ( -10.034 13.387 0.135) 16.730 3.300 ( 18.468 4.517 -1.137) 19.046 3.665 ( -2.292 -7.523 -2.132) 8.148 4.037 ( -4.335 -7.704 -4.950) 10.131 4.441 ( 1.706 1.051 0.521) 2.070 4.529 ( -0.552 -3.154 -0.426) 3.230 4.696 ( -3.835 0.351 -0.902) 3.955 5.850 ( 12.433 13.960 3.603) 19.037 6.262 ( 0.274 1.128 0.821) 1.422 6.520 ( -1.820 -8.168 -1.557) 8.512 6.776 ( -2.334 -6.236 2.063) 6.971 6.860 ( -8.394 -7.358 -1.136) 11.220 8.113 ( 3.987 8.256 -0.062) 9.169 8.676 ( -6.176 2.204 0.676) 6.593 9.064 ( 0.664 -8.670 -1.284) 8.789 10.643 ( 2.474 4.736 -0.228) 5.348 13.824 ( -1.336 -3.302 -0.878) 3.669 15.180 ( 3.885 6.681 -0.225) 7.732 15.542 ( 8.024 9.131 -0.743) 12.178 15.649 ( -0.564 1.483 -0.941) 1.845 16.060 ( 1.917 7.170 0.326) 7.429 16.738 ( -7.316 -7.070 3.292) 10.693 16.924 ( -5.983 -10.441 4.131) 12.723 18.549 ( 6.366 11.848 -4.287) 14.117 18.925 ( -0.742 -3.368 0.031) 3.449 19.032 ( 0.228 0.574 0.393) 0.732 19.086 ( -1.305 -0.744 -1.771) 2.322 19.257 ( 0.989 -4.316 -0.663) 4.477 ======================= Grid point 177 (91/226) ======================= q-point: (-0.27 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 0.636 -6.589 2.617) 7.118 2.641 ( -13.143 4.446 -0.820) 13.899 3.127 ( 9.031 17.816 3.337) 20.251 3.476 ( -7.712 10.303 -2.395) 13.091 3.525 ( -15.473 -4.079 -1.490) 16.071 3.897 ( 11.944 -12.846 1.252) 17.586 4.487 ( 2.237 0.311 -1.644) 2.794 4.563 ( 4.898 -0.396 0.536) 4.944 4.681 ( 3.209 -0.991 -1.708) 3.768 6.129 ( 1.144 3.913 2.090) 4.582 6.233 ( -7.323 -12.115 0.207) 14.158 6.346 ( 6.269 5.363 -1.761) 8.436 6.667 ( -3.420 -5.212 -0.520) 6.255 6.826 ( 1.955 2.662 0.535) 3.345 8.189 ( -3.929 2.960 0.457) 4.941 8.619 ( -6.371 14.034 1.139) 15.455 9.044 ( 10.264 -16.638 -0.890) 19.570 10.685 ( -1.499 2.484 0.102) 2.903 13.798 ( 1.931 -2.407 -0.131) 3.089 15.258 ( -2.450 6.759 -0.397) 7.201 15.631 ( -0.773 -1.200 0.347) 1.469 15.696 ( 2.472 0.926 -0.046) 2.640 16.115 ( -1.456 4.513 -1.801) 5.073 16.577 ( -6.475 -4.142 3.858) 8.600 16.809 ( 0.104 -3.837 0.152) 3.841 18.747 ( 4.944 10.162 -1.644) 11.420 18.872 ( 0.222 -5.037 -0.424) 5.060 19.052 ( 0.355 0.924 0.863) 1.313 19.056 ( -0.229 -0.297 -0.966) 1.036 19.243 ( 2.388 -3.748 -0.175) 4.448 ======================= Grid point 178 (92/226) ======================= q-point: (-0.18 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( -15.773 0.410 5.385) 16.672 2.477 ( 0.900 -4.481 -5.414) 7.086 2.999 ( -21.646 -19.906 -1.518) 29.447 3.372 ( -12.340 20.170 -2.184) 23.746 3.613 ( 13.200 16.161 5.465) 21.570 4.026 ( 12.599 -13.415 3.701) 18.772 4.496 ( -1.149 0.607 1.341) 1.868 4.658 ( 6.513 -0.990 -1.081) 6.676 4.724 ( 2.321 1.264 -6.446) 6.967 5.772 ( -27.375 -0.982 1.603) 27.439 6.253 ( 2.596 0.362 -2.008) 3.302 6.539 ( -2.600 0.122 2.596) 3.676 6.686 ( 21.349 0.366 -2.353) 21.482 6.903 ( 4.322 1.168 1.051) 4.599 8.074 ( -9.724 0.080 1.490) 9.838 8.700 ( 3.538 -0.529 -1.181) 3.767 9.083 ( 6.686 -1.117 0.417) 6.791 10.644 ( -4.771 -0.157 0.222) 4.779 13.838 ( 4.156 -0.495 0.381) 4.203 15.219 ( -6.344 1.106 -1.026) 6.521 15.543 ( -9.726 0.663 0.587) 9.766 15.676 ( -2.539 -3.807 0.678) 4.626 16.088 ( -4.146 2.229 -3.390) 5.801 16.521 ( 1.115 -0.894 4.785) 4.994 16.853 ( 6.883 -0.277 -0.738) 6.927 18.776 ( -1.732 -1.551 -4.948) 5.467 18.926 ( 3.554 3.308 0.571) 4.889 19.036 ( -0.419 -0.154 -0.737) 0.861 19.100 ( 2.226 1.450 1.720) 3.165 19.269 ( 4.074 -1.839 0.708) 4.526 ======================= Grid point 179 (93/226) ======================= q-point: (-0.09 0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -22.976 4.940 3.164) 23.713 2.193 ( -22.803 -21.287 -3.159) 31.354 2.737 ( 9.402 -5.016 1.113) 10.714 3.346 ( -7.989 14.261 -1.012) 16.377 4.034 ( 12.356 13.991 4.356) 19.167 4.085 ( 9.227 -12.951 3.938) 16.382 4.478 ( -2.400 -0.037 -0.297) 2.418 4.672 ( -7.549 1.932 -4.920) 9.216 4.725 ( 3.810 -2.906 -0.972) 4.889 5.342 ( -24.478 6.543 0.100) 25.338 6.277 ( 0.214 1.996 -1.816) 2.707 6.464 ( -6.340 0.442 3.552) 7.281 6.981 ( 4.826 1.037 0.360) 4.950 7.142 ( 28.776 -0.623 0.056) 28.783 7.921 ( -7.775 -1.547 0.475) 7.941 8.648 ( 4.437 -20.231 -2.495) 20.862 9.267 ( 3.086 18.525 0.921) 18.803 10.525 ( -7.615 -3.112 -0.163) 8.228 13.923 ( 4.764 1.719 0.524) 5.092 15.049 ( -9.313 -7.491 -2.050) 12.127 15.365 ( -15.572 8.450 -0.087) 17.717 15.579 ( -4.465 -3.158 0.525) 5.494 15.991 ( -6.157 0.406 -3.460) 7.074 16.638 ( 8.975 -0.745 7.040) 11.431 16.994 ( 9.722 -0.392 -0.066) 9.731 18.697 ( -1.699 -1.730 -8.144) 8.497 18.978 ( 0.506 0.970 0.053) 1.095 19.035 ( 0.360 0.789 -0.691) 1.109 19.143 ( 0.863 -0.191 0.295) 0.931 19.350 ( 4.719 0.897 1.490) 5.029 ======================= Grid point 182 (94/226) ======================= q-point: ( 0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -2.305 18.689 2.972) 19.064 1.913 ( 6.327 22.952 8.919) 25.424 3.000 ( 3.351 -4.691 1.902) 6.071 3.457 ( -6.072 -2.195 1.578) 6.646 3.736 ( -19.178 -0.148 4.584) 19.719 3.810 ( -1.239 -2.906 -7.738) 8.358 4.313 ( 2.537 -9.402 -5.394) 11.132 4.607 ( -3.128 2.185 0.487) 3.846 5.048 ( 6.955 4.581 -0.399) 8.338 5.402 ( -9.048 12.196 7.000) 16.722 6.297 ( -5.284 3.681 0.288) 6.446 6.400 ( -2.737 0.643 0.278) 2.825 7.001 ( 1.447 -5.619 0.178) 5.805 7.623 ( 15.288 -19.949 -2.350) 25.243 7.787 ( 0.995 -0.194 1.326) 1.669 8.445 ( 19.211 9.439 -0.431) 21.409 9.479 ( -18.535 -10.712 -0.892) 21.426 10.280 ( -2.286 12.197 -1.717) 12.527 13.955 ( -2.204 -5.287 -0.948) 5.806 14.812 ( 2.546 13.202 -1.296) 13.508 15.194 ( -13.795 7.791 -0.033) 15.843 15.477 ( -6.068 4.329 -1.686) 7.642 15.860 ( -0.783 3.378 -1.927) 3.967 16.978 ( 4.472 -2.720 6.152) 8.077 17.230 ( 6.346 -6.212 7.829) 11.838 18.467 ( 0.985 3.969 -16.899) 17.387 18.974 ( 0.008 0.354 -0.439) 0.564 19.067 ( 0.269 -0.526 -0.763) 0.965 19.096 ( -0.705 0.793 0.440) 1.149 19.317 ( -2.479 -5.649 -0.447) 6.186 ======================= Grid point 183 (95/226) ======================= q-point: ( 0.27 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -2.909 12.519 11.354) 17.150 2.333 ( -4.371 25.393 2.588) 25.896 2.974 ( 0.435 -8.088 4.287) 9.165 3.175 ( -13.917 2.816 -7.972) 16.284 3.624 ( -6.304 17.757 5.162) 19.537 3.817 ( 9.420 -12.442 -4.253) 16.175 4.232 ( 2.840 -11.537 -0.284) 11.885 4.571 ( -3.276 1.093 -1.087) 3.620 5.164 ( 3.470 2.582 -3.536) 5.587 5.418 ( -6.515 9.532 7.749) 13.905 6.270 ( -3.597 5.605 1.445) 6.815 6.353 ( -2.418 -0.527 -0.623) 2.552 6.959 ( 1.202 -7.214 -0.349) 7.322 7.654 ( 13.012 -19.900 -0.751) 23.789 7.811 ( 0.238 1.890 0.356) 1.937 8.818 ( 2.318 -1.338 -1.302) 2.976 9.122 ( 0.529 1.032 -0.316) 1.202 10.318 ( -6.601 11.200 -1.634) 13.102 13.904 ( 2.249 -3.020 -0.615) 3.815 14.971 ( -3.987 7.648 -1.605) 8.773 15.072 ( -7.007 16.350 0.053) 17.788 15.406 ( -5.907 4.484 -1.065) 7.493 15.869 ( -1.411 3.587 -2.366) 4.523 17.030 ( 1.769 -1.833 4.037) 4.774 17.287 ( 2.722 -5.560 9.136) 11.036 18.444 ( 2.312 2.674 -19.787) 20.100 18.973 ( -0.267 -0.037 -0.123) 0.296 19.074 ( 1.092 -0.404 -0.949) 1.503 19.092 ( -0.417 0.664 0.104) 0.791 19.232 ( -0.894 -5.356 2.502) 5.978 ======================= Grid point 184 (96/226) ======================= q-point: ( 0.36 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -11.630 7.005 8.180) 15.850 2.156 ( -19.627 13.528 2.024) 23.923 2.978 ( 5.498 -5.537 1.512) 7.948 3.149 ( 1.970 3.276 0.452) 3.850 3.771 ( 4.890 -1.413 -9.019) 10.356 3.839 ( -0.711 11.181 3.422) 11.714 4.263 ( 11.914 -4.025 3.440) 13.038 4.507 ( -3.693 0.788 -1.514) 4.068 5.175 ( -1.361 0.401 -4.851) 5.055 5.430 ( -7.682 9.677 8.055) 14.749 6.291 ( -2.297 6.415 2.008) 7.103 6.320 ( -0.719 0.149 -0.165) 0.753 6.909 ( 1.990 -7.742 -0.500) 8.009 7.652 ( 10.411 -23.078 -0.406) 25.321 7.834 ( -0.112 3.051 -0.420) 3.081 8.490 ( -15.346 -9.246 -2.057) 18.034 9.516 ( 21.105 10.974 0.434) 23.792 10.255 ( -11.201 9.012 -1.597) 14.465 13.966 ( 6.811 -0.833 -0.049) 6.862 14.809 ( -13.097 4.113 -2.663) 13.984 15.232 ( -2.279 16.334 0.976) 16.521 15.412 ( 1.974 9.111 -0.572) 9.340 15.852 ( -2.825 3.021 -2.613) 4.892 17.041 ( 0.846 -4.061 2.253) 4.721 17.312 ( 0.826 -6.355 11.596) 13.249 18.387 ( -0.658 3.908 -19.908) 20.299 18.965 ( -0.197 -0.748 0.212) 0.802 19.059 ( -0.788 -0.699 -0.557) 1.192 19.120 ( 2.398 0.423 -1.413) 2.815 19.217 ( 1.663 -3.227 3.668) 5.161 ======================= Grid point 185 (97/226) ======================= q-point: ( 0.45 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -6.504 3.715 0.844) 7.538 2.230 ( -3.012 15.943 3.067) 16.512 3.047 ( 5.623 -1.503 1.153) 5.933 3.170 ( -2.052 -3.860 6.967) 8.225 3.694 ( 3.998 -17.287 -1.863) 17.841 3.938 ( -1.231 10.144 -3.211) 10.711 4.375 ( -1.025 1.565 -5.602) 5.906 4.652 ( 13.121 11.315 2.246) 17.471 5.074 ( -7.091 -2.154 -4.087) 8.463 5.454 ( -7.545 15.209 9.580) 19.494 6.317 ( -0.808 1.023 0.709) 1.484 6.341 ( 0.341 5.469 1.281) 5.628 6.867 ( 1.878 -7.833 -0.317) 8.061 7.493 ( -0.699 -26.156 -1.288) 26.197 7.878 ( 1.623 4.533 -0.211) 4.820 8.271 ( 0.383 -7.112 -1.639) 7.308 9.843 ( -0.843 8.921 -0.053) 8.961 10.183 ( 1.147 6.603 -1.282) 6.823 14.052 ( 1.928 -0.922 -0.407) 2.176 14.686 ( -1.816 3.543 -2.035) 4.472 15.307 ( -3.671 12.797 0.984) 13.350 15.619 ( 6.572 13.361 -0.441) 14.896 15.816 ( -2.483 2.071 -2.077) 3.843 17.000 ( -0.753 -6.242 1.156) 6.393 17.281 ( -1.872 -11.919 12.272) 17.209 18.343 ( -0.832 9.930 -16.024) 18.870 18.956 ( 0.025 -1.154 0.347) 1.205 19.040 ( -0.479 -0.490 -0.245) 0.728 19.146 ( 1.101 0.056 -1.771) 2.086 19.236 ( 1.815 -2.874 2.096) 3.994 ======================= Grid point 186 (98/226) ======================= q-point: ( 0.55 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 21.090 5.915 0.797) 21.918 2.349 ( -0.713 13.447 -0.689) 13.484 3.081 ( -4.695 -3.261 3.701) 6.810 3.135 ( 2.313 0.541 2.410) 3.384 3.589 ( 4.101 -18.420 3.742) 19.238 3.991 ( 1.211 5.089 -4.263) 6.749 4.374 ( 1.825 3.455 -4.290) 5.803 4.855 ( -9.050 -2.110 0.065) 9.292 4.886 ( -2.506 5.219 -3.936) 7.000 5.613 ( 0.042 20.504 8.908) 22.356 6.306 ( -2.081 0.944 1.824) 2.924 6.422 ( 3.500 2.691 -1.123) 4.555 6.810 ( 0.144 -7.299 0.653) 7.329 7.174 ( -6.941 -21.098 -1.290) 22.248 7.976 ( 3.524 6.236 0.060) 7.163 8.302 ( 12.210 -9.539 -1.345) 15.553 9.673 ( -21.160 6.360 -1.018) 22.118 10.395 ( 11.874 4.334 -0.458) 12.649 13.983 ( -6.440 -1.447 -1.337) 6.735 14.815 ( 11.985 2.696 -0.176) 12.286 15.397 ( 0.293 11.415 -0.145) 11.420 15.734 ( -3.361 4.428 -3.287) 6.458 15.895 ( 6.950 7.908 2.007) 10.718 16.913 ( -2.837 -6.041 0.660) 6.707 17.140 ( -5.220 -14.122 8.365) 17.223 18.405 ( 1.904 12.999 -8.816) 15.821 18.945 ( -0.173 -1.528 0.608) 1.653 19.031 ( -0.162 -0.047 0.002) 0.169 19.136 ( -0.981 -0.593 -1.541) 1.921 19.234 ( 0.700 -3.229 0.500) 3.342 ======================= Grid point 187 (99/226) ======================= q-point: ( 0.64 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -1.055 2.746 -0.306) 2.957 2.529 ( 24.201 7.764 -0.567) 25.423 3.079 ( 6.931 1.904 1.599) 7.363 3.138 ( -4.027 2.654 -1.301) 4.995 3.540 ( 6.430 -13.983 6.348) 16.648 4.013 ( -0.959 0.719 -5.420) 5.551 4.448 ( 2.492 4.749 -0.457) 5.382 4.598 ( -11.601 -5.444 1.633) 12.919 4.842 ( -9.002 5.491 -1.686) 10.679 5.854 ( 4.380 11.792 2.186) 12.768 6.296 ( -1.486 2.307 1.402) 3.081 6.446 ( 1.069 -5.878 -1.277) 6.110 6.767 ( -0.541 -2.049 2.430) 3.224 6.900 ( -6.113 -9.222 -1.270) 11.136 8.098 ( 4.705 3.959 -0.351) 6.159 8.458 ( 15.998 -6.508 -0.337) 17.274 9.333 ( -23.339 2.983 -1.009) 23.551 10.590 ( 7.561 2.072 -0.295) 7.846 13.855 ( -5.508 -1.391 -0.958) 5.761 15.062 ( 12.951 2.230 0.524) 13.152 15.528 ( 4.333 7.518 -1.388) 8.787 15.684 ( -3.289 0.435 -2.024) 3.886 16.075 ( 4.414 4.973 2.527) 7.113 16.800 ( -5.027 -3.811 -0.008) 6.309 16.951 ( -6.272 -9.076 3.265) 11.506 18.554 ( 4.593 11.463 -2.501) 12.600 18.920 ( -1.361 -2.201 1.021) 2.782 19.035 ( 0.247 0.537 0.345) 0.684 19.095 ( -1.785 -0.944 -1.217) 2.358 19.206 ( 0.096 -3.496 -0.494) 3.532 ======================= Grid point 188 (100/226) ======================= q-point: (-0.27 -0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( -2.353 -5.092 -1.714) 5.866 2.907 ( -2.661 10.651 5.432) 12.248 3.014 ( 5.984 -3.203 -6.272) 9.242 3.422 ( 20.453 2.280 0.970) 20.603 3.584 ( 5.665 -2.191 2.405) 6.533 3.829 ( -13.686 -9.431 -2.863) 16.865 4.425 ( 0.304 -5.061 1.789) 5.376 4.566 ( 0.918 7.347 0.859) 7.454 4.731 ( -8.585 5.668 0.007) 10.287 5.990 ( 7.732 -2.250 -2.587) 8.458 6.298 ( -2.072 -0.086 1.649) 2.650 6.394 ( -2.865 2.849 0.896) 4.139 6.680 ( -4.689 -4.612 -0.756) 6.621 6.842 ( -0.288 3.210 0.451) 3.254 8.185 ( 4.384 -2.375 -0.496) 5.010 8.702 ( 15.206 1.867 0.439) 15.326 8.965 ( -20.336 -0.679 -0.507) 20.353 10.684 ( 2.860 -0.273 -0.122) 2.876 13.781 ( -1.690 -0.432 -0.189) 1.755 15.260 ( 6.950 1.586 0.550) 7.150 15.621 ( -1.400 -3.189 -0.234) 3.491 15.649 ( 4.680 1.942 -1.549) 5.299 16.149 ( 0.499 -0.001 1.969) 2.032 16.679 ( -6.527 -0.531 -0.251) 6.553 16.815 ( -4.131 -1.213 -1.043) 4.430 18.739 ( 6.134 7.494 1.508) 9.801 18.863 ( -3.170 -1.704 0.045) 3.599 19.052 ( 0.443 0.769 0.276) 0.929 19.061 ( -0.671 -0.239 -0.234) 0.750 19.177 ( 1.062 -3.170 -0.614) 3.399 ======================= Grid point 189 (101/226) ======================= q-point: (-0.18 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 3.560 -4.150 0.189) 5.471 2.708 ( -17.809 2.807 -0.461) 18.035 3.049 ( -11.623 -17.705 -1.163) 21.211 3.546 ( 10.751 -8.143 1.191) 13.540 3.623 ( 1.330 4.153 -3.498) 5.590 3.784 ( 5.132 6.818 3.132) 9.090 4.453 ( 5.316 -2.876 0.521) 6.067 4.645 ( -0.179 5.995 1.653) 6.222 4.698 ( -1.858 6.443 -1.837) 6.952 6.067 ( 3.488 -6.514 0.127) 7.390 6.238 ( -7.210 5.606 3.343) 9.725 6.420 ( 3.867 6.536 -5.966) 9.657 6.601 ( -1.065 -2.802 2.788) 4.093 6.873 ( 0.926 2.063 -0.529) 2.322 8.178 ( -1.140 -5.032 0.100) 5.160 8.619 ( -9.140 -13.301 -1.482) 16.207 9.031 ( 10.471 15.485 1.380) 18.744 10.681 ( -1.315 -2.894 0.045) 3.179 13.791 ( 2.069 1.547 0.376) 2.610 15.280 ( -3.294 -4.493 -0.359) 5.583 15.600 ( 1.546 -2.632 1.580) 3.437 15.689 ( 0.042 -0.821 -0.360) 0.897 16.131 ( -1.686 -1.638 -0.365) 2.379 16.580 ( -5.236 1.601 0.184) 5.478 16.785 ( 0.684 2.494 -2.165) 3.372 18.769 ( -2.335 -4.762 0.654) 5.344 18.915 ( 3.343 7.069 -0.768) 7.858 19.040 ( -0.618 0.111 -0.913) 1.108 19.087 ( 1.436 0.778 1.329) 2.105 19.194 ( 3.702 -0.717 0.892) 3.874 ======================= Grid point 190 (102/226) ======================= q-point: (-0.09 0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -9.424 -13.275 1.046) 16.314 2.416 ( -19.771 3.919 2.448) 20.303 2.567 ( -3.914 -15.600 -1.791) 16.183 3.586 ( -2.053 2.872 -3.805) 5.190 3.815 ( 8.968 -8.300 3.829) 12.805 3.910 ( 10.247 8.240 0.392) 13.155 4.501 ( 0.970 -0.864 1.493) 1.979 4.695 ( 0.246 2.485 0.611) 2.571 4.740 ( -0.505 7.594 -5.018) 9.116 5.873 ( -23.502 8.665 2.866) 25.212 6.274 ( 1.971 3.158 -0.651) 3.779 6.562 ( -2.240 -1.078 3.412) 4.222 6.675 ( 22.147 0.295 -2.159) 22.254 6.917 ( 3.402 0.405 -0.827) 3.524 8.054 ( -8.389 -3.321 0.828) 9.060 8.378 ( 0.380 -19.458 -2.463) 19.617 9.365 ( 8.016 19.035 1.035) 20.680 10.587 ( -4.895 -5.584 -0.020) 7.426 13.875 ( 4.262 3.744 0.522) 5.696 15.102 ( -7.804 -9.718 -1.221) 12.523 15.583 ( -2.783 -1.636 1.776) 3.685 15.652 ( -5.328 3.387 -0.213) 6.317 16.059 ( -4.105 -2.055 -2.249) 5.112 16.567 ( 2.023 0.932 3.147) 3.855 16.855 ( 5.828 1.402 -0.860) 6.056 18.686 ( -2.651 -2.459 -2.912) 4.643 18.980 ( 0.377 1.175 -0.133) 1.241 19.037 ( 0.102 1.523 -1.216) 1.951 19.120 ( 1.498 -0.308 -0.146) 1.537 19.291 ( 4.919 2.347 2.086) 5.835 ======================= Grid point 193 (103/226) ======================= q-point: ( 0.18 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 16.284 25.948 -0.095) 30.634 2.181 ( -10.829 7.609 6.948) 14.948 2.871 ( 10.693 -2.248 0.492) 10.937 3.488 ( 1.675 -8.536 -2.409) 9.026 3.677 ( -8.200 1.141 9.903) 12.908 4.112 ( 6.224 -8.839 -8.476) 13.737 4.212 ( -16.634 5.747 -4.715) 18.220 4.699 ( -3.611 1.579 0.909) 4.045 4.954 ( 4.351 -0.859 -0.547) 4.469 5.785 ( -16.380 12.563 5.081) 21.259 6.399 ( -3.413 0.717 -0.006) 3.488 6.442 ( -2.003 0.593 -2.184) 3.022 6.930 ( 0.916 -5.174 -0.171) 5.258 7.085 ( 21.112 -19.473 -0.846) 28.734 7.862 ( -3.359 6.498 2.314) 7.672 8.230 ( 15.515 6.904 -0.182) 16.982 9.640 ( -14.471 -13.030 -0.408) 19.477 10.396 ( 1.148 10.690 -0.493) 10.763 13.945 ( -3.437 -5.584 -0.688) 6.593 14.875 ( 3.558 11.653 -1.090) 12.233 15.433 ( -7.363 4.138 -0.918) 8.496 15.620 ( -6.104 3.359 -0.497) 6.985 15.924 ( -2.650 5.877 -0.791) 6.495 16.827 ( 9.542 -6.667 3.812) 12.249 17.079 ( 8.233 -6.925 8.794) 13.895 18.492 ( -5.078 6.268 -10.012) 12.857 18.975 ( 0.097 0.375 -0.387) 0.548 19.060 ( -0.284 -0.035 -0.801) 0.851 19.115 ( -0.399 0.707 0.085) 0.816 19.303 ( -2.756 -5.146 -1.299) 5.981 ======================= Grid point 194 (104/226) ======================= q-point: ( 0.27 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -2.768 8.353 6.219) 10.776 2.503 ( 13.481 29.011 -0.309) 31.992 2.969 ( 0.665 2.279 1.569) 2.846 3.360 ( -6.304 -10.365 -3.198) 12.546 3.603 ( -3.513 -4.446 6.871) 8.906 3.935 ( -12.157 3.441 -2.209) 12.826 4.100 ( -0.037 -2.121 -2.579) 3.339 4.648 ( -3.791 1.344 -0.440) 4.046 5.026 ( 7.971 -4.184 -4.640) 10.128 5.707 ( -10.248 11.667 5.706) 16.544 6.345 ( -1.698 -1.497 -0.039) 2.264 6.409 ( -3.252 4.009 -1.901) 5.501 6.874 ( 0.343 -7.816 0.321) 7.830 7.207 ( 15.917 -18.878 -0.177) 24.693 7.890 ( -3.106 7.354 1.729) 8.168 8.625 ( 19.633 8.410 0.130) 21.359 9.230 ( -15.916 -12.818 -1.174) 20.470 10.489 ( -2.320 9.640 -0.290) 9.920 13.853 ( -0.598 -4.133 -0.478) 4.203 15.057 ( 2.797 12.100 -1.197) 12.477 15.342 ( -9.117 8.362 -1.127) 12.422 15.551 ( -5.961 3.837 0.849) 7.140 15.934 ( -2.658 5.984 -1.846) 6.803 16.910 ( 7.100 -7.768 1.632) 10.650 17.185 ( 7.569 -10.147 11.841) 17.334 18.430 ( -3.939 9.308 -14.487) 17.665 18.977 ( -0.148 0.082 -0.359) 0.397 19.054 ( 0.217 -0.057 -0.770) 0.802 19.112 ( -1.076 0.622 -0.378) 1.299 19.204 ( -1.193 -6.102 1.458) 6.386 ======================= Grid point 195 (105/226) ======================= q-point: ( 0.36 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 0.018 9.292 5.338) 10.716 2.699 ( -22.420 12.813 -3.978) 26.128 2.908 ( -4.847 -5.228 6.719) 9.797 3.189 ( -0.824 6.016 -3.071) 6.805 3.532 ( 3.699 -12.442 -2.662) 13.251 4.023 ( 13.212 8.584 5.252) 16.608 4.064 ( -3.749 3.253 -0.020) 4.964 4.585 ( -4.490 0.767 -1.545) 4.810 5.079 ( 6.607 -4.937 -6.411) 10.447 5.710 ( -7.321 12.591 6.559) 15.973 6.311 ( 0.153 -1.323 -2.118) 2.502 6.411 ( -2.638 5.807 2.066) 6.705 6.806 ( 1.005 -7.969 -0.018) 8.032 7.246 ( 11.198 -20.373 -0.453) 23.252 7.911 ( -3.226 6.790 0.787) 7.558 8.652 ( -15.171 -10.241 -2.270) 18.444 9.243 ( 21.127 7.289 0.778) 22.362 10.489 ( -7.389 7.223 -0.283) 10.337 13.858 ( 4.523 -1.428 0.073) 4.744 15.047 ( -11.619 3.097 -2.049) 12.198 15.396 ( 1.744 15.759 -0.317) 15.858 15.512 ( -4.750 5.572 2.013) 7.594 15.924 ( -3.313 4.677 -3.076) 6.505 16.935 ( 4.726 -8.059 0.121) 9.343 17.239 ( 4.854 -12.773 11.776) 18.039 18.398 ( -3.012 11.410 -15.521) 19.498 18.964 ( -0.492 -1.137 0.109) 1.244 19.055 ( 0.107 -0.545 -0.758) 0.940 19.089 ( 0.145 -0.438 -1.110) 1.202 19.187 ( 1.446 -2.460 4.066) 4.967 ======================= Grid point 196 (106/226) ======================= q-point: ( 0.45 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.130 ( -25.190 0.340 -1.240) 25.222 2.452 ( -5.152 13.529 0.267) 14.479 2.917 ( 5.067 -2.842 0.967) 5.890 3.216 ( -2.070 -0.132 3.410) 3.992 3.466 ( 4.066 -13.477 0.843) 14.102 4.037 ( -2.836 2.981 0.676) 4.170 4.364 ( 5.323 6.814 -3.373) 9.281 4.573 ( 7.074 7.363 1.226) 10.284 5.078 ( 1.149 -3.606 -5.117) 6.365 5.770 ( -5.975 15.835 7.574) 18.542 6.315 ( 1.586 0.961 -1.687) 2.507 6.422 ( -2.739 1.906 2.925) 4.438 6.768 ( 2.083 -4.939 -0.156) 5.363 7.174 ( 6.011 -23.461 -1.477) 24.264 7.930 ( -1.918 6.363 0.184) 6.648 8.302 ( -11.653 -7.809 -2.447) 14.240 9.688 ( 20.954 6.034 0.460) 21.810 10.382 ( -11.760 4.948 -0.361) 12.764 13.960 ( 7.176 0.027 0.402) 7.187 14.836 ( -12.509 1.533 -1.898) 12.745 15.486 ( -4.817 7.582 1.917) 9.185 15.631 ( 6.431 12.213 0.404) 13.809 15.884 ( -3.991 3.236 -3.654) 6.305 16.920 ( 2.525 -7.106 -0.827) 7.586 17.209 ( 1.524 -14.851 8.926) 17.394 18.405 ( -1.806 12.624 -11.250) 17.006 18.948 ( -0.106 -1.451 0.579) 1.566 19.041 ( -0.381 -0.553 -0.201) 0.701 19.104 ( 2.014 -0.033 -1.925) 2.786 19.214 ( 0.965 -1.199 4.151) 4.428 ======================= Grid point 197 (107/226) ======================= q-point: ( 0.55 0.55 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -2.080 1.146 -2.598) 3.520 2.512 ( -3.697 10.925 -1.732) 11.663 3.003 ( 7.955 -2.104 -4.106) 9.196 3.149 ( -3.155 -6.757 4.924) 8.937 3.421 ( 1.313 -9.245 7.185) 11.782 4.030 ( -1.742 2.761 -0.273) 3.276 4.371 ( -0.076 3.133 -3.057) 4.378 4.859 ( 9.238 8.901 -0.637) 12.844 4.981 ( -6.561 -3.518 -2.922) 7.998 5.875 ( -4.070 13.141 6.904) 15.392 6.350 ( -0.004 2.162 0.834) 2.317 6.389 ( 0.094 -3.566 -0.361) 3.585 6.772 ( 0.386 0.822 0.754) 1.180 7.006 ( 1.111 -19.062 -1.706) 19.170 7.984 ( 1.473 5.632 -0.189) 5.825 8.122 ( -0.517 -5.632 -1.948) 5.982 9.959 ( -1.014 3.250 -0.694) 3.475 10.266 ( 0.648 2.460 0.132) 2.548 14.037 ( 0.009 -0.176 -0.281) 0.332 14.723 ( -0.006 1.724 -0.211) 1.737 15.491 ( -2.110 4.661 0.555) 5.146 15.813 ( -3.561 3.744 -4.713) 6.994 15.861 ( 6.474 5.994 2.833) 9.267 16.879 ( 0.361 -4.595 -1.974) 5.014 17.104 ( -1.774 -12.381 4.824) 13.406 18.472 ( 0.410 11.485 -4.773) 12.444 18.938 ( -0.056 -1.159 0.860) 1.444 19.033 ( -0.121 -0.064 0.177) 0.224 19.121 ( 1.053 -0.121 -2.491) 2.708 19.224 ( -0.788 -1.332 3.620) 3.937 ======================= Grid point 198 (108/226) ======================= q-point: (-0.36 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 25.835 2.527 -3.139) 26.147 2.487 ( -5.440 1.450 -3.799) 6.792 3.004 ( 0.231 -3.660 -8.637) 9.383 3.167 ( 7.916 -2.413 7.097) 10.902 3.398 ( -1.766 -3.191 9.321) 10.009 4.022 ( -1.271 1.296 -1.775) 2.539 4.444 ( 3.816 5.213 0.755) 6.504 4.748 ( -12.928 -8.141 0.007) 15.277 5.004 ( -1.211 8.277 -1.240) 8.456 5.894 ( -1.065 -4.867 0.469) 5.004 6.361 ( -1.297 3.970 1.325) 4.382 6.373 ( 1.308 -3.161 -0.539) 3.463 6.789 ( -1.351 -0.734 1.673) 2.272 6.892 ( -1.276 1.209 -0.685) 1.886 8.028 ( 2.966 -3.716 -1.129) 4.886 8.202 ( 11.185 3.717 -0.286) 11.790 9.729 ( -21.203 0.351 -0.940) 21.227 10.435 ( 11.501 -0.037 0.079) 11.502 13.956 ( -7.148 -0.331 -0.596) 7.181 14.862 ( 12.092 1.665 1.177) 12.263 15.513 ( 1.560 1.198 -1.135) 2.271 15.730 ( -4.119 -1.798 -2.449) 5.118 16.031 ( 6.020 1.314 3.413) 7.044 16.825 ( -1.840 -0.760 -4.630) 5.040 16.984 ( -3.933 -4.720 1.671) 6.367 18.587 ( 2.710 8.575 0.685) 9.019 18.929 ( -0.582 -0.727 1.187) 1.509 19.039 ( 0.242 0.588 0.603) 0.876 19.110 ( -0.874 -0.258 -1.638) 1.875 19.195 ( -2.198 -2.049 1.888) 3.549 ======================= Grid point 199 (109/226) ======================= q-point: (-0.27 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( -5.146 -6.943 -2.865) 9.104 2.609 ( 30.431 2.979 -6.153) 31.190 2.951 ( 3.269 -5.012 -7.574) 9.653 3.367 ( 13.155 -8.000 6.284) 16.630 3.393 ( -5.121 11.430 9.094) 15.478 3.948 ( -8.727 -1.485 -3.327) 9.457 4.411 ( -8.261 -13.839 4.092) 16.628 4.595 ( 3.458 4.722 0.632) 5.887 4.998 ( -8.916 10.158 0.209) 13.517 5.809 ( 4.470 -12.545 -4.508) 14.059 6.342 ( -1.881 -0.197 1.298) 2.294 6.421 ( 2.714 2.629 -0.417) 3.802 6.735 ( -3.806 -0.063 1.640) 4.145 6.931 ( -3.846 10.780 -0.631) 11.463 8.039 ( 5.108 -7.321 -0.729) 8.956 8.495 ( 15.391 8.492 0.370) 17.583 9.330 ( -23.529 -2.558 -0.417) 23.671 10.584 ( 7.383 -2.373 -0.002) 7.755 13.843 ( -5.379 0.528 0.094) 5.406 15.100 ( 12.618 0.606 1.211) 12.690 15.555 ( 4.482 -1.798 -1.417) 5.033 15.618 ( -3.109 -6.831 -0.640) 7.532 16.111 ( 3.180 -4.354 3.942) 6.679 16.760 ( -3.726 3.343 -7.703) 9.186 16.905 ( -5.072 2.938 -0.201) 5.865 18.725 ( 3.917 4.179 4.985) 7.593 18.912 ( -1.940 1.013 0.658) 2.285 19.059 ( 0.368 1.421 0.745) 1.646 19.078 ( -1.670 -0.089 0.360) 1.710 19.144 ( -1.095 -2.431 -0.572) 2.727 ======================= Grid point 200 (110/226) ======================= q-point: (-0.18 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 0.197 -6.609 -2.168) 6.959 2.816 ( -2.108 -6.683 -6.660) 9.668 3.115 ( 23.580 -5.247 -2.857) 24.325 3.275 ( -18.851 -2.763 6.958) 20.284 3.517 ( 3.389 -11.157 -4.087) 12.356 3.843 ( 3.309 14.082 3.782) 14.952 4.302 ( 5.324 -9.188 3.832) 11.290 4.682 ( 1.346 2.525 1.428) 3.197 4.932 ( -10.523 10.694 0.254) 15.005 5.798 ( 11.156 -11.476 -4.636) 16.663 6.328 ( -0.601 1.152 0.768) 1.510 6.489 ( 3.414 0.713 -0.588) 3.536 6.687 ( -7.849 8.586 1.559) 11.737 6.934 ( -5.310 7.317 -1.582) 9.178 8.039 ( 4.785 -9.637 -0.482) 10.770 8.732 ( -6.861 -1.487 -0.255) 7.025 9.039 ( 0.697 8.464 1.313) 8.593 10.633 ( 2.574 -4.874 0.125) 5.514 13.804 ( -0.984 2.486 0.757) 2.779 15.239 ( 2.914 -4.851 0.303) 5.668 15.521 ( 2.200 -7.495 1.053) 7.882 15.615 ( 5.551 -2.894 -0.159) 6.262 16.106 ( 0.745 -5.967 2.834) 6.648 16.685 ( -5.232 4.726 -8.362) 10.937 16.864 ( -4.888 6.605 -1.276) 8.316 18.778 ( -2.009 -4.223 6.986) 8.407 18.937 ( 1.434 5.962 -1.689) 6.360 19.053 ( -0.985 0.990 -0.856) 1.638 19.083 ( -0.088 -0.047 0.382) 0.395 19.145 ( 3.100 0.996 1.961) 3.801 ======================= Grid point 201 (111/226) ======================= q-point: (-0.09 -0.45 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 8.159 -3.841 0.610) 9.039 2.472 ( -18.121 -27.171 -1.437) 32.691 2.852 ( -19.184 -0.496 0.783) 19.206 3.399 ( 11.132 -3.093 -0.661) 11.573 3.551 ( 12.452 -2.134 -7.726) 14.809 4.045 ( -2.644 11.968 5.638) 13.492 4.401 ( 9.814 -3.924 3.879) 11.259 4.713 ( 0.133 1.482 0.129) 1.494 4.869 ( -6.831 7.687 -1.288) 10.364 5.909 ( 15.851 -10.256 -2.614) 19.059 6.356 ( 1.157 2.585 0.392) 2.860 6.521 ( -1.338 2.426 -1.839) 3.326 6.659 ( -8.339 12.711 2.883) 15.474 6.905 ( -2.238 3.081 -2.027) 4.314 8.005 ( 3.326 -10.568 -0.521) 11.091 8.396 ( -16.900 -8.885 0.527) 19.100 9.368 ( 12.903 16.533 1.151) 21.003 10.580 ( -1.726 -7.429 0.193) 7.630 13.862 ( 2.708 4.805 0.981) 5.602 15.110 ( -5.736 -11.267 -0.472) 12.652 15.544 ( 4.143 -4.710 1.318) 6.410 15.684 ( 3.814 -0.461 1.556) 4.145 16.058 ( -0.788 -5.604 0.854) 5.723 16.605 ( -3.953 3.675 -6.197) 8.218 16.858 ( -2.423 6.028 -0.707) 6.535 18.712 ( -3.597 -2.961 3.298) 5.708 18.985 ( 0.262 1.033 -0.193) 1.083 19.050 ( -0.355 1.994 -1.441) 2.485 19.090 ( 1.412 -0.190 -0.794) 1.631 19.257 ( 4.338 4.003 3.213) 6.721 ======================= Grid point 204 (112/226) ======================= q-point: ( 0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 16.100 23.079 3.327) 28.335 2.423 ( -6.743 -1.613 0.726) 6.971 2.602 ( 13.279 -3.145 4.685) 14.429 3.486 ( -4.546 5.562 -3.269) 7.893 3.725 ( 10.463 -2.898 -3.047) 11.277 4.036 ( -12.458 -3.288 -1.261) 12.947 4.431 ( -6.839 4.661 -0.884) 8.324 4.716 ( 1.996 -2.436 0.753) 3.238 4.925 ( -2.078 -2.567 1.803) 3.763 6.002 ( 9.389 -8.050 -1.798) 12.498 6.372 ( -0.218 -4.697 0.241) 4.708 6.446 ( 1.232 1.613 -4.047) 4.527 6.776 ( -7.049 -2.352 4.053) 8.464 6.902 ( -0.690 0.379 -2.328) 2.457 7.973 ( 3.584 4.002 0.948) 5.455 8.119 ( 3.061 11.714 2.503) 12.363 9.700 ( -9.466 -16.009 0.037) 18.598 10.442 ( 4.431 8.914 -0.168) 9.956 13.954 ( -4.115 -5.241 -0.534) 6.685 14.908 ( 4.823 10.452 -0.276) 11.515 15.518 ( -0.502 1.299 -0.859) 1.636 15.694 ( -1.025 -1.611 -0.950) 2.132 16.028 ( -0.746 5.864 2.001) 6.241 16.621 ( 7.261 -5.790 1.633) 9.429 16.960 ( 2.024 -3.575 4.090) 5.797 18.619 ( -5.626 5.584 -1.632) 8.094 18.975 ( -0.041 0.262 -0.371) 0.456 19.067 ( -0.612 0.329 -0.389) 0.796 19.120 ( 0.296 0.475 -0.461) 0.724 19.303 ( -3.725 -4.237 -2.344) 6.109 ======================= Grid point 205 (113/226) ======================= q-point: ( 0.27 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -1.378 3.289 3.470) 4.976 2.528 ( 15.117 26.140 1.351) 30.227 2.851 ( 15.541 -0.160 2.000) 15.670 3.373 ( -10.642 1.015 -2.632) 11.009 3.795 ( -8.413 0.093 6.722) 10.769 3.849 ( 5.021 -9.515 -7.160) 12.923 4.335 ( -11.629 8.638 0.518) 14.496 4.697 ( -1.402 -3.234 -0.751) 3.604 4.844 ( 0.552 -7.374 -2.366) 7.764 5.976 ( -6.356 4.360 0.326) 7.714 6.319 ( 0.264 -5.919 -1.124) 6.030 6.464 ( 0.120 3.153 -2.769) 4.198 6.737 ( 5.323 -12.490 4.845) 14.415 6.898 ( 3.392 -2.090 -1.917) 4.422 8.046 ( -2.659 8.691 1.717) 9.250 8.407 ( 15.268 11.058 1.261) 18.893 9.332 ( -13.666 -17.267 -0.988) 22.043 10.578 ( 1.586 7.692 0.094) 7.854 13.838 ( -2.792 -4.366 -0.410) 5.198 15.106 ( 4.675 12.036 -0.766) 12.935 15.510 ( -3.767 4.764 -0.649) 6.108 15.652 ( -2.468 0.948 -0.547) 2.700 16.059 ( -4.020 6.734 1.195) 7.933 16.698 ( 8.588 -8.456 1.307) 12.123 16.997 ( 6.513 -8.935 5.483) 12.342 18.573 ( -6.448 9.313 -4.706) 12.266 18.975 ( -0.037 -0.312 -0.661) 0.732 19.056 ( -0.634 0.309 -0.682) 0.981 19.130 ( 0.259 0.575 0.415) 0.755 19.177 ( -3.197 -6.083 -1.207) 6.977 ======================= Grid point 206 (114/226) ======================= q-point: ( 0.36 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 2.596 2.946 4.080) 5.662 2.902 ( 2.829 14.087 -1.043) 14.406 3.066 ( 1.774 -12.669 -4.839) 13.677 3.230 ( -6.194 17.844 2.261) 19.023 3.608 ( -18.886 -3.574 0.855) 19.240 3.811 ( 10.538 -4.793 2.803) 11.911 4.278 ( -7.208 11.029 2.832) 13.477 4.627 ( -2.087 -2.995 -1.977) 4.152 4.828 ( 9.442 -8.668 -5.627) 13.998 5.953 ( -5.121 9.703 3.436) 11.497 6.271 ( 0.794 -3.346 -2.046) 4.002 6.480 ( -0.318 0.872 -0.241) 0.959 6.706 ( 2.355 -8.848 1.879) 9.347 6.935 ( 6.336 -8.445 -1.277) 10.634 8.073 ( -5.175 8.895 1.442) 10.391 8.727 ( 1.541 0.586 -0.733) 1.804 9.015 ( 4.063 -6.438 0.049) 7.613 10.633 ( -2.727 5.163 0.130) 5.840 13.793 ( 1.333 -1.715 0.109) 2.175 15.216 ( -4.260 5.256 -1.181) 6.868 15.508 ( -1.299 8.907 0.386) 9.010 15.637 ( -2.543 3.729 0.454) 4.536 16.036 ( -5.459 5.252 -0.870) 7.625 16.751 ( 7.164 -8.378 -0.030) 11.024 17.041 ( 7.381 -12.421 4.815) 15.229 18.541 ( -6.138 11.647 -6.411) 14.643 18.952 ( -0.280 -2.937 -0.384) 2.976 19.049 ( -0.176 -0.024 -0.493) 0.524 19.088 ( -1.398 -1.320 -1.028) 2.181 19.160 ( 1.820 -0.688 3.039) 3.609 ======================= Grid point 207 (115/226) ======================= q-point: ( 0.45 0.64 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -0.183 3.642 1.748) 4.044 2.729 ( -19.366 -9.291 0.381) 21.482 2.923 ( -10.429 8.534 -8.834) 16.113 3.226 ( -0.864 -1.638 -0.222) 1.866 3.396 ( -3.806 -2.902 7.013) 8.490 4.055 ( 7.389 3.268 3.273) 8.717 4.340 ( 3.249 10.138 0.337) 10.651 4.560 ( -0.259 -0.694 -1.518) 1.689 4.915 ( 9.905 -4.601 -4.308) 11.740 6.009 ( -3.667 9.245 6.747) 12.018 6.273 ( 2.616 0.399 -2.737) 3.807 6.436 ( -0.551 -8.287 0.767) 8.341 6.711 ( 2.476 0.818 0.163) 2.613 6.911 ( 3.173 -10.607 -1.880) 11.230 8.065 ( -5.344 6.960 0.795) 8.811 8.448 ( -15.472 -6.745 -2.473) 17.059 9.356 ( 23.472 2.902 1.121) 23.677 10.585 ( -7.676 2.738 -0.003) 8.149 13.851 ( 5.783 0.360 0.613) 5.827 15.067 ( -13.406 0.724 -0.871) 13.454 15.618 ( -3.800 1.862 1.712) 4.565 15.646 ( 4.467 9.247 0.869) 10.306 15.977 ( -5.320 3.574 -3.217) 7.171 16.780 ( 5.304 -6.096 -1.592) 8.236 17.043 ( 5.131 -12.473 2.702) 13.755 18.532 ( -4.284 10.454 -4.489) 12.156 18.927 ( 0.777 -2.536 0.531) 2.705 19.041 ( -0.253 -0.474 -0.019) 0.538 19.078 ( 0.499 0.906 -1.138) 1.537 19.207 ( 1.763 0.245 3.824) 4.218 ======================= Grid point 208 (116/226) ======================= q-point: (-0.45 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -24.575 -3.590 -2.829) 24.996 2.606 ( -1.320 -1.162 1.891) 2.582 2.832 ( 5.155 -1.959 -9.442) 10.935 3.176 ( -6.394 0.907 -0.831) 6.511 3.405 ( 2.519 -1.688 9.365) 9.844 4.096 ( -3.071 1.626 2.903) 4.528 4.405 ( -1.545 2.659 -1.180) 3.294 4.746 ( 13.410 8.158 0.013) 15.697 4.975 ( 2.275 -2.546 -3.077) 4.597 5.977 ( -3.574 -13.706 5.153) 15.073 6.303 ( 2.513 -2.439 -1.827) 3.950 6.404 ( -0.500 5.167 1.119) 5.310 6.763 ( 2.827 -2.483 0.168) 3.766 6.885 ( 1.503 4.665 -1.197) 5.045 8.036 ( -3.203 0.815 -0.809) 3.403 8.180 ( -10.362 1.189 -1.474) 10.534 9.750 ( 20.402 -0.088 0.318) 20.405 10.434 ( -11.784 0.612 0.023) 11.800 13.976 ( 6.685 1.073 0.597) 6.797 14.843 ( -11.707 0.242 -0.002) 11.710 15.557 ( -3.494 -2.443 1.393) 4.486 15.813 ( 6.068 4.308 1.481) 7.588 15.893 ( -5.425 0.904 -3.417) 6.475 16.797 ( 3.343 -2.553 -4.117) 5.886 17.014 ( 2.372 -7.193 0.724) 7.608 18.559 ( -1.286 7.222 -0.084) 7.336 18.929 ( 0.647 -0.811 0.914) 1.382 19.035 ( -0.042 -0.175 0.313) 0.361 19.095 ( 0.854 1.368 -2.060) 2.616 19.250 ( 0.094 0.381 4.419) 4.437 ======================= Grid point 209 (117/226) ======================= q-point: (-0.36 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 1.555 -2.069 -4.567) 5.250 2.497 ( -2.322 -11.284 -3.928) 12.172 2.930 ( 6.242 3.376 -8.417) 11.010 3.060 ( -3.610 -4.021 4.448) 6.999 3.507 ( 0.838 7.350 7.410) 10.471 4.072 ( -2.962 1.604 3.016) 4.521 4.437 ( 2.262 3.281 1.440) 4.237 4.863 ( -9.388 -7.162 -0.583) 11.823 5.014 ( 7.901 7.785 -1.677) 11.219 5.731 ( 0.537 -27.463 -1.569) 27.514 6.324 ( 2.032 -0.861 -0.013) 2.206 6.419 ( -1.881 -0.139 0.933) 2.105 6.784 ( 0.588 0.932 1.650) 1.984 7.036 ( -0.199 20.388 0.084) 20.390 7.957 ( -1.089 -4.893 -1.859) 5.346 8.149 ( 1.232 7.136 -0.245) 7.246 9.950 ( -0.919 -3.168 -1.244) 3.525 10.281 ( 0.046 -1.397 1.046) 1.746 14.041 ( -1.570 0.646 -0.058) 1.699 14.752 ( 1.607 0.380 1.478) 2.216 15.484 ( -0.545 -5.537 0.252) 5.570 15.768 ( -5.582 -4.154 -2.873) 7.528 15.941 ( 5.953 -1.857 3.298) 7.054 16.803 ( 1.280 1.974 -7.953) 8.294 17.003 ( -0.127 0.711 -0.106) 0.730 18.628 ( 1.506 4.566 4.043) 6.282 18.937 ( 0.016 0.131 1.106) 1.114 19.041 ( 0.463 0.305 0.723) 0.911 19.106 ( 0.071 1.214 -2.357) 2.652 19.250 ( -2.922 -0.255 4.231) 5.148 ======================= Grid point 210 (118/226) ======================= q-point: (-0.27 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 25.725 -3.966 -6.376) 26.799 2.307 ( -0.417 -13.256 -7.662) 15.317 2.901 ( -4.293 2.752 -5.936) 7.826 3.139 ( 9.658 -3.748 6.290) 12.119 3.640 ( -1.931 13.926 7.549) 15.957 4.056 ( -3.681 2.952 2.085) 5.159 4.482 ( -15.925 -17.674 3.876) 24.104 4.552 ( 3.975 -0.859 0.530) 4.101 5.147 ( 0.590 6.972 -2.876) 7.565 5.532 ( 6.088 -20.623 -5.450) 22.183 6.340 ( 1.457 -2.225 0.186) 2.666 6.385 ( 0.257 -2.931 0.176) 2.948 6.811 ( -1.562 4.462 2.574) 5.383 7.192 ( -7.203 22.340 -0.371) 23.475 7.913 ( 1.921 -4.889 -0.838) 5.320 8.344 ( 12.618 8.937 0.169) 15.463 9.667 ( -20.857 -5.743 -0.830) 21.649 10.400 ( 10.691 -3.803 0.779) 11.374 13.958 ( -6.993 0.655 0.301) 7.030 14.894 ( 12.064 -0.328 1.531) 12.165 15.445 ( 3.212 -7.106 -0.297) 7.804 15.601 ( -5.004 -9.197 -0.766) 10.498 16.010 ( 4.725 -5.558 3.421) 8.057 16.797 ( -1.071 5.770 -10.827) 12.315 17.014 ( -2.582 6.028 -0.575) 6.583 18.734 ( 3.071 3.212 6.914) 8.219 18.942 ( -0.427 0.687 0.943) 1.243 19.066 ( 1.255 0.845 1.644) 2.234 19.098 ( -0.891 0.931 -1.901) 2.296 19.189 ( -5.272 -1.196 2.954) 6.160 ======================= Grid point 211 (119/226) ======================= q-point: (-0.18 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 1.758 -16.480 -6.140) 17.674 2.524 ( 30.336 -5.370 -9.892) 32.357 2.828 ( -4.928 -0.116 -3.227) 5.892 3.288 ( 8.150 -3.629 3.714) 9.663 3.700 ( -16.716 5.287 7.597) 19.107 3.967 ( -5.175 5.653 0.714) 7.697 4.157 ( 2.419 -13.039 6.532) 14.782 4.649 ( 4.533 -1.361 2.544) 5.374 5.146 ( -5.437 5.615 -4.293) 8.917 5.464 ( 9.162 -14.628 -6.841) 18.567 6.335 ( 0.541 -2.229 0.636) 2.380 6.389 ( 3.968 -3.033 -0.927) 5.080 6.849 ( -1.865 6.486 3.000) 7.386 7.223 ( -12.202 20.211 -2.001) 23.694 7.901 ( 2.358 -5.681 0.183) 6.154 8.699 ( 14.353 10.785 0.635) 17.965 9.234 ( -19.899 -6.723 0.231) 21.005 10.505 ( 6.573 -5.994 0.729) 8.926 13.875 ( -4.066 2.156 1.120) 4.737 15.091 ( 10.433 -2.983 0.564) 10.865 15.385 ( 0.945 -15.362 -0.870) 15.416 15.503 ( 3.382 -3.226 1.708) 4.976 16.029 ( 2.678 -6.658 2.936) 7.754 16.765 ( -3.653 6.877 -11.462) 13.857 17.019 ( -4.731 8.209 -0.966) 9.524 18.823 ( -0.801 -0.324 8.989) 9.030 18.953 ( 0.618 2.187 -0.700) 2.378 19.078 ( -0.939 0.283 -1.860) 2.103 19.105 ( -3.409 -0.872 0.856) 3.621 19.128 ( 2.594 2.950 3.897) 5.533 ======================= Grid point 212 (120/226) ======================= q-point: (-0.09 -0.36 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 8.788 -14.561 -5.111) 17.759 2.527 ( -12.970 -28.264 2.093) 31.168 2.841 ( 9.880 0.544 -7.252) 12.267 3.329 ( 2.454 -0.833 -7.477) 7.914 3.502 ( -8.779 10.457 5.254) 14.630 4.168 ( 13.544 -0.536 10.883) 17.383 4.194 ( 1.870 5.680 3.251) 6.806 4.692 ( 2.564 -3.605 1.752) 4.758 5.048 ( -8.317 3.135 -3.965) 9.732 5.481 ( 13.969 -14.151 -7.646) 21.304 6.335 ( 1.523 -0.862 -0.326) 1.780 6.438 ( 5.495 -3.476 -0.850) 6.558 6.894 ( -2.041 6.245 2.083) 6.892 7.181 ( -15.290 21.673 -1.988) 26.598 7.876 ( 1.470 -6.550 0.858) 6.768 8.636 ( -19.554 -7.750 0.815) 21.049 9.270 ( 15.841 12.654 1.202) 20.311 10.506 ( 1.554 -8.510 0.758) 8.683 13.887 ( 0.571 4.611 1.551) 4.898 15.073 ( -3.395 -11.650 -0.111) 12.135 15.356 ( 10.595 -9.296 -0.305) 14.099 15.581 ( 6.408 -2.191 2.634) 7.266 16.003 ( 0.757 -6.699 2.026) 7.040 16.695 ( -5.676 6.375 -10.180) 13.285 17.004 ( -5.813 8.120 -0.799) 10.018 18.785 ( -5.076 -2.337 7.148) 9.073 18.987 ( 0.728 1.014 -0.239) 1.270 19.060 ( 0.491 0.393 -2.475) 2.554 19.078 ( -0.921 0.736 0.587) 1.317 19.250 ( 4.039 4.772 4.180) 7.520 ======================= Grid point 215 (121/226) ======================= q-point: ( 0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 17.356 20.603 5.494) 27.493 2.132 ( 19.750 -10.713 3.099) 22.681 2.717 ( -11.411 0.935 4.076) 12.153 3.415 ( 10.826 1.026 -9.190) 14.237 3.750 ( -10.096 10.576 -0.254) 14.623 4.190 ( -10.997 -6.475 -5.699) 13.976 4.519 ( 2.134 -6.589 0.608) 6.953 4.639 ( 1.177 -0.902 -3.211) 3.536 4.913 ( 5.389 -1.716 9.287) 10.873 5.498 ( 22.713 -10.354 -1.455) 25.004 6.366 ( 1.445 -2.705 0.894) 3.194 6.392 ( 3.012 -0.423 -2.801) 4.134 6.911 ( -3.507 1.718 -3.700) 5.379 7.154 ( -25.482 3.450 1.937) 25.788 7.889 ( 5.798 1.343 0.676) 5.990 8.307 ( -2.823 17.046 2.550) 17.465 9.648 ( -4.569 -19.118 0.307) 19.659 10.419 ( 7.209 6.997 -0.372) 10.053 13.974 ( -4.207 -4.497 -0.652) 6.193 14.908 ( 6.834 8.960 0.643) 11.287 15.463 ( 7.569 -1.764 -1.019) 7.838 15.600 ( 5.112 -6.508 -0.274) 8.280 16.035 ( 5.706 2.100 1.970) 6.392 16.569 ( -4.340 0.078 1.745) 4.679 17.000 ( -6.017 0.700 1.147) 6.165 18.752 ( -3.977 4.158 3.021) 6.499 18.978 ( -0.388 0.035 -0.449) 0.595 19.074 ( -0.017 -0.595 0.390) 0.711 19.119 ( 0.056 1.326 -1.158) 1.762 19.316 ( -3.850 -3.340 -4.276) 6.653 ======================= Grid point 216 (122/226) ======================= q-point: ( 0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 4.723 -3.698 0.717) 6.041 2.439 ( 20.659 18.753 4.259) 28.225 2.703 ( 5.913 8.009 7.246) 12.313 3.589 ( 12.718 -4.228 -6.205) 14.769 3.632 ( -13.311 10.705 -5.802) 18.040 3.890 ( -8.542 -12.222 -0.211) 14.913 4.497 ( 2.261 -4.781 -0.264) 5.295 4.623 ( -3.045 1.660 -2.374) 4.203 4.910 ( -7.356 -2.462 5.271) 9.379 5.788 ( 20.708 -7.020 -2.247) 21.981 6.327 ( -3.514 -1.990 2.222) 4.609 6.447 ( 3.136 2.120 -2.894) 4.765 6.765 ( -13.219 -2.260 1.346) 13.479 6.902 ( -4.967 0.433 -0.161) 4.989 8.033 ( 8.762 1.940 -0.382) 8.983 8.462 ( -1.054 18.914 2.454) 19.102 9.336 ( -8.852 -20.100 -0.744) 21.976 10.586 ( 5.025 5.367 -0.091) 7.353 13.855 ( -4.051 -3.610 -0.683) 5.469 15.122 ( 6.247 10.395 -0.044) 12.128 15.549 ( 3.095 2.317 -0.545) 3.904 15.627 ( 3.926 -3.552 -1.282) 5.447 16.144 ( 2.346 2.658 2.042) 4.091 16.539 ( 1.619 -4.113 3.321) 5.529 16.915 ( -2.761 -3.540 1.317) 4.678 18.743 ( -4.809 6.946 1.270) 8.544 18.966 ( -0.403 -1.126 -1.174) 1.676 19.067 ( -0.504 -0.251 -0.197) 0.596 19.116 ( -0.043 -1.893 0.751) 2.037 19.190 ( -3.992 -1.744 -4.739) 6.437 ======================= Grid point 217 (123/226) ======================= q-point: ( 0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.280 ( 2.359 -0.967 0.628) 2.626 2.799 ( 11.659 -1.787 6.017) 13.241 3.051 ( 2.400 15.201 -2.238) 15.551 3.474 ( 1.218 9.428 -2.765) 9.900 3.653 ( -4.991 -1.537 -1.916) 5.562 3.757 ( 2.435 -10.338 1.792) 10.772 4.493 ( -0.972 0.961 1.062) 1.731 4.552 ( -3.747 -1.140 -1.961) 4.380 4.731 ( -8.007 -3.383 -0.005) 8.692 6.010 ( 10.514 3.304 -3.055) 11.436 6.249 ( -4.554 -1.804 3.410) 5.968 6.453 ( -2.476 -3.701 -2.691) 5.203 6.633 ( 0.525 -2.039 3.151) 3.789 6.857 ( -0.883 -1.074 -0.839) 1.624 8.176 ( 3.822 3.368 0.062) 5.094 8.677 ( 7.353 13.547 1.892) 15.530 8.983 ( -10.915 -15.874 -1.518) 19.324 10.681 ( 1.560 2.689 0.061) 3.109 13.781 ( -1.464 -1.046 -0.204) 1.811 15.280 ( 2.134 5.347 -0.494) 5.779 15.596 ( -0.468 3.108 1.226) 3.374 15.659 ( 2.138 1.511 -1.963) 3.272 16.163 ( -3.515 1.627 1.005) 4.002 16.570 ( 5.430 -5.147 2.356) 7.844 16.864 ( 2.291 -6.751 0.133) 7.130 18.733 ( -6.217 8.947 -0.399) 10.902 18.914 ( -0.641 -5.307 -1.343) 5.512 19.050 ( -0.521 -0.468 -0.576) 0.907 19.091 ( -0.278 -1.572 0.771) 1.773 19.155 ( 0.060 2.370 -0.823) 2.510 ======================= Grid point 218 (124/226) ======================= q-point: (-0.55 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 6.234 2.178 1.606) 6.796 2.736 ( -6.701 -15.757 -5.670) 18.037 3.153 ( 4.147 9.848 2.247) 10.920 3.416 ( -22.790 -4.149 1.031) 23.188 3.522 ( -10.397 -2.814 -1.425) 10.865 3.899 ( 18.440 10.272 1.261) 21.146 4.456 ( -6.272 2.435 2.883) 7.320 4.518 ( 2.410 -1.355 -0.706) 2.853 4.700 ( 6.941 -0.897 -1.916) 7.256 6.147 ( -6.879 -5.440 6.492) 10.911 6.210 ( 5.797 4.115 -3.056) 7.738 6.339 ( 1.743 -3.312 -2.668) 4.596 6.683 ( 2.210 1.173 -0.863) 2.647 6.835 ( 0.285 -0.592 0.071) 0.661 8.196 ( -3.888 0.760 0.103) 3.963 8.664 ( -14.547 -1.288 -1.739) 14.707 9.003 ( 19.750 1.787 1.655) 19.900 10.687 ( -2.722 0.260 0.010) 2.735 13.790 ( 2.438 1.114 0.363) 2.705 15.253 ( -7.580 -0.363 -0.008) 7.589 15.655 ( 2.052 3.636 0.747) 4.242 15.668 ( -0.969 -0.968 0.228) 1.389 16.087 ( -5.801 0.407 -0.902) 5.885 16.631 ( 5.672 -3.015 -0.585) 6.450 16.861 ( 5.078 -5.794 -1.376) 7.827 18.690 ( -6.300 4.594 0.394) 7.807 18.884 ( 1.630 -1.508 -0.051) 2.221 19.039 ( -0.131 -0.555 -0.008) 0.570 19.088 ( -0.290 1.443 -0.441) 1.537 19.199 ( 1.972 2.007 1.819) 3.350 ======================= Grid point 219 (125/226) ======================= q-point: (-0.45 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.340 ( -13.165 -14.100 -2.832) 19.497 2.569 ( 7.217 -1.759 0.726) 7.464 2.878 ( -24.979 -2.828 -5.826) 25.805 3.300 ( 1.083 -13.219 3.107) 13.623 3.402 ( -3.455 17.709 -1.479) 18.103 4.174 ( 1.534 4.617 3.635) 6.073 4.443 ( -0.107 1.253 1.412) 1.890 4.607 ( 9.181 5.585 1.492) 10.849 4.835 ( 9.310 -1.344 -2.054) 9.629 5.859 ( -7.967 -27.423 1.454) 28.594 6.250 ( 1.792 -0.231 -0.547) 1.888 6.488 ( 0.347 9.305 1.141) 9.381 6.706 ( 3.323 2.667 -1.089) 4.398 6.908 ( 4.587 9.042 -0.873) 10.176 8.083 ( -5.420 -5.280 -1.426) 7.700 8.452 ( -14.826 8.926 -0.644) 17.317 9.368 ( 22.670 -2.732 1.139) 22.862 10.594 ( -7.478 -1.664 -0.040) 7.661 13.881 ( 5.918 2.034 0.614) 6.288 15.063 ( -13.224 -0.954 0.534) 13.269 15.566 ( -3.620 -8.939 0.843) 9.681 15.750 ( 4.532 -0.054 1.246) 4.700 15.982 ( -6.086 -0.816 -1.337) 6.285 16.690 ( 4.821 0.226 -5.421) 7.258 16.912 ( 4.937 0.128 -1.315) 5.111 18.646 ( -2.843 1.023 3.963) 4.984 18.913 ( 1.325 1.201 0.208) 1.800 19.034 ( 0.018 -0.373 0.239) 0.443 19.101 ( -0.029 2.507 -1.310) 2.828 19.265 ( 1.693 1.906 3.249) 4.129 ======================= Grid point 220 (126/226) ======================= q-point: (-0.36 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -16.920 -11.837 -4.478) 21.129 2.404 ( -9.278 -17.114 -0.364) 19.470 2.809 ( 8.022 7.389 -6.310) 12.600 3.165 ( -4.933 -3.567 0.698) 6.127 3.570 ( 2.832 13.220 0.743) 13.541 4.186 ( -4.570 2.365 7.401) 9.014 4.448 ( -0.183 0.351 1.799) 1.842 4.872 ( 8.817 2.901 0.238) 9.285 4.918 ( 4.172 0.564 -3.206) 5.292 5.427 ( -4.632 -34.369 -1.525) 34.714 6.282 ( 2.078 -0.776 0.626) 2.305 6.442 ( -3.870 -4.943 0.404) 6.291 6.830 ( 0.677 8.277 1.790) 8.495 7.179 ( 8.856 22.085 -1.044) 23.817 7.942 ( -3.436 -5.053 -2.003) 6.430 8.318 ( -11.608 9.969 -0.296) 15.304 9.693 ( 19.632 -5.963 0.160) 20.518 10.409 ( -11.307 -3.184 0.410) 11.754 14.009 ( 5.689 1.781 0.216) 5.965 14.841 ( -10.831 -1.476 1.322) 11.010 15.417 ( -1.406 -12.591 1.127) 12.719 15.775 ( -0.633 -7.212 -2.049) 7.524 15.879 ( -1.639 -1.772 2.884) 3.761 16.750 ( 3.653 4.810 -9.091) 10.914 17.004 ( 3.053 5.411 -0.979) 6.289 18.661 ( 0.652 0.282 7.027) 7.062 18.942 ( 0.486 1.100 0.648) 1.366 19.037 ( 0.418 -0.005 0.269) 0.496 19.116 ( -0.289 2.519 -1.884) 3.159 19.309 ( -0.816 1.287 4.027) 4.306 ======================= Grid point 221 (127/226) ======================= q-point: (-0.27 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 5.586 -8.838 -7.267) 12.733 2.103 ( -2.269 -21.491 -6.608) 22.598 2.972 ( 3.991 7.753 -4.962) 10.033 3.099 ( -3.266 3.059 5.361) 6.983 3.753 ( 4.940 9.918 1.445) 11.174 4.163 ( -4.620 -0.365 9.938) 10.965 4.470 ( 1.763 -4.044 -1.514) 4.664 4.621 ( -17.357 -16.895 2.945) 24.400 5.079 ( 8.369 -0.106 -10.478) 13.410 5.222 ( 7.130 -12.168 1.058) 14.143 6.290 ( 0.390 -3.404 -0.023) 3.427 6.349 ( -0.298 -5.321 1.092) 5.440 6.900 ( -1.270 6.661 1.590) 6.965 7.516 ( 0.180 26.676 0.213) 26.677 7.864 ( -0.541 -2.794 -1.137) 3.064 8.290 ( 0.697 7.376 -0.475) 7.424 9.820 ( -1.000 -8.631 -1.413) 8.803 10.239 ( -0.328 -4.325 2.033) 4.790 14.058 ( -2.447 1.037 -0.061) 2.658 14.748 ( 2.642 -3.017 1.627) 4.328 15.304 ( 2.128 -13.099 0.824) 13.296 15.606 ( -6.145 -9.231 -0.491) 11.100 15.900 ( 3.717 -4.199 2.592) 6.178 16.806 ( 1.304 7.433 -9.944) 12.483 17.096 ( 0.445 7.970 -0.974) 8.042 18.741 ( 3.300 1.451 8.157) 8.918 18.958 ( -0.089 0.743 1.039) 1.281 19.052 ( 1.141 0.080 0.420) 1.218 19.119 ( -0.798 1.884 -1.832) 2.746 19.291 ( -4.716 0.046 4.334) 6.405 ======================= Grid point 222 (128/226) ======================= q-point: (-0.18 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( 11.034 -18.383 -9.623) 23.501 1.936 ( 18.480 -13.581 -10.648) 25.285 2.984 ( -7.476 8.916 -2.006) 11.808 3.206 ( 4.670 4.594 6.073) 8.933 3.843 ( -0.058 -26.595 3.792) 26.864 4.065 ( -5.453 0.863 7.581) 9.378 4.195 ( -9.416 6.438 1.221) 11.472 4.565 ( 3.107 -0.933 2.224) 3.933 5.112 ( 6.453 -3.700 -12.447) 14.500 5.246 ( 1.742 -4.322 -0.251) 4.667 6.257 ( 2.138 -5.577 0.409) 5.987 6.327 ( 1.314 -3.339 -0.201) 3.593 6.948 ( -1.383 6.265 2.052) 6.736 7.645 ( -12.342 23.820 -0.636) 26.835 7.844 ( 0.577 -1.796 -0.002) 1.886 8.532 ( 16.643 10.128 0.498) 19.489 9.501 ( -20.194 -10.456 -0.537) 22.746 10.313 ( 9.303 -6.283 1.964) 11.396 13.984 ( -5.845 1.224 0.969) 6.050 14.854 ( 12.171 -5.237 0.107) 13.250 15.207 ( 1.167 -16.248 -0.564) 16.300 15.459 ( -1.397 -5.012 2.231) 5.661 15.928 ( 3.470 -5.114 1.788) 6.434 16.832 ( -1.781 7.947 -8.648) 11.880 17.156 ( -2.356 8.568 -1.045) 8.948 18.860 ( 2.921 2.724 6.472) 7.605 18.965 ( -0.554 0.629 1.191) 1.456 19.071 ( 0.491 -0.617 -0.712) 1.063 19.123 ( 0.779 1.676 -0.345) 1.880 19.209 ( -6.141 -0.513 5.584) 8.316 ======================= Grid point 223 (129/226) ======================= q-point: (-0.09 -0.27 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 8.017 -20.935 -9.284) 24.264 2.140 ( 18.835 -23.602 -8.829) 31.460 2.917 ( -8.833 9.000 0.503) 12.620 3.298 ( -0.375 3.271 -4.387) 5.485 3.573 ( 7.625 -20.617 8.465) 23.556 4.104 ( -6.307 3.130 11.813) 13.752 4.268 ( 4.193 12.924 2.176) 13.761 4.590 ( 2.579 -5.008 -0.778) 5.687 5.119 ( 1.981 0.088 -10.647) 10.830 5.182 ( 1.022 -8.773 -2.771) 9.257 6.264 ( 3.910 -5.211 1.132) 6.612 6.324 ( 2.945 -2.621 -2.324) 4.577 6.988 ( -1.959 5.194 1.678) 5.800 7.639 ( -13.444 23.386 -1.079) 26.997 7.833 ( -0.247 -2.039 1.049) 2.306 8.852 ( -5.708 0.356 0.815) 5.777 9.143 ( 3.388 0.779 0.904) 3.592 10.375 ( 4.854 -8.583 1.781) 10.021 13.944 ( -1.738 3.301 1.799) 4.141 14.996 ( 3.062 -7.625 0.021) 8.217 15.036 ( 8.756 -17.062 -1.889) 19.271 15.481 ( 4.589 -1.977 2.926) 5.791 15.929 ( 1.816 -5.401 1.043) 5.793 16.814 ( -5.023 8.000 -6.812) 11.646 17.171 ( -4.810 8.035 -1.021) 9.420 18.895 ( -4.928 -0.163 5.715) 7.548 18.976 ( 1.394 1.124 -0.566) 1.878 19.047 ( -0.506 -0.605 -1.797) 1.963 19.111 ( -1.902 -0.524 1.306) 2.366 19.251 ( 3.652 4.161 5.858) 8.060 ======================= Grid point 226 (130/226) ======================= q-point: ( 0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 24.581 -0.552 4.660) 25.024 1.782 ( 21.036 7.110 9.762) 24.256 2.948 ( -13.222 1.006 2.385) 13.473 3.298 ( -0.821 1.100 -5.632) 5.797 3.922 ( 23.000 -9.769 -6.582) 25.841 4.104 ( -4.154 -2.531 0.324) 4.875 4.289 ( -3.967 -2.949 -9.371) 10.595 4.598 ( 1.378 -1.077 -2.076) 2.715 4.925 ( 1.956 4.663 12.543) 13.524 5.225 ( 6.445 -2.960 2.466) 7.508 6.272 ( 6.051 -0.829 -1.316) 6.248 6.324 ( 3.596 -1.952 -0.137) 4.094 6.983 ( -4.728 1.997 -2.625) 5.765 7.635 ( -27.605 0.565 0.570) 27.617 7.839 ( 1.785 0.582 0.733) 2.015 8.531 ( -1.056 20.585 0.704) 20.624 9.494 ( -0.710 -21.692 0.315) 21.706 10.337 ( 9.031 4.949 -1.081) 10.355 13.999 ( -3.834 -3.597 -1.005) 5.353 14.846 ( 10.911 7.122 1.176) 13.083 15.201 ( 14.792 -8.332 0.318) 16.980 15.488 ( 3.033 -2.215 -1.446) 4.025 15.941 ( 6.161 0.275 0.141) 6.168 16.737 ( -10.379 2.809 3.470) 11.298 17.146 ( -8.385 2.006 0.457) 8.634 18.862 ( -2.783 3.378 4.087) 5.988 18.985 ( -1.009 -0.400 -0.552) 1.218 19.061 ( 0.568 -1.103 0.304) 1.277 19.128 ( 0.437 1.433 -0.519) 1.586 19.316 ( -2.857 -2.729 -7.436) 8.420 ======================= Grid point 227 (131/226) ======================= q-point: ( 0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 19.401 -6.809 3.787) 20.907 2.383 ( 21.275 24.050 8.955) 33.335 2.775 ( -5.896 -0.797 3.381) 6.843 3.334 ( 8.204 -3.037 -2.186) 9.017 3.819 ( -10.361 -17.604 -8.382) 22.079 3.989 ( -10.627 9.702 -2.215) 14.559 4.273 ( 10.560 -5.128 -8.815) 14.680 4.684 ( 3.314 3.057 -2.077) 4.964 5.023 ( -3.343 -0.033 11.410) 11.890 5.395 ( 17.706 -2.060 3.052) 18.085 6.343 ( 0.445 -1.544 0.731) 1.765 6.376 ( 6.037 1.903 -0.535) 6.352 6.902 ( -5.268 1.299 -3.917) 6.692 7.188 ( -25.264 -1.021 2.554) 25.413 7.906 ( 6.046 -0.079 -0.474) 6.065 8.699 ( -3.022 18.309 0.644) 18.568 9.241 ( -3.760 -19.595 -0.666) 19.963 10.516 ( 7.762 2.780 -0.674) 8.273 13.894 ( -4.249 -2.031 -1.269) 4.877 15.091 ( 8.061 7.280 0.523) 10.874 15.373 ( 14.277 -6.898 0.626) 15.868 15.535 ( 3.986 1.932 -2.336) 5.008 16.056 ( 7.299 -0.836 -0.539) 7.366 16.619 ( -8.138 0.178 7.154) 10.837 17.011 ( -8.811 -0.251 0.484) 8.827 18.867 ( -2.598 3.329 2.324) 4.820 18.958 ( -1.010 -1.188 -1.376) 2.080 19.059 ( 0.408 -1.342 0.838) 1.633 19.116 ( -1.652 -1.820 -0.896) 2.616 19.217 ( -2.627 1.645 -6.950) 7.610 ======================= Grid point 228 (132/226) ======================= q-point: ( 0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 8.670 -2.063 -0.454) 8.923 2.701 ( 3.039 -0.512 8.461) 9.005 3.070 ( 21.565 18.064 3.083) 28.300 3.385 ( -10.484 -22.800 -7.105) 26.081 3.464 ( 11.759 -6.898 2.405) 13.843 3.904 ( -11.390 13.552 -4.319) 18.222 4.370 ( 8.189 -0.288 -5.091) 9.647 4.694 ( -4.016 2.384 -0.005) 4.670 4.904 ( -11.894 -3.246 3.889) 12.928 5.752 ( 19.900 3.518 1.492) 20.264 6.324 ( -1.946 -0.083 1.444) 2.424 6.482 ( 1.599 2.787 -0.223) 3.220 6.718 ( -14.470 -2.097 -1.875) 14.740 6.904 ( -6.521 -1.263 2.127) 6.975 8.039 ( 10.384 -0.746 -0.504) 10.423 8.726 ( -2.940 -5.686 0.525) 6.423 9.058 ( -6.790 4.854 -1.203) 8.433 10.636 ( 5.206 -0.106 -0.252) 5.213 13.817 ( -3.202 0.622 -0.877) 3.378 15.239 ( 5.655 -0.663 0.212) 5.698 15.532 ( 8.504 -1.036 -0.418) 8.577 15.627 ( 3.859 4.101 -1.723) 5.888 16.140 ( 4.657 -2.801 -1.348) 5.599 16.552 ( -3.548 -1.011 7.910) 8.728 16.865 ( -6.731 -1.625 -0.434) 6.938 18.852 ( -0.072 -3.510 -2.555) 4.342 18.908 ( -4.934 3.190 1.551) 6.077 19.051 ( -0.657 -0.932 -0.396) 1.208 19.078 ( 0.419 -0.884 0.859) 1.302 19.191 ( -1.495 4.395 -3.822) 6.013 ======================= Grid point 229 (133/226) ======================= q-point: ( 0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 5.967 2.672 -1.639) 6.740 2.701 ( -5.713 -11.925 1.013) 13.262 3.043 ( 3.795 -20.164 -0.779) 20.533 3.549 ( 10.789 2.887 1.052) 11.218 3.572 ( 4.750 2.493 2.729) 6.019 3.831 ( -5.422 10.650 -3.016) 12.326 4.474 ( 3.220 3.138 -2.095) 4.960 4.620 ( -6.892 1.296 3.961) 8.054 4.699 ( -7.615 0.536 -1.034) 7.704 6.073 ( 9.274 1.391 -1.030) 9.435 6.289 ( -12.678 -6.712 -2.091) 14.497 6.335 ( 0.515 7.693 4.131) 8.747 6.645 ( 2.118 0.424 -2.746) 3.494 6.854 ( -1.144 0.958 1.862) 2.387 8.180 ( 4.851 -2.973 -0.135) 5.691 8.605 ( 6.242 -15.061 0.432) 16.309 9.047 ( -8.762 16.780 -0.703) 18.943 10.682 ( 1.848 -2.530 -0.078) 3.134 13.796 ( -0.803 2.753 -0.282) 2.881 15.274 ( 2.032 -5.820 0.535) 6.188 15.626 ( 3.411 0.416 -1.506) 3.752 15.680 ( -0.809 0.229 0.372) 0.919 16.132 ( -1.092 -3.675 -0.383) 3.853 16.556 ( 1.270 -0.437 2.601) 2.927 16.785 ( -0.477 0.561 -1.531) 1.699 18.768 ( -2.037 -6.167 0.504) 6.514 18.904 ( -2.511 5.932 0.864) 6.500 19.034 ( -0.138 -0.731 -0.045) 0.745 19.096 ( 0.790 0.804 0.431) 1.207 19.210 ( 0.317 4.466 -1.477) 4.715 ======================= Grid point 230 (134/226) ======================= q-point: (-0.45 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( -12.157 -17.763 -4.821) 22.058 2.428 ( 8.168 1.920 0.239) 8.394 2.982 ( 8.426 -25.746 0.754) 27.100 3.342 ( -22.517 -1.393 1.794) 22.631 3.672 ( -5.720 19.165 -2.480) 20.153 4.073 ( 16.013 5.532 -2.360) 17.106 4.480 ( -2.730 -0.032 2.786) 3.901 4.613 ( -0.569 4.944 4.972) 7.035 4.687 ( 4.662 0.371 -1.223) 4.834 5.792 ( -14.233 -23.907 -1.127) 27.846 6.236 ( 0.251 1.437 0.145) 1.466 6.561 ( 0.054 4.706 0.154) 4.708 6.678 ( 8.090 12.671 -1.713) 15.131 6.908 ( 3.173 5.560 0.452) 6.418 8.094 ( -4.472 -8.406 -1.239) 9.602 8.683 ( 4.807 0.839 0.993) 4.980 9.086 ( 2.165 6.548 0.111) 6.898 10.646 ( -2.182 -4.302 -0.053) 4.824 13.840 ( 2.280 3.609 0.098) 4.270 15.203 ( -4.177 -5.594 1.111) 7.069 15.551 ( -6.861 -8.960 -0.300) 11.290 15.677 ( 2.563 -3.208 0.444) 4.130 16.051 ( -4.240 -3.461 1.252) 5.614 16.601 ( 3.908 2.646 -5.390) 7.165 16.852 ( 4.611 5.504 -0.832) 7.228 18.697 ( -1.901 -4.246 5.487) 7.193 18.930 ( -0.602 3.925 -0.021) 3.971 19.029 ( 0.145 -0.475 0.229) 0.547 19.119 ( 0.325 2.004 -0.526) 2.097 19.269 ( 1.859 3.942 0.456) 4.382 ======================= Grid point 231 (135/226) ======================= q-point: (-0.36 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -11.740 -19.549 -5.371) 23.428 2.447 ( -7.058 -22.127 5.738) 23.924 2.809 ( -2.199 6.602 -7.801) 10.454 3.118 ( -1.625 -3.645 2.697) 4.817 3.753 ( -5.623 19.343 -4.663) 20.676 4.276 ( 3.075 1.640 2.662) 4.385 4.459 ( -0.935 -2.376 5.201) 5.794 4.716 ( 8.003 1.225 -3.745) 8.921 4.806 ( 7.950 0.374 1.483) 8.096 5.287 ( -14.187 -27.109 0.065) 30.597 6.257 ( 0.765 0.001 1.394) 1.590 6.460 ( -4.736 -5.863 -1.533) 7.692 6.919 ( 0.549 9.427 1.506) 9.563 7.176 ( 14.235 21.220 -1.665) 25.607 7.940 ( -3.611 -6.377 -1.342) 7.450 8.667 ( -13.530 12.040 -0.146) 18.112 9.281 ( 19.181 -6.870 0.775) 20.389 10.525 ( -6.671 -5.360 0.171) 8.559 13.935 ( 4.875 3.035 -0.081) 5.743 15.037 ( -11.691 -2.821 1.250) 12.091 15.314 ( -4.295 -16.966 1.207) 17.543 15.672 ( 2.289 -7.084 -0.690) 7.476 15.942 ( -5.387 -3.559 2.759) 7.021 16.691 ( 4.963 7.087 -8.555) 12.167 16.999 ( 4.752 8.119 -0.748) 9.437 18.683 ( 0.022 -2.578 8.918) 9.284 18.953 ( -0.031 2.010 -0.021) 2.010 19.032 ( 0.300 -0.041 0.217) 0.372 19.137 ( -0.180 2.036 -1.194) 2.367 19.339 ( 1.322 3.140 1.614) 3.770 ======================= Grid point 232 (136/226) ======================= q-point: (-0.27 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -8.848 -18.357 -6.464) 21.379 1.991 ( -13.560 -24.620 -0.996) 28.125 2.955 ( 5.754 12.732 -4.295) 14.617 3.151 ( 3.937 0.160 4.539) 6.011 3.766 ( -4.277 0.752 -4.033) 5.926 4.290 ( -4.247 -1.177 9.677) 10.634 4.420 ( -1.836 -3.425 -2.471) 4.605 4.694 ( -4.765 -12.838 -6.538) 15.174 4.880 ( 3.758 -1.347 -1.155) 4.156 5.060 ( 6.774 -2.601 4.081) 8.324 6.264 ( 0.029 -2.107 0.780) 2.247 6.319 ( -3.297 -6.808 -0.195) 7.567 6.989 ( -0.831 6.488 0.232) 6.545 7.636 ( 13.395 24.075 0.095) 27.551 7.851 ( -1.238 -2.545 -0.738) 2.925 8.517 ( -15.990 10.991 -0.823) 19.421 9.532 ( 18.732 -10.405 -0.052) 21.428 10.328 ( -10.114 -5.813 1.147) 11.722 14.042 ( 4.527 1.757 -0.747) 4.913 14.793 ( -11.328 -5.510 1.484) 12.684 15.135 ( 1.319 -16.494 1.610) 16.625 15.593 ( -2.255 -8.755 -0.255) 9.045 15.861 ( -1.702 -2.812 2.804) 4.321 16.802 ( 3.437 8.758 -7.312) 11.915 17.144 ( 2.902 8.807 -0.882) 9.314 18.737 ( 2.698 -0.545 9.859) 10.236 18.968 ( 0.137 0.854 0.398) 0.953 19.041 ( 0.532 0.320 -0.034) 0.622 19.137 ( -0.700 0.959 -1.537) 1.942 19.374 ( -1.709 2.034 2.334) 3.536 ======================= Grid point 233 (137/226) ======================= q-point: (-0.18 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 8.210 -16.644 -10.099) 21.129 1.589 ( -2.574 -23.726 -7.155) 24.915 3.129 ( 1.465 9.775 -1.480) 9.994 3.257 ( 3.820 0.605 6.112) 7.233 3.502 ( -5.163 -32.421 -0.080) 32.829 4.240 ( -5.591 7.266 4.721) 10.312 4.351 ( -3.166 4.505 -5.487) 7.773 4.599 ( -1.970 1.590 6.196) 6.694 4.917 ( 5.096 -3.733 -5.737) 8.533 5.162 ( 4.772 -2.631 -1.493) 5.649 6.196 ( -1.292 -5.487 0.231) 5.642 6.261 ( 1.256 -5.022 0.032) 5.177 7.035 ( -0.920 5.889 0.689) 6.000 7.832 ( 0.133 0.152 -0.065) 0.213 8.030 ( -0.215 25.365 0.713) 25.376 8.420 ( 0.713 6.714 -0.767) 6.795 9.603 ( -1.207 -12.030 -1.187) 12.149 10.162 ( -0.378 -5.953 3.050) 6.700 14.076 ( -2.325 1.000 -0.294) 2.548 14.641 ( 2.574 -9.495 0.573) 9.854 15.030 ( 2.157 -14.369 0.385) 14.535 15.463 ( -3.552 -5.991 2.118) 7.280 15.849 ( 1.749 -2.988 1.500) 3.773 16.893 ( 0.458 8.549 -3.592) 9.284 17.250 ( 0.277 8.289 -0.923) 8.345 18.849 ( 4.242 1.897 6.592) 8.065 18.983 ( 0.395 0.533 1.793) 1.912 19.053 ( 0.665 0.153 -0.478) 0.833 19.121 ( -0.366 -0.165 -1.660) 1.708 19.339 ( -5.581 0.631 3.953) 6.868 ======================= Grid point 234 (138/226) ======================= q-point: (-0.09 -0.18 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 6.291 -23.178 -11.186) 26.493 1.520 ( 21.680 -18.980 -12.305) 31.332 2.986 ( 6.841 -46.155 4.796) 46.905 3.218 ( -6.632 10.797 -2.397) 12.896 3.437 ( -0.163 9.456 7.579) 12.120 4.307 ( -2.632 5.610 6.759) 9.169 4.340 ( 0.157 9.089 -2.877) 9.535 4.593 ( -5.264 2.263 1.925) 6.044 4.951 ( 7.063 -3.509 -4.678) 9.170 5.137 ( -0.702 -5.077 -5.589) 7.583 6.158 ( 2.438 -5.185 1.030) 5.822 6.238 ( 2.233 -4.758 -1.732) 5.533 7.074 ( -1.467 5.012 1.060) 5.328 7.839 ( -0.456 0.847 0.291) 1.005 8.070 ( -13.606 20.139 -0.420) 24.308 8.750 ( 19.988 11.583 1.060) 23.126 9.268 ( -18.893 -12.785 -0.050) 22.812 10.203 ( 7.136 -7.523 2.997) 10.794 14.022 ( -3.724 1.573 1.354) 4.263 14.673 ( 11.964 -12.900 -1.734) 17.680 14.907 ( -0.759 -11.872 -0.488) 11.907 15.419 ( 1.777 -2.629 2.834) 4.255 15.859 ( 1.857 -2.997 0.395) 3.548 16.945 ( -3.022 8.442 -0.300) 8.972 17.302 ( -2.501 7.192 -0.911) 7.669 18.943 ( 2.238 2.478 -0.491) 3.375 18.999 ( -2.406 1.156 1.934) 3.296 19.043 ( -0.625 -0.915 -1.123) 1.578 19.118 ( 0.676 -1.447 -0.508) 1.676 19.293 ( -1.674 1.429 8.216) 8.505 ======================= Grid point 270 (139/226) ======================= q-point: ( 0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -0.000 0.000 21.499) 21.499 0.677 ( -0.000 0.000 21.499) 21.499 1.290 ( -0.000 0.000 40.232) 40.232 3.793 ( 0.000 -0.000 -10.241) 10.241 3.793 ( 0.000 -0.000 -10.241) 10.241 4.046 ( 0.000 -0.000 -4.033) 4.033 4.831 ( -0.000 0.000 5.196) 5.196 4.831 ( -0.000 0.000 5.196) 5.196 4.878 ( 0.000 -0.000 -2.514) 2.514 5.684 ( -0.000 0.000 1.239) 1.239 6.029 ( -0.000 0.000 0.569) 0.569 6.029 ( -0.000 0.000 0.569) 0.569 7.232 ( -0.000 0.000 0.679) 0.679 7.903 ( 0.000 -0.000 -5.132) 5.132 8.740 ( 0.000 -0.000 -0.626) 0.626 8.740 ( 0.000 -0.000 -0.626) 0.626 8.969 ( -0.000 0.000 0.299) 0.299 8.969 ( -0.000 0.000 0.299) 0.299 14.117 ( -0.000 0.000 0.620) 0.620 14.117 ( -0.000 0.000 0.620) 0.620 14.608 ( 0.000 -0.000 -1.491) 1.491 14.608 ( 0.000 -0.000 -1.491) 1.491 15.809 ( 0.000 -0.000 -0.258) 0.258 15.809 ( 0.000 -0.000 -0.258) 0.258 17.492 ( 0.000 -0.000 -0.353) 0.353 18.853 ( -0.000 0.000 0.281) 0.281 19.022 ( -0.000 0.000 0.374) 0.374 19.022 ( -0.000 0.000 0.374) 0.374 19.110 ( -0.000 0.000 0.676) 0.676 19.673 ( 0.000 -0.000 -0.444) 0.444 ======================= Grid point 271 (140/226) ======================= q-point: ( 0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 22.509 -16.035 16.171) 32.020 1.272 ( 11.738 12.189 24.783) 30.009 1.698 ( 25.080 23.147 22.301) 40.769 3.496 ( -11.032 -7.517 -7.733) 15.428 3.789 ( -6.159 5.541 -7.950) 11.482 4.138 ( 7.339 -1.093 -8.020) 10.926 4.691 ( -5.555 -4.506 0.029) 7.152 4.857 ( -6.759 7.509 0.427) 10.112 4.980 ( 8.349 -6.008 3.593) 10.896 5.167 ( -23.780 -14.008 15.734) 31.769 6.045 ( 0.847 2.821 0.681) 3.024 6.163 ( 7.342 -0.191 2.223) 7.674 7.205 ( -2.115 -0.845 0.477) 2.327 7.828 ( -2.597 -1.789 -4.340) 5.365 8.635 ( -4.571 -6.689 -0.680) 8.130 8.819 ( -10.902 -1.339 -1.702) 11.115 9.093 ( 7.694 8.773 -0.078) 11.670 9.376 ( 30.585 14.972 -13.204) 36.523 14.092 ( -2.875 2.159 0.157) 3.599 14.226 ( 10.060 0.594 0.875) 10.115 14.632 ( 3.807 1.199 -1.643) 4.317 14.981 ( 19.147 11.872 -11.987) 25.519 15.816 ( 0.997 -1.282 -0.362) 1.664 16.128 ( 26.824 17.648 -12.087) 34.309 17.469 ( -1.854 -1.073 -0.317) 2.165 18.805 ( -4.487 -4.407 -0.659) 6.324 18.997 ( -1.540 -1.536 0.338) 2.201 19.033 ( 0.719 0.623 0.361) 1.018 19.109 ( -0.495 -0.210 0.561) 0.777 19.573 ( -7.415 -1.881 0.929) 7.706 ======================= Grid point 272 (141/226) ======================= q-point: ( 0.36 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 23.015 -8.793 9.113) 26.268 1.551 ( 5.418 0.802 25.071) 25.662 2.597 ( 35.648 27.785 3.263) 45.315 3.266 ( -6.739 -0.534 -1.176) 6.862 3.648 ( -9.436 0.975 -5.038) 10.740 4.146 ( -1.373 0.248 -4.292) 4.513 4.569 ( -4.919 -1.671 -3.755) 6.410 4.749 ( -11.525 0.406 0.852) 11.564 4.915 ( 0.405 -6.468 5.164) 8.286 5.094 ( 5.997 -5.657 7.127) 10.898 6.121 ( 3.541 3.987 0.858) 5.401 6.287 ( 5.669 0.449 2.541) 6.228 7.157 ( -3.163 -0.443 0.450) 3.225 7.749 ( -1.881 -1.790 -4.080) 4.836 8.482 ( -1.450 -17.346 -0.322) 17.409 8.521 ( -22.582 4.099 -0.957) 22.971 9.331 ( 10.149 8.175 0.235) 13.034 9.814 ( 16.037 9.506 -8.530) 20.501 14.066 ( -2.999 2.598 -0.087) 3.969 14.433 ( 11.808 0.818 -0.321) 11.841 14.761 ( 9.647 4.967 -0.662) 10.871 15.230 ( 8.846 5.657 -6.606) 12.406 15.814 ( 0.627 -1.063 -0.856) 1.502 16.680 ( 22.710 14.198 -9.889) 28.551 17.409 ( -3.348 -1.865 0.180) 3.837 18.598 ( -8.995 -9.311 -5.072) 13.904 18.974 ( -0.409 -0.160 -0.037) 0.441 19.058 ( 1.139 0.643 0.301) 1.342 19.096 ( -0.915 -0.267 0.123) 0.961 19.463 ( -5.292 1.205 -0.096) 5.428 ======================= Grid point 273 (142/226) ======================= q-point: ( 0.45 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 14.718 -5.096 3.730) 16.016 1.783 ( 8.752 2.363 16.793) 19.083 3.038 ( 2.297 -2.931 -0.745) 3.798 3.456 ( 3.296 -1.207 -2.029) 4.054 3.591 ( 15.400 25.352 -2.451) 29.764 4.068 ( -10.878 4.437 3.193) 12.174 4.423 ( -7.188 -2.809 -7.136) 10.511 4.611 ( -3.050 0.167 1.002) 3.215 4.924 ( 4.118 -7.154 2.025) 8.500 5.210 ( 10.766 -2.259 6.001) 12.531 6.234 ( 4.817 3.338 0.328) 5.869 6.381 ( 3.451 1.502 1.336) 3.994 7.092 ( -4.360 -0.480 -0.120) 4.388 7.705 ( -0.285 -0.233 -2.600) 2.626 8.064 ( -21.680 -13.593 0.107) 25.589 8.336 ( -7.436 -3.446 -0.667) 8.223 9.575 ( 9.425 7.144 0.635) 11.843 10.066 ( 9.511 6.017 -4.075) 11.970 14.043 ( -2.432 2.320 -0.159) 3.365 14.596 ( 7.902 0.307 -2.009) 8.159 15.043 ( 14.725 8.462 0.485) 16.991 15.377 ( 6.825 3.726 -2.748) 8.247 15.815 ( 1.052 -0.040 -1.460) 1.800 16.992 ( 5.266 2.200 2.985) 6.441 17.340 ( -3.584 -2.159 4.863) 6.415 18.353 ( -3.591 -4.914 -13.938) 15.209 18.970 ( -0.076 0.176 -0.233) 0.302 19.072 ( -0.095 -1.022 0.017) 1.027 19.087 ( 0.155 1.172 -0.415) 1.253 19.407 ( -3.230 1.875 -1.056) 3.881 ======================= Grid point 274 (143/226) ======================= q-point: ( 0.55 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( 6.316 -3.430 2.648) 7.659 2.069 ( 12.463 6.696 9.407) 16.990 2.937 ( -7.847 -7.521 2.367) 11.124 3.488 ( 6.280 -0.603 -2.948) 6.963 3.860 ( -11.049 4.704 4.422) 12.797 4.088 ( 7.528 9.854 -7.219) 14.349 4.225 ( -6.623 0.570 -6.849) 9.545 4.661 ( 4.814 1.994 1.169) 5.340 4.918 ( 1.737 -5.505 2.231) 6.189 5.529 ( 21.465 6.271 5.996) 23.152 6.331 ( 4.341 0.082 -0.971) 4.448 6.458 ( 2.032 4.324 0.659) 4.823 6.997 ( -4.921 -1.962 -2.093) 5.696 7.454 ( -25.839 -13.625 -1.388) 29.244 7.798 ( 2.453 1.292 1.536) 3.170 8.172 ( -6.810 -5.045 0.001) 8.475 9.776 ( 6.469 5.284 1.099) 8.425 10.222 ( 5.632 3.385 -1.934) 6.850 14.029 ( -1.525 1.826 -0.126) 2.382 14.698 ( 5.280 0.430 -2.055) 5.682 15.354 ( 10.191 8.644 -0.063) 13.363 15.521 ( 8.237 2.496 -0.083) 8.607 15.843 ( 2.786 1.337 -1.585) 3.473 16.948 ( -7.449 -5.434 3.423) 9.836 17.243 ( -9.226 -7.188 11.727) 16.563 18.319 ( 8.082 4.235 -14.287) 16.952 18.970 ( -0.008 0.198 -0.242) 0.313 19.059 ( -0.156 -0.416 -0.450) 0.632 19.098 ( 0.566 0.038 -0.769) 0.955 19.375 ( -2.095 1.814 -1.399) 3.104 ======================= Grid point 275 (144/226) ======================= q-point: ( 0.64 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 1.925 -0.375 4.471) 4.882 2.399 ( 11.571 10.055 4.212) 15.898 2.695 ( -10.722 -11.036 3.725) 15.831 3.456 ( -4.435 -3.065 -5.105) 7.425 3.780 ( -8.318 -4.069 -1.034) 9.317 4.035 ( 4.658 3.921 -2.631) 6.633 4.347 ( 5.989 7.467 -4.156) 10.435 4.746 ( 1.757 0.347 3.109) 3.588 4.920 ( 2.420 -1.996 0.617) 3.197 6.000 ( 15.420 8.970 2.813) 18.060 6.365 ( 2.156 -2.450 -1.750) 3.703 6.502 ( -4.965 2.665 -2.099) 6.013 6.848 ( -7.884 -7.210 -2.284) 10.925 6.939 ( -11.171 -5.598 0.251) 12.498 7.913 ( 4.862 3.241 2.333) 6.291 8.027 ( -4.179 -3.917 1.238) 5.860 9.893 ( 1.900 2.714 1.495) 3.635 10.303 ( 2.408 1.068 -1.098) 2.854 14.027 ( -0.612 1.482 0.004) 1.603 14.763 ( 3.189 0.085 -1.440) 3.500 15.511 ( 1.716 4.284 -0.051) 4.615 15.683 ( 5.412 3.130 0.305) 6.259 15.922 ( 5.486 0.736 -0.427) 5.552 16.746 ( -10.007 -6.515 3.089) 12.334 17.056 ( -7.788 -6.258 6.159) 11.736 18.492 ( 10.064 5.973 -5.071) 12.755 18.972 ( 0.068 0.298 -0.304) 0.432 19.057 ( 0.529 -0.015 -0.409) 0.669 19.097 ( 0.563 -1.099 -1.436) 1.894 19.359 ( -1.172 2.149 -1.616) 2.933 ======================= Grid point 276 (145/226) ======================= q-point: (-0.27 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -1.973 0.290 4.951) 5.337 2.352 ( -15.746 -9.009 4.323) 18.649 2.718 ( 7.426 8.312 4.652) 12.078 3.308 ( -2.547 -8.205 -9.888) 13.098 3.630 ( 1.876 -1.894 -0.811) 2.787 4.203 ( 5.340 7.183 -4.152) 9.866 4.475 ( 5.225 1.844 -1.374) 5.709 4.768 ( -2.431 2.815 5.502) 6.641 4.945 ( 1.014 -3.102 1.757) 3.706 5.767 ( -29.553 -15.266 -3.072) 33.405 6.366 ( -0.385 -2.142 -2.748) 3.505 6.439 ( -1.823 2.424 -0.310) 3.049 6.863 ( 1.747 -0.013 -3.370) 3.796 7.004 ( 20.126 10.133 2.204) 22.640 7.893 ( -3.591 -2.560 2.021) 4.851 8.108 ( 7.361 3.577 2.339) 8.512 9.902 ( -3.304 -0.259 1.660) 3.706 10.314 ( -0.535 -0.783 -0.931) 1.329 14.037 ( -0.024 1.502 0.176) 1.513 14.791 ( 1.250 -1.024 -0.873) 1.837 15.502 ( -4.598 -1.346 -0.567) 4.824 15.718 ( -4.398 1.439 0.446) 4.648 15.984 ( 1.922 -3.506 0.403) 4.018 16.594 ( -2.587 -1.816 3.775) 4.924 16.987 ( 1.339 -0.108 1.661) 2.136 18.677 ( 7.172 4.003 0.106) 8.215 18.975 ( 0.208 0.439 -0.618) 0.786 19.071 ( 0.965 0.085 0.092) 0.973 19.083 ( 0.614 -1.575 -1.950) 2.580 19.358 ( -0.700 2.626 -2.386) 3.616 ======================= Grid point 277 (146/226) ======================= q-point: (-0.18 0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -7.752 -7.758 4.356) 11.801 1.995 ( -20.964 -7.019 7.524) 23.353 2.913 ( 7.923 3.945 2.976) 9.337 3.202 ( 2.490 -0.527 -8.092) 8.483 3.770 ( 11.391 -1.647 -0.861) 11.541 4.286 ( 1.522 4.503 -4.822) 6.771 4.447 ( -13.709 -5.339 -0.651) 14.727 4.683 ( -15.949 5.357 -4.784) 17.491 4.901 ( 1.699 -6.947 12.560) 14.453 5.255 ( -7.162 -9.407 -2.543) 12.093 6.300 ( -3.586 -2.358 -1.255) 4.472 6.367 ( -4.897 -2.066 -1.215) 5.452 6.926 ( 4.657 3.080 -2.015) 5.936 7.516 ( 23.831 13.636 0.139) 27.457 7.843 ( -1.582 -0.947 1.718) 2.520 8.275 ( 7.222 3.002 1.546) 7.972 9.797 ( -7.924 -3.056 1.526) 8.629 10.264 ( -3.048 -1.928 -1.341) 3.848 14.055 ( 0.059 1.883 0.291) 1.906 14.765 ( -1.873 -3.304 -0.625) 3.849 15.319 ( -10.809 -8.025 -1.144) 13.511 15.600 ( -9.180 0.557 0.433) 9.207 15.928 ( -2.095 -4.714 -1.060) 5.266 16.685 ( 7.557 3.716 5.683) 10.159 17.088 ( 6.795 3.439 0.389) 7.626 18.802 ( 4.687 1.187 -0.361) 4.848 18.981 ( 0.501 0.366 -1.424) 1.553 19.060 ( 0.216 -1.773 -0.843) 1.975 19.101 ( 1.140 0.750 0.476) 1.445 19.354 ( -1.423 3.139 -3.849) 5.166 ======================= Grid point 282 (147/226) ======================= q-point: ( 0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -27.401 15.892 15.772) 35.385 1.357 ( 11.804 24.721 18.480) 33.045 1.779 ( 5.278 18.882 26.056) 32.608 3.498 ( -3.044 -10.643 -9.290) 14.451 3.651 ( 7.984 -7.636 -5.458) 12.323 4.171 ( -2.494 11.652 -10.346) 15.781 4.698 ( -4.134 -9.170 -1.200) 10.130 4.789 ( 8.273 -6.820 3.175) 11.182 5.049 ( -5.158 7.773 2.507) 9.659 5.237 ( 0.013 -26.232 13.891) 29.683 6.057 ( 2.897 2.085 0.762) 3.650 6.153 ( -4.684 5.506 1.253) 7.336 7.205 ( 0.365 -2.848 0.544) 2.923 7.811 ( -0.254 -2.181 -4.655) 5.147 8.653 ( -5.646 -6.090 -0.650) 8.330 8.777 ( 6.903 -10.800 -1.580) 12.914 9.119 ( 4.172 12.106 0.134) 12.805 9.311 ( -3.406 32.094 -10.722) 34.008 14.111 ( 4.876 -0.571 0.409) 4.926 14.212 ( -6.043 8.077 0.661) 10.109 14.644 ( -1.455 4.813 -1.599) 5.276 14.902 ( 1.437 20.901 -10.082) 23.250 15.790 ( -1.446 -0.730 -0.402) 1.669 16.109 ( 1.682 29.656 -8.291) 30.839 17.467 ( -0.001 -2.198 -0.338) 2.224 18.805 ( -1.260 -5.960 -0.545) 6.116 19.003 ( -0.502 -1.460 0.183) 1.555 19.038 ( 0.014 0.987 0.365) 1.052 19.114 ( 0.083 -0.194 0.549) 0.588 19.565 ( 1.818 -8.855 0.857) 9.081 ======================= Grid point 283 (148/226) ======================= q-point: ( 0.36 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 1.749 18.080 14.324) 23.133 1.651 ( 0.507 2.315 25.561) 25.670 2.414 ( 22.038 32.671 3.765) 39.589 3.312 ( -2.799 -4.294 -2.890) 5.884 3.664 ( 2.375 -7.204 -5.089) 9.134 4.170 ( -2.134 7.892 -7.145) 10.858 4.552 ( -1.747 -7.304 -5.452) 9.281 4.819 ( 2.325 -11.354 2.762) 11.915 4.984 ( -9.694 4.007 1.054) 10.542 5.053 ( -3.413 -9.769 14.005) 17.413 6.134 ( 1.501 4.550 0.870) 4.870 6.204 ( 4.734 2.471 1.733) 5.615 7.177 ( -0.657 -2.651 0.420) 2.763 7.749 ( -1.944 -1.055 -4.287) 4.824 8.391 ( -8.322 -14.682 -0.012) 16.876 8.904 ( -0.369 -0.535 -2.150) 2.246 9.086 ( 0.783 3.378 -0.071) 3.468 9.718 ( 13.519 23.117 -8.154) 27.993 14.112 ( -2.482 -1.150 -0.170) 2.741 14.344 ( 7.939 11.511 0.711) 14.001 14.681 ( 2.546 5.069 -1.627) 5.902 15.135 ( 8.099 12.432 -6.904) 16.365 15.780 ( 0.981 -1.105 -0.617) 1.602 16.510 ( 14.277 28.181 -9.385) 32.956 17.426 ( -1.548 -2.924 -0.127) 3.311 18.629 ( -8.015 -12.181 -1.695) 14.680 18.982 ( -0.635 -0.159 0.031) 0.655 19.051 ( 0.462 0.539 0.292) 0.768 19.110 ( -0.676 0.192 0.183) 0.726 19.500 ( -0.950 -4.958 -0.546) 5.077 ======================= Grid point 284 (149/226) ======================= q-point: ( 0.45 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 6.987 20.394 10.403) 23.936 1.801 ( 2.994 3.084 18.060) 18.565 2.885 ( 10.460 4.526 -4.964) 12.431 3.392 ( 4.559 1.086 1.383) 4.886 3.610 ( 4.185 10.585 -4.150) 12.115 4.217 ( 0.686 6.748 1.133) 6.876 4.416 ( -2.774 -7.776 -8.572) 11.901 4.697 ( -6.514 -4.967 -0.390) 8.201 4.869 ( -3.974 -1.852 1.994) 4.816 5.083 ( 5.357 -2.904 10.790) 12.392 6.213 ( 2.049 3.804 0.878) 4.409 6.321 ( 5.828 1.549 0.885) 6.095 7.129 ( -2.160 -2.986 -0.575) 3.730 7.708 ( -0.686 1.580 -2.710) 3.211 8.080 ( -9.293 -20.574 0.726) 22.588 8.694 ( -21.705 9.998 -2.049) 23.985 9.286 ( 19.235 -8.225 0.291) 20.922 10.054 ( 7.220 17.491 -4.398) 19.427 14.057 ( -1.078 -3.091 -0.695) 3.347 14.581 ( 2.708 14.541 -0.493) 14.800 14.859 ( 14.381 5.132 -0.010) 15.269 15.322 ( 5.191 8.957 -3.296) 10.864 15.790 ( 1.424 -0.006 -1.012) 1.747 16.920 ( 10.393 12.476 -0.392) 16.242 17.375 ( -1.334 -1.783 2.029) 3.012 18.339 ( -8.564 -10.007 -8.118) 15.472 18.976 ( -0.309 0.324 -0.134) 0.468 19.058 ( 0.268 -1.036 0.371) 1.133 19.104 ( -0.728 1.260 -0.667) 1.601 19.440 ( -1.423 -2.272 -1.655) 3.151 ======================= Grid point 285 (150/226) ======================= q-point: ( 0.55 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( -1.496 23.281 7.170) 24.406 2.011 ( 7.962 6.934 11.002) 15.249 2.968 ( -0.398 -5.396 2.937) 6.157 3.336 ( 4.521 -4.774 -3.446) 7.423 3.910 ( 8.338 10.265 -10.473) 16.869 4.178 ( -10.180 -4.529 -3.440) 11.661 4.325 ( -3.082 7.757 2.070) 8.599 4.578 ( 1.876 -3.559 -3.994) 5.669 4.844 ( 2.075 -4.805 3.993) 6.583 5.309 ( 15.111 6.360 9.479) 18.938 6.270 ( 2.306 0.016 0.022) 2.306 6.443 ( 5.048 4.241 0.258) 6.598 7.033 ( -4.172 -4.178 -2.733) 6.506 7.607 ( -13.303 -19.132 -0.263) 23.304 7.803 ( -0.537 1.434 0.682) 1.676 8.422 ( -19.609 8.082 -1.020) 21.234 9.515 ( 17.912 -10.175 0.608) 20.610 10.268 ( 2.188 14.282 -2.004) 14.587 14.012 ( 0.621 -4.529 -0.762) 4.634 14.720 ( -0.436 12.899 -1.199) 12.962 15.208 ( 17.120 7.793 0.705) 18.824 15.458 ( 3.566 6.434 -0.946) 7.417 15.823 ( 1.798 2.653 -1.373) 3.487 17.006 ( -3.620 -4.385 2.883) 6.375 17.353 ( -5.008 -7.169 12.590) 15.329 18.184 ( 3.748 4.385 -15.674) 16.702 18.975 ( -0.198 0.316 -0.197) 0.421 19.049 ( 0.082 -1.377 0.278) 1.407 19.098 ( -0.668 0.707 -1.344) 1.659 19.393 ( -0.914 -1.440 -1.894) 2.549 ======================= Grid point 286 (151/226) ======================= q-point: ( 0.64 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -8.146 25.545 6.487) 27.586 2.310 ( 12.440 9.996 5.904) 17.015 2.786 ( -10.549 -10.792 4.693) 15.804 3.424 ( 3.682 -1.561 -5.437) 6.749 3.852 ( -4.946 -8.143 -11.344) 14.815 4.027 ( -4.352 2.859 4.660) 6.988 4.359 ( -0.327 9.675 -4.592) 10.714 4.642 ( 8.756 -4.063 -2.047) 9.868 4.859 ( 2.381 -4.583 4.211) 6.664 5.776 ( 22.432 11.715 6.137) 26.040 6.298 ( 2.322 -1.730 -0.741) 2.990 6.554 ( 1.780 4.125 -0.774) 4.558 6.885 ( -6.024 -5.127 -4.815) 9.261 7.095 ( -19.276 -20.539 1.216) 28.194 7.907 ( 3.637 7.841 1.027) 8.705 8.198 ( -14.461 5.435 0.995) 15.481 9.680 ( 14.133 -12.629 0.816) 18.971 10.391 ( -1.632 11.827 -0.772) 11.964 13.986 ( 2.229 -5.120 -0.453) 5.602 14.812 ( -2.095 11.686 -1.102) 11.923 15.523 ( 6.906 8.123 0.419) 10.670 15.574 ( 8.015 2.576 0.721) 8.450 15.883 ( 1.873 4.476 -1.738) 5.154 16.847 ( -8.306 -7.765 2.771) 11.703 17.156 ( -10.112 -12.197 8.929) 18.187 18.357 ( 11.243 10.344 -7.877) 17.189 18.973 ( -0.060 0.079 -0.442) 0.453 19.043 ( 0.493 -1.029 0.286) 1.176 19.081 ( -0.571 -0.395 -1.702) 1.839 19.364 ( 0.021 -1.082 -1.832) 2.128 ======================= Grid point 287 (152/226) ======================= q-point: (-0.27 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -13.304 24.846 4.726) 28.577 2.513 ( -9.612 -5.903 5.956) 12.756 2.649 ( 9.965 4.888 3.140) 11.535 3.299 ( -6.776 -3.301 -7.262) 10.466 3.615 ( -6.598 -7.806 -4.373) 11.117 4.141 ( 7.222 5.136 0.686) 8.889 4.437 ( 2.371 5.758 -3.516) 7.151 4.736 ( 7.907 -4.817 1.056) 9.319 4.876 ( 2.393 -3.250 2.387) 4.689 6.064 ( -14.555 -6.674 0.427) 16.018 6.328 ( 1.797 -0.124 -3.169) 3.645 6.440 ( 1.308 -0.878 -1.977) 2.528 6.807 ( 0.766 -5.035 0.430) 5.111 6.820 ( 5.517 1.410 0.001) 5.695 7.987 ( -5.349 2.336 1.989) 6.166 8.130 ( -0.098 11.625 1.779) 11.761 9.743 ( 9.202 -15.744 0.764) 18.252 10.437 ( -4.919 9.674 -0.199) 10.855 13.985 ( 3.487 -4.874 0.047) 5.993 14.862 ( -4.060 10.200 -1.106) 11.033 15.577 ( -3.532 1.689 0.233) 3.922 15.747 ( 4.449 1.894 1.789) 5.155 15.939 ( 1.051 2.709 -2.441) 3.795 16.654 ( -6.549 -6.401 4.563) 10.232 16.975 ( -2.397 -6.114 2.774) 7.129 18.595 ( 8.519 7.496 -1.978) 11.518 18.968 ( 0.261 -0.643 -1.311) 1.484 19.049 ( 0.739 -0.993 0.418) 1.306 19.062 ( 0.188 -0.089 -1.219) 1.236 19.355 ( 0.925 -0.587 -1.989) 2.271 ======================= Grid point 288 (153/226) ======================= q-point: (-0.18 0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -20.540 8.864 2.076) 22.467 2.345 ( -17.482 5.531 7.172) 19.689 2.774 ( 7.557 -5.128 -1.108) 9.199 3.188 ( -3.658 1.735 -2.771) 4.906 3.577 ( 10.214 -0.423 -0.125) 10.224 4.269 ( 3.106 4.098 -3.269) 6.093 4.486 ( -0.028 1.775 -3.393) 3.829 4.819 ( 6.121 -7.859 6.949) 12.146 4.894 ( 0.195 -0.626 -0.282) 0.713 5.442 ( -32.189 -12.877 -3.035) 34.801 6.302 ( -0.116 -1.970 -1.959) 2.781 6.449 ( -6.130 -0.158 -0.668) 6.169 6.861 ( 6.222 3.058 -2.242) 7.287 7.156 ( 25.668 2.922 1.882) 25.902 7.909 ( -5.432 0.862 2.426) 6.011 8.308 ( 2.842 15.268 1.112) 15.570 9.690 ( 4.251 -18.934 0.466) 19.411 10.414 ( -7.725 7.759 -0.187) 10.950 14.007 ( 4.029 -4.051 0.496) 5.735 14.861 ( -6.251 8.463 -1.299) 10.601 15.434 ( -11.183 -4.840 -1.099) 12.235 15.742 ( -5.799 -1.892 2.189) 6.481 15.926 ( -2.343 0.287 -3.074) 3.876 16.626 ( 4.487 -0.701 6.939) 8.292 16.995 ( 6.248 -0.047 0.499) 6.268 18.738 ( 3.668 2.593 -3.219) 5.526 18.960 ( 0.857 -0.797 -1.767) 2.120 19.040 ( 0.061 -0.706 -0.244) 0.749 19.092 ( 1.849 1.285 1.207) 2.555 19.360 ( 1.024 0.284 -2.502) 2.718 ======================= Grid point 293 (154/226) ======================= q-point: ( 0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 6.620 26.431 11.465) 29.562 1.616 ( -15.492 8.305 18.593) 25.587 2.207 ( -22.062 26.690 10.280) 36.122 3.296 ( 7.233 -8.064 -4.275) 11.646 3.520 ( -1.970 -8.838 -4.120) 9.948 4.168 ( 4.150 0.536 -7.446) 8.541 4.604 ( 5.986 -6.043 -1.276) 8.601 4.667 ( -1.766 -9.647 -0.282) 9.811 5.058 ( 5.125 -4.555 9.074) 11.373 5.195 ( -1.726 5.846 4.198) 7.401 6.080 ( -1.976 3.104 1.020) 3.818 6.283 ( -3.893 3.283 1.593) 5.336 7.154 ( 1.515 -4.182 0.209) 4.453 7.762 ( 1.585 -0.341 -4.227) 4.527 8.419 ( 9.134 -14.849 -0.153) 17.434 8.862 ( -3.433 -2.157 -2.132) 4.581 9.042 ( 2.507 5.320 0.132) 5.883 9.718 ( -12.794 21.113 -7.292) 25.742 14.030 ( 2.602 -2.724 0.104) 3.769 14.461 ( -9.073 13.795 0.574) 16.521 14.708 ( -1.442 6.573 -1.511) 6.897 15.103 ( -8.669 10.471 -7.662) 15.604 15.813 ( -1.270 -0.403 -0.701) 1.505 16.480 ( -14.381 28.761 -9.653) 33.574 17.425 ( 1.625 -3.068 -0.154) 3.475 18.693 ( 6.061 -8.523 -3.852) 11.145 18.985 ( 0.943 -0.663 0.018) 1.153 19.055 ( -0.487 1.278 0.406) 1.427 19.105 ( 0.902 -0.384 0.156) 0.993 19.430 ( 2.621 -8.657 1.791) 9.221 ======================= Grid point 294 (155/226) ======================= q-point: ( 0.36 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -18.661 15.602 8.545) 25.781 1.803 ( -0.471 4.428 21.098) 21.563 2.540 ( 7.325 38.767 2.232) 39.516 3.256 ( 1.179 -6.761 -3.188) 7.567 3.487 ( 6.038 -4.258 -0.928) 7.446 4.188 ( 2.923 -1.322 -6.808) 7.526 4.498 ( -4.952 -7.096 -4.496) 9.751 4.651 ( 6.533 -9.223 2.669) 11.613 5.071 ( -2.116 -5.155 7.830) 9.610 5.184 ( -6.835 3.567 3.146) 8.327 6.128 ( 2.255 4.230 1.182) 4.937 6.253 ( -3.080 3.206 1.406) 4.663 7.134 ( 1.331 -4.958 0.198) 5.137 7.747 ( -0.726 0.409 -3.984) 4.070 8.451 ( -8.740 -18.543 -0.172) 20.501 8.542 ( 10.175 -7.300 -0.749) 12.546 9.374 ( 0.642 13.650 0.072) 13.665 9.720 ( 0.410 20.289 -6.971) 21.457 14.098 ( 4.483 -1.086 0.018) 4.612 14.411 ( -5.462 10.857 -0.423) 12.161 14.773 ( -2.796 10.295 -0.892) 10.705 15.138 ( 2.919 13.331 -5.351) 14.659 15.777 ( -1.505 -0.061 -0.498) 1.586 16.639 ( 0.910 30.530 -6.688) 31.267 17.406 ( 0.101 -3.466 0.028) 3.467 18.586 ( -2.861 -13.928 -4.152) 14.813 18.985 ( 0.041 -0.574 -0.075) 0.580 19.056 ( -0.435 0.246 0.259) 0.563 19.119 ( 0.336 0.677 -0.204) 0.783 19.412 ( 3.186 -7.179 1.034) 7.922 ======================= Grid point 295 (156/226) ======================= q-point: ( 0.45 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 5.439 19.840 8.787) 22.370 1.904 ( -1.050 3.450 16.265) 16.660 2.863 ( -1.295 14.119 -5.108) 15.071 3.314 ( 6.069 -0.276 2.274) 6.487 3.578 ( 7.104 7.656 -3.608) 11.050 4.201 ( 4.758 -4.264 -0.014) 6.389 4.339 ( -3.370 -4.424 -6.793) 8.779 4.677 ( 2.727 -3.622 -0.547) 4.566 4.980 ( -7.332 -2.377 0.626) 7.733 5.123 ( -4.322 1.945 10.675) 11.680 6.231 ( 3.320 4.921 0.316) 5.945 6.264 ( 0.871 1.534 1.731) 2.471 7.101 ( 0.328 -5.449 -0.405) 5.474 7.724 ( -0.945 1.872 -3.081) 3.727 8.076 ( -11.569 -17.870 0.730) 21.300 8.731 ( 18.043 -11.163 -0.956) 21.239 9.276 ( -18.839 12.613 -1.372) 22.713 10.035 ( 12.139 15.694 -3.568) 20.159 14.067 ( -3.902 -2.182 -1.572) 4.739 14.603 ( 13.198 11.078 0.825) 17.251 14.816 ( -3.439 11.761 -0.425) 12.261 15.329 ( 5.249 12.795 -2.988) 14.149 15.767 ( 0.547 0.288 -0.436) 0.756 16.931 ( 4.987 17.312 -0.455) 18.021 17.381 ( -0.051 -0.711 1.852) 1.984 18.327 ( -7.139 -13.165 -7.569) 16.780 18.980 ( -0.046 -0.216 -0.109) 0.246 19.050 ( -0.203 -0.776 0.280) 0.849 19.124 ( -0.553 1.264 -0.756) 1.573 19.395 ( 1.512 -4.869 -0.815) 5.163 ======================= Grid point 296 (157/226) ======================= q-point: ( 0.55 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 8.082 23.247 10.226) 26.652 2.043 ( 4.118 8.896 8.488) 12.967 2.911 ( 1.938 4.136 -0.658) 4.614 3.263 ( -3.771 -9.267 1.884) 10.181 3.804 ( 7.458 8.475 -12.469) 16.821 4.179 ( 0.388 -8.770 -1.899) 8.982 4.328 ( 6.047 0.959 -0.661) 6.158 4.632 ( -7.497 3.828 -4.819) 9.699 4.830 ( -4.852 -4.482 2.365) 7.016 5.252 ( 7.175 8.253 13.032) 17.012 6.260 ( -0.556 0.397 1.085) 1.282 6.383 ( 6.467 4.494 -0.489) 7.890 7.025 ( -2.072 -6.109 -1.929) 6.732 7.605 ( -9.731 -18.213 -0.530) 20.656 7.843 ( -1.211 2.368 0.472) 2.701 8.798 ( -6.905 -0.357 -1.191) 7.016 9.159 ( 3.707 -1.371 -0.746) 4.022 10.320 ( 6.932 12.546 -1.734) 14.438 13.970 ( -2.447 -3.899 -1.815) 4.949 14.889 ( -1.541 12.138 -0.177) 12.237 14.984 ( 17.216 11.081 1.061) 20.501 15.492 ( 1.824 10.005 -1.575) 10.291 15.807 ( 2.878 3.134 -0.615) 4.299 17.028 ( -2.056 -2.972 2.266) 4.266 17.411 ( -2.052 -4.754 12.414) 13.451 18.119 ( -0.408 2.733 -15.356) 15.603 18.977 ( -0.058 -0.304 -0.087) 0.322 19.039 ( -0.175 -1.037 0.341) 1.106 19.115 ( -1.175 0.693 -1.406) 1.959 19.362 ( 0.413 -3.664 -1.631) 4.032 ======================= Grid point 297 (158/226) ======================= q-point: ( 0.64 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 6.558 9.161 4.862) 12.271 2.295 ( -1.237 28.439 8.865) 29.815 2.903 ( -9.860 -4.277 5.480) 12.064 3.249 ( 12.029 -0.324 -3.268) 12.469 3.765 ( -2.958 -6.424 -12.048) 13.970 4.131 ( -1.438 -1.676 -1.227) 2.527 4.420 ( 6.731 -3.031 -7.393) 10.447 4.508 ( -7.432 5.959 0.966) 9.575 4.778 ( 2.196 -6.724 4.318) 8.287 5.614 ( 15.099 13.209 9.044) 22.006 6.260 ( 0.422 -0.534 0.213) 0.713 6.523 ( 5.282 3.557 -1.414) 6.523 6.900 ( -4.272 -5.737 -3.404) 7.921 7.180 ( -15.142 -22.153 1.685) 26.886 7.936 ( 3.144 8.855 -0.013) 9.396 8.576 ( -19.443 7.664 0.203) 20.900 9.282 ( 15.836 -12.999 -0.476) 20.493 10.497 ( 2.077 10.156 -0.655) 10.387 13.900 ( 0.317 -5.076 -1.332) 5.257 14.985 ( -2.083 13.134 -0.016) 13.298 15.365 ( 15.690 8.219 0.451) 17.718 15.578 ( 0.871 5.551 -0.510) 5.642 15.903 ( 2.209 7.076 -1.086) 7.492 16.903 ( -6.221 -7.849 1.847) 10.184 17.239 ( -10.135 -16.299 10.822) 22.034 18.254 ( 9.821 14.613 -9.332) 19.927 18.968 ( -0.215 -1.049 -0.178) 1.086 19.032 ( 0.098 -0.532 0.520) 0.750 19.087 ( -1.326 -0.218 -1.638) 2.118 19.327 ( 0.538 -3.234 -1.865) 3.772 ======================= Grid point 298 (159/226) ======================= q-point: (-0.27 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.403 ( -1.122 12.228 2.090) 12.456 2.637 ( 3.748 25.357 6.980) 26.566 2.648 ( -14.871 -6.931 5.661) 17.356 3.345 ( -3.047 1.410 -6.144) 7.001 3.615 ( -3.325 -5.708 -7.262) 9.817 4.077 ( 3.262 -3.914 2.280) 5.582 4.445 ( 1.701 3.784 -5.416) 6.823 4.544 ( 5.700 -1.032 -1.104) 5.897 4.789 ( 4.275 -7.289 3.743) 9.242 6.034 ( 15.189 8.247 4.072) 17.757 6.274 ( 2.337 0.744 -1.260) 2.757 6.487 ( -11.928 -10.823 -2.880) 16.362 6.762 ( -0.986 -3.416 -3.617) 5.072 6.824 ( -6.083 -6.356 3.953) 9.645 8.076 ( 1.460 8.176 0.066) 8.306 8.374 ( -13.467 10.919 2.052) 17.458 9.383 ( 13.483 -17.491 -0.480) 22.090 10.584 ( -1.812 7.917 -0.021) 8.121 13.872 ( 2.814 -5.170 -0.646) 5.921 15.057 ( -4.529 12.770 -0.303) 13.552 15.625 ( 2.615 1.774 0.668) 3.230 15.650 ( 7.422 4.034 0.209) 8.450 15.980 ( -0.743 7.163 -2.156) 7.517 16.721 ( -6.956 -7.782 3.167) 10.907 16.981 ( -6.423 -11.835 4.687) 14.258 18.525 ( 9.132 11.619 -2.957) 15.071 18.943 ( -0.282 -2.623 -0.833) 2.767 19.040 ( 0.609 0.402 1.012) 1.248 19.058 ( -0.717 -0.340 -1.250) 1.481 19.304 ( 1.575 -2.866 -2.013) 3.841 ======================= Grid point 299 (160/226) ======================= q-point: (-0.18 0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -22.081 2.321 2.547) 22.348 2.555 ( 8.821 -4.213 2.798) 10.168 2.826 ( -16.862 23.502 1.008) 28.943 3.316 ( -9.691 1.539 -0.121) 9.813 3.413 ( 6.889 -2.774 -1.950) 7.678 4.197 ( 8.697 -1.392 0.419) 8.818 4.479 ( 0.970 1.432 -2.660) 3.173 4.636 ( 7.917 -2.322 -2.447) 8.606 4.805 ( 4.101 -7.096 1.607) 8.352 5.874 ( -29.465 -8.731 -0.362) 30.733 6.261 ( 1.283 -1.935 -1.914) 3.009 6.498 ( 7.400 4.225 -0.201) 8.523 6.705 ( 7.513 -2.832 -1.086) 8.103 6.886 ( 8.358 1.489 2.113) 8.749 8.057 ( -8.244 2.283 1.949) 8.773 8.440 ( 1.242 17.729 0.929) 17.796 9.382 ( 8.681 -20.424 -0.660) 22.202 10.592 ( -5.096 5.613 0.218) 7.584 13.887 ( 4.534 -4.278 -0.120) 6.235 15.074 ( -6.905 11.177 -0.822) 13.163 15.573 ( -8.596 -1.813 -0.095) 8.786 15.751 ( 1.626 -3.077 0.925) 3.601 15.994 ( -3.237 5.232 -2.688) 6.714 16.603 ( -0.915 -4.327 6.104) 7.538 16.894 ( 3.564 -3.887 1.022) 5.372 18.705 ( 2.778 5.385 -3.629) 7.063 18.920 ( 1.589 -1.774 -0.805) 2.514 19.039 ( -0.465 -0.259 -0.396) 0.663 19.079 ( 1.960 1.412 1.470) 2.828 19.306 ( 2.655 -1.894 -2.103) 3.881 ======================= Grid point 304 (161/226) ======================= q-point: ( 0.27 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 5.413 24.069 5.592) 25.297 1.903 ( -0.460 12.408 15.113) 19.559 2.942 ( -28.282 15.991 -5.415) 32.938 3.158 ( -4.466 -6.884 4.579) 9.396 3.474 ( -0.782 -1.077 -1.726) 2.180 4.029 ( 4.556 -8.937 -0.479) 10.043 4.433 ( 5.733 -8.202 -1.648) 10.141 4.591 ( -0.048 -4.520 -0.774) 4.586 5.054 ( 2.196 6.063 0.708) 6.487 5.291 ( -1.297 7.076 4.757) 8.625 6.179 ( -4.572 3.990 0.995) 6.149 6.359 ( -2.403 0.751 0.518) 2.570 7.082 ( 1.599 -5.403 -0.001) 5.634 7.722 ( 1.753 1.620 -2.916) 3.768 8.094 ( 9.661 -20.699 0.171) 22.843 8.686 ( 20.929 10.922 -0.141) 23.607 9.235 ( -20.489 -9.258 -0.669) 22.494 10.040 ( -7.571 16.197 -3.509) 18.220 13.976 ( -0.232 -4.581 -0.009) 4.587 14.694 ( 1.192 16.535 -1.071) 16.612 14.877 ( -13.639 6.399 -0.568) 15.077 15.292 ( -7.779 6.408 -3.269) 10.596 15.818 ( -0.027 0.922 -1.408) 1.684 16.924 ( -12.163 14.924 -0.598) 19.262 17.369 ( 1.158 -1.963 1.684) 2.834 18.418 ( 10.890 -7.538 -10.604) 16.966 18.972 ( 0.312 0.037 -0.032) 0.315 19.076 ( 0.050 0.549 0.081) 0.557 19.083 ( 0.340 -0.374 -0.043) 0.507 19.351 ( -0.291 -5.957 1.047) 6.055 ======================= Grid point 305 (162/226) ======================= q-point: ( 0.36 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -19.769 11.108 4.576) 23.133 1.953 ( -2.267 8.701 10.403) 13.750 2.831 ( -0.832 27.249 -2.475) 27.374 3.130 ( 3.960 -6.811 1.597) 8.039 3.467 ( -2.159 6.927 1.898) 7.500 4.024 ( 5.619 -9.479 -1.653) 11.142 4.453 ( 7.418 -10.450 3.010) 13.164 4.508 ( -3.899 -3.007 -3.370) 5.966 5.109 ( -0.885 2.725 -0.575) 2.922 5.326 ( -4.180 5.029 3.595) 7.462 6.182 ( -1.737 5.701 1.983) 6.281 6.322 ( -2.224 0.195 0.220) 2.244 7.050 ( 1.779 -6.617 0.118) 6.853 7.746 ( 0.323 2.271 -2.932) 3.722 8.094 ( 12.671 -19.186 0.482) 22.998 8.674 ( -18.455 -10.645 -1.549) 21.362 9.274 ( 19.897 13.660 0.230) 24.136 10.014 ( -11.719 14.989 -3.124) 19.281 13.990 ( 5.453 -1.674 0.333) 5.714 14.683 ( -14.605 7.985 -2.021) 16.768 14.905 ( 1.962 15.799 -0.450) 15.927 15.239 ( -4.024 9.035 -2.272) 10.148 15.806 ( -1.582 0.840 -1.273) 2.197 16.937 ( -6.047 20.166 -0.639) 21.063 17.373 ( 0.388 -0.904 1.600) 1.878 18.401 ( 4.569 -13.232 -10.382) 17.428 18.975 ( 0.239 -0.384 -0.016) 0.453 19.069 ( -0.918 -0.380 0.096) 0.998 19.104 ( 1.849 0.551 -0.705) 2.054 19.315 ( 1.587 -5.331 2.739) 6.200 ======================= Grid point 306 (163/226) ======================= q-point: ( 0.45 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -9.874 9.101 -0.166) 13.429 2.047 ( -2.212 5.623 11.250) 12.770 3.032 ( -2.036 8.245 -1.471) 8.619 3.219 ( 7.409 2.008 2.472) 8.064 3.578 ( 1.987 16.201 -2.577) 16.525 4.013 ( 5.861 -12.506 2.043) 13.962 4.365 ( -5.086 -3.144 -4.042) 7.217 4.556 ( 8.736 -0.557 2.075) 8.997 5.069 ( -4.848 0.084 -2.109) 5.288 5.299 ( -6.564 5.635 5.750) 10.387 6.236 ( 0.840 5.422 1.166) 5.609 6.305 ( -1.272 1.225 1.505) 2.320 7.017 ( 1.951 -7.188 0.194) 7.451 7.747 ( -1.186 2.076 -3.030) 3.860 8.033 ( -0.638 -23.167 0.819) 23.191 8.399 ( 2.743 -6.909 -1.576) 7.599 9.630 ( -1.136 12.551 -0.323) 12.607 9.990 ( 1.395 12.840 -2.529) 13.160 14.072 ( 2.617 -1.278 -0.438) 2.946 14.574 ( -2.432 7.025 -1.936) 7.682 15.030 ( -4.411 15.335 0.876) 15.981 15.355 ( 5.055 13.092 -1.782) 14.146 15.779 ( -1.540 0.896 -0.744) 1.931 17.043 ( -0.737 8.221 1.138) 8.332 17.406 ( 0.150 4.720 5.432) 7.197 18.232 ( -1.887 -11.663 -12.517) 17.213 18.973 ( 0.184 -0.605 -0.014) 0.632 19.051 ( -0.596 -0.707 0.089) 0.929 19.130 ( 0.857 0.772 -1.302) 1.740 19.315 ( 2.046 -4.310 1.751) 5.083 ======================= Grid point 307 (164/226) ======================= q-point: ( 0.55 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 17.259 10.086 1.614) 20.055 2.132 ( -0.363 8.513 6.857) 10.937 3.025 ( -4.454 5.961 -0.351) 7.450 3.268 ( -2.125 -5.615 6.600) 8.922 3.740 ( 2.977 9.897 -10.077) 14.435 4.002 ( 5.960 -13.544 5.152) 15.668 4.278 ( -0.286 1.965 -7.164) 7.434 4.711 ( 2.706 7.257 -1.963) 7.990 4.928 ( -8.925 -3.136 -0.439) 9.470 5.347 ( -0.143 11.282 10.683) 15.539 6.298 ( -1.848 0.900 1.805) 2.736 6.333 ( 4.095 5.000 -0.164) 6.465 6.966 ( 0.326 -7.650 -0.152) 7.659 7.588 ( -9.490 -18.749 -1.626) 21.076 7.875 ( 0.324 1.588 0.019) 1.621 8.500 ( 16.314 -11.311 -1.396) 19.900 9.496 ( -20.926 10.964 -1.227) 23.657 10.257 ( 11.990 9.734 -1.173) 15.488 14.008 ( -5.596 -1.891 -1.944) 6.218 14.743 ( 13.260 4.735 -0.180) 14.081 15.121 ( -2.515 16.450 1.249) 16.687 15.555 ( 2.801 12.026 -2.228) 12.548 15.789 ( 2.184 2.842 0.143) 3.587 17.038 ( -2.029 -4.548 1.144) 5.110 17.463 ( -2.657 -6.685 14.034) 15.771 18.087 ( 0.087 6.724 -16.564) 17.877 18.970 ( 0.161 -0.808 0.104) 0.830 19.037 ( -0.373 -0.606 0.144) 0.726 19.130 ( -0.625 0.362 -1.527) 1.690 19.306 ( 0.938 -3.836 0.217) 3.955 ======================= Grid point 308 (165/226) ======================= q-point: ( 0.64 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 3.168 8.877 3.045) 9.905 2.361 ( 22.512 11.566 3.739) 25.584 3.030 ( 0.807 4.663 -1.363) 4.924 3.159 ( -7.062 -3.862 6.395) 10.281 3.738 ( -2.687 -0.752 -5.453) 6.126 4.009 ( 5.278 -8.335 -1.388) 9.963 4.316 ( 3.960 5.611 -7.738) 10.346 4.700 ( -9.312 1.814 -0.746) 9.516 4.762 ( -4.775 -2.889 2.156) 5.983 5.606 ( 7.632 14.582 9.453) 18.980 6.278 ( -1.952 0.583 1.260) 2.395 6.453 ( 5.235 3.039 -1.817) 6.320 6.881 ( -1.761 -6.795 -0.186) 7.022 7.200 ( -11.493 -20.639 -0.105) 23.623 7.963 ( 3.334 7.805 -0.663) 8.513 8.650 ( 13.877 -11.150 -0.680) 17.815 9.228 ( -18.911 6.533 -1.069) 20.036 10.499 ( 7.411 7.177 -0.660) 10.338 13.888 ( -4.263 -2.624 -1.661) 5.275 15.005 ( 11.293 3.812 0.349) 11.924 15.296 ( 4.557 15.178 0.535) 15.856 15.625 ( -1.205 4.797 -1.799) 5.263 15.921 ( 4.666 8.848 -0.118) 10.003 16.924 ( -4.493 -7.668 0.625) 8.909 17.279 ( -8.616 -18.812 10.079) 23.016 18.229 ( 6.715 18.198 -8.630) 21.231 18.961 ( -0.260 -1.353 0.429) 1.443 19.031 ( -0.032 -0.072 0.315) 0.325 19.103 ( -1.661 -0.373 -1.311) 2.149 19.276 ( 0.254 -3.792 -0.963) 3.920 ======================= Grid point 309 (166/226) ======================= q-point: ( 0.73 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 2.536 -0.131 -0.914) 2.699 2.751 ( 6.489 9.949 8.226) 14.449 2.981 ( -9.387 4.437 0.870) 10.419 3.283 ( 15.978 7.175 -1.272) 17.561 3.633 ( -6.984 1.813 -1.872) 7.454 3.954 ( -0.126 -9.351 -5.813) 11.011 4.417 ( 3.377 6.913 -3.998) 8.670 4.553 ( -4.690 -4.111 3.114) 6.970 4.695 ( -1.431 -3.052 1.431) 3.662 5.913 ( 10.512 9.065 4.452) 14.577 6.265 ( -0.648 1.173 -0.403) 1.399 6.499 ( -0.636 -5.515 -1.256) 5.692 6.769 ( -5.604 -4.957 -2.120) 7.777 6.875 ( -6.151 -8.935 2.386) 11.107 8.107 ( 4.146 8.314 -0.704) 9.317 8.692 ( -4.815 2.404 1.298) 5.536 9.043 ( 0.647 -8.975 -1.480) 9.119 10.639 ( 2.743 4.901 -0.245) 5.622 13.810 ( -0.919 -2.828 -0.896) 3.105 15.183 ( 3.506 6.846 0.652) 7.719 15.530 ( 7.994 8.117 -0.848) 11.424 15.640 ( 0.767 1.354 -0.286) 1.582 16.055 ( 0.659 8.501 -0.949) 8.579 16.762 ( -5.706 -7.351 0.127) 9.307 17.001 ( -8.072 -14.870 5.692) 17.852 18.495 ( 7.908 14.900 -2.682) 17.081 18.931 ( -1.515 -2.838 0.674) 3.287 19.040 ( 0.531 0.630 0.584) 1.010 19.066 ( -1.255 -0.438 -0.710) 1.507 19.240 ( 0.868 -3.670 -1.758) 4.161 ======================= Grid point 310 (167/226) ======================= q-point: (-0.18 0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 4.603 -6.457 -0.320) 7.936 2.663 ( -18.328 1.235 3.665) 18.731 3.162 ( 11.931 9.807 1.016) 15.478 3.442 ( -12.409 13.925 -2.215) 18.783 3.512 ( -12.198 2.157 -0.147) 12.388 3.907 ( 15.754 -12.307 0.114) 19.992 4.474 ( 0.389 1.119 -0.178) 1.198 4.544 ( 2.752 3.088 -3.012) 5.117 4.675 ( 2.872 -5.030 1.103) 5.896 6.162 ( 7.224 2.251 2.461) 7.957 6.231 ( -16.063 -6.963 -2.514) 17.687 6.314 ( 6.717 1.049 -0.517) 6.818 6.669 ( -1.219 -3.232 0.757) 3.537 6.834 ( 1.286 1.420 0.334) 1.945 8.195 ( -2.545 3.265 0.274) 4.148 8.639 ( -7.319 12.886 1.565) 14.902 9.026 ( 10.951 -16.365 -1.440) 19.744 10.686 ( -1.279 2.476 0.066) 2.787 13.795 ( 2.224 -1.975 -0.298) 2.989 15.254 ( -3.207 6.727 -0.137) 7.453 15.644 ( 0.191 -0.800 1.222) 1.473 15.686 ( 2.984 0.601 -1.261) 3.295 16.090 ( -3.210 5.202 -1.200) 6.229 16.621 ( -3.640 -4.893 1.534) 6.289 16.827 ( -1.336 -6.866 2.396) 7.394 18.713 ( 3.251 9.534 -2.458) 10.369 18.876 ( 0.031 -3.279 0.699) 3.353 19.043 ( -0.558 -0.363 -0.511) 0.839 19.072 ( 1.266 1.383 1.395) 2.337 19.228 ( 2.614 -2.583 -1.722) 4.058 ======================= Grid point 315 (168/226) ======================= q-point: ( 0.27 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 8.592 25.405 0.202) 26.819 2.079 ( -1.274 10.549 10.505) 14.942 3.019 ( 3.065 -4.272 0.660) 5.299 3.456 ( -7.773 -1.346 -1.527) 8.035 3.675 ( -19.521 8.402 -6.640) 22.265 3.868 ( -0.239 -10.151 9.220) 13.715 4.234 ( 6.602 -8.255 -5.333) 11.839 4.619 ( -4.122 1.534 1.322) 4.592 5.026 ( 5.216 1.838 -2.397) 6.027 5.489 ( -8.716 12.785 4.347) 16.073 6.301 ( -4.419 4.169 0.318) 6.083 6.393 ( -2.467 -1.165 -1.100) 2.941 6.998 ( 1.897 -5.461 -0.673) 5.820 7.587 ( 13.886 -16.707 -2.113) 21.827 7.816 ( 1.311 -1.493 2.249) 3.001 8.445 ( 19.274 9.423 0.428) 21.458 9.470 ( -19.212 -11.439 -0.333) 22.362 10.258 ( -2.882 13.545 -1.208) 13.901 13.948 ( -2.206 -5.572 0.049) 5.993 14.789 ( 2.849 13.679 -1.708) 14.077 15.188 ( -13.675 6.996 -0.884) 15.386 15.467 ( -7.073 5.729 0.294) 9.107 15.833 ( -1.003 3.099 -1.636) 3.645 17.033 ( 4.412 -3.289 1.843) 5.803 17.392 ( 3.452 -3.087 13.413) 14.190 18.204 ( -0.983 3.550 -18.180) 18.549 18.970 ( 0.104 0.262 -0.135) 0.312 19.057 ( 0.456 -0.643 -0.605) 0.994 19.099 ( -0.506 0.762 0.028) 0.915 19.315 ( -1.024 -4.863 0.015) 4.969 ======================= Grid point 316 (169/226) ======================= q-point: ( 0.36 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -0.310 10.140 7.064) 12.362 2.331 ( -4.567 21.679 -2.780) 22.329 3.010 ( 0.845 1.285 -2.403) 2.853 3.118 ( -15.630 -3.112 3.308) 16.276 3.614 ( -0.929 8.403 -4.251) 9.463 3.869 ( 2.190 -4.469 8.805) 10.114 4.236 ( 7.098 -10.747 0.838) 12.906 4.560 ( -4.794 0.728 -0.291) 4.858 5.091 ( 3.707 0.148 -6.087) 7.128 5.502 ( -6.214 10.880 3.312) 12.960 6.296 ( -3.060 6.373 1.811) 7.298 6.336 ( -1.253 -1.865 -1.319) 2.605 6.958 ( 1.147 -7.240 0.274) 7.335 7.635 ( 12.315 -16.507 -1.498) 20.649 7.824 ( -0.164 -0.143 1.139) 1.160 8.800 ( -0.316 -2.746 -1.093) 2.972 9.122 ( 2.647 2.046 0.351) 3.364 10.299 ( -7.338 12.269 -0.880) 14.323 13.902 ( 2.436 -3.119 0.426) 3.980 14.944 ( -5.367 6.915 -1.932) 8.964 15.062 ( -5.559 16.832 -1.394) 17.781 15.407 ( -6.848 6.371 1.073) 9.415 15.837 ( -1.387 2.917 -1.894) 3.744 17.061 ( 2.097 -2.888 0.737) 3.645 17.455 ( -1.528 1.399 12.807) 12.974 18.153 ( 3.135 -0.781 -19.131) 19.402 18.972 ( -0.071 -0.015 0.017) 0.075 19.063 ( 1.015 -0.687 -0.569) 1.351 19.090 ( -0.569 0.027 -0.307) 0.646 19.271 ( 0.490 -4.096 2.615) 4.884 ======================= Grid point 317 (170/226) ======================= q-point: ( 0.45 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -25.790 5.141 -5.755) 26.920 2.197 ( -3.157 10.286 3.904) 11.446 3.034 ( 2.058 -4.954 4.687) 7.124 3.153 ( 6.646 8.276 0.674) 10.636 3.666 ( 3.914 0.119 -4.470) 5.943 3.910 ( -2.296 3.896 5.998) 7.512 4.316 ( 8.229 -5.241 3.663) 10.421 4.488 ( -1.597 2.740 -0.987) 3.321 5.092 ( 0.227 -0.702 -6.234) 6.278 5.516 ( -6.735 11.864 3.274) 14.030 6.294 ( -0.763 1.504 -0.941) 1.931 6.348 ( -1.197 4.739 3.259) 5.875 6.911 ( 1.908 -7.950 0.849) 8.219 7.641 ( 9.585 -21.760 -1.036) 23.801 7.829 ( -0.290 2.231 -0.325) 2.273 8.459 ( -15.116 -9.661 -2.092) 18.061 9.521 ( 20.672 11.082 0.280) 23.457 10.237 ( -11.902 9.907 -0.768) 15.505 13.970 ( 6.707 -0.892 0.580) 6.791 14.767 ( -13.248 4.308 -2.797) 14.209 15.242 ( -0.951 17.354 0.172) 17.381 15.412 ( 0.130 9.606 0.509) 9.620 15.820 ( -2.297 2.082 -1.603) 3.490 17.054 ( 1.324 -5.149 0.045) 5.317 17.508 ( -0.526 -2.498 14.194) 14.421 18.094 ( 0.460 3.791 -19.406) 19.778 18.968 ( -0.158 -0.522 0.176) 0.573 19.054 ( -0.513 -0.882 -0.051) 1.022 19.099 ( 1.793 -0.104 -1.382) 2.267 19.271 ( 1.112 -2.650 3.524) 4.547 ======================= Grid point 318 (171/226) ======================= q-point: ( 0.55 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -4.407 3.853 -4.614) 7.454 2.271 ( -2.242 10.934 1.994) 11.338 3.050 ( 2.370 -3.343 -1.153) 4.257 3.272 ( 1.160 -1.520 6.701) 6.969 3.691 ( 4.970 -9.347 1.981) 10.770 3.928 ( -2.641 5.465 1.735) 6.313 4.288 ( -2.780 1.096 -6.149) 6.837 4.677 ( 9.619 8.632 1.092) 12.970 5.017 ( -4.889 -1.956 -3.442) 6.291 5.571 ( -4.821 16.742 5.960) 18.414 6.318 ( 1.427 2.081 -0.245) 2.535 6.375 ( -2.325 3.738 2.950) 5.299 6.873 ( 1.816 -7.861 1.188) 8.156 7.472 ( -1.163 -26.245 -1.451) 26.311 7.869 ( 1.912 4.557 -0.935) 5.029 8.242 ( 0.836 -7.264 -2.208) 7.638 9.835 ( -1.777 8.880 -0.896) 9.100 10.172 ( 1.276 7.396 -0.218) 7.508 14.045 ( 0.590 -0.824 -0.562) 1.159 14.663 ( -0.434 4.212 -1.054) 4.363 15.324 ( -4.168 12.560 1.236) 13.291 15.598 ( 5.205 13.194 -2.194) 14.352 15.800 ( -0.714 2.063 -0.104) 2.185 17.004 ( -0.180 -7.214 -0.265) 7.221 17.464 ( -1.960 -17.189 11.307) 20.668 18.116 ( 0.512 17.923 -13.645) 22.532 18.961 ( -0.004 -0.792 0.336) 0.860 19.039 ( -0.407 -0.496 0.165) 0.663 19.117 ( 1.256 -0.349 -1.891) 2.297 19.276 ( 0.038 -2.243 2.911) 3.675 ======================= Grid point 319 (172/226) ======================= q-point: ( 0.64 0.55 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 23.933 4.606 -2.511) 24.501 2.353 ( -1.120 9.485 0.477) 9.563 3.021 ( 0.388 -2.660 -6.287) 6.838 3.255 ( -3.327 -4.008 8.694) 10.135 3.672 ( 3.689 -13.548 7.166) 15.765 3.947 ( -1.338 4.867 -1.781) 5.353 4.293 ( 2.233 7.814 -6.394) 10.341 4.825 ( -2.485 5.201 -4.019) 7.027 4.867 ( -7.390 -1.635 1.587) 7.733 5.739 ( -0.205 17.002 7.527) 18.594 6.335 ( -2.275 0.891 2.014) 3.166 6.405 ( 2.268 1.713 -0.999) 3.012 6.830 ( 0.559 -6.170 2.015) 6.515 7.149 ( -6.521 -21.526 -2.023) 22.583 7.967 ( 3.619 6.449 -1.195) 7.492 8.278 ( 12.854 -9.397 -1.723) 16.015 9.657 ( -21.173 6.456 -0.995) 22.158 10.390 ( 11.620 4.722 -0.275) 12.546 13.963 ( -6.731 -0.903 -1.307) 6.916 14.819 ( 12.358 3.207 0.670) 12.785 15.398 ( -0.317 10.211 0.323) 10.221 15.688 ( -2.173 4.374 -2.900) 5.680 15.916 ( 6.337 8.990 0.754) 11.025 16.907 ( -2.328 -7.667 -1.099) 8.087 17.254 ( -5.418 -19.322 6.072) 20.966 18.294 ( 3.375 19.455 -5.406) 20.472 18.955 ( -0.051 -0.990 0.710) 1.219 19.034 ( -0.114 0.094 0.366) 0.395 19.112 ( -0.330 -0.505 -1.275) 1.411 19.251 ( -1.390 -2.716 1.449) 3.378 ======================= Grid point 320 (173/226) ======================= q-point: (-0.27 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -1.560 1.205 -3.062) 3.642 2.531 ( 29.223 4.181 0.585) 29.526 2.996 ( 4.169 -4.034 -7.068) 9.144 3.223 ( -2.924 6.086 7.099) 9.798 3.638 ( 3.107 -12.187 6.803) 14.299 3.941 ( -2.945 2.398 -4.348) 5.773 4.419 ( 3.690 10.895 -3.183) 11.935 4.638 ( -9.885 -7.642 3.267) 12.915 4.816 ( -8.103 6.872 -1.385) 10.715 5.902 ( 2.187 5.403 3.893) 7.009 6.309 ( -2.496 1.863 0.309) 3.130 6.433 ( 2.186 -3.223 -0.393) 3.914 6.800 ( -2.332 -2.805 1.695) 4.022 6.876 ( -4.483 -8.885 -1.645) 10.087 8.088 ( 4.890 4.058 -0.999) 6.432 8.448 ( 16.707 -6.006 -1.037) 17.784 9.322 ( -23.150 3.146 -0.393) 23.366 10.585 ( 7.567 2.276 -0.314) 7.908 13.843 ( -5.290 -0.726 -0.676) 5.383 15.074 ( 12.846 2.539 1.072) 13.138 15.511 ( 3.933 6.438 -0.787) 7.585 15.660 ( -2.333 0.853 -1.136) 2.731 16.094 ( 3.925 7.321 0.032) 8.307 16.769 ( -4.165 -6.840 -3.165) 8.611 17.014 ( -6.629 -13.039 4.041) 15.175 18.522 ( 5.269 15.346 -1.396) 16.285 18.941 ( -1.230 -1.544 1.599) 2.540 19.042 ( 0.279 0.727 0.478) 0.914 19.087 ( -1.652 -0.369 0.432) 1.747 19.198 ( -1.178 -3.340 -0.710) 3.613 ======================= Grid point 321 (174/226) ======================= q-point: (-0.18 -0.45 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -0.986 -4.951 -1.261) 5.204 2.898 ( -1.068 -6.433 -6.844) 9.454 2.998 ( 10.908 8.859 4.396) 14.724 3.441 ( 15.949 1.452 1.689) 16.104 3.620 ( 1.068 0.596 2.413) 2.705 3.789 ( -10.865 -8.149 -2.452) 13.801 4.465 ( -2.239 -6.411 3.249) 7.528 4.562 ( 1.921 9.517 -1.409) 9.811 4.730 ( -8.684 7.054 0.012) 11.188 5.978 ( 8.062 -6.181 0.905) 10.199 6.295 ( -1.316 2.991 -2.128) 3.899 6.415 ( -4.628 0.429 2.154) 5.122 6.666 ( -3.942 -2.894 -1.345) 5.072 6.848 ( -0.538 1.732 0.394) 1.856 8.179 ( 4.692 -2.373 -0.338) 5.269 8.699 ( 15.392 1.109 -0.903) 15.458 8.966 ( -19.992 0.672 0.688) 20.015 10.682 ( 2.998 -0.168 -0.108) 3.005 13.780 ( -1.547 0.196 0.004) 1.559 15.270 ( 6.318 1.423 0.768) 6.522 15.618 ( 1.322 0.703 -1.266) 1.961 15.635 ( 3.262 -1.097 0.740) 3.521 16.168 ( -0.884 2.337 0.444) 2.538 16.629 ( -3.340 -3.577 -4.935) 6.950 16.840 ( -5.288 -4.970 2.832) 7.790 18.739 ( 5.222 11.427 -0.891) 12.595 18.885 ( -4.004 -3.104 2.341) 5.581 19.047 ( -0.515 -0.056 -0.160) 0.542 19.079 ( 0.017 1.038 1.676) 1.972 19.162 ( 1.407 -2.229 -1.227) 2.907 ======================= Grid point 326 (175/226) ======================= q-point: ( 0.27 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 13.200 25.032 1.686) 28.349 2.281 ( -7.724 5.953 5.934) 11.415 2.886 ( 9.617 -2.900 1.879) 10.219 3.441 ( 0.671 -6.167 -3.973) 7.366 3.802 ( -4.545 -0.207 5.505) 7.142 3.985 ( 6.202 -6.958 -7.698) 12.089 4.167 ( -14.976 7.230 -0.882) 16.653 4.724 ( -4.476 0.811 2.497) 5.190 4.934 ( 2.128 -2.874 -2.040) 4.117 5.836 ( -14.771 10.910 1.542) 18.428 6.389 ( -1.147 3.462 -1.385) 3.901 6.411 ( -2.974 -3.962 -1.594) 5.204 6.910 ( 2.595 -3.037 -2.465) 4.694 7.088 ( 19.296 -18.597 1.301) 26.830 7.902 ( -3.711 6.649 2.840) 8.127 8.235 ( 15.283 7.048 0.850) 16.851 9.638 ( -15.232 -13.881 0.157) 20.609 10.390 ( 1.127 11.415 -0.290) 11.475 13.940 ( -3.436 -5.833 0.051) 6.770 14.855 ( 3.333 12.267 -1.467) 12.796 15.419 ( -7.685 3.876 -0.944) 8.659 15.625 ( -5.348 2.745 1.112) 6.114 15.918 ( -3.977 7.150 -0.046) 8.182 16.863 ( 8.908 -7.201 1.720) 11.583 17.216 ( 12.456 -9.720 8.338) 17.865 18.349 ( -11.613 10.203 -8.517) 17.650 18.970 ( 0.118 0.221 -0.329) 0.413 19.050 ( -0.340 -0.059 -0.640) 0.727 19.110 ( 0.039 0.956 -0.595) 1.127 19.287 ( -1.627 -4.938 -0.987) 5.291 ======================= Grid point 327 (176/226) ======================= q-point: ( 0.36 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -1.152 8.521 4.440) 9.678 2.488 ( 9.757 26.118 -2.027) 27.955 2.986 ( 3.055 2.761 1.086) 4.259 3.310 ( -6.086 -10.879 -3.696) 13.002 3.656 ( -12.546 -1.330 1.046) 12.660 3.965 ( 2.790 -4.947 4.363) 7.162 4.085 ( -3.680 6.384 1.905) 7.611 4.652 ( -4.865 -0.232 0.987) 4.970 4.939 ( 6.243 -5.520 -6.733) 10.713 5.757 ( -8.673 11.816 0.609) 14.670 6.327 ( -1.704 -3.279 -2.142) 4.271 6.402 ( -1.498 5.273 0.944) 5.562 6.878 ( 0.463 -6.569 0.154) 6.588 7.203 ( 15.459 -18.741 -0.318) 24.296 7.919 ( -4.061 7.151 2.033) 8.471 8.630 ( 18.822 8.166 0.525) 20.524 9.217 ( -15.761 -13.021 -0.479) 20.450 10.487 ( -2.555 10.028 0.070) 10.349 13.852 ( -0.409 -4.221 0.441) 4.263 15.036 ( 2.528 12.136 -1.456) 12.482 15.324 ( -9.330 9.001 -1.217) 13.021 15.572 ( -5.154 3.604 1.721) 6.520 15.916 ( -4.208 6.408 -0.521) 7.684 16.922 ( 6.529 -8.247 0.423) 10.528 17.343 ( 11.241 -14.589 8.085) 20.114 18.235 ( -10.199 14.874 -10.641) 20.940 18.972 ( 0.100 -0.113 -0.288) 0.326 19.044 ( 0.209 -0.055 -0.522) 0.565 19.100 ( -1.158 -0.464 -0.940) 1.562 19.232 ( 0.790 -4.223 1.982) 4.732 ======================= Grid point 328 (177/226) ======================= q-point: ( 0.45 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -1.159 7.563 1.993) 7.907 2.590 ( -21.306 12.815 -9.387) 26.577 3.004 ( -7.253 -10.767 3.727) 13.506 3.151 ( 5.062 10.474 -0.651) 11.651 3.528 ( 1.520 -7.282 2.378) 7.810 4.077 ( 1.266 -1.593 1.665) 2.629 4.129 ( 6.547 8.860 8.786) 14.091 4.565 ( -4.948 -0.296 -1.379) 5.146 4.972 ( 7.095 -3.952 -7.643) 11.152 5.767 ( -5.838 14.392 0.681) 15.546 6.279 ( 0.342 -1.571 -1.753) 2.378 6.450 ( -1.099 5.833 2.968) 6.636 6.817 ( 0.694 -8.084 1.474) 8.247 7.232 ( 11.237 -21.191 -1.377) 24.026 7.923 ( -4.282 7.013 0.809) 8.257 8.617 ( -15.687 -10.793 -2.226) 19.171 9.256 ( 20.873 7.433 1.032) 22.181 10.487 ( -7.704 7.443 0.031) 10.712 13.864 ( 4.666 -1.443 0.804) 4.950 15.017 ( -12.157 3.663 -1.923) 12.842 15.387 ( 1.962 16.500 -0.789) 16.635 15.543 ( -4.646 5.567 1.963) 7.512 15.892 ( -4.199 4.117 -1.120) 5.986 16.931 ( 4.479 -8.688 -0.494) 9.787 17.376 ( 7.703 -18.560 5.512) 20.837 18.205 ( -6.712 18.698 -9.215) 21.899 18.965 ( -0.077 -0.980 0.068) 0.986 19.048 ( 0.341 -0.302 -0.280) 0.535 19.073 ( -0.054 -0.814 -0.912) 1.224 19.244 ( 1.862 -1.905 3.628) 4.501 ======================= Grid point 329 (178/226) ======================= q-point: ( 0.55 0.64 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -26.563 1.979 -6.355) 27.384 2.434 ( -3.583 13.202 -2.230) 13.861 2.918 ( 4.147 -8.816 -2.066) 9.959 3.259 ( 1.677 -2.225 3.961) 4.843 3.543 ( 3.868 -6.897 8.180) 11.377 4.059 ( -4.225 3.599 1.960) 5.886 4.320 ( -0.563 3.366 -2.377) 4.158 4.592 ( 9.402 7.122 1.380) 11.875 4.999 ( 2.437 -2.018 -5.263) 6.141 5.850 ( -4.254 18.513 2.762) 19.196 6.294 ( 2.517 0.530 -0.952) 2.743 6.472 ( -3.015 0.855 3.692) 4.843 6.779 ( 2.075 -5.638 1.672) 6.236 7.148 ( 6.179 -24.456 -1.923) 25.298 7.929 ( -2.752 6.856 -0.348) 7.396 8.262 ( -11.442 -7.957 -2.777) 14.211 9.692 ( 20.157 6.093 0.050) 21.057 10.379 ( -11.864 5.122 0.000) 12.923 13.968 ( 6.785 0.018 0.637) 6.815 14.813 ( -12.302 2.630 -1.148) 12.633 15.511 ( -5.081 7.957 1.382) 9.541 15.622 ( 5.443 12.524 -1.547) 13.743 15.852 ( -3.286 2.244 -0.587) 4.022 16.903 ( 2.544 -8.342 -1.342) 8.824 17.298 ( 3.257 -19.811 2.323) 20.211 18.279 ( -2.691 19.453 -4.977) 20.259 18.956 ( 0.022 -1.031 0.611) 1.199 19.042 ( -0.304 -0.399 0.376) 0.627 19.077 ( 1.484 -0.327 -1.595) 2.202 19.275 ( 0.761 -0.848 3.967) 4.127 ======================= Grid point 330 (179/226) ======================= q-point: (-0.36 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -1.363 1.729 -5.482) 5.907 2.486 ( -3.492 9.454 -1.861) 10.248 2.895 ( 4.203 -6.054 -8.706) 11.407 3.251 ( 1.890 -8.614 7.915) 11.850 3.561 ( 0.746 -7.477 10.322) 12.767 4.030 ( -3.554 3.330 0.204) 4.874 4.325 ( 0.205 7.506 -2.708) 7.982 4.840 ( 6.773 8.282 -2.230) 10.929 4.944 ( -3.882 -2.725 -1.748) 5.055 5.969 ( -4.132 11.987 5.319) 13.750 6.347 ( 2.677 0.816 -0.675) 2.879 6.408 ( -2.738 -4.739 2.672) 6.091 6.789 ( 1.072 0.556 1.548) 1.963 6.979 ( 1.080 -18.270 -1.886) 18.398 7.973 ( 1.125 5.678 -1.318) 5.937 8.089 ( 0.144 -5.002 -2.421) 5.559 9.943 ( -1.681 3.204 -1.474) 3.907 10.272 ( 0.750 2.793 0.737) 2.985 14.033 ( -0.924 0.051 -0.333) 0.984 14.727 ( 0.896 2.656 0.678) 2.884 15.500 ( -3.136 4.119 0.578) 5.209 15.748 ( -1.815 4.501 -3.880) 6.213 15.896 ( 5.473 6.403 1.772) 8.608 16.840 ( 0.307 -7.451 -3.086) 8.071 17.150 ( -0.636 -15.539 1.123) 15.592 18.423 ( 0.516 16.580 -1.478) 16.654 18.952 ( -0.033 -0.681 1.009) 1.218 19.040 ( -0.097 0.178 0.694) 0.723 19.090 ( 1.221 -0.405 -1.465) 1.949 19.280 ( -1.835 -0.802 3.595) 4.115 ======================= Grid point 331 (180/226) ======================= q-point: (-0.27 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( 26.694 1.303 -5.200) 27.227 2.446 ( -5.396 -1.322 -1.794) 5.838 2.849 ( 2.166 -3.645 -10.718) 11.526 3.295 ( 6.475 -2.871 8.739) 11.249 3.540 ( -1.746 -4.338 9.153) 10.278 4.005 ( -3.757 3.088 -0.379) 4.878 4.446 ( 4.272 9.254 -0.473) 10.204 4.744 ( -10.547 -7.370 -0.640) 12.883 4.978 ( -1.149 8.269 -1.999) 8.585 5.920 ( -2.929 -12.194 2.818) 12.853 6.371 ( 1.702 -0.285 0.580) 1.821 6.377 ( -1.761 1.584 0.567) 2.435 6.817 ( -1.244 -2.621 2.097) 3.580 6.875 ( -1.540 4.850 -1.656) 5.351 8.009 ( 3.592 -3.798 -1.398) 5.411 8.188 ( 11.483 4.913 -1.543) 12.585 9.716 ( -20.716 0.388 -0.871) 20.738 10.437 ( 10.990 0.301 0.157) 10.996 13.949 ( -7.095 0.260 -0.275) 7.105 14.881 ( 12.019 2.045 1.317) 12.263 15.503 ( 0.781 0.879 -0.187) 1.191 15.701 ( -3.084 -1.087 -1.469) 3.585 16.062 ( 6.117 3.463 0.715) 7.066 16.739 ( -2.039 -5.379 -6.053) 8.350 17.012 ( -3.247 -7.005 1.256) 7.822 18.591 ( 2.756 12.729 0.130) 13.024 18.951 ( -0.278 -0.467 1.465) 1.563 19.050 ( 0.134 1.017 0.818) 1.313 19.096 ( 0.539 -0.509 0.021) 0.742 19.229 ( -4.567 -1.522 2.475) 5.412 ======================= Grid point 332 (181/226) ======================= q-point: (-0.18 -0.36 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -4.748 -7.622 -1.893) 9.177 2.517 ( 31.221 -2.146 -6.030) 31.870 2.824 ( 5.968 -2.555 -8.832) 10.961 3.477 ( 9.644 -10.263 7.993) 16.194 3.527 ( -4.220 13.671 8.498) 16.641 3.906 ( -10.870 -0.935 -2.226) 11.135 4.470 ( -7.661 -12.542 3.348) 15.074 4.602 ( 3.585 7.300 0.606) 8.155 4.975 ( -7.319 9.405 -3.236) 12.350 5.773 ( 4.195 -17.486 -0.480) 17.989 6.349 ( -2.617 1.202 -0.481) 2.920 6.420 ( 3.386 0.061 0.661) 3.450 6.760 ( -5.352 3.192 1.516) 6.414 6.914 ( -3.612 9.076 -1.418) 9.870 8.032 ( 5.465 -7.027 -0.194) 8.904 8.489 ( 15.556 9.515 -1.141) 18.271 9.329 ( -22.802 -2.417 0.205) 22.931 10.585 ( 7.246 -2.016 0.053) 7.521 13.847 ( -5.213 1.185 0.451) 5.365 15.116 ( 12.296 0.445 0.810) 12.331 15.545 ( 4.468 -1.449 -0.080) 4.697 15.615 ( -2.438 -6.067 0.246) 6.543 16.150 ( 3.180 -2.586 1.228) 4.279 16.629 ( -3.060 -0.249 -8.389) 8.933 16.918 ( -4.964 0.569 0.830) 5.065 18.756 ( 4.026 9.097 -0.143) 9.949 18.940 ( -2.076 -0.555 2.356) 3.189 19.061 ( -0.650 0.845 0.230) 1.091 19.114 ( 1.032 1.030 3.292) 3.600 19.137 ( -4.195 -2.073 0.049) 4.680 ======================= Grid point 337 (182/226) ======================= q-point: ( 0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 14.030 23.398 5.076) 27.750 2.430 ( -1.413 -4.713 0.529) 4.948 2.703 ( 7.085 -0.634 8.661) 11.207 3.412 ( 1.046 4.832 -6.669) 8.302 3.656 ( 7.594 -3.975 -6.273) 10.622 4.013 ( -9.236 -2.560 -1.364) 9.681 4.434 ( -7.920 7.870 0.945) 11.206 4.730 ( 1.652 -7.688 1.064) 7.935 4.950 ( -5.168 0.463 1.712) 5.464 5.966 ( 11.288 -10.238 -2.989) 15.529 6.375 ( -2.051 -1.995 0.144) 2.865 6.397 ( 1.207 1.291 -2.458) 3.028 6.827 ( -2.474 -3.454 2.314) 4.838 6.866 ( -2.988 2.246 -1.901) 4.194 7.989 ( 4.881 2.358 1.232) 5.559 8.158 ( 1.516 12.565 2.502) 12.901 9.705 ( -10.155 -16.939 0.545) 19.757 10.439 ( 4.729 9.292 -0.208) 10.428 13.948 ( -4.081 -5.600 -0.157) 6.930 14.899 ( 4.338 11.122 -0.975) 11.978 15.507 ( -0.535 0.970 -0.609) 1.264 15.688 ( -0.864 -2.193 0.242) 2.369 16.055 ( -1.087 7.026 1.423) 7.251 16.662 ( 6.763 -6.176 4.012) 9.998 17.008 ( 4.284 -5.158 1.906) 6.971 18.598 ( -9.099 7.924 -0.987) 12.106 18.967 ( -0.047 0.020 -0.763) 0.764 19.060 ( -0.962 0.458 -0.552) 1.200 19.107 ( 0.939 1.084 -1.150) 1.839 19.266 ( -2.731 -5.193 -2.548) 6.397 ======================= Grid point 338 (183/226) ======================= q-point: ( 0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -0.613 2.118 4.044) 4.606 2.538 ( 13.587 25.359 -0.051) 28.769 2.904 ( 10.706 1.284 5.109) 11.932 3.315 ( -9.165 0.284 -5.173) 10.528 3.741 ( 8.592 -6.131 -7.130) 12.738 3.878 ( -5.933 -1.817 4.549) 7.694 4.366 ( -10.866 9.997 3.413) 15.154 4.679 ( 1.427 -8.374 -1.954) 8.716 4.813 ( -6.329 -4.738 -1.242) 8.003 5.956 ( -2.852 2.797 -2.919) 4.948 6.310 ( -1.874 -3.565 -0.130) 4.030 6.437 ( 1.952 2.151 -0.999) 3.071 6.797 ( 2.496 -10.155 2.629) 10.783 6.870 ( 4.894 -2.542 -1.291) 5.665 8.070 ( -1.663 7.214 1.438) 7.542 8.428 ( 14.153 11.655 1.481) 18.394 9.322 ( -14.087 -17.929 -0.366) 22.804 10.581 ( 1.671 7.732 0.232) 7.914 13.836 ( -2.478 -4.535 0.160) 5.170 15.091 ( 4.293 12.331 -1.190) 13.111 15.505 ( -3.536 5.661 -0.011) 6.675 15.650 ( -1.898 -0.334 0.267) 1.946 16.081 ( -5.189 7.237 1.496) 9.030 16.725 ( 6.995 -8.456 2.509) 11.257 17.044 ( 8.489 -11.329 0.459) 14.164 18.523 ( -10.181 11.898 -1.720) 15.753 18.962 ( 0.155 -0.887 -1.123) 1.440 19.048 ( -0.568 0.365 -0.433) 0.801 19.109 ( -1.201 -0.233 -2.176) 2.497 19.184 ( 0.743 -4.575 1.213) 4.791 ======================= Grid point 339 (184/226) ======================= q-point: ( 0.45 0.73 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 2.533 1.904 2.800) 4.228 2.855 ( -2.095 14.567 -5.335) 15.654 3.006 ( -1.097 -11.014 -2.890) 11.440 3.261 ( -2.576 17.029 1.818) 17.318 3.615 ( -14.253 -4.951 0.601) 15.100 3.872 ( 10.336 -4.041 5.063) 12.198 4.342 ( -6.798 9.879 5.349) 13.131 4.596 ( -1.446 -5.674 -2.386) 6.323 4.745 ( 7.140 -5.261 -5.054) 10.208 5.965 ( -2.264 11.250 -1.875) 11.628 6.257 ( -0.799 -2.097 0.193) 2.252 6.484 ( 2.237 -0.922 0.684) 2.515 6.736 ( 0.780 -8.688 2.152) 8.985 6.910 ( 6.006 -8.772 -2.103) 10.837 8.093 ( -5.148 8.235 1.202) 9.786 8.712 ( -2.202 -1.226 -1.300) 2.836 9.024 ( 6.838 -4.881 1.045) 8.466 10.636 ( -2.812 5.065 0.205) 5.797 13.799 ( 1.667 -1.800 0.601) 2.526 15.197 ( -4.365 5.932 -1.219) 7.465 15.517 ( -1.953 10.109 0.797) 10.326 15.639 ( -1.065 2.574 -0.068) 2.787 16.038 ( -7.224 4.798 0.949) 8.724 16.756 ( 5.667 -8.618 0.630) 10.334 17.063 ( 9.008 -14.868 -1.827) 17.480 18.482 ( -8.742 14.470 -1.357) 16.960 18.942 ( 0.591 -2.750 -0.804) 2.925 19.045 ( -0.086 0.287 -0.108) 0.319 19.070 ( -0.885 -0.646 -1.090) 1.545 19.206 ( 2.783 -1.221 2.838) 4.158 ======================= Grid point 340 (185/226) ======================= q-point: (-0.45 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( -5.089 3.616 0.083) 6.243 2.704 ( -15.557 -6.312 -3.388) 17.127 2.779 ( -9.608 4.285 -9.983) 14.503 3.262 ( -3.744 -1.183 4.602) 6.049 3.505 ( 0.648 -3.471 7.499) 8.289 4.088 ( 7.283 2.871 0.857) 7.875 4.373 ( -1.049 6.723 3.894) 7.840 4.541 ( 1.867 1.297 -0.735) 2.389 4.850 ( 9.486 -1.805 -4.370) 10.599 6.069 ( -1.274 14.486 0.415) 14.548 6.253 ( 1.459 -0.423 0.626) 1.643 6.453 ( 1.256 -12.825 1.667) 12.993 6.723 ( 2.423 -0.520 1.658) 2.981 6.875 ( 2.764 -9.617 -2.911) 10.421 8.074 ( -5.807 6.231 0.370) 8.526 8.410 ( -15.768 -6.237 -2.617) 17.157 9.372 ( 22.776 2.963 0.960) 22.988 10.585 ( -7.765 2.651 -0.016) 8.205 13.861 ( 5.892 0.283 0.757) 5.947 15.057 ( -13.501 1.707 -0.371) 13.614 15.632 ( -2.083 1.843 0.131) 2.785 15.652 ( 3.092 10.155 -0.039) 10.615 15.957 ( -6.524 2.469 0.456) 6.990 16.756 ( 4.194 -7.699 -1.780) 8.946 17.040 ( 6.600 -13.926 -2.695) 15.645 18.500 ( -5.246 13.959 0.062) 14.912 18.934 ( 1.395 -2.132 0.479) 2.592 19.045 ( -0.131 -0.419 0.558) 0.710 19.058 ( 0.064 0.875 -1.366) 1.623 19.263 ( 2.542 0.057 3.450) 4.285 ======================= Grid point 341 (186/226) ======================= q-point: (-0.36 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( -26.102 -2.028 -4.432) 26.553 2.594 ( -5.631 -1.672 -3.756) 6.972 2.713 ( 7.945 -0.086 -6.115) 10.026 3.206 ( -3.317 -4.004 4.650) 6.976 3.530 ( 3.257 -5.228 7.158) 9.444 4.133 ( -3.301 4.534 1.793) 5.888 4.401 ( -2.210 5.060 1.003) 5.612 4.745 ( 12.072 7.358 -0.208) 14.139 4.923 ( 2.554 -1.315 -3.628) 4.627 6.045 ( -3.755 -18.930 3.272) 19.574 6.293 ( 2.506 0.090 0.853) 2.649 6.419 ( 0.347 4.663 1.028) 4.787 6.776 ( 3.573 -3.220 1.701) 5.102 6.859 ( 1.934 6.317 -2.387) 7.025 8.016 ( -3.936 -1.535 -1.786) 4.586 8.156 ( -10.066 3.989 -1.729) 10.965 9.751 ( 19.351 0.031 -0.248) 19.353 10.435 ( -11.430 0.697 0.107) 11.452 13.983 ( 6.282 0.970 0.316) 6.365 14.848 ( -11.270 1.137 0.657) 11.346 15.573 ( -3.663 -2.559 0.729) 4.528 15.787 ( 1.632 5.041 -3.372) 6.280 15.899 ( -1.397 1.464 2.662) 3.343 16.728 ( 2.517 -6.194 -5.034) 8.369 17.007 ( 3.541 -7.534 -1.460) 8.452 18.569 ( -1.679 11.252 1.361) 11.458 18.946 ( 0.922 -0.751 1.428) 1.858 19.043 ( 0.213 -0.362 0.748) 0.857 19.068 ( 0.499 1.228 -1.513) 2.011 19.312 ( 0.402 0.498 3.738) 3.792 ======================= Grid point 342 (187/226) ======================= q-point: (-0.27 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.307 -2.302 -5.646) 6.105 2.425 ( -2.475 -13.948 -5.287) 15.121 2.808 ( 0.556 7.059 -7.404) 10.245 3.166 ( 3.185 -6.766 8.926) 11.644 3.595 ( 2.285 3.660 4.157) 5.992 4.132 ( -4.638 5.245 4.885) 8.538 4.456 ( 2.486 4.882 1.213) 5.611 4.837 ( -7.706 -3.639 -3.287) 9.134 4.977 ( 6.929 4.941 -2.655) 8.915 5.732 ( -0.953 -32.700 1.501) 32.748 6.334 ( 1.879 -0.852 1.421) 2.505 6.431 ( -2.250 -0.375 0.724) 2.393 6.817 ( 0.774 1.460 2.737) 3.197 7.029 ( 0.558 21.212 -1.135) 21.250 7.926 ( -0.425 -4.485 -2.266) 5.043 8.137 ( 1.101 7.762 -1.439) 7.971 9.927 ( -1.435 -3.079 -1.736) 3.815 10.298 ( 0.297 -0.983 1.189) 1.571 14.039 ( -1.694 0.767 -0.152) 1.866 14.774 ( 1.818 0.794 1.406) 2.432 15.492 ( -1.224 -5.285 0.702) 5.470 15.733 ( -4.458 -3.284 -1.673) 5.784 15.977 ( 5.513 -0.765 1.466) 5.756 16.682 ( 0.523 -1.514 -7.615) 7.782 17.002 ( 0.506 -0.004 -0.371) 0.627 18.668 ( 0.994 8.663 1.475) 8.844 18.959 ( 0.031 0.025 1.579) 1.579 19.057 ( 1.032 0.118 1.433) 1.770 19.080 ( 0.304 0.900 -1.111) 1.462 19.311 ( -3.267 0.108 3.834) 5.038 ======================= Grid point 343 (188/226) ======================= q-point: (-0.18 -0.27 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 26.844 -4.805 -6.760) 28.096 2.201 ( -1.085 -17.885 -6.162) 18.948 2.799 ( -3.980 7.346 -6.765) 10.750 3.269 ( 8.657 -6.550 10.005) 14.763 3.725 ( 1.447 13.286 3.584) 13.837 4.107 ( -8.734 5.061 4.907) 11.224 4.517 ( -11.310 -15.573 0.840) 19.265 4.585 ( 2.488 0.706 3.683) 4.500 5.054 ( 1.653 2.536 -8.881) 9.383 5.490 ( 4.340 -22.767 -0.623) 23.185 6.351 ( 2.078 -3.291 1.506) 4.173 6.385 ( -1.361 -2.068 -0.391) 2.507 6.856 ( -0.898 4.149 3.526) 5.518 7.179 ( -8.412 22.635 -1.357) 24.186 7.901 ( 2.835 -4.357 -0.860) 5.269 8.336 ( 13.076 9.946 -1.300) 16.480 9.656 ( -19.970 -5.641 -0.691) 20.763 10.411 ( 10.066 -3.146 0.712) 10.570 13.965 ( -6.537 1.095 0.559) 6.652 14.909 ( 11.625 -0.665 0.504) 11.655 15.449 ( 2.608 -7.121 0.719) 7.618 15.596 ( -4.052 -8.106 0.061) 9.063 16.044 ( 4.972 -4.988 0.889) 7.099 16.647 ( -1.693 4.367 -8.380) 9.600 17.011 ( -2.420 5.037 -0.323) 5.597 18.779 ( 2.532 6.894 -0.201) 7.347 18.964 ( -0.412 0.245 1.491) 1.566 19.080 ( -0.507 0.313 -0.579) 0.831 19.095 ( 1.938 0.625 2.015) 2.865 19.246 ( -6.248 -0.248 4.698) 7.821 ======================= Grid point 403 (189/226) ======================= q-point: ( 0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.000 0.000 18.437) 18.437 0.975 ( -0.000 0.000 18.437) 18.437 1.840 ( -0.000 0.000 33.422) 33.422 3.633 ( 0.000 -0.000 -10.887) 10.887 3.633 ( 0.000 -0.000 -10.887) 10.887 3.982 ( 0.000 -0.000 -4.295) 4.295 4.837 ( 0.000 -0.000 -2.978) 2.978 4.905 ( -0.000 0.000 4.589) 4.589 4.905 ( -0.000 0.000 4.589) 4.589 5.698 ( -0.000 0.000 0.584) 0.584 6.038 ( -0.000 0.000 0.604) 0.604 6.038 ( -0.000 0.000 0.604) 0.604 7.245 ( -0.000 0.000 0.944) 0.944 7.819 ( 0.000 -0.000 -5.868) 5.868 8.731 ( 0.000 -0.000 -0.629) 0.629 8.731 ( 0.000 -0.000 -0.629) 0.629 8.973 ( -0.000 0.000 0.278) 0.278 8.973 ( -0.000 0.000 0.278) 0.278 14.128 ( -0.000 0.000 0.730) 0.730 14.128 ( -0.000 0.000 0.730) 0.730 14.584 ( 0.000 -0.000 -1.682) 1.682 14.584 ( 0.000 -0.000 -1.682) 1.682 15.804 ( 0.000 -0.000 -0.274) 0.274 15.804 ( 0.000 -0.000 -0.274) 0.274 17.486 ( 0.000 -0.000 -0.380) 0.380 18.858 ( -0.000 0.000 0.318) 0.318 19.028 ( -0.000 0.000 0.404) 0.404 19.028 ( -0.000 0.000 0.404) 0.404 19.121 ( -0.000 0.000 0.734) 0.734 19.666 ( 0.000 -0.000 -0.498) 0.498 ======================= Grid point 404 (190/226) ======================= q-point: ( 0.36 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 15.454 -13.843 16.983) 26.812 1.567 ( 20.400 23.678 15.283) 34.790 2.033 ( 7.498 5.641 21.477) 23.437 3.397 ( -7.994 -5.385 -5.362) 11.030 3.652 ( -3.008 4.983 -10.098) 11.655 4.030 ( 5.937 0.330 -6.176) 8.573 4.677 ( -6.756 -6.622 -1.855) 9.640 4.879 ( -8.602 6.543 2.361) 11.063 5.021 ( 7.218 -6.103 2.033) 9.669 5.354 ( -18.905 -10.465 9.881) 23.760 6.057 ( 1.008 2.988 0.841) 3.264 6.178 ( 8.663 0.709 -0.194) 8.694 7.215 ( -2.466 -0.954 0.767) 2.753 7.758 ( -2.170 -1.520 -4.857) 5.532 8.627 ( -4.745 -6.295 -0.355) 7.891 8.790 ( -8.909 -0.961 -2.106) 9.204 9.094 ( 6.808 10.965 0.231) 12.909 9.240 ( 26.941 9.711 -5.969) 29.253 14.098 ( -3.255 2.114 0.658) 3.937 14.235 ( 9.904 0.375 0.277) 9.915 14.609 ( 4.155 1.210 -1.326) 4.527 14.843 ( 16.975 11.290 -6.926) 21.530 15.809 ( 0.867 -1.486 -0.526) 1.799 16.021 ( 19.157 13.340 -4.019) 23.688 17.464 ( -1.773 -1.024 -0.320) 2.073 18.801 ( -5.835 -4.322 0.016) 7.261 19.002 ( -1.722 -1.538 0.319) 2.330 19.039 ( 0.744 0.544 0.413) 1.010 19.117 ( -0.710 -0.325 0.515) 0.935 19.578 ( -6.662 -2.444 0.040) 7.097 ======================= Grid point 405 (191/226) ======================= q-point: ( 0.45 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 16.137 -7.755 11.043) 21.036 1.898 ( 1.273 -0.760 21.191) 21.243 2.600 ( 29.522 21.053 -2.871) 36.374 3.276 ( -1.882 3.122 2.194) 4.255 3.550 ( -6.889 1.702 -7.834) 10.570 4.104 ( 2.705 3.244 -1.148) 4.377 4.502 ( -5.436 -5.372 -5.145) 9.213 4.749 ( -11.283 1.047 0.035) 11.331 4.988 ( -1.299 -8.168 3.976) 9.176 5.206 ( 1.721 -3.938 7.547) 8.685 6.135 ( 3.369 3.935 0.917) 5.261 6.307 ( 5.802 0.589 0.121) 5.833 7.161 ( -3.444 -0.616 0.048) 3.499 7.692 ( -1.021 -1.262 -3.355) 3.727 8.482 ( -2.332 -12.708 0.246) 12.923 8.504 ( -20.856 -0.821 -1.259) 20.910 9.337 ( 9.778 9.193 0.635) 13.436 9.706 ( 18.870 9.889 -5.960) 22.122 14.069 ( -3.187 2.418 0.500) 4.032 14.422 ( 10.701 0.216 -1.017) 10.751 14.756 ( 10.542 5.584 -0.058) 11.929 15.141 ( 11.271 7.384 -5.179) 14.435 15.801 ( 0.260 -1.139 -0.893) 1.470 16.571 ( 27.244 16.953 -5.022) 32.478 17.410 ( -2.688 -1.457 -0.061) 3.058 18.548 ( -14.187 -10.716 -2.093) 17.902 18.974 ( -0.574 -0.339 0.111) 0.676 19.063 ( 1.096 0.542 0.360) 1.274 19.097 ( -1.240 -0.553 0.094) 1.361 19.458 ( -5.233 -0.314 -0.507) 5.267 ======================= Grid point 406 (192/226) ======================= q-point: ( 0.55 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 9.655 -2.997 5.918) 11.715 2.011 ( 4.419 -0.204 13.255) 13.974 3.030 ( 7.811 0.527 -0.417) 7.840 3.405 ( 0.243 -3.382 -4.517) 5.648 3.542 ( 13.319 21.068 -3.599) 25.184 4.138 ( -7.788 6.973 5.768) 11.939 4.314 ( -7.239 -6.148 -7.598) 12.162 4.613 ( -1.598 -0.627 -0.505) 1.789 4.956 ( 2.152 -5.065 2.192) 5.924 5.300 ( 9.221 -0.534 5.601) 10.802 6.239 ( 4.204 2.946 0.330) 5.144 6.387 ( 3.032 1.714 -0.603) 3.535 7.079 ( -4.829 -1.597 -1.547) 5.316 7.678 ( 0.348 0.640 -0.925) 1.177 8.063 ( -21.272 -12.471 -0.241) 24.659 8.334 ( -6.409 -4.858 0.477) 8.056 9.588 ( 9.212 8.003 1.056) 12.249 10.011 ( 11.505 6.244 -3.140) 13.462 14.045 ( -2.443 1.961 0.376) 3.155 14.567 ( 7.479 0.306 -1.702) 7.676 15.050 ( 14.318 8.972 0.368) 16.901 15.344 ( 8.954 4.531 -1.681) 10.175 15.795 ( 0.685 -0.035 -1.145) 1.334 17.026 ( 8.197 4.092 1.692) 9.317 17.418 ( 5.313 3.157 5.255) 8.112 18.171 ( -12.241 -8.737 -10.151) 18.145 18.969 ( -0.148 0.070 0.002) 0.164 19.071 ( -1.167 -0.367 -0.295) 1.259 19.084 ( 0.799 -0.023 0.164) 0.816 19.389 ( -3.054 0.753 -1.322) 3.412 ======================= Grid point 407 (193/226) ======================= q-point: ( 0.64 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 4.801 -0.454 5.043) 6.978 2.197 ( 9.209 4.823 7.266) 12.683 2.975 ( -8.153 -5.872 2.714) 10.408 3.432 ( 5.196 -1.612 -4.277) 6.921 3.856 ( 3.453 5.912 -5.720) 8.921 4.033 ( -7.302 -3.342 -1.079) 8.103 4.147 ( -2.698 8.280 -1.863) 8.905 4.677 ( 6.588 0.294 0.917) 6.658 4.946 ( -0.156 -2.704 1.776) 3.239 5.603 ( 19.292 7.891 3.527) 21.140 6.318 ( 3.496 -0.248 -0.578) 3.552 6.453 ( 1.625 4.848 -1.390) 5.299 6.953 ( -5.565 -3.701 -3.514) 7.551 7.444 ( -24.888 -12.508 0.035) 27.854 7.824 ( 3.476 0.696 1.880) 4.013 8.182 ( -6.338 -5.054 1.333) 8.215 9.796 ( 6.328 5.994 1.487) 8.842 10.195 ( 6.634 3.251 -1.603) 7.560 14.030 ( -1.447 1.485 0.278) 2.091 14.671 ( 5.292 0.705 -1.485) 5.541 15.351 ( 9.314 9.205 -0.446) 13.103 15.532 ( 9.761 2.546 1.446) 10.191 15.823 ( 2.973 1.237 -1.203) 3.437 16.980 ( -7.424 -4.847 1.391) 8.975 17.432 ( -13.202 -9.712 12.539) 20.636 18.113 ( 14.290 8.808 -12.670) 21.031 18.968 ( -0.102 0.108 -0.155) 0.215 19.053 ( -0.497 0.017 -0.442) 0.665 19.089 ( 0.474 -0.934 -0.231) 1.073 19.350 ( -1.946 1.238 -1.937) 3.012 ======================= Grid point 408 (194/226) ======================= q-point: (-0.27 0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 1.641 1.088 5.948) 6.265 2.453 ( 7.999 7.967 2.836) 11.641 2.775 ( -7.589 -8.350 7.027) 13.292 3.365 ( -5.082 -5.342 -7.096) 10.233 3.704 ( -8.207 -5.699 -8.289) 12.983 4.029 ( 3.068 6.064 0.519) 6.816 4.307 ( 8.025 6.100 -0.716) 10.106 4.796 ( 5.372 0.161 3.415) 6.368 4.928 ( -0.086 -0.802 0.577) 0.992 6.017 ( 11.441 9.290 -0.894) 14.765 6.345 ( 1.565 -2.461 -0.684) 2.996 6.457 ( -6.732 0.784 -3.608) 7.678 6.816 ( -0.932 -2.651 -2.037) 3.471 6.953 ( -14.385 -8.873 1.484) 16.967 7.947 ( 5.146 2.424 2.117) 6.069 8.053 ( -3.812 -3.137 2.209) 5.409 9.918 ( 1.794 3.111 1.763) 4.001 10.286 ( 2.767 0.919 -1.085) 3.111 14.028 ( -0.586 1.416 0.217) 1.548 14.742 ( 3.378 0.253 -1.302) 3.629 15.507 ( 1.615 4.875 -0.416) 5.152 15.702 ( 4.331 3.167 2.270) 5.826 15.914 ( 7.208 -0.237 -0.792) 7.256 16.793 ( -8.908 -5.427 3.227) 10.919 17.132 ( -11.782 -7.992 3.514) 14.664 18.432 ( 14.127 8.156 -2.578) 16.515 18.965 ( -0.112 0.091 -0.659) 0.675 19.051 ( 0.356 0.393 -0.596) 0.798 19.081 ( 0.364 -1.707 -0.381) 1.787 19.327 ( -1.394 1.996 -2.701) 3.636 ======================= Grid point 415 (195/226) ======================= q-point: ( 0.36 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -22.740 11.056 14.648) 29.222 1.578 ( 16.417 30.529 11.593) 36.550 2.136 ( -0.420 2.955 20.760) 20.974 3.383 ( -0.877 -7.974 -5.745) 9.867 3.557 ( 4.909 -3.346 -7.063) 9.229 4.037 ( -1.545 8.690 -7.348) 11.485 4.666 ( -2.515 -10.522 -2.593) 11.125 4.846 ( 6.377 -7.500 3.991) 10.623 5.074 ( -5.179 6.535 0.867) 8.384 5.400 ( 0.493 -20.060 8.497) 21.791 6.068 ( 2.548 2.372 0.698) 3.550 6.157 ( -4.064 6.847 -0.517) 7.979 7.215 ( 0.408 -3.287 0.813) 3.411 7.740 ( -0.231 -1.577 -4.656) 4.921 8.643 ( -5.362 -6.242 -0.621) 8.252 8.755 ( 6.877 -8.824 -1.254) 11.257 9.119 ( 5.610 12.446 0.005) 13.652 9.202 ( -5.784 25.967 -4.660) 27.009 14.119 ( 4.470 -0.955 0.520) 4.600 14.219 ( -5.459 7.871 0.333) 9.585 14.620 ( -1.658 4.980 -1.546) 5.472 14.792 ( 1.923 18.280 -5.086) 19.072 15.787 ( -1.313 -0.828 -0.071) 1.554 16.029 ( 1.510 23.087 -3.396) 23.384 17.462 ( 0.001 -2.116 -0.286) 2.135 18.802 ( -0.648 -7.167 -0.002) 7.197 19.005 ( -0.365 -1.770 0.180) 1.817 19.043 ( -0.010 0.940 0.345) 1.001 19.122 ( 0.081 -0.526 0.413) 0.674 19.571 ( 1.008 -7.955 0.201) 8.021 ======================= Grid point 416 (196/226) ======================= q-point: ( 0.45 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 1.786 13.375 15.860) 20.823 1.996 ( 0.173 0.075 20.621) 20.622 2.407 ( 15.618 24.990 -4.650) 29.834 3.300 ( 0.829 -1.317 0.948) 1.823 3.564 ( 1.248 -2.426 -8.289) 8.726 4.090 ( 2.145 8.880 -3.317) 9.719 4.484 ( -4.162 -10.113 -3.671) 11.535 4.842 ( 0.016 -10.409 0.112) 10.409 5.008 ( -7.293 1.533 2.346) 7.813 5.230 ( -4.284 -8.756 9.740) 13.780 6.142 ( 2.108 4.357 0.122) 4.842 6.222 ( 4.207 3.489 0.838) 5.530 7.181 ( -1.032 -3.123 0.088) 3.290 7.690 ( -1.322 -0.380 -3.353) 3.625 8.393 ( -7.906 -14.521 0.327) 16.537 8.870 ( -2.228 1.055 -2.219) 3.317 9.082 ( 3.004 2.026 -0.495) 3.657 9.626 ( 13.711 24.113 -4.225) 28.059 14.102 ( -2.261 -2.064 -1.098) 3.252 14.363 ( 7.270 12.101 1.758) 14.226 14.663 ( 3.170 4.911 -0.799) 5.900 15.049 ( 8.769 14.371 -4.655) 17.467 15.775 ( 0.580 -1.128 0.002) 1.268 16.408 ( 14.803 28.513 -4.769) 32.479 17.424 ( -1.415 -2.642 -0.164) 3.001 18.617 ( -8.861 -14.650 -0.151) 17.122 18.983 ( -0.667 -0.430 0.045) 0.795 19.057 ( 0.491 0.547 0.425) 0.849 19.111 ( -0.854 -0.343 -0.042) 0.921 19.490 ( -1.875 -5.367 -0.764) 5.736 ======================= Grid point 417 (197/226) ======================= q-point: ( 0.55 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( 3.555 18.948 12.917) 23.206 2.036 ( 0.038 -1.083 12.937) 12.982 2.816 ( 14.657 6.969 -4.034) 16.723 3.392 ( -0.595 -2.083 -1.459) 2.612 3.523 ( 5.544 11.227 -6.870) 14.282 4.230 ( 2.999 4.352 -2.114) 5.692 4.319 ( -2.023 -3.968 -2.029) 4.895 4.662 ( -8.293 -6.965 -3.729) 11.454 4.921 ( -2.235 -3.847 4.640) 6.429 5.235 ( 3.185 0.207 9.093) 9.636 6.225 ( 1.940 3.998 0.596) 4.484 6.324 ( 5.166 1.364 -0.365) 5.355 7.111 ( -3.129 -3.862 -1.793) 5.284 7.680 ( 0.529 2.176 -0.939) 2.428 8.090 ( -9.223 -20.051 0.658) 22.080 8.668 ( -20.939 9.845 -1.430) 23.182 9.288 ( 19.854 -8.604 -0.059) 21.638 10.001 ( 7.954 19.090 -2.679) 20.853 14.042 ( -0.446 -4.061 -1.308) 4.290 14.583 ( 0.739 15.141 0.922) 15.187 14.865 ( 15.581 5.113 0.708) 16.414 15.277 ( 6.296 10.473 -2.786) 12.533 15.780 ( 0.900 -0.024 -0.283) 0.944 16.917 ( 14.739 17.268 -0.019) 22.702 17.397 ( 1.801 1.994 0.978) 2.860 18.253 ( -13.946 -16.333 -3.464) 21.755 18.975 ( -0.313 0.193 -0.066) 0.374 19.066 ( 0.315 -1.147 0.706) 1.383 19.093 ( -1.042 0.713 -0.770) 1.479 19.414 ( -1.772 -2.633 -1.842) 3.669 ======================= Grid point 418 (198/226) ======================= q-point: ( 0.64 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -4.318 23.687 9.763) 25.981 2.152 ( 5.848 4.403 7.465) 10.456 3.016 ( 2.592 -3.222 3.342) 5.317 3.277 ( 3.121 -4.074 -4.539) 6.851 3.755 ( 7.271 4.626 -9.537) 12.854 4.105 ( -5.078 -1.924 -6.012) 8.101 4.363 ( -10.041 7.992 2.046) 12.995 4.515 ( 7.211 -6.729 -3.925) 10.615 4.912 ( 1.834 -4.106 5.206) 6.880 5.441 ( 12.117 8.609 7.718) 16.749 6.272 ( 1.457 0.003 0.324) 1.492 6.433 ( 5.023 4.231 -1.661) 6.774 6.984 ( -5.166 -4.920 -3.580) 7.982 7.609 ( -12.858 -17.862 0.638) 22.018 7.814 ( -0.359 0.846 0.737) 1.178 8.417 ( -18.237 7.931 0.346) 19.890 9.522 ( 18.641 -10.829 0.305) 21.561 10.244 ( 2.647 15.288 -1.239) 15.565 13.999 ( 1.343 -5.222 -1.074) 5.498 14.714 ( -1.326 13.395 0.412) 13.466 15.221 ( 16.915 7.776 1.068) 18.647 15.442 ( 4.870 6.991 -1.115) 8.593 15.808 ( 1.324 2.503 -0.609) 2.896 17.035 ( -3.890 -4.306 1.320) 5.951 17.566 ( -2.795 -5.475 15.798) 16.952 17.953 ( 3.861 5.037 -15.526) 16.773 18.972 ( -0.256 0.195 -0.144) 0.353 19.055 ( -0.214 -1.194 0.450) 1.294 19.081 ( -0.600 -0.023 -0.790) 0.992 19.361 ( -0.950 -1.476 -2.469) 3.029 ======================= Grid point 419 (199/226) ======================= q-point: ( 0.73 0.36 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -9.582 25.303 7.887) 28.183 2.387 ( 10.414 8.755 4.248) 14.253 2.860 ( -9.442 -9.380 4.976) 14.209 3.338 ( 1.028 -2.847 -6.058) 6.772 3.684 ( -2.134 -6.798 -10.677) 12.836 4.074 ( -1.417 4.181 0.830) 4.492 4.308 ( -0.741 6.991 -1.405) 7.169 4.614 ( 10.522 -5.206 -1.650) 11.855 4.925 ( 1.137 -3.853 4.737) 6.211 5.847 ( 18.439 12.247 2.946) 22.331 6.289 ( 1.774 -1.867 -0.293) 2.592 6.524 ( 0.046 3.293 -3.086) 4.513 6.819 ( -5.258 -5.080 -3.790) 8.235 7.119 ( -18.736 -18.814 1.914) 26.621 7.921 ( 4.216 6.898 0.807) 8.125 8.223 ( -13.268 5.663 2.301) 14.608 9.689 ( 14.765 -13.484 0.431) 20.001 10.382 ( -1.502 12.527 -0.422) 12.623 13.978 ( 2.876 -5.458 -0.657) 6.204 14.804 ( -2.810 11.989 0.023) 12.314 15.524 ( 5.483 8.430 -0.364) 10.063 15.594 ( 10.694 2.183 1.848) 11.070 15.860 ( 1.266 3.952 -1.309) 4.351 16.880 ( -7.184 -6.934 1.826) 10.150 17.271 ( -14.486 -14.451 5.624) 21.220 18.268 ( 15.537 13.234 -3.280) 20.671 18.965 ( -0.386 -0.299 -0.577) 0.755 19.048 ( 0.126 -0.198 0.063) 0.243 19.063 ( -0.329 -1.194 -0.197) 1.254 19.328 ( -0.033 -0.885 -3.035) 3.162 ======================= Grid point 426 (200/226) ======================= q-point: ( 0.36 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 3.334 21.134 2.973) 21.601 1.875 ( -16.378 9.830 16.132) 25.002 2.340 ( -10.247 16.185 6.408) 20.199 3.265 ( 2.722 -5.884 0.511) 6.503 3.455 ( -0.251 -4.183 -4.795) 6.368 4.084 ( 0.060 3.195 -3.634) 4.839 4.541 ( 3.651 -6.408 -5.149) 8.995 4.710 ( 2.905 -10.740 4.224) 11.901 5.123 ( 4.383 -1.148 0.356) 4.545 5.279 ( 0.376 -1.102 6.342) 6.448 6.099 ( -1.885 3.510 1.454) 4.241 6.286 ( -4.063 4.005 -1.053) 5.801 7.160 ( 1.713 -4.511 0.545) 4.856 7.702 ( 1.048 0.336 -3.609) 3.773 8.415 ( 9.168 -14.305 -0.381) 16.995 8.837 ( -4.055 -1.990 -1.149) 4.661 9.047 ( 2.659 5.279 0.610) 5.942 9.634 ( -13.621 22.222 -4.108) 26.387 14.038 ( 2.705 -3.007 0.935) 4.151 14.457 ( -9.011 13.582 -1.076) 16.335 14.686 ( -1.629 6.398 -1.431) 6.755 15.015 ( -9.442 12.609 -4.066) 16.269 15.801 ( -0.757 -0.587 -0.825) 1.264 16.382 ( -14.779 28.742 -4.031) 32.570 17.423 ( 1.492 -2.803 -0.143) 3.179 18.652 ( 7.692 -12.461 -1.868) 14.762 18.985 ( 0.816 -0.807 -0.015) 1.148 19.061 ( -0.550 1.169 0.335) 1.335 19.107 ( 0.954 -0.881 0.083) 1.301 19.451 ( 2.965 -7.438 1.163) 8.091 ======================= Grid point 427 (201/226) ======================= q-point: ( 0.45 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -12.888 9.933 4.380) 16.851 2.074 ( 2.263 1.854 15.200) 15.479 2.536 ( 2.182 32.023 -2.554) 32.199 3.250 ( 2.179 -3.803 2.192) 4.901 3.453 ( 3.680 -0.310 -3.698) 5.226 4.124 ( 2.471 4.018 -1.746) 5.030 4.433 ( -4.057 -8.702 -3.999) 10.401 4.695 ( 4.602 -10.496 2.956) 11.836 5.107 ( -2.676 -3.630 -1.146) 4.653 5.268 ( -3.139 -1.068 6.131) 6.970 6.145 ( 1.172 4.512 0.965) 4.760 6.265 ( -1.913 4.107 0.483) 4.556 7.139 ( 1.124 -5.256 0.513) 5.399 7.692 ( -0.663 1.011 -3.232) 3.451 8.453 ( -10.012 -17.708 0.533) 20.349 8.527 ( 11.618 -7.897 -1.213) 14.100 9.371 ( -0.723 13.596 -0.423) 13.622 9.643 ( 0.681 21.809 -3.443) 22.090 14.097 ( 2.833 -1.438 -0.208) 3.184 14.402 ( -3.247 9.698 -0.565) 10.243 14.763 ( -2.652 11.408 -0.349) 11.717 15.078 ( 2.634 15.134 -2.666) 15.591 15.774 ( -1.052 -0.408 0.062) 1.130 16.563 ( 0.706 33.268 -3.725) 33.483 17.406 ( 0.095 -2.923 0.007) 2.924 18.544 ( -1.476 -18.421 -1.789) 18.567 18.983 ( 0.048 -0.633 -0.170) 0.657 19.061 ( -0.372 0.186 0.381) 0.564 19.114 ( 0.372 -0.031 -0.494) 0.619 19.426 ( 1.518 -6.660 0.880) 6.887 ======================= Grid point 428 (202/226) ======================= q-point: ( 0.55 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 10.557 13.610 7.612) 18.831 2.106 ( -2.179 -1.022 10.155) 10.437 2.802 ( -1.274 18.677 -2.642) 18.906 3.340 ( 5.390 0.966 1.417) 5.657 3.489 ( 3.151 5.483 -7.734) 9.990 4.226 ( 2.446 4.051 -0.983) 4.833 4.252 ( -1.374 -10.081 -1.193) 10.244 4.661 ( -0.517 -5.060 -1.683) 5.358 4.988 ( -6.040 -3.386 1.124) 7.015 5.267 ( -0.229 2.433 7.898) 8.267 6.229 ( 3.307 4.987 -0.566) 6.010 6.291 ( -0.028 1.765 1.923) 2.610 7.092 ( -0.813 -5.577 -0.620) 5.670 7.687 ( 0.027 1.832 -1.828) 2.588 8.087 ( -11.218 -17.347 0.630) 20.668 8.715 ( 17.973 -11.118 -1.171) 21.166 9.255 ( -18.740 12.611 -1.330) 22.628 9.996 ( 12.388 16.860 -1.725) 20.993 14.038 ( -4.208 -2.380 -2.153) 5.293 14.620 ( 14.661 9.149 1.493) 17.345 14.820 ( -4.101 13.387 0.906) 14.030 15.290 ( 5.314 13.833 -2.312) 14.997 15.767 ( 0.444 0.058 0.453) 0.637 16.924 ( 7.087 22.492 -0.472) 23.587 17.400 ( 1.299 3.556 0.728) 3.855 18.250 ( -8.458 -21.019 -2.887) 22.840 18.978 ( -0.032 -0.181 -0.203) 0.274 19.056 ( -0.085 -1.003 0.528) 1.137 19.112 ( -0.627 0.734 -0.939) 1.347 19.384 ( 0.000 -4.470 -0.612) 4.512 ======================= Grid point 429 (203/226) ======================= q-point: ( 0.64 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 11.675 19.038 8.068) 23.745 2.159 ( 1.954 5.848 6.978) 9.312 2.915 ( 4.053 6.360 1.310) 7.655 3.272 ( -7.245 -5.075 -1.235) 8.931 3.639 ( 6.106 5.148 -8.806) 11.888 4.120 ( -1.638 -0.211 -5.912) 6.138 4.302 ( 5.491 -9.341 -2.872) 11.209 4.581 ( -6.692 5.559 -2.075) 8.944 4.892 ( -2.244 -4.884 5.825) 7.926 5.419 ( 6.709 9.161 8.951) 14.459 6.278 ( -1.230 0.589 1.339) 1.912 6.367 ( 5.842 4.147 -1.602) 7.341 6.994 ( -3.582 -5.568 -2.055) 6.932 7.603 ( -7.926 -17.197 0.330) 18.939 7.846 ( -1.616 1.078 -0.077) 1.944 8.786 ( -6.504 0.165 -0.361) 6.517 9.146 ( 4.478 -2.008 -1.018) 5.012 10.300 ( 7.239 13.197 -0.944) 15.082 13.942 ( -2.021 -3.940 -1.949) 4.838 14.896 ( -0.306 10.632 0.966) 10.680 15.005 ( 15.578 11.913 1.819) 19.696 15.464 ( 2.516 10.380 -2.092) 10.884 15.805 ( 2.277 2.988 0.244) 3.765 17.052 ( -2.034 -3.319 1.108) 4.047 17.611 ( 4.275 5.596 13.865) 15.551 17.900 ( -4.553 -5.456 -13.529) 15.282 18.975 ( -0.077 -0.133 -0.121) 0.196 19.046 ( -0.045 -1.249 0.595) 1.384 19.096 ( -1.269 0.367 -0.980) 1.645 19.337 ( -0.455 -3.184 -1.836) 3.704 ======================= Grid point 430 (204/226) ======================= q-point: ( 0.73 0.45 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 4.819 6.946 1.775) 8.639 2.442 ( 0.108 26.113 10.306) 28.074 2.983 ( -10.596 -3.162 4.788) 12.050 3.192 ( 10.762 0.721 -4.344) 11.628 3.608 ( -2.883 -3.959 -8.408) 9.731 4.105 ( -0.009 -2.230 -2.005) 2.999 4.275 ( 6.094 -1.220 -10.461) 12.168 4.540 ( -4.398 4.415 2.089) 6.573 4.862 ( 1.685 -7.892 6.855) 10.588 5.728 ( 12.206 12.153 5.671) 18.134 6.264 ( -0.530 -0.767 0.453) 1.037 6.493 ( 5.035 3.272 -2.610) 6.547 6.850 ( -5.959 -4.939 -2.990) 8.297 7.207 ( -13.791 -21.138 1.869) 25.308 7.933 ( 3.495 8.158 -0.473) 8.887 8.589 ( -18.278 8.062 1.492) 20.033 9.271 ( 16.471 -13.742 -0.926) 21.471 10.490 ( 2.414 10.455 -0.364) 10.736 13.880 ( 0.823 -4.931 -1.293) 5.164 14.994 ( -2.499 12.895 1.164) 13.186 15.375 ( 15.565 7.359 0.847) 17.238 15.566 ( 1.848 6.017 -1.121) 6.393 15.890 ( 1.537 6.639 -0.583) 6.839 16.922 ( -5.734 -7.944 0.845) 9.834 17.373 ( -13.269 -19.307 5.863) 24.150 18.156 ( 13.760 18.475 -2.684) 23.192 18.967 ( -0.592 -0.781 -0.089) 0.984 19.041 ( 0.285 -0.581 0.668) 0.930 19.070 ( -1.308 -0.289 -0.570) 1.456 19.292 ( 0.067 -2.772 -2.805) 3.944 ======================= Grid point 437 (205/226) ======================= q-point: ( 0.36 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 7.465 23.510 0.902) 24.684 2.100 ( -1.191 3.142 10.244) 10.781 2.857 ( -23.358 12.081 -5.459) 26.858 3.241 ( -6.227 -4.417 6.453) 9.997 3.433 ( -0.105 3.985 -3.402) 5.241 4.060 ( 0.422 -7.541 4.354) 8.718 4.390 ( 7.174 -4.025 -4.192) 9.232 4.596 ( 0.143 -5.603 1.504) 5.803 5.047 ( 3.423 1.271 -1.575) 3.977 5.345 ( -1.933 6.271 2.253) 6.938 6.196 ( -3.825 4.402 1.317) 5.979 6.350 ( -2.208 0.360 -1.471) 2.678 7.081 ( 2.161 -5.312 0.037) 5.735 7.686 ( 0.841 1.982 -1.746) 2.772 8.096 ( 9.511 -19.447 0.020) 21.648 8.688 ( 19.955 10.579 0.438) 22.590 9.231 ( -20.443 -9.544 0.133) 22.561 10.000 ( -8.387 17.937 -1.913) 19.893 13.984 ( -0.120 -4.854 1.102) 4.979 14.673 ( 1.874 16.786 -1.755) 16.982 14.863 ( -14.577 5.374 -1.343) 15.594 15.261 ( -9.029 8.837 -0.907) 12.666 15.797 ( 0.144 0.533 -1.368) 1.475 16.918 ( -16.115 19.107 -0.175) 24.996 17.390 ( -1.750 1.417 1.183) 2.543 18.296 ( 15.108 -14.937 -5.930) 22.057 18.972 ( 0.317 -0.033 0.113) 0.338 19.073 ( 0.914 -0.288 -0.449) 1.058 19.088 ( -0.411 -0.067 0.544) 0.685 19.365 ( 1.202 -4.659 0.817) 4.880 ======================= Grid point 438 (206/226) ======================= q-point: ( 0.45 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -18.846 10.139 -7.431) 22.653 2.116 ( 1.142 2.534 7.856) 8.333 2.794 ( 0.397 23.380 -2.242) 23.491 3.201 ( 0.985 -5.053 7.435) 9.043 3.467 ( -1.826 8.902 -1.241) 9.172 4.049 ( 3.814 -6.835 4.723) 9.142 4.429 ( 0.044 1.195 -4.602) 4.755 4.529 ( 2.388 -11.963 4.442) 12.983 5.070 ( 1.191 -1.235 -4.218) 4.554 5.363 ( -3.427 5.129 0.799) 6.220 6.211 ( -1.931 5.785 1.787) 6.355 6.318 ( -1.044 0.943 -0.481) 1.487 7.059 ( 1.848 -6.573 1.083) 6.913 7.706 ( -0.360 2.798 -2.316) 3.650 8.099 ( 12.513 -18.564 0.144) 22.387 8.657 ( -18.354 -11.317 -0.726) 21.575 9.279 ( 19.205 13.589 0.374) 23.530 9.981 ( -12.647 16.251 -1.313) 20.635 14.001 ( 5.236 -1.922 1.092) 5.683 14.646 ( -14.669 7.125 -2.761) 16.540 14.895 ( 2.859 16.628 -0.933) 16.898 15.224 ( -5.201 10.772 0.228) 11.964 15.790 ( -0.890 0.446 -0.859) 1.315 16.927 ( -7.694 24.294 -0.646) 25.491 17.393 ( -0.937 3.104 1.083) 3.418 18.284 ( 7.273 -20.962 -5.503) 22.860 18.975 ( 0.113 -0.294 -0.034) 0.317 19.073 ( -0.865 -0.700 0.431) 1.194 19.092 ( 1.567 0.058 -0.881) 1.799 19.353 ( 1.455 -4.397 2.348) 5.192 ======================= Grid point 439 (207/226) ======================= q-point: ( 0.55 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -4.631 6.119 -4.258) 8.776 2.165 ( -0.627 1.517 4.090) 4.407 3.022 ( -1.179 12.765 -0.096) 12.820 3.265 ( 6.549 1.836 3.896) 7.838 3.526 ( -2.197 12.763 -3.280) 13.360 4.085 ( 5.831 -10.350 6.813) 13.694 4.303 ( -7.931 -2.702 -4.538) 9.528 4.582 ( 6.611 -0.288 1.494) 6.784 5.029 ( -2.225 -1.585 -2.878) 3.968 5.362 ( -2.863 6.696 2.338) 7.649 6.246 ( -0.009 4.830 0.166) 4.833 6.333 ( -0.641 2.291 2.202) 3.242 7.027 ( 1.309 -6.991 1.207) 7.214 7.706 ( -1.300 2.018 -2.443) 3.425 8.046 ( -0.484 -23.108 0.830) 23.128 8.373 ( 2.859 -7.261 -1.794) 8.007 9.621 ( -2.161 12.453 -0.908) 12.672 9.968 ( 1.423 13.898 -0.458) 13.978 14.063 ( 0.599 -1.377 -0.656) 1.638 14.552 ( -0.170 6.673 -0.894) 6.735 15.044 ( -3.653 15.986 0.843) 16.420 15.334 ( 3.851 13.248 -0.954) 13.829 15.775 ( -0.820 0.514 0.111) 0.974 17.050 ( -0.326 9.385 0.002) 9.391 17.473 ( 0.141 16.314 2.955) 16.580 18.091 ( -0.680 -23.069 -6.010) 23.849 18.972 ( 0.098 -0.381 -0.133) 0.416 19.055 ( -0.555 -0.936 0.426) 1.169 19.110 ( 0.889 0.251 -1.309) 1.602 19.342 ( 0.366 -3.522 1.827) 3.985 ======================= Grid point 440 (208/226) ======================= q-point: ( 0.64 0.55 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 21.461 6.949 -0.488) 22.564 2.209 ( 1.061 5.051 2.703) 5.826 3.024 ( -4.060 2.454 0.025) 4.744 3.355 ( -2.313 -0.913 5.103) 5.677 3.627 ( -0.196 14.129 -4.656) 14.878 4.074 ( 2.467 -11.238 4.245) 12.264 4.161 ( -1.393 -1.542 -8.202) 8.462 4.679 ( 0.067 6.341 -2.300) 6.745 4.941 ( -4.861 -3.398 2.115) 6.297 5.473 ( 3.124 12.194 6.023) 13.954 6.315 ( 1.716 3.555 -0.094) 3.949 6.340 ( -0.962 2.280 1.625) 2.960 6.970 ( -0.883 -6.639 0.633) 6.728 7.569 ( -8.211 -18.155 -0.835) 19.943 7.868 ( -0.092 0.125 -0.934) 0.947 8.478 ( 16.905 -11.577 -1.518) 20.545 9.480 ( -20.875 11.074 -0.932) 23.649 10.245 ( 11.731 10.178 -0.390) 15.535 13.979 ( -5.932 -1.542 -1.840) 6.400 14.747 ( 13.645 4.536 0.789) 14.401 15.144 ( -2.315 15.873 1.719) 16.133 15.518 ( 2.691 11.370 -2.531) 11.955 15.797 ( 2.170 3.041 0.802) 3.821 17.048 ( -1.632 -5.226 0.285) 5.482 17.687 ( -2.188 -6.964 15.827) 17.429 17.845 ( 1.472 8.678 -15.937) 18.206 18.970 ( 0.193 -0.430 -0.027) 0.473 19.042 ( -0.305 -0.749 0.438) 0.920 19.111 ( -0.342 0.150 -1.060) 1.124 19.311 ( -0.939 -3.003 0.355) 3.167 ======================= Grid point 441 (209/226) ======================= q-point: (-0.27 -0.45 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 6.624 6.432 -1.968) 9.441 2.437 ( 23.276 7.424 4.889) 24.915 3.006 ( 3.276 0.491 -1.630) 3.692 3.245 ( -10.682 -1.655 5.141) 11.970 3.676 ( -5.498 9.348 -2.506) 11.131 3.998 ( 0.280 -12.865 -0.588) 12.882 4.182 ( 4.850 9.443 -9.443) 14.208 4.675 ( -5.020 4.419 -1.908) 6.954 4.837 ( -3.926 -7.023 6.716) 10.480 5.720 ( 6.588 13.033 5.464) 15.592 6.298 ( -3.003 0.263 1.559) 3.394 6.425 ( 4.534 2.970 -1.880) 5.737 6.880 ( -3.521 -4.650 -0.056) 5.833 7.200 ( -9.778 -21.715 0.076) 23.815 7.946 ( 3.610 7.543 -1.534) 8.502 8.639 ( 15.261 -11.561 -0.684) 19.158 9.217 ( -19.076 6.801 -0.392) 20.256 10.491 ( 7.483 7.358 -0.409) 10.502 13.865 ( -4.000 -2.151 -1.256) 4.712 15.017 ( 11.512 3.931 1.133) 12.218 15.308 ( 3.866 13.770 0.975) 14.335 15.598 ( -0.139 5.213 -1.790) 5.513 15.916 ( 3.848 8.398 -0.375) 9.245 16.927 ( -4.216 -8.810 -0.148) 9.768 17.386 ( -9.257 -21.788 2.831) 23.842 18.153 ( 8.885 21.839 -0.316) 23.579 18.967 ( -0.188 -0.682 0.368) 0.797 19.037 ( 0.084 -0.138 0.482) 0.508 19.092 ( -1.510 -0.015 -0.038) 1.510 19.258 ( -1.231 -3.237 -1.479) 3.766 ======================= Grid point 448 (210/226) ======================= q-point: ( 0.36 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( 8.140 24.041 0.768) 25.393 2.196 ( -1.864 6.100 4.679) 7.911 3.023 ( 0.415 -3.800 0.084) 3.823 3.418 ( -4.548 -1.220 -3.428) 5.825 3.608 ( -17.402 7.069 -1.973) 18.886 4.012 ( -1.872 -5.475 9.700) 11.295 4.157 ( 10.962 -6.443 -4.928) 13.637 4.646 ( -5.122 1.907 2.143) 5.870 4.983 ( 3.011 -1.847 -3.202) 4.767 5.520 ( -8.667 11.495 -0.355) 14.401 6.308 ( -3.197 4.505 0.537) 5.550 6.370 ( -2.500 -1.799 -1.990) 3.667 6.984 ( 3.405 -4.808 -1.101) 5.994 7.566 ( 12.580 -15.751 -0.588) 20.167 7.847 ( 0.774 -1.030 1.869) 2.270 8.457 ( 18.988 9.211 1.154) 21.136 9.470 ( -19.764 -12.111 0.347) 23.182 10.246 ( -3.101 14.633 -0.449) 14.965 13.956 ( -2.005 -5.809 1.105) 6.244 14.765 ( 2.984 14.011 -1.511) 14.405 15.169 ( -14.133 6.238 -1.571) 15.528 15.484 ( -7.877 7.146 1.902) 10.804 15.812 ( -1.362 3.157 -1.230) 3.652 17.047 ( 4.271 -3.867 0.389) 5.774 17.608 ( 1.159 -1.080 15.331) 15.413 17.938 ( -1.858 2.409 -17.490) 17.753 18.970 ( 0.244 0.134 0.036) 0.281 19.049 ( 0.525 -0.669 -0.530) 1.002 19.100 ( -0.291 0.269 0.335) 0.519 19.315 ( 0.514 -3.613 -0.128) 3.652 ======================= Grid point 449 (211/226) ======================= q-point: ( 0.45 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -0.080 12.586 -0.134) 12.587 2.259 ( -8.536 13.554 -6.459) 17.271 2.952 ( -3.712 6.910 -3.614) 8.636 3.211 ( -6.172 -7.377 6.600) 11.666 3.573 ( 0.270 5.813 0.000) 5.819 4.008 ( -1.780 -0.227 8.997) 9.175 4.259 ( 11.070 -7.751 2.382) 13.722 4.563 ( -6.808 -0.280 0.635) 6.843 4.991 ( 3.711 -2.190 -7.137) 8.337 5.507 ( -5.511 10.964 -2.826) 12.593 6.299 ( -1.925 0.155 -1.357) 2.361 6.340 ( -0.858 4.920 1.837) 5.321 6.969 ( 1.791 -6.754 1.251) 7.098 7.615 ( 11.531 -14.978 -1.176) 18.940 7.839 ( -0.861 -1.063 0.831) 1.601 8.788 ( -2.397 -4.286 -0.504) 4.937 9.131 ( 3.881 2.710 0.887) 4.816 10.292 ( -7.769 12.851 0.018) 15.017 13.916 ( 2.499 -3.370 1.401) 4.423 14.916 ( -7.249 5.901 -1.719) 9.504 15.035 ( -4.076 18.033 -2.052) 18.601 15.432 ( -7.459 7.417 2.136) 10.734 15.814 ( -1.441 2.912 -1.090) 3.427 17.063 ( 2.113 -3.429 -0.395) 4.047 17.648 ( -8.703 13.512 11.975) 20.042 17.891 ( 8.668 -12.153 -15.217) 21.316 18.973 ( 0.004 -0.052 0.106) 0.118 19.055 ( 1.161 -0.677 -0.558) 1.455 19.088 ( -0.801 -0.654 0.180) 1.050 19.307 ( 1.551 -2.901 2.224) 3.971 ======================= Grid point 450 (212/226) ======================= q-point: ( 0.55 0.64 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -24.638 6.550 -9.940) 27.364 2.220 ( -1.017 6.803 -1.466) 7.033 3.058 ( 2.390 0.948 -1.672) 3.067 3.202 ( 6.013 2.831 5.352) 8.533 3.655 ( 2.464 4.232 3.230) 5.866 4.008 ( -2.449 -0.984 6.857) 7.347 4.363 ( -2.132 -7.942 2.174) 8.506 4.481 ( 4.968 5.436 0.410) 7.376 4.998 ( 2.408 -0.810 -6.229) 6.728 5.521 ( -4.506 13.437 -2.708) 14.429 6.281 ( 0.266 0.801 -0.789) 1.155 6.397 ( -1.316 5.999 3.062) 6.862 6.936 ( 1.782 -7.727 2.605) 8.347 7.624 ( 9.033 -20.435 -1.160) 22.372 7.823 ( -0.553 0.928 -0.477) 1.181 8.431 ( -15.349 -10.599 -1.496) 18.713 9.524 ( 19.780 10.987 0.038) 22.626 10.233 ( -12.154 10.229 0.226) 15.887 13.983 ( 6.131 -1.126 1.016) 6.316 14.731 ( -12.974 4.883 -1.930) 13.996 15.236 ( 0.842 18.194 -0.848) 18.233 15.425 ( -2.282 8.919 1.155) 9.279 15.806 ( -1.806 1.955 -0.357) 2.686 17.049 ( 1.593 -5.538 -0.657) 5.800 17.723 ( 0.076 -5.383 14.388) 15.362 17.819 ( 0.160 7.499 -17.226) 18.788 18.970 ( -0.198 -0.299 0.138) 0.385 19.056 ( -0.186 -0.938 0.256) 0.990 19.082 ( 1.140 -0.438 -0.853) 1.490 19.320 ( 0.885 -1.991 3.045) 3.744 ======================= Grid point 451 (213/226) ======================= q-point: (-0.36 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -0.988 3.999 -6.179) 7.427 2.271 ( -0.610 8.988 -2.430) 9.331 3.017 ( 0.475 -7.497 -2.859) 8.038 3.362 ( 3.372 1.471 5.350) 6.492 3.755 ( 2.245 1.444 6.328) 6.868 3.980 ( -2.164 -2.440 4.738) 5.752 4.195 ( -6.169 0.441 -6.046) 8.649 4.685 ( 6.244 7.027 -0.082) 9.401 4.975 ( -1.512 -1.696 -2.292) 3.228 5.624 ( -0.994 18.795 0.976) 18.846 6.315 ( 1.874 2.394 -0.057) 3.041 6.420 ( -3.318 3.524 2.888) 5.636 6.903 ( 1.365 -7.565 2.866) 8.204 7.453 ( -1.546 -26.740 -1.078) 26.806 7.851 ( 1.779 4.068 -1.572) 4.710 8.209 ( 1.132 -7.587 -2.130) 7.961 9.818 ( -2.215 8.715 -1.423) 9.104 10.176 ( 1.040 7.665 0.832) 7.780 14.036 ( -0.919 -0.679 -0.541) 1.264 14.657 ( 1.030 4.741 0.311) 4.861 15.340 ( -4.056 12.446 0.930) 13.123 15.562 ( 3.806 11.451 -2.472) 12.318 15.807 ( 0.285 2.892 0.880) 3.037 16.996 ( 0.157 -8.124 -0.782) 8.164 17.557 ( 0.018 -24.680 -1.409) 24.720 17.997 ( 0.019 26.238 0.222) 26.239 18.965 ( -0.061 -0.351 0.207) 0.412 19.045 ( -0.426 -0.451 0.531) 0.817 19.095 ( 1.256 -0.451 -0.973) 1.652 19.317 ( -1.142 -1.529 2.543) 3.179 ======================= Grid point 452 (214/226) ======================= q-point: (-0.27 -0.36 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 26.154 3.096 -2.962) 26.502 2.343 ( 0.155 8.059 -2.287) 8.378 2.935 ( 1.352 -6.998 -4.762) 8.572 3.367 ( -4.155 -3.336 6.256) 8.218 3.784 ( 1.122 -6.736 6.917) 9.720 3.933 ( -3.283 -0.044 -0.189) 3.289 4.201 ( 1.360 13.262 -5.159) 14.295 4.769 ( -2.160 4.736 -3.489) 6.266 4.899 ( -4.699 -2.287 2.496) 5.791 5.823 ( 0.831 16.759 3.447) 17.130 6.363 ( -0.991 1.074 1.871) 2.374 6.398 ( -0.750 1.199 0.211) 1.430 6.867 ( 0.244 -5.177 2.916) 5.947 7.117 ( -6.446 -23.025 -2.249) 24.016 7.941 ( 3.763 6.558 -2.296) 7.902 8.253 ( 13.430 -9.460 -1.559) 16.501 9.645 ( -20.621 6.418 -0.674) 21.607 10.388 ( 11.102 4.860 0.003) 12.120 13.947 ( -6.841 -0.340 -0.814) 6.897 14.834 ( 12.465 3.416 1.309) 12.990 15.406 ( -0.593 9.188 0.715) 9.235 15.650 ( -1.003 5.010 -2.214) 5.568 15.920 ( 5.199 8.520 -0.091) 9.981 16.887 ( -2.156 -9.790 -1.527) 10.140 17.293 ( -3.909 -20.285 -1.356) 20.702 18.266 ( 3.543 20.840 2.002) 21.233 18.964 ( 0.115 -0.357 0.473) 0.604 19.041 ( -0.174 0.225 0.549) 0.618 19.103 ( 0.410 -0.144 0.059) 0.438 19.272 ( -3.429 -1.916 1.204) 4.109 ======================= Grid point 537 (215/226) ======================= q-point: ( 0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.000 0.000 13.067) 13.067 1.211 ( -0.000 0.000 13.067) 13.067 2.261 ( -0.000 0.000 22.831) 22.831 3.485 ( 0.000 -0.000 -8.649) 8.649 3.485 ( 0.000 -0.000 -8.649) 8.649 3.925 ( 0.000 -0.000 -3.164) 3.164 4.793 ( 0.000 -0.000 -2.759) 2.759 4.962 ( -0.000 0.000 3.033) 3.033 4.962 ( -0.000 0.000 3.033) 3.033 5.702 ( 0.000 -0.000 -0.066) 0.066 6.046 ( -0.000 0.000 0.451) 0.451 6.046 ( -0.000 0.000 0.451) 0.451 7.259 ( -0.000 0.000 0.925) 0.925 7.738 ( 0.000 -0.000 -4.744) 4.744 8.723 ( 0.000 -0.000 -0.448) 0.448 8.723 ( 0.000 -0.000 -0.448) 0.448 8.977 ( -0.000 0.000 0.184) 0.184 8.977 ( -0.000 0.000 0.184) 0.184 14.138 ( -0.000 0.000 0.606) 0.606 14.138 ( -0.000 0.000 0.606) 0.606 14.561 ( 0.000 -0.000 -1.336) 1.336 14.561 ( 0.000 -0.000 -1.336) 1.336 15.801 ( 0.000 -0.000 -0.205) 0.205 15.801 ( 0.000 -0.000 -0.205) 0.205 17.481 ( 0.000 -0.000 -0.287) 0.287 18.862 ( -0.000 0.000 0.250) 0.250 19.034 ( -0.000 0.000 0.306) 0.306 19.034 ( -0.000 0.000 0.306) 0.306 19.131 ( -0.000 0.000 0.562) 0.562 19.659 ( 0.000 -0.000 -0.391) 0.391 ======================= Grid point 538 (216/226) ======================= q-point: ( 0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 10.567 -9.426 13.408) 19.501 1.727 ( 24.750 26.498 6.238) 36.791 2.296 ( -3.450 -4.072 13.313) 14.343 3.349 ( -4.095 -2.082 -0.864) 4.675 3.504 ( -0.976 2.873 -9.488) 9.961 3.961 ( 5.344 1.849 -3.065) 6.432 4.644 ( -8.239 -6.310 -2.235) 10.616 4.915 ( -8.459 2.840 1.953) 9.135 5.043 ( 5.720 -4.038 1.128) 7.092 5.467 ( -14.729 -7.950 5.468) 17.608 6.069 ( 1.502 2.660 0.795) 3.157 6.163 ( 8.446 1.826 -1.475) 8.766 7.226 ( -2.785 -1.233 0.647) 3.114 7.694 ( -1.580 -1.111 -3.415) 3.923 8.625 ( -5.212 -5.030 0.055) 7.243 8.761 ( -6.987 -2.010 -1.627) 7.450 9.101 ( 6.397 12.203 0.643) 13.794 9.180 ( 23.459 6.004 -2.676) 24.363 14.110 ( -3.008 1.439 0.880) 3.449 14.234 ( 8.891 1.022 -0.316) 8.955 14.595 ( 4.479 1.704 -0.593) 4.829 14.768 ( 14.831 9.848 -3.520) 18.148 15.801 ( 0.333 -1.102 -0.541) 1.272 15.985 ( 16.646 11.084 -1.158) 20.032 17.460 ( -1.734 -1.001 -0.217) 2.014 18.802 ( -6.385 -4.107 0.096) 7.592 19.006 ( -1.867 -1.408 0.215) 2.348 19.044 ( 0.800 0.512 0.330) 1.006 19.124 ( -0.877 -0.455 0.339) 1.045 19.577 ( -6.266 -2.932 -0.169) 6.920 ======================= Grid point 539 (217/226) ======================= q-point: ( 0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 9.177 -3.165 8.960) 13.210 2.160 ( -3.336 -2.362 13.141) 13.762 2.528 ( 29.519 18.035 -5.704) 35.059 3.320 ( 0.393 3.106 3.530) 4.718 3.428 ( -4.288 0.741 -8.140) 9.231 4.108 ( 7.087 5.412 1.192) 8.997 4.428 ( -8.016 -6.397 -4.276) 11.112 4.749 ( -10.675 -2.583 -0.371) 10.989 5.036 ( -1.801 -5.203 2.772) 6.164 5.298 ( -1.321 -2.539 4.393) 5.243 6.147 ( 3.408 3.484 0.716) 4.926 6.296 ( 5.600 1.428 -1.409) 5.949 7.158 ( -3.958 -1.597 -0.474) 4.294 7.656 ( -0.016 -0.289 -1.234) 1.267 8.482 ( -19.692 7.263 -1.001) 21.013 8.493 ( -2.576 -21.078 0.591) 21.243 9.349 ( 9.813 9.533 0.872) 13.709 9.639 ( 19.972 9.707 -3.013) 22.410 14.079 ( -2.699 1.227 0.812) 3.074 14.407 ( 9.342 1.348 -0.938) 9.485 14.758 ( 10.653 6.507 0.197) 12.485 15.081 ( 12.959 7.659 -2.813) 15.313 15.788 ( -0.208 -0.711 -0.778) 1.074 16.525 ( 28.826 17.349 -1.351) 33.671 17.408 ( -2.374 -1.322 -0.116) 2.720 18.529 ( -16.947 -10.868 -0.578) 20.141 18.977 ( -0.631 -0.415 0.194) 0.780 19.067 ( 0.837 0.562 0.145) 1.019 19.100 ( -1.193 -0.792 0.279) 1.459 19.449 ( -5.129 -1.713 -0.704) 5.453 ======================= Grid point 540 (218/226) ======================= q-point: ( 0.64 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 5.273 1.200 6.203) 8.229 2.155 ( 1.459 -0.649 5.583) 5.807 3.024 ( 11.452 4.770 -0.279) 12.409 3.333 ( 1.244 -3.707 -5.009) 6.355 3.505 ( 10.842 14.165 -0.765) 17.854 4.194 ( -5.330 -8.236 -6.638) 11.845 4.230 ( -7.817 6.691 4.413) 11.196 4.601 ( 0.813 -3.130 -1.024) 3.392 4.990 ( -0.503 -2.119 2.420) 3.255 5.362 ( 6.905 2.497 2.381) 7.719 6.244 ( 3.865 2.599 0.344) 4.670 6.366 ( 2.587 1.899 -2.056) 3.811 7.051 ( -5.272 -3.247 -1.964) 6.496 7.679 ( 0.843 1.598 1.034) 2.082 8.057 ( -20.673 -11.603 -0.586) 23.714 8.349 ( -5.475 -5.805 1.405) 8.103 9.605 ( 9.295 8.390 1.171) 12.576 9.976 ( 12.637 6.057 -1.536) 14.098 14.053 ( -1.913 0.673 0.692) 2.143 14.549 ( 6.723 1.468 -0.591) 6.907 15.052 ( 13.272 10.055 -0.202) 16.652 15.329 ( 11.422 4.281 -0.311) 12.202 15.781 ( 0.325 0.337 -0.731) 0.868 17.044 ( 8.620 4.791 0.794) 9.894 17.479 ( 15.168 8.811 2.299) 17.691 18.069 ( -21.481 -12.910 -3.113) 25.255 18.970 ( -0.197 -0.088 0.137) 0.256 19.063 ( -1.193 -0.003 -0.599) 1.335 19.093 ( 0.588 -0.680 0.946) 1.305 19.368 ( -2.917 -0.554 -1.616) 3.381 ======================= Grid point 549 (219/226) ======================= q-point: ( 0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -13.635 6.965 7.851) 17.207 1.704 ( 12.000 32.684 5.726) 35.285 2.365 ( -1.833 -5.936 9.564) 11.405 3.340 ( 0.461 -4.017 0.162) 4.047 3.451 ( 1.939 -0.617 -6.760) 7.060 3.960 ( -0.612 6.998 -3.107) 7.681 4.632 ( -1.023 -11.083 -1.755) 11.268 4.899 ( 3.645 -7.631 2.900) 8.941 5.075 ( -3.391 4.944 -0.642) 6.029 5.492 ( 0.411 -15.720 3.942) 16.212 6.077 ( 1.304 2.706 0.442) 3.036 6.145 ( -2.170 7.358 -0.742) 7.707 7.227 ( 0.266 -3.502 0.630) 3.568 7.682 ( -0.151 -1.205 -2.759) 3.014 8.635 ( -3.320 -6.437 -0.499) 7.260 8.742 ( 4.504 -7.482 -0.438) 8.744 9.119 ( 3.204 11.836 -0.106) 12.262 9.158 ( -3.776 22.579 -1.559) 22.946 14.124 ( 2.460 -1.423 0.170) 2.847 14.223 ( -2.957 7.689 0.230) 8.241 14.601 ( -1.100 5.157 -0.963) 5.361 14.742 ( 1.292 16.675 -1.812) 16.823 15.788 ( -0.754 -0.746 0.247) 1.089 15.994 ( 0.847 20.231 -1.557) 20.309 17.459 ( 0.001 -2.048 -0.140) 2.052 18.803 ( -0.256 -7.595 0.077) 7.599 19.007 ( -0.178 -2.056 0.089) 2.066 19.047 ( -0.012 0.972 0.159) 0.985 19.126 ( 0.047 -0.861 0.184) 0.881 19.573 ( 0.418 -7.370 0.077) 7.382 ======================= Grid point 550 (220/226) ======================= q-point: ( 0.55 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 4.226 10.615 13.148) 17.419 2.245 ( -3.451 -6.157 10.711) 12.827 2.291 ( 15.960 27.567 -8.621) 32.999 3.330 ( 1.461 -0.775 2.884) 3.324 3.431 ( -0.482 -0.324 -9.049) 9.067 4.065 ( 4.503 9.218 -0.715) 10.283 4.451 ( -5.375 -10.696 -0.478) 11.980 4.823 ( -3.998 -9.183 -2.512) 10.326 5.052 ( -2.967 -0.993 3.385) 4.609 5.334 ( -3.700 -6.877 4.044) 8.794 6.137 ( 2.665 3.932 -0.762) 4.810 6.235 ( 3.223 4.847 1.226) 5.948 7.179 ( -1.919 -3.710 -0.441) 4.200 7.657 ( -0.304 0.078 -1.013) 1.060 8.400 ( -7.631 -14.542 0.528) 16.431 8.842 ( -3.168 2.050 -1.462) 4.047 9.072 ( 4.491 1.102 -0.839) 4.700 9.589 ( 13.165 23.849 -1.018) 27.261 14.081 ( -1.867 -3.039 -1.635) 3.924 14.395 ( 6.842 13.040 2.455) 14.929 14.658 ( 3.802 4.799 0.197) 6.126 14.997 ( 8.402 15.071 -2.319) 17.410 15.779 ( 0.077 -0.818 0.500) 0.962 16.360 ( 15.401 27.802 -1.932) 31.842 17.422 ( -1.434 -2.545 -0.087) 2.922 18.621 ( -8.899 -15.284 0.510) 17.693 18.984 ( -0.608 -0.734 0.056) 0.955 19.062 ( 0.602 0.758 0.283) 1.008 19.110 ( -0.900 -0.935 -0.135) 1.305 19.479 ( -2.811 -5.645 -0.807) 6.358 ======================= Grid point 551 (221/226) ======================= q-point: ( 0.64 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 0.853 19.067 12.027) 22.559 2.158 ( -0.540 -2.338 2.773) 3.667 2.779 ( 18.630 9.812 -0.665) 21.066 3.324 ( -4.746 -2.680 -7.910) 9.606 3.457 ( 8.162 8.820 -0.960) 12.055 4.143 ( -1.805 -4.352 -7.189) 8.595 4.358 ( 1.943 3.211 4.631) 5.961 4.598 ( -8.946 -8.422 -4.692) 13.152 4.997 ( -1.558 -3.527 5.353) 6.597 5.337 ( 2.691 3.122 4.444) 6.062 6.228 ( 2.838 4.424 -0.339) 5.267 6.316 ( 3.058 1.227 -0.362) 3.315 7.082 ( -4.179 -4.580 -1.952) 6.500 7.681 ( 1.665 2.231 0.975) 2.950 8.098 ( -9.413 -19.906 0.315) 22.022 8.654 ( -19.920 9.941 -0.376) 22.266 9.284 ( 20.652 -9.190 -0.344) 22.607 9.976 ( 8.045 19.575 -0.649) 21.173 14.021 ( 0.336 -4.979 -1.481) 5.205 14.607 ( -0.705 15.814 2.249) 15.989 14.879 ( 16.130 5.336 1.093) 17.025 15.241 ( 6.836 10.819 -1.907) 12.939 15.781 ( 0.333 0.344 0.336) 0.585 16.919 ( 17.107 19.388 0.393) 25.860 17.403 ( 3.279 3.665 -0.204) 4.922 18.235 ( -16.390 -19.083 1.029) 25.177 18.974 ( -0.251 -0.023 0.003) 0.252 19.078 ( 0.603 -1.023 0.872) 1.473 19.082 ( -1.268 0.175 -0.660) 1.440 19.385 ( -2.347 -2.998 -2.047) 4.323 ======================= Grid point 560 (222/226) ======================= q-point: ( 0.45 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( -2.724 13.292 -6.402) 15.002 2.098 ( -13.169 13.101 14.059) 23.297 2.370 ( -2.992 9.237 -2.861) 10.122 3.315 ( 0.019 -2.867 6.044) 6.689 3.384 ( 0.975 -0.824 -4.410) 4.591 4.059 ( -3.587 6.648 -0.142) 7.555 4.474 ( 5.005 -8.591 -3.454) 10.525 4.773 ( 4.334 -9.921 3.995) 11.540 5.100 ( 2.072 -1.095 -2.774) 3.631 5.347 ( 2.719 -4.586 2.183) 5.761 6.121 ( -1.843 4.028 1.386) 4.641 6.260 ( -3.712 4.744 -1.990) 6.344 7.170 ( 2.043 -4.363 0.710) 4.869 7.662 ( 0.335 0.462 -1.668) 1.763 8.408 ( 9.003 -13.946 -0.533) 16.608 8.829 ( -3.973 -1.840 0.200) 4.383 9.059 ( 2.198 4.948 0.900) 5.489 9.593 ( -13.905 22.701 -1.532) 26.665 14.057 ( 2.417 -3.151 1.540) 4.260 14.431 ( -8.622 12.987 -2.299) 15.757 14.668 ( -1.933 6.078 -0.986) 6.454 14.982 ( -9.311 14.000 -0.449) 16.820 15.789 ( 0.000 -0.539 -0.771) 0.941 16.350 ( -15.399 27.834 -0.602) 31.815 17.421 ( 1.455 -2.619 -0.036) 2.996 18.632 ( 8.548 -14.530 -1.000) 16.887 18.985 ( 0.610 -0.897 -0.047) 1.086 19.064 ( -0.508 1.092 0.066) 1.206 19.108 ( 0.782 -1.258 0.092) 1.484 19.466 ( 3.224 -6.282 0.888) 7.116 ======================= Grid point 561 (223/226) ======================= q-point: ( 0.55 0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( -2.804 6.037 -2.845) 7.239 2.234 ( 2.211 -5.210 4.570) 7.274 2.489 ( -0.692 35.288 -1.910) 35.346 3.312 ( 0.058 -2.562 5.783) 6.326 3.389 ( 0.595 1.238 -4.293) 4.507 4.119 ( 0.937 9.380 0.042) 9.427 4.396 ( -1.421 -11.147 -0.384) 11.244 4.732 ( 1.268 -10.978 1.919) 11.217 5.076 ( -0.352 -3.489 -2.612) 4.373 5.325 ( -0.639 -2.674 1.090) 2.958 6.153 ( -0.327 4.609 0.069) 4.621 6.275 ( 0.002 5.174 1.075) 5.284 7.149 ( 0.374 -5.065 0.694) 5.126 7.657 ( -0.293 0.855 -1.307) 1.589 8.465 ( -11.908 -16.926 1.041) 20.721 8.508 ( 13.281 -8.797 -1.263) 15.981 9.362 ( -2.421 13.440 -0.801) 13.680 9.617 ( 1.398 22.252 -0.050) 22.295 14.090 ( 0.086 -1.700 -0.624) 1.813 14.398 ( 0.307 8.921 0.123) 8.927 14.760 ( -1.619 12.277 -0.148) 12.384 15.059 ( 1.313 15.584 0.104) 15.639 15.779 ( -0.309 -0.563 0.512) 0.821 16.526 ( 0.104 33.924 -1.317) 33.950 17.407 ( 0.033 -2.689 0.072) 2.690 18.528 ( -0.252 -20.338 -0.459) 20.344 18.980 ( 0.051 -0.721 -0.216) 0.754 19.066 ( -0.259 0.495 0.238) 0.607 19.106 ( 0.300 -0.833 -0.531) 1.033 19.438 ( 0.155 -5.963 0.800) 6.018 ======================= Grid point 562 (224/226) ======================= q-point: (-0.36 -0.45 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 17.850 7.663 3.825) 19.799 2.182 ( -1.562 -1.017 -0.318) 1.891 2.797 ( -1.231 23.400 2.092) 23.526 3.338 ( -2.675 1.046 -4.808) 5.600 3.397 ( 5.617 4.854 -0.751) 7.462 4.142 ( -5.598 -1.479 -6.234) 8.508 4.316 ( 3.542 -5.853 5.415) 8.725 4.628 ( -3.526 -4.786 -2.520) 6.457 5.015 ( -1.641 -3.578 2.315) 4.566 5.345 ( 2.470 3.657 2.554) 5.098 6.215 ( 2.718 5.159 -1.183) 5.950 6.322 ( -0.575 2.011 2.179) 3.021 7.084 ( -2.346 -5.189 -0.393) 5.708 7.673 ( 1.266 1.228 -0.014) 1.764 8.094 ( -11.407 -17.409 0.301) 20.816 8.699 ( 18.394 -11.407 -0.948) 21.665 9.238 ( -18.615 12.725 -0.880) 22.565 9.984 ( 12.069 16.963 0.151) 20.819 14.007 ( -4.330 -2.428 -1.942) 5.331 14.646 ( 15.491 7.499 1.835) 17.308 14.840 ( -3.850 14.724 1.630) 15.306 15.263 ( 4.561 13.615 -1.125) 14.402 15.779 ( 0.431 0.013 1.063) 1.147 16.919 ( 8.408 24.757 -0.252) 26.147 17.402 ( 1.412 4.658 -0.395) 4.883 18.240 ( -8.025 -23.846 1.561) 25.208 18.975 ( 0.040 -0.233 -0.202) 0.310 19.065 ( 0.054 -1.081 0.589) 1.233 19.098 ( -0.505 0.414 -0.837) 1.061 19.375 ( -1.656 -3.922 -0.624) 4.303 ======================= Grid point 672 (225/226) ======================= q-point: ( 0.45 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( -0.000 0.000 4.854) 4.854 1.347 ( -0.000 0.000 4.854) 4.854 2.495 ( -0.000 0.000 8.251) 8.251 3.392 ( 0.000 -0.000 -3.393) 3.393 3.392 ( 0.000 -0.000 -3.393) 3.393 3.893 ( 0.000 -0.000 -1.137) 1.137 4.762 ( 0.000 -0.000 -1.218) 1.218 4.993 ( -0.000 0.000 1.052) 1.052 4.993 ( -0.000 0.000 1.052) 1.052 5.699 ( 0.000 -0.000 -0.137) 0.137 6.051 ( -0.000 0.000 0.166) 0.166 6.051 ( -0.000 0.000 0.166) 0.166 7.270 ( -0.000 0.000 0.411) 0.411 7.688 ( 0.000 -0.000 -1.849) 1.849 8.718 ( 0.000 -0.000 -0.161) 0.161 8.718 ( 0.000 -0.000 -0.161) 0.161 8.979 ( 0.000 0.000 0.063) 0.063 8.979 ( -0.000 0.000 0.063) 0.063 14.144 ( -0.000 0.000 0.239) 0.239 14.144 ( -0.000 0.000 0.239) 0.239 14.547 ( 0.000 -0.000 -0.512) 0.512 14.547 ( 0.000 -0.000 -0.512) 0.512 15.799 ( 0.000 -0.000 -0.075) 0.075 15.799 ( 0.000 -0.000 -0.075) 0.075 17.478 ( 0.000 -0.000 -0.107) 0.107 18.865 ( -0.000 0.000 0.095) 0.095 19.037 ( -0.000 0.000 0.113) 0.113 19.037 ( -0.000 0.000 0.113) 0.113 19.137 ( -0.000 0.000 0.210) 0.210 19.655 ( 0.000 -0.000 -0.148) 0.148 ======================= Grid point 673 (226/226) ======================= q-point: ( 0.55 0.45 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.64e-04 1.64e-04 6.61e-05 6.61e-05 Number of triplets: 666 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 5.032 0.094 4.470) 6.731 1.758 ( 28.811 19.095 -1.417) 34.593 2.416 ( -7.858 -5.023 2.535) 9.665 3.371 ( -1.005 -0.494 3.650) 3.818 3.387 ( -0.792 0.097 -5.831) 5.885 3.939 ( 5.560 3.045 -0.092) 6.340 4.622 ( -9.431 -5.642 -0.530) 11.003 4.926 ( -6.674 -2.759 -0.601) 7.247 5.060 ( 3.667 1.016 1.198) 3.990 5.515 ( -12.626 -7.185 0.905) 14.555 6.078 ( 2.201 1.788 0.294) 2.851 6.144 ( 7.036 3.369 -0.753) 7.837 7.232 ( -2.958 -1.655 0.030) 3.389 7.664 ( -1.154 -0.689 -0.419) 1.407 8.629 ( -6.078 -2.905 0.356) 6.746 8.744 ( -5.401 -4.435 -0.661) 7.020 9.112 ( 7.167 10.537 0.788) 12.767 9.154 ( 21.271 6.726 -0.887) 22.327 14.122 ( -1.855 -0.337 0.543) 1.962 14.228 ( 7.137 3.171 -0.449) 7.823 14.592 ( 4.414 2.607 0.217) 5.131 14.736 ( 14.288 8.323 -0.849) 16.557 15.793 ( -0.391 -0.392 -0.456) 0.717 15.980 ( 16.604 9.790 0.335) 19.278 17.458 ( -1.735 -1.002 -0.046) 2.004 18.803 ( -6.635 -3.881 0.007) 7.686 19.008 ( -1.924 -1.170 0.059) 2.253 19.048 ( 0.845 0.506 0.109) 0.991 19.127 ( -0.897 -0.519 0.086) 1.040 19.575 ( -6.123 -3.439 -0.136) 7.024 =================== 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 3/39930 10.0 1411.861 1411.861 1000.199 0.000 -0.000 -0.000 3/39930 20.0 481.539 481.539 256.175 0.000 -0.000 -0.000 3/39930 30.0 201.805 201.805 84.645 0.000 -0.000 -0.000 3/39930 40.0 108.992 108.992 40.878 0.000 -0.000 -0.000 3/39930 50.0 70.537 70.537 24.955 0.000 -0.000 -0.000 3/39930 60.0 51.099 51.099 17.493 0.000 -0.000 -0.000 3/39930 70.0 39.844 39.844 13.355 0.000 -0.000 -0.000 3/39930 80.0 32.663 32.663 10.780 0.000 -0.000 -0.000 3/39930 90.0 27.732 27.732 9.041 0.000 -0.000 -0.000 3/39930 100.0 24.145 24.145 7.792 0.000 -0.000 -0.000 3/39930 110.0 21.417 21.417 6.854 0.000 -0.000 -0.000 3/39930 120.0 19.265 19.265 6.124 0.000 -0.000 -0.000 3/39930 130.0 17.520 17.520 5.540 0.000 -0.000 -0.000 3/39930 140.0 16.074 16.074 5.062 0.000 -0.000 -0.000 3/39930 150.0 14.854 14.854 4.663 0.000 -0.000 -0.000 3/39930 160.0 13.809 13.809 4.325 0.000 -0.000 -0.000 3/39930 170.0 12.904 12.904 4.035 0.000 -0.000 -0.000 3/39930 180.0 12.112 12.112 3.783 0.000 -0.000 -0.000 3/39930 190.0 11.413 11.413 3.562 0.000 -0.000 -0.000 3/39930 200.0 10.791 10.791 3.366 0.000 -0.000 -0.000 3/39930 210.0 10.234 10.234 3.192 0.000 -0.000 -0.000 3/39930 220.0 9.732 9.732 3.036 0.000 -0.000 -0.000 3/39930 230.0 9.278 9.278 2.895 0.000 -0.000 -0.000 3/39930 240.0 8.865 8.865 2.768 0.000 -0.000 -0.000 3/39930 250.0 8.488 8.488 2.651 0.000 -0.000 -0.000 3/39930 260.0 8.142 8.142 2.544 0.000 -0.000 -0.000 3/39930 270.0 7.823 7.823 2.446 0.000 -0.000 -0.000 3/39930 280.0 7.528 7.528 2.355 0.000 -0.000 -0.000 3/39930 290.0 7.256 7.256 2.271 0.000 -0.000 -0.000 3/39930 300.0 7.002 7.002 2.193 0.000 -0.000 -0.000 3/39930 310.0 6.766 6.766 2.121 0.000 -0.000 -0.000 3/39930 320.0 6.546 6.546 2.053 0.000 -0.000 -0.000 3/39930 330.0 6.339 6.339 1.989 0.000 -0.000 -0.000 3/39930 340.0 6.145 6.145 1.929 0.000 -0.000 -0.000 3/39930 350.0 5.963 5.963 1.873 0.000 -0.000 -0.000 3/39930 360.0 5.792 5.792 1.820 0.000 -0.000 -0.000 3/39930 370.0 5.630 5.630 1.770 0.000 -0.000 -0.000 3/39930 380.0 5.477 5.477 1.723 0.000 -0.000 -0.000 3/39930 390.0 5.333 5.333 1.679 0.000 -0.000 -0.000 3/39930 400.0 5.196 5.196 1.636 0.000 -0.000 -0.000 3/39930 410.0 5.065 5.065 1.596 0.000 -0.000 -0.000 3/39930 420.0 4.942 4.942 1.557 0.000 -0.000 -0.000 3/39930 430.0 4.824 4.824 1.521 0.000 -0.000 -0.000 3/39930 440.0 4.712 4.712 1.486 0.000 -0.000 -0.000 3/39930 450.0 4.605 4.605 1.453 0.000 -0.000 -0.000 3/39930 460.0 4.502 4.502 1.421 0.000 -0.000 -0.000 3/39930 470.0 4.404 4.404 1.391 0.000 -0.000 -0.000 3/39930 480.0 4.311 4.311 1.362 0.000 -0.000 -0.000 3/39930 490.0 4.221 4.221 1.334 0.000 -0.000 -0.000 3/39930 500.0 4.135 4.135 1.307 0.000 -0.000 -0.000 3/39930 510.0 4.053 4.053 1.281 0.000 -0.000 -0.000 3/39930 520.0 3.973 3.973 1.256 0.000 -0.000 -0.000 3/39930 530.0 3.897 3.897 1.233 0.000 -0.000 -0.000 3/39930 540.0 3.824 3.824 1.210 0.000 -0.000 -0.000 3/39930 550.0 3.753 3.753 1.188 0.000 -0.000 -0.000 3/39930 560.0 3.685 3.685 1.166 0.000 -0.000 -0.000 3/39930 570.0 3.620 3.620 1.146 0.000 -0.000 -0.000 3/39930 580.0 3.556 3.556 1.126 0.000 -0.000 -0.000 3/39930 590.0 3.495 3.495 1.107 0.000 -0.000 -0.000 3/39930 600.0 3.436 3.436 1.089 0.000 -0.000 -0.000 3/39930 610.0 3.379 3.379 1.071 0.000 -0.000 -0.000 3/39930 620.0 3.324 3.324 1.053 0.000 -0.000 -0.000 3/39930 630.0 3.271 3.271 1.037 0.000 -0.000 -0.000 3/39930 640.0 3.219 3.219 1.020 0.000 -0.000 -0.000 3/39930 650.0 3.169 3.169 1.005 0.000 -0.000 -0.000 3/39930 660.0 3.120 3.120 0.989 0.000 -0.000 -0.000 3/39930 670.0 3.073 3.073 0.975 0.000 -0.000 -0.000 3/39930 680.0 3.028 3.028 0.960 0.000 -0.000 -0.000 3/39930 690.0 2.983 2.983 0.946 0.000 -0.000 -0.000 3/39930 700.0 2.940 2.940 0.933 0.000 -0.000 -0.000 3/39930 710.0 2.899 2.899 0.920 0.000 -0.000 -0.000 3/39930 720.0 2.858 2.858 0.907 0.000 -0.000 -0.000 3/39930 730.0 2.818 2.818 0.895 0.000 -0.000 -0.000 3/39930 740.0 2.780 2.780 0.882 0.000 -0.000 -0.000 3/39930 750.0 2.743 2.743 0.871 0.000 -0.000 -0.000 3/39930 760.0 2.706 2.706 0.859 0.000 -0.000 -0.000 3/39930 770.0 2.671 2.671 0.848 0.000 -0.000 -0.000 3/39930 780.0 2.636 2.636 0.837 0.000 -0.000 -0.000 3/39930 790.0 2.603 2.603 0.827 0.000 -0.000 -0.000 3/39930 800.0 2.570 2.570 0.816 0.000 -0.000 -0.000 3/39930 810.0 2.538 2.538 0.806 0.000 -0.000 -0.000 3/39930 820.0 2.507 2.507 0.796 0.000 -0.000 -0.000 3/39930 830.0 2.477 2.477 0.787 0.000 -0.000 -0.000 3/39930 840.0 2.447 2.447 0.777 0.000 -0.000 -0.000 3/39930 850.0 2.418 2.418 0.768 0.000 -0.000 -0.000 3/39930 860.0 2.390 2.390 0.759 0.000 -0.000 -0.000 3/39930 870.0 2.362 2.362 0.751 0.000 -0.000 -0.000 3/39930 880.0 2.335 2.335 0.742 0.000 -0.000 -0.000 3/39930 890.0 2.309 2.309 0.734 0.000 -0.000 -0.000 3/39930 900.0 2.283 2.283 0.726 0.000 -0.000 -0.000 3/39930 910.0 2.258 2.258 0.718 0.000 -0.000 -0.000 3/39930 920.0 2.233 2.233 0.710 0.000 -0.000 -0.000 3/39930 930.0 2.209 2.209 0.702 0.000 -0.000 -0.000 3/39930 940.0 2.185 2.185 0.695 0.000 -0.000 -0.000 3/39930 950.0 2.162 2.162 0.687 0.000 -0.000 -0.000 3/39930 960.0 2.139 2.139 0.680 0.000 -0.000 -0.000 3/39930 970.0 2.117 2.117 0.673 0.000 -0.000 -0.000 3/39930 980.0 2.096 2.096 0.666 0.000 -0.000 -0.000 3/39930 990.0 2.074 2.074 0.660 0.000 -0.000 -0.000 3/39930 1000.0 2.054 2.054 0.653 0.000 -0.000 -0.000 3/39930 Thermal conductivity related properties were written into "kappa-m111111.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:48:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|