----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:11:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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-3c (167) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.428191724760748 1.401917145934637 5.147941476666661 b -2.428191724760743 1.401917145934637 5.147941476666661 c 0.000000000000003 -2.803834291869277 5.147941476666661 Atomic positions (fractional): *1 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 2 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 *3 O 0.03467036352348 0.75000000000000 0.46532963647652 15.999 4 O 0.75000000000000 0.46532963647653 0.03467036352348 15.999 5 O 0.46532963647652 0.03467036352348 0.75000000000000 15.999 6 O 0.96532963647652 0.25000000000000 0.53467036352348 15.999 7 O 0.25000000000000 0.53467036352348 0.96532963647652 15.999 8 O 0.53467036352348 0.96532963647653 0.25000000000000 15.999 *9 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 10 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.856383449521491 0.000000000000000 0.000000000000000 b -2.428191724760746 4.205751437803914 0.000000000000000 c 0.000000000000000 0.000000000000000 15.443824429999999 Atomic positions (fractional): *1 B 0.33333333333333 0.66666666666667 0.91666666666667 10.811 > 1 2 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 2 3 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 1 4 B 0.66666666666667 0.33333333333333 0.08333333333333 10.811 > 2 5 B 0.66666666666667 0.33333333333333 0.58333333333333 10.811 > 1 6 B 0.33333333333333 0.66666666666667 0.41666666666667 10.811 > 2 *7 O 0.28467036352348 0.28467036352348 0.75000000000000 15.999 > 3 8 O 0.00000000000000 0.71532963647652 0.75000000000000 15.999 > 4 9 O 0.71532963647652 0.00000000000000 0.75000000000000 15.999 > 5 10 O 0.04866296980986 0.38199630314319 0.91666666666667 15.999 > 6 11 O 0.33333333333333 0.95133703019014 0.91666666666667 15.999 > 7 12 O 0.61800369685681 0.66666666666667 0.91666666666667 15.999 > 8 13 O 0.95133703019014 0.61800369685681 0.08333333333333 15.999 > 3 14 O 0.66666666666667 0.04866296980986 0.08333333333333 15.999 > 4 15 O 0.38199630314319 0.33333333333333 0.08333333333333 15.999 > 5 16 O 0.71532963647652 0.71532963647652 0.25000000000000 15.999 > 6 17 O 0.00000000000000 0.28467036352348 0.25000000000000 15.999 > 7 18 O 0.28467036352348 0.00000000000000 0.25000000000000 15.999 > 8 19 O 0.61800369685681 0.95133703019014 0.41666666666667 15.999 > 3 20 O 0.33333333333333 0.38199630314319 0.41666666666667 15.999 > 4 21 O 0.04866296980986 0.66666666666667 0.41666666666667 15.999 > 5 22 O 0.38199630314319 0.04866296980986 0.58333333333333 15.999 > 6 23 O 0.66666666666667 0.61800369685681 0.58333333333333 15.999 > 7 24 O 0.95133703019014 0.33333333333333 0.58333333333333 15.999 > 8 *25 In 0.66666666666667 0.33333333333333 0.83333333333333 114.818 > 9 26 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 10 27 In 0.33333333333333 0.66666666666667 0.16666666666667 114.818 > 9 28 In 0.66666666666667 0.33333333333333 0.33333333333333 114.818 > 10 29 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 9 30 In 0.33333333333333 0.66666666666667 0.66666666666667 114.818 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.712766899042983 0.000000000000000 0.000000000000000 b -4.856383449521492 8.411502875607828 0.000000000000000 c 0.000000000000000 0.000000000000000 15.443824429999999 Atomic positions (fractional): *1 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 1 2 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 1 3 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 1 4 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 2 6 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 2 7 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 2 8 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 2 9 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 1 10 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 1 11 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 1 12 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 2 14 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 2 15 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 2 16 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 2 17 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 1 18 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 1 19 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 1 20 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 2 22 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 2 23 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 2 24 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 2 *25 O 0.14233518176174 0.14233518176174 0.75000000000000 15.999 > 3 26 O 0.64233518176174 0.14233518176174 0.75000000000000 15.999 > 3 27 O 0.14233518176174 0.64233518176174 0.75000000000000 15.999 > 3 28 O 0.64233518176174 0.64233518176174 0.75000000000000 15.999 > 3 29 O 0.00000000000000 0.35766481823826 0.75000000000000 15.999 > 4 30 O 0.50000000000000 0.35766481823826 0.75000000000000 15.999 > 4 31 O 0.00000000000000 0.85766481823826 0.75000000000000 15.999 > 4 32 O 0.50000000000000 0.85766481823826 0.75000000000000 15.999 > 4 33 O 0.35766481823826 0.00000000000000 0.75000000000000 15.999 > 5 34 O 0.85766481823826 0.00000000000000 0.75000000000000 15.999 > 5 35 O 0.35766481823826 0.50000000000000 0.75000000000000 15.999 > 5 36 O 0.85766481823826 0.50000000000000 0.75000000000000 15.999 > 5 37 O 0.02433148490493 0.19099815157160 0.91666666666667 15.999 > 6 38 O 0.52433148490493 0.19099815157160 0.91666666666667 15.999 > 6 39 O 0.02433148490493 0.69099815157160 0.91666666666667 15.999 > 6 40 O 0.52433148490493 0.69099815157160 0.91666666666667 15.999 > 6 41 O 0.16666666666667 0.47566851509507 0.91666666666667 15.999 > 7 42 O 0.66666666666667 0.47566851509507 0.91666666666667 15.999 > 7 43 O 0.16666666666667 0.97566851509507 0.91666666666667 15.999 > 7 44 O 0.66666666666667 0.97566851509507 0.91666666666667 15.999 > 7 45 O 0.30900184842840 0.33333333333333 0.91666666666667 15.999 > 8 46 O 0.80900184842840 0.33333333333333 0.91666666666667 15.999 > 8 47 O 0.30900184842840 0.83333333333333 0.91666666666667 15.999 > 8 48 O 0.80900184842840 0.83333333333333 0.91666666666667 15.999 > 8 49 O 0.47566851509507 0.30900184842840 0.08333333333333 15.999 > 3 50 O 0.97566851509507 0.30900184842840 0.08333333333333 15.999 > 3 51 O 0.47566851509507 0.80900184842840 0.08333333333333 15.999 > 3 52 O 0.97566851509507 0.80900184842840 0.08333333333333 15.999 > 3 53 O 0.33333333333333 0.02433148490493 0.08333333333333 15.999 > 4 54 O 0.83333333333333 0.02433148490493 0.08333333333333 15.999 > 4 55 O 0.33333333333333 0.52433148490493 0.08333333333333 15.999 > 4 56 O 0.83333333333333 0.52433148490493 0.08333333333333 15.999 > 4 57 O 0.19099815157160 0.16666666666667 0.08333333333333 15.999 > 5 58 O 0.69099815157160 0.16666666666667 0.08333333333333 15.999 > 5 59 O 0.19099815157160 0.66666666666667 0.08333333333333 15.999 > 5 60 O 0.69099815157160 0.66666666666667 0.08333333333333 15.999 > 5 61 O 0.35766481823826 0.35766481823826 0.25000000000000 15.999 > 6 62 O 0.85766481823826 0.35766481823826 0.25000000000000 15.999 > 6 63 O 0.35766481823826 0.85766481823826 0.25000000000000 15.999 > 6 64 O 0.85766481823826 0.85766481823826 0.25000000000000 15.999 > 6 65 O 0.00000000000000 0.14233518176174 0.25000000000000 15.999 > 7 66 O 0.50000000000000 0.14233518176174 0.25000000000000 15.999 > 7 67 O 0.00000000000000 0.64233518176174 0.25000000000000 15.999 > 7 68 O 0.50000000000000 0.64233518176174 0.25000000000000 15.999 > 7 69 O 0.14233518176174 0.00000000000000 0.25000000000000 15.999 > 8 70 O 0.64233518176174 0.00000000000000 0.25000000000000 15.999 > 8 71 O 0.14233518176174 0.50000000000000 0.25000000000000 15.999 > 8 72 O 0.64233518176174 0.50000000000000 0.25000000000000 15.999 > 8 73 O 0.30900184842840 0.47566851509507 0.41666666666667 15.999 > 3 74 O 0.80900184842840 0.47566851509507 0.41666666666667 15.999 > 3 75 O 0.30900184842840 0.97566851509507 0.41666666666667 15.999 > 3 76 O 0.80900184842840 0.97566851509507 0.41666666666667 15.999 > 3 77 O 0.16666666666667 0.19099815157160 0.41666666666667 15.999 > 4 78 O 0.66666666666667 0.19099815157160 0.41666666666667 15.999 > 4 79 O 0.16666666666667 0.69099815157160 0.41666666666667 15.999 > 4 80 O 0.66666666666667 0.69099815157160 0.41666666666667 15.999 > 4 81 O 0.02433148490493 0.33333333333333 0.41666666666667 15.999 > 5 82 O 0.52433148490493 0.33333333333333 0.41666666666667 15.999 > 5 83 O 0.02433148490493 0.83333333333333 0.41666666666667 15.999 > 5 84 O 0.52433148490493 0.83333333333333 0.41666666666667 15.999 > 5 85 O 0.19099815157160 0.02433148490493 0.58333333333333 15.999 > 6 86 O 0.69099815157160 0.02433148490493 0.58333333333333 15.999 > 6 87 O 0.19099815157160 0.52433148490493 0.58333333333333 15.999 > 6 88 O 0.69099815157160 0.52433148490493 0.58333333333333 15.999 > 6 89 O 0.33333333333333 0.30900184842840 0.58333333333333 15.999 > 7 90 O 0.83333333333333 0.30900184842840 0.58333333333333 15.999 > 7 91 O 0.33333333333333 0.80900184842840 0.58333333333333 15.999 > 7 92 O 0.83333333333333 0.80900184842840 0.58333333333333 15.999 > 7 93 O 0.47566851509507 0.16666666666667 0.58333333333333 15.999 > 8 94 O 0.97566851509507 0.16666666666667 0.58333333333333 15.999 > 8 95 O 0.47566851509507 0.66666666666667 0.58333333333333 15.999 > 8 96 O 0.97566851509507 0.66666666666667 0.58333333333333 15.999 > 8 *97 In 0.33333333333333 0.16666666666667 0.83333333333333 114.818 > 9 98 In 0.83333333333333 0.16666666666667 0.83333333333333 114.818 > 9 99 In 0.33333333333333 0.66666666666667 0.83333333333333 114.818 > 9 100 In 0.83333333333333 0.66666666666667 0.83333333333333 114.818 > 9 101 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 10 102 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 10 103 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 10 104 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 10 105 In 0.16666666666667 0.33333333333333 0.16666666666667 114.818 > 9 106 In 0.66666666666667 0.33333333333333 0.16666666666667 114.818 > 9 107 In 0.16666666666667 0.83333333333333 0.16666666666667 114.818 > 9 108 In 0.66666666666667 0.83333333333333 0.16666666666667 114.818 > 9 109 In 0.33333333333333 0.16666666666667 0.33333333333333 114.818 > 10 110 In 0.83333333333333 0.16666666666667 0.33333333333333 114.818 > 10 111 In 0.33333333333333 0.66666666666667 0.33333333333333 114.818 > 10 112 In 0.83333333333333 0.66666666666667 0.33333333333333 114.818 > 10 113 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 9 114 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 > 9 115 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 9 116 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 > 9 117 In 0.16666666666667 0.33333333333333 0.66666666666667 114.818 > 10 118 In 0.66666666666667 0.33333333333333 0.66666666666667 114.818 > 10 119 In 0.16666666666667 0.83333333333333 0.66666666666667 114.818 > 10 120 In 0.66666666666667 0.83333333333333 0.66666666666667 114.818 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8646000 -0.0000000 0.0000000 -0.0000000 3.8646000 0.0000000 0.0000000 0.0000000 3.3469592 -------------------------- Born effective charges -------------------------- 1 B 2.8933121 -0.0000000 0.0000000 0.0000000 2.8933121 0.0000000 0.0000000 -0.0000000 0.6565030 2 B 2.8933121 -0.0000000 0.0000000 0.0000000 2.8933121 0.0000000 0.0000000 -0.0000000 0.6565030 3 O -1.8562272 -0.4733119 -0.3209007 -0.4733119 -2.4027607 0.1852721 -0.2501067 0.1443992 -1.3678695 4 O -1.8562272 0.4733119 0.3209007 0.4733119 -2.4027607 0.1852721 0.2501067 0.1443992 -1.3678695 5 O -2.6760275 0.0000000 -0.0000000 0.0000000 -1.5829604 -0.3705442 0.0000000 -0.2887984 -1.3678695 6 O -1.8562272 -0.4733119 -0.3209007 -0.4733119 -2.4027607 0.1852721 -0.2501067 0.1443992 -1.3678695 7 O -1.8562272 0.4733119 0.3209007 0.4733119 -2.4027607 0.1852721 0.2501067 0.1443992 -1.3678695 8 O -2.6760275 0.0000000 -0.0000000 0.0000000 -1.5829604 -0.3705442 0.0000000 -0.2887984 -1.3678695 9 In 3.4951698 -0.0570768 0.0000000 0.0570768 3.4951698 0.0000000 0.0000000 -0.0000000 3.4471055 10 In 3.4951698 0.0570768 0.0000000 -0.0570768 3.4951698 0.0000000 0.0000000 -0.0000000 3.4471055 ---------------------------------------------------------------------------- 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: 510 Number of blocks in projector: 276 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: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 160 - Time: 0.436 Solver_block: 160 / 160 - Time: 0.314 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.789 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 510 Number of blocks in projector: 276 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: 239 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 194 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 77 Use standard eigh solver. Tree of FC basis block matrices: - (510, 500), data: False |-- (77, 74), data: True |-- (194, 192), data: True |-- (239, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:11:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:11:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [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-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.428191724760748 1.401917145934637 5.147941476666661 b -2.428191724760743 1.401917145934637 5.147941476666661 c 0.000000000000003 -2.803834291869277 5.147941476666661 Atomic positions (fractional): 1 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 2 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 3 O 0.03467036352348 0.75000000000000 0.46532963647652 15.999 4 O 0.75000000000000 0.46532963647653 0.03467036352348 15.999 5 O 0.46532963647652 0.03467036352348 0.75000000000000 15.999 6 O 0.96532963647652 0.25000000000000 0.53467036352348 15.999 7 O 0.25000000000000 0.53467036352348 0.96532963647652 15.999 8 O 0.53467036352348 0.96532963647653 0.25000000000000 15.999 9 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 10 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.712766899042983 0.000000000000000 0.000000000000000 b -4.856383449521492 8.411502875607828 0.000000000000000 c 0.000000000000000 0.000000000000000 15.443824429999999 Atomic positions (fractional): 1 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 1 2 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 1 3 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 1 4 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 5 6 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 5 7 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 5 8 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 5 9 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 1 10 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 1 11 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 1 12 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 5 14 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 5 15 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 5 16 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 5 17 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 1 18 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 1 19 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 1 20 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 5 22 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 5 23 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 5 24 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 5 25 O 0.14233518176174 0.14233518176174 0.75000000000000 15.999 > 25 26 O 0.64233518176174 0.14233518176174 0.75000000000000 15.999 > 25 27 O 0.14233518176174 0.64233518176174 0.75000000000000 15.999 > 25 28 O 0.64233518176174 0.64233518176174 0.75000000000000 15.999 > 25 29 O 0.00000000000000 0.35766481823826 0.75000000000000 15.999 > 29 30 O 0.50000000000000 0.35766481823826 0.75000000000000 15.999 > 29 31 O 0.00000000000000 0.85766481823826 0.75000000000000 15.999 > 29 32 O 0.50000000000000 0.85766481823826 0.75000000000000 15.999 > 29 33 O 0.35766481823826 0.00000000000000 0.75000000000000 15.999 > 33 34 O 0.85766481823826 0.00000000000000 0.75000000000000 15.999 > 33 35 O 0.35766481823826 0.50000000000000 0.75000000000000 15.999 > 33 36 O 0.85766481823826 0.50000000000000 0.75000000000000 15.999 > 33 37 O 0.02433148490493 0.19099815157160 0.91666666666667 15.999 > 37 38 O 0.52433148490493 0.19099815157160 0.91666666666667 15.999 > 37 39 O 0.02433148490493 0.69099815157160 0.91666666666667 15.999 > 37 40 O 0.52433148490493 0.69099815157160 0.91666666666667 15.999 > 37 41 O 0.16666666666667 0.47566851509507 0.91666666666667 15.999 > 41 42 O 0.66666666666667 0.47566851509507 0.91666666666667 15.999 > 41 43 O 0.16666666666667 0.97566851509507 0.91666666666667 15.999 > 41 44 O 0.66666666666667 0.97566851509507 0.91666666666667 15.999 > 41 45 O 0.30900184842840 0.33333333333333 0.91666666666667 15.999 > 45 46 O 0.80900184842840 0.33333333333333 0.91666666666667 15.999 > 45 47 O 0.30900184842840 0.83333333333333 0.91666666666667 15.999 > 45 48 O 0.80900184842840 0.83333333333333 0.91666666666667 15.999 > 45 49 O 0.47566851509507 0.30900184842840 0.08333333333333 15.999 > 25 50 O 0.97566851509507 0.30900184842840 0.08333333333333 15.999 > 25 51 O 0.47566851509507 0.80900184842840 0.08333333333333 15.999 > 25 52 O 0.97566851509507 0.80900184842840 0.08333333333333 15.999 > 25 53 O 0.33333333333333 0.02433148490493 0.08333333333333 15.999 > 29 54 O 0.83333333333333 0.02433148490493 0.08333333333333 15.999 > 29 55 O 0.33333333333333 0.52433148490493 0.08333333333333 15.999 > 29 56 O 0.83333333333333 0.52433148490493 0.08333333333333 15.999 > 29 57 O 0.19099815157160 0.16666666666667 0.08333333333333 15.999 > 33 58 O 0.69099815157160 0.16666666666667 0.08333333333333 15.999 > 33 59 O 0.19099815157160 0.66666666666667 0.08333333333333 15.999 > 33 60 O 0.69099815157160 0.66666666666667 0.08333333333333 15.999 > 33 61 O 0.35766481823826 0.35766481823826 0.25000000000000 15.999 > 37 62 O 0.85766481823826 0.35766481823826 0.25000000000000 15.999 > 37 63 O 0.35766481823826 0.85766481823826 0.25000000000000 15.999 > 37 64 O 0.85766481823826 0.85766481823826 0.25000000000000 15.999 > 37 65 O 0.00000000000000 0.14233518176174 0.25000000000000 15.999 > 41 66 O 0.50000000000000 0.14233518176174 0.25000000000000 15.999 > 41 67 O 0.00000000000000 0.64233518176174 0.25000000000000 15.999 > 41 68 O 0.50000000000000 0.64233518176174 0.25000000000000 15.999 > 41 69 O 0.14233518176174 0.00000000000000 0.25000000000000 15.999 > 45 70 O 0.64233518176174 0.00000000000000 0.25000000000000 15.999 > 45 71 O 0.14233518176174 0.50000000000000 0.25000000000000 15.999 > 45 72 O 0.64233518176174 0.50000000000000 0.25000000000000 15.999 > 45 73 O 0.30900184842840 0.47566851509507 0.41666666666667 15.999 > 25 74 O 0.80900184842840 0.47566851509507 0.41666666666667 15.999 > 25 75 O 0.30900184842840 0.97566851509507 0.41666666666667 15.999 > 25 76 O 0.80900184842840 0.97566851509507 0.41666666666667 15.999 > 25 77 O 0.16666666666667 0.19099815157160 0.41666666666667 15.999 > 29 78 O 0.66666666666667 0.19099815157160 0.41666666666667 15.999 > 29 79 O 0.16666666666667 0.69099815157160 0.41666666666667 15.999 > 29 80 O 0.66666666666667 0.69099815157160 0.41666666666667 15.999 > 29 81 O 0.02433148490493 0.33333333333333 0.41666666666667 15.999 > 33 82 O 0.52433148490493 0.33333333333333 0.41666666666667 15.999 > 33 83 O 0.02433148490493 0.83333333333333 0.41666666666667 15.999 > 33 84 O 0.52433148490493 0.83333333333333 0.41666666666667 15.999 > 33 85 O 0.19099815157160 0.02433148490493 0.58333333333333 15.999 > 37 86 O 0.69099815157160 0.02433148490493 0.58333333333333 15.999 > 37 87 O 0.19099815157160 0.52433148490493 0.58333333333333 15.999 > 37 88 O 0.69099815157160 0.52433148490493 0.58333333333333 15.999 > 37 89 O 0.33333333333333 0.30900184842840 0.58333333333333 15.999 > 41 90 O 0.83333333333333 0.30900184842840 0.58333333333333 15.999 > 41 91 O 0.33333333333333 0.80900184842840 0.58333333333333 15.999 > 41 92 O 0.83333333333333 0.80900184842840 0.58333333333333 15.999 > 41 93 O 0.47566851509507 0.16666666666667 0.58333333333333 15.999 > 45 94 O 0.97566851509507 0.16666666666667 0.58333333333333 15.999 > 45 95 O 0.47566851509507 0.66666666666667 0.58333333333333 15.999 > 45 96 O 0.97566851509507 0.66666666666667 0.58333333333333 15.999 > 45 97 In 0.33333333333333 0.16666666666667 0.83333333333333 114.818 > 97 98 In 0.83333333333333 0.16666666666667 0.83333333333333 114.818 > 97 99 In 0.33333333333333 0.66666666666667 0.83333333333333 114.818 > 97 100 In 0.83333333333333 0.66666666666667 0.83333333333333 114.818 > 97 101 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 101 102 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 101 103 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 101 104 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 101 105 In 0.16666666666667 0.33333333333333 0.16666666666667 114.818 > 97 106 In 0.66666666666667 0.33333333333333 0.16666666666667 114.818 > 97 107 In 0.16666666666667 0.83333333333333 0.16666666666667 114.818 > 97 108 In 0.66666666666667 0.83333333333333 0.16666666666667 114.818 > 97 109 In 0.33333333333333 0.16666666666667 0.33333333333333 114.818 > 101 110 In 0.83333333333333 0.16666666666667 0.33333333333333 114.818 > 101 111 In 0.33333333333333 0.66666666666667 0.33333333333333 114.818 > 101 112 In 0.83333333333333 0.66666666666667 0.33333333333333 114.818 > 101 113 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 97 114 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 > 97 115 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 97 116 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 > 97 117 In 0.16666666666667 0.33333333333333 0.66666666666667 114.818 > 101 118 In 0.66666666666667 0.33333333333333 0.66666666666667 114.818 > 101 119 In 0.16666666666667 0.83333333333333 0.66666666666667 114.818 > 101 120 In 0.66666666666667 0.83333333333333 0.66666666666667 114.818 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8646000 -0.0000000 0.0000000 -0.0000000 3.8646000 0.0000000 0.0000000 0.0000000 3.3469592 -------------------------- Born effective charges -------------------------- 1 B 2.8933121 -0.0000000 0.0000000 0.0000000 2.8933121 0.0000000 0.0000000 -0.0000000 0.6565030 2 B 2.8933121 -0.0000000 0.0000000 0.0000000 2.8933121 0.0000000 0.0000000 -0.0000000 0.6565030 3 O -1.8562272 -0.4733119 -0.3209007 -0.4733119 -2.4027607 0.1852721 -0.2501067 0.1443992 -1.3678695 4 O -1.8562272 0.4733119 0.3209007 0.4733119 -2.4027607 0.1852721 0.2501067 0.1443992 -1.3678695 5 O -2.6760275 0.0000000 -0.0000000 0.0000000 -1.5829604 -0.3705442 0.0000000 -0.2887984 -1.3678695 6 O -1.8562272 -0.4733119 -0.3209007 -0.4733119 -2.4027607 0.1852721 -0.2501067 0.1443992 -1.3678695 7 O -1.8562272 0.4733119 0.3209007 0.4733119 -2.4027607 0.1852721 0.2501067 0.1443992 -1.3678695 8 O -2.6760275 0.0000000 -0.0000000 0.0000000 -1.5829604 -0.3705442 0.0000000 -0.2887984 -1.3678695 9 In 3.4951698 -0.0570768 0.0000000 0.0570768 3.4951698 0.0000000 0.0000000 -0.0000000 3.4471055 10 In 3.4951698 0.0570768 0.0000000 -0.0570768 3.4951698 0.0000000 0.0000000 -0.0000000 3.4471055 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: -0.00000010 (xyy) -0.00000010 (xyy) -0.00000010 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (yx) 0.00000003 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:12:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:12:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [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-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.428191724760748 1.401917145934637 5.147941476666661 b -2.428191724760743 1.401917145934637 5.147941476666661 c 0.000000000000003 -2.803834291869277 5.147941476666661 Atomic positions (fractional): 1 B 0.25000000000000 0.25000000000000 0.25000000000000 10.811 2 B 0.75000000000000 0.75000000000000 0.75000000000000 10.811 3 O 0.03467036352348 0.75000000000000 0.46532963647652 15.999 4 O 0.75000000000000 0.46532963647653 0.03467036352348 15.999 5 O 0.46532963647652 0.03467036352348 0.75000000000000 15.999 6 O 0.96532963647652 0.25000000000000 0.53467036352348 15.999 7 O 0.25000000000000 0.53467036352348 0.96532963647652 15.999 8 O 0.53467036352348 0.96532963647653 0.25000000000000 15.999 9 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 10 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.712766899042983 0.000000000000000 0.000000000000000 b -4.856383449521492 8.411502875607828 0.000000000000000 c 0.000000000000000 0.000000000000000 15.443824429999999 Atomic positions (fractional): 1 B 0.16666666666667 0.33333333333333 0.91666666666667 10.811 > 1 2 B 0.66666666666667 0.33333333333333 0.91666666666667 10.811 > 1 3 B 0.16666666666667 0.83333333333333 0.91666666666667 10.811 > 1 4 B 0.66666666666667 0.83333333333333 0.91666666666667 10.811 > 1 5 B 0.00000000000000 0.00000000000000 0.75000000000000 10.811 > 5 6 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 5 7 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 5 8 B 0.50000000000000 0.50000000000000 0.75000000000000 10.811 > 5 9 B 0.00000000000000 0.00000000000000 0.25000000000000 10.811 > 1 10 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 1 11 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 1 12 B 0.50000000000000 0.50000000000000 0.25000000000000 10.811 > 1 13 B 0.33333333333333 0.16666666666667 0.08333333333333 10.811 > 5 14 B 0.83333333333333 0.16666666666667 0.08333333333333 10.811 > 5 15 B 0.33333333333333 0.66666666666667 0.08333333333333 10.811 > 5 16 B 0.83333333333333 0.66666666666667 0.08333333333333 10.811 > 5 17 B 0.33333333333333 0.16666666666667 0.58333333333333 10.811 > 1 18 B 0.83333333333333 0.16666666666667 0.58333333333333 10.811 > 1 19 B 0.33333333333333 0.66666666666667 0.58333333333333 10.811 > 1 20 B 0.83333333333333 0.66666666666667 0.58333333333333 10.811 > 1 21 B 0.16666666666667 0.33333333333333 0.41666666666667 10.811 > 5 22 B 0.66666666666667 0.33333333333333 0.41666666666667 10.811 > 5 23 B 0.16666666666667 0.83333333333333 0.41666666666667 10.811 > 5 24 B 0.66666666666667 0.83333333333333 0.41666666666667 10.811 > 5 25 O 0.14233518176174 0.14233518176174 0.75000000000000 15.999 > 25 26 O 0.64233518176174 0.14233518176174 0.75000000000000 15.999 > 25 27 O 0.14233518176174 0.64233518176174 0.75000000000000 15.999 > 25 28 O 0.64233518176174 0.64233518176174 0.75000000000000 15.999 > 25 29 O 0.00000000000000 0.35766481823826 0.75000000000000 15.999 > 29 30 O 0.50000000000000 0.35766481823826 0.75000000000000 15.999 > 29 31 O 0.00000000000000 0.85766481823826 0.75000000000000 15.999 > 29 32 O 0.50000000000000 0.85766481823826 0.75000000000000 15.999 > 29 33 O 0.35766481823826 0.00000000000000 0.75000000000000 15.999 > 33 34 O 0.85766481823826 0.00000000000000 0.75000000000000 15.999 > 33 35 O 0.35766481823826 0.50000000000000 0.75000000000000 15.999 > 33 36 O 0.85766481823826 0.50000000000000 0.75000000000000 15.999 > 33 37 O 0.02433148490493 0.19099815157160 0.91666666666667 15.999 > 37 38 O 0.52433148490493 0.19099815157160 0.91666666666667 15.999 > 37 39 O 0.02433148490493 0.69099815157160 0.91666666666667 15.999 > 37 40 O 0.52433148490493 0.69099815157160 0.91666666666667 15.999 > 37 41 O 0.16666666666667 0.47566851509507 0.91666666666667 15.999 > 41 42 O 0.66666666666667 0.47566851509507 0.91666666666667 15.999 > 41 43 O 0.16666666666667 0.97566851509507 0.91666666666667 15.999 > 41 44 O 0.66666666666667 0.97566851509507 0.91666666666667 15.999 > 41 45 O 0.30900184842840 0.33333333333333 0.91666666666667 15.999 > 45 46 O 0.80900184842840 0.33333333333333 0.91666666666667 15.999 > 45 47 O 0.30900184842840 0.83333333333333 0.91666666666667 15.999 > 45 48 O 0.80900184842840 0.83333333333333 0.91666666666667 15.999 > 45 49 O 0.47566851509507 0.30900184842840 0.08333333333333 15.999 > 25 50 O 0.97566851509507 0.30900184842840 0.08333333333333 15.999 > 25 51 O 0.47566851509507 0.80900184842840 0.08333333333333 15.999 > 25 52 O 0.97566851509507 0.80900184842840 0.08333333333333 15.999 > 25 53 O 0.33333333333333 0.02433148490493 0.08333333333333 15.999 > 29 54 O 0.83333333333333 0.02433148490493 0.08333333333333 15.999 > 29 55 O 0.33333333333333 0.52433148490493 0.08333333333333 15.999 > 29 56 O 0.83333333333333 0.52433148490493 0.08333333333333 15.999 > 29 57 O 0.19099815157160 0.16666666666667 0.08333333333333 15.999 > 33 58 O 0.69099815157160 0.16666666666667 0.08333333333333 15.999 > 33 59 O 0.19099815157160 0.66666666666667 0.08333333333333 15.999 > 33 60 O 0.69099815157160 0.66666666666667 0.08333333333333 15.999 > 33 61 O 0.35766481823826 0.35766481823826 0.25000000000000 15.999 > 37 62 O 0.85766481823826 0.35766481823826 0.25000000000000 15.999 > 37 63 O 0.35766481823826 0.85766481823826 0.25000000000000 15.999 > 37 64 O 0.85766481823826 0.85766481823826 0.25000000000000 15.999 > 37 65 O 0.00000000000000 0.14233518176174 0.25000000000000 15.999 > 41 66 O 0.50000000000000 0.14233518176174 0.25000000000000 15.999 > 41 67 O 0.00000000000000 0.64233518176174 0.25000000000000 15.999 > 41 68 O 0.50000000000000 0.64233518176174 0.25000000000000 15.999 > 41 69 O 0.14233518176174 0.00000000000000 0.25000000000000 15.999 > 45 70 O 0.64233518176174 0.00000000000000 0.25000000000000 15.999 > 45 71 O 0.14233518176174 0.50000000000000 0.25000000000000 15.999 > 45 72 O 0.64233518176174 0.50000000000000 0.25000000000000 15.999 > 45 73 O 0.30900184842840 0.47566851509507 0.41666666666667 15.999 > 25 74 O 0.80900184842840 0.47566851509507 0.41666666666667 15.999 > 25 75 O 0.30900184842840 0.97566851509507 0.41666666666667 15.999 > 25 76 O 0.80900184842840 0.97566851509507 0.41666666666667 15.999 > 25 77 O 0.16666666666667 0.19099815157160 0.41666666666667 15.999 > 29 78 O 0.66666666666667 0.19099815157160 0.41666666666667 15.999 > 29 79 O 0.16666666666667 0.69099815157160 0.41666666666667 15.999 > 29 80 O 0.66666666666667 0.69099815157160 0.41666666666667 15.999 > 29 81 O 0.02433148490493 0.33333333333333 0.41666666666667 15.999 > 33 82 O 0.52433148490493 0.33333333333333 0.41666666666667 15.999 > 33 83 O 0.02433148490493 0.83333333333333 0.41666666666667 15.999 > 33 84 O 0.52433148490493 0.83333333333333 0.41666666666667 15.999 > 33 85 O 0.19099815157160 0.02433148490493 0.58333333333333 15.999 > 37 86 O 0.69099815157160 0.02433148490493 0.58333333333333 15.999 > 37 87 O 0.19099815157160 0.52433148490493 0.58333333333333 15.999 > 37 88 O 0.69099815157160 0.52433148490493 0.58333333333333 15.999 > 37 89 O 0.33333333333333 0.30900184842840 0.58333333333333 15.999 > 41 90 O 0.83333333333333 0.30900184842840 0.58333333333333 15.999 > 41 91 O 0.33333333333333 0.80900184842840 0.58333333333333 15.999 > 41 92 O 0.83333333333333 0.80900184842840 0.58333333333333 15.999 > 41 93 O 0.47566851509507 0.16666666666667 0.58333333333333 15.999 > 45 94 O 0.97566851509507 0.16666666666667 0.58333333333333 15.999 > 45 95 O 0.47566851509507 0.66666666666667 0.58333333333333 15.999 > 45 96 O 0.97566851509507 0.66666666666667 0.58333333333333 15.999 > 45 97 In 0.33333333333333 0.16666666666667 0.83333333333333 114.818 > 97 98 In 0.83333333333333 0.16666666666667 0.83333333333333 114.818 > 97 99 In 0.33333333333333 0.66666666666667 0.83333333333333 114.818 > 97 100 In 0.83333333333333 0.66666666666667 0.83333333333333 114.818 > 97 101 In 0.00000000000000 0.00000000000000 0.00000000000000 114.818 > 101 102 In 0.50000000000000 0.00000000000000 0.00000000000000 114.818 > 101 103 In 0.00000000000000 0.50000000000000 0.00000000000000 114.818 > 101 104 In 0.50000000000000 0.50000000000000 0.00000000000000 114.818 > 101 105 In 0.16666666666667 0.33333333333333 0.16666666666667 114.818 > 97 106 In 0.66666666666667 0.33333333333333 0.16666666666667 114.818 > 97 107 In 0.16666666666667 0.83333333333333 0.16666666666667 114.818 > 97 108 In 0.66666666666667 0.83333333333333 0.16666666666667 114.818 > 97 109 In 0.33333333333333 0.16666666666667 0.33333333333333 114.818 > 101 110 In 0.83333333333333 0.16666666666667 0.33333333333333 114.818 > 101 111 In 0.33333333333333 0.66666666666667 0.33333333333333 114.818 > 101 112 In 0.83333333333333 0.66666666666667 0.33333333333333 114.818 > 101 113 In 0.00000000000000 0.00000000000000 0.50000000000000 114.818 > 97 114 In 0.50000000000000 0.00000000000000 0.50000000000000 114.818 > 97 115 In 0.00000000000000 0.50000000000000 0.50000000000000 114.818 > 97 116 In 0.50000000000000 0.50000000000000 0.50000000000000 114.818 > 97 117 In 0.16666666666667 0.33333333333333 0.66666666666667 114.818 > 101 118 In 0.66666666666667 0.33333333333333 0.66666666666667 114.818 > 101 119 In 0.16666666666667 0.83333333333333 0.66666666666667 114.818 > 101 120 In 0.66666666666667 0.83333333333333 0.66666666666667 114.818 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8646000 -0.0000000 0.0000000 -0.0000000 3.8646000 0.0000000 0.0000000 0.0000000 3.3469592 -------------------------- Born effective charges -------------------------- 1 B 2.8933121 -0.0000000 0.0000000 0.0000000 2.8933121 0.0000000 0.0000000 -0.0000000 0.6565030 2 B 2.8933121 -0.0000000 0.0000000 0.0000000 2.8933121 0.0000000 0.0000000 -0.0000000 0.6565030 3 O -1.8562272 -0.4733119 -0.3209007 -0.4733119 -2.4027607 0.1852721 -0.2501067 0.1443992 -1.3678695 4 O -1.8562272 0.4733119 0.3209007 0.4733119 -2.4027607 0.1852721 0.2501067 0.1443992 -1.3678695 5 O -2.6760275 0.0000000 -0.0000000 0.0000000 -1.5829604 -0.3705442 0.0000000 -0.2887984 -1.3678695 6 O -1.8562272 -0.4733119 -0.3209007 -0.4733119 -2.4027607 0.1852721 -0.2501067 0.1443992 -1.3678695 7 O -1.8562272 0.4733119 0.3209007 0.4733119 -2.4027607 0.1852721 0.2501067 0.1443992 -1.3678695 8 O -2.6760275 0.0000000 -0.0000000 0.0000000 -1.5829604 -0.3705442 0.0000000 -0.2887984 -1.3678695 9 In 3.4951698 -0.0570768 0.0000000 0.0570768 3.4951698 0.0000000 0.0000000 -0.0000000 3.4471055 10 In 3.4951698 0.0570768 0.0000000 -0.0570768 3.4951698 0.0000000 0.0000000 -0.0000000 3.4471055 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000010 (xyy) -0.00000010 (xyy) -0.00000010 (xyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 12 ] 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: 0.88, Number of G-points: 309, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/189) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 189 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 4.482 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.406 ( 0.000 0.000 0.000) 0.000 10.406 ( 0.000 0.000 0.000) 0.000 12.167 ( 0.000 0.000 0.000) 0.000 13.953 ( 0.000 0.000 0.000) 0.000 18.466 ( 0.000 0.000 0.000) 0.000 18.466 ( 0.000 0.000 0.000) 0.000 19.202 ( 0.000 0.000 0.000) 0.000 19.202 ( 0.000 0.000 0.000) 0.000 20.487 ( 0.000 0.000 0.000) 0.000 21.116 ( 0.000 0.000 0.000) 0.000 27.411 ( 0.000 0.000 0.000) 0.000 27.633 ( 0.000 0.000 0.000) 0.000 36.699 ( 0.000 0.000 0.000) 0.000 36.699 ( 0.000 0.000 0.000) 0.000 36.753 ( 0.000 0.000 0.000) 0.000 36.753 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/189) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 28.357 16.372 0.162) 32.744 0.736 ( 33.195 19.165 -4.579) 38.603 1.575 ( 62.076 35.840 20.490) 74.551 4.412 ( -4.628 -2.672 -4.570) 7.031 4.685 ( 2.736 1.580 -12.484) 12.878 5.122 ( -8.261 -4.770 35.130) 36.402 6.064 ( -7.168 -4.139 -6.895) 10.773 6.577 ( -9.030 -5.214 1.996) 10.617 6.797 ( -4.241 -2.449 9.627) 10.801 7.133 ( 16.581 9.573 0.628) 19.157 7.168 ( 11.608 6.702 0.747) 13.425 8.433 ( -2.478 -1.431 -0.811) 2.974 10.245 ( -4.804 -2.774 2.847) 6.235 10.446 ( 3.722 2.149 -1.796) 4.658 10.640 ( 13.836 7.988 -4.415) 16.575 11.925 ( 10.484 6.053 -48.865) 50.343 12.351 ( -23.338 -13.474 35.561) 44.618 13.881 ( -6.019 -3.475 -0.804) 6.997 18.417 ( -3.958 -2.285 -0.641) 4.615 18.518 ( 3.646 2.105 1.834) 4.592 19.169 ( -2.299 -1.327 -2.264) 3.488 19.462 ( -0.463 -0.267 -11.959) 11.971 20.600 ( -7.726 -4.460 35.158) 36.272 21.109 ( -0.789 -0.456 0.778) 1.199 27.427 ( 1.464 0.845 -0.296) 1.716 27.620 ( -1.030 -0.594 -0.163) 1.200 36.653 ( -0.454 -0.262 2.677) 2.728 36.741 ( 4.236 2.445 -2.576) 5.528 36.953 ( 12.444 7.185 2.327) 14.557 40.601 ( 14.031 8.101 -81.224) 82.824 ======================= Grid point 2 (3/189) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 28.706 16.574 1.268) 33.171 1.466 ( 32.448 18.734 -3.612) 37.642 3.009 ( 53.514 30.896 14.828) 63.547 4.253 ( -5.575 -3.219 -7.390) 9.800 4.685 ( 0.914 0.527 -1.771) 2.062 5.123 ( -4.296 -2.480 18.731) 19.376 5.799 ( -11.713 -6.763 -11.003) 17.436 6.363 ( -11.324 -6.538 6.117) 14.436 6.812 ( 0.256 0.148 12.541) 12.545 7.467 ( 13.068 7.545 2.700) 15.329 7.534 ( 17.772 10.261 -3.992) 20.906 8.350 ( -4.091 -2.362 -1.215) 4.878 10.199 ( -0.379 -0.219 1.603) 1.662 10.539 ( 5.240 3.026 -4.135) 7.329 10.971 ( 16.799 9.699 -4.216) 19.851 11.809 ( -18.945 -10.938 10.185) 24.131 11.991 ( -4.200 -2.425 -12.272) 13.195 13.674 ( -11.247 -6.493 -2.080) 13.152 18.293 ( -6.056 -3.497 -0.993) 7.063 18.618 ( 3.052 1.762 2.726) 4.456 19.082 ( -3.466 -2.001 -3.997) 5.656 19.363 ( -3.886 -2.244 -4.174) 6.128 20.619 ( -2.683 -1.549 15.994) 16.292 21.087 ( -1.571 -0.907 1.153) 2.150 27.470 ( 2.330 1.345 -0.563) 2.749 27.589 ( -1.380 -0.797 -0.313) 1.624 36.714 ( 3.729 2.153 4.616) 6.313 36.855 ( 7.219 4.168 -4.925) 9.682 37.315 ( 16.979 9.803 5.420) 20.341 40.433 ( 0.740 0.427 -43.043) 43.051 ======================= Grid point 3 (4/189) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 28.539 16.477 2.982) 33.089 2.174 ( 30.622 17.679 -2.220) 35.428 4.068 ( 30.448 17.579 2.157) 35.225 4.118 ( -1.834 -1.059 -7.414) 7.711 4.749 ( 6.281 3.626 3.505) 8.055 5.149 ( -0.499 -0.288 16.723) 16.733 5.421 ( -15.401 -8.892 -11.595) 21.229 6.129 ( -12.691 -7.327 8.675) 17.030 6.932 ( 3.502 2.022 14.520) 15.073 7.765 ( 10.626 6.135 4.557) 13.089 7.846 ( 11.962 6.906 -11.163) 17.760 8.252 ( -3.420 -1.974 -0.401) 3.969 10.235 ( 2.729 1.575 0.743) 3.237 10.609 ( 2.230 1.287 -4.067) 4.814 11.326 ( -22.438 -12.955 11.669) 28.416 11.336 ( 16.107 9.299 -4.389) 19.109 11.979 ( 4.344 2.508 -7.234) 8.803 13.357 ( -14.737 -8.508 -3.618) 17.397 18.150 ( -5.530 -3.193 -1.107) 6.481 18.643 ( -2.746 -1.585 2.285) 3.908 18.986 ( -2.446 -1.412 -4.699) 5.483 19.265 ( -3.137 -1.811 -0.572) 3.668 20.650 ( -0.439 -0.253 8.879) 8.894 21.049 ( -2.314 -1.336 0.970) 2.843 27.521 ( 2.243 1.295 -0.757) 2.698 27.559 ( -0.951 -0.549 -0.392) 1.166 36.855 ( 5.597 3.232 6.267) 9.003 37.004 ( 8.163 4.713 -6.852) 11.653 37.768 ( 18.829 10.871 8.703) 23.419 40.181 ( -5.144 -2.970 -30.874) 31.441 ======================= Grid point 4 (5/189) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 27.085 15.638 5.448) 31.747 2.835 ( 27.756 16.025 -0.926) 32.063 4.113 ( 4.441 2.564 -6.283) 8.110 4.347 ( -0.533 -0.308 -0.694) 0.927 4.947 ( 7.565 4.368 -7.797) 11.709 5.004 ( -15.636 -9.027 -6.814) 19.297 5.355 ( 7.538 4.352 17.716) 19.738 5.873 ( -13.665 -7.890 8.185) 17.776 7.114 ( 5.005 2.890 16.062) 17.070 7.918 ( 0.926 0.535 -15.535) 15.572 7.977 ( 5.477 3.162 5.150) 8.155 8.224 ( 1.295 0.748 -1.928) 2.440 10.325 ( 4.683 2.704 0.621) 5.443 10.628 ( 1.228 0.709 6.566) 6.718 10.991 ( -10.891 -6.288 2.807) 12.885 11.600 ( 8.223 4.747 -7.375) 12.022 12.092 ( 7.136 4.120 -0.541) 8.258 12.989 ( -14.737 -8.508 -3.796) 17.434 18.048 ( -2.479 -1.432 -1.162) 3.090 18.519 ( -8.256 -4.767 1.406) 9.637 18.937 ( 0.568 0.328 -4.296) 4.346 19.210 ( -2.434 -1.405 1.563) 3.216 20.696 ( 1.213 0.701 5.019) 5.211 20.992 ( -2.945 -1.700 0.353) 3.419 27.545 ( -0.142 -0.082 -0.320) 0.360 27.558 ( 1.324 0.764 -0.809) 1.729 37.019 ( 5.108 2.949 7.617) 9.634 37.140 ( 6.976 4.028 -8.216) 11.506 38.251 ( 18.207 10.512 11.926) 24.171 39.873 ( -8.512 -4.914 -24.816) 26.692 ======================= Grid point 5 (6/189) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.255 ( 23.700 13.683 9.093) 28.837 3.423 ( 23.744 13.709 -1.016) 27.436 4.143 ( -2.618 -1.511 -13.566) 13.899 4.211 ( -10.658 -6.154 1.971) 12.464 4.751 ( -2.803 -1.618 11.205) 11.663 5.042 ( 7.371 4.256 -18.336) 20.215 5.449 ( -6.425 -3.709 10.105) 12.536 5.604 ( -12.228 -7.060 3.930) 14.657 7.335 ( 6.289 3.631 17.800) 19.224 7.786 ( -4.123 -2.381 -15.853) 16.553 8.094 ( 2.842 1.641 6.078) 6.907 8.233 ( 0.645 0.373 -6.100) 6.145 10.454 ( 6.111 3.528 1.245) 7.165 10.791 ( -7.295 -4.212 2.659) 8.833 10.827 ( 10.271 5.930 12.161) 16.987 11.571 ( -6.045 -3.490 -14.332) 15.941 12.280 ( 8.790 5.075 0.593) 10.167 12.685 ( -10.268 -5.928 -1.077) 11.906 18.037 ( 2.227 1.286 -1.148) 2.816 18.318 ( -9.204 -5.314 1.071) 10.682 18.968 ( 3.714 2.144 -3.397) 5.471 19.149 ( -4.018 -2.320 2.330) 5.192 20.760 ( 2.510 1.449 2.786) 4.020 20.919 ( -3.322 -1.918 -0.480) 3.866 27.548 ( 0.505 0.291 -0.061) 0.586 27.571 ( 0.167 0.097 -0.654) 0.682 37.156 ( 2.770 1.599 8.579) 9.156 37.223 ( 4.181 2.414 -8.947) 10.166 38.717 ( 16.054 9.269 14.949) 23.815 39.526 ( -10.969 -6.333 -20.916) 24.452 ======================= Grid point 6 (7/189) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.795 ( -16.562 -9.562 -14.620) 24.073 3.795 ( 16.562 9.562 14.620) 24.073 3.897 ( -16.652 -9.614 1.244) 19.268 3.897 ( 16.652 9.614 -1.244) 19.268 4.963 ( -5.739 -3.314 -25.908) 26.742 4.963 ( 5.739 3.314 25.908) 26.742 5.397 ( -3.045 -1.758 -7.517) 8.299 5.397 ( 3.045 1.758 7.517) 8.299 7.577 ( -6.062 -3.500 -17.424) 18.778 7.577 ( 6.062 3.500 17.424) 18.778 8.183 ( -1.660 -0.958 -7.001) 7.258 8.183 ( 1.660 0.958 7.001) 7.258 10.615 ( -7.062 -4.077 -2.082) 8.416 10.615 ( 7.062 4.077 2.082) 8.416 11.226 ( -14.106 -8.144 -18.799) 24.874 11.226 ( 14.106 8.144 18.799) 24.874 12.480 ( -8.424 -4.864 0.133) 9.728 12.480 ( 8.424 4.864 -0.133) 9.728 18.136 ( -6.731 -3.886 1.065) 7.845 18.136 ( 6.731 3.886 -1.065) 7.845 19.056 ( -5.008 -2.891 2.715) 6.388 19.056 ( 5.008 2.891 -2.715) 6.388 20.838 ( -3.234 -1.867 -1.450) 4.006 20.838 ( 3.234 1.867 1.450) 4.006 27.563 ( -0.547 -0.316 -0.317) 0.707 27.563 ( 0.547 0.316 0.317) 0.707 37.230 ( 0.625 0.361 -9.049) 9.078 37.230 ( -0.625 -0.361 9.049) 9.078 39.143 ( -13.433 -7.755 -17.839) 23.639 39.143 ( 13.433 7.755 17.839) 23.639 ======================= Grid point 14 (8/189) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 33.730 9.164) 34.953 0.982 ( 0.000 35.958 23.101) 42.739 1.538 ( 0.000 65.101 19.523) 67.965 4.474 ( -0.000 -2.701 3.018) 4.050 4.556 ( 0.000 2.882 -15.852) 16.112 5.316 ( -0.000 -21.209 37.443) 43.033 6.154 ( -0.000 -3.765 3.430) 5.093 6.527 ( -0.000 -13.698 -3.410) 14.116 6.718 ( -0.000 -8.993 2.899) 9.448 7.114 ( 0.000 20.327 -1.713) 20.399 7.196 ( 0.000 9.713 2.748) 10.095 8.425 ( -0.000 -3.001 -1.789) 3.494 10.209 ( -0.000 -3.911 -1.490) 4.185 10.448 ( 0.000 4.805 -0.964) 4.901 10.709 ( 0.000 15.891 3.894) 16.361 11.538 ( 0.000 15.299 -46.135) 48.606 12.685 ( -0.000 -19.263 28.483) 34.385 13.876 ( -0.000 -6.912 -1.491) 7.071 18.440 ( -0.000 -3.709 2.229) 4.327 18.489 ( 0.000 2.833 -1.259) 3.100 19.194 ( -0.000 -1.254 0.820) 1.498 19.343 ( 0.000 1.312 -17.090) 17.140 20.821 ( -0.000 -26.147 45.997) 52.910 21.115 ( -0.000 -0.977 1.542) 1.825 27.425 ( 0.000 1.643 -0.439) 1.700 27.619 ( -0.000 -1.161 -0.297) 1.198 36.615 ( -0.000 -1.774 -1.938) 2.628 36.781 ( 0.000 6.847 2.300) 7.223 36.910 ( 0.000 11.657 -2.894) 12.010 40.089 ( 0.000 59.811 -113.864) 128.617 ======================= Grid point 15 (9/189) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 6.166 27.466 15.394) 32.084 1.450 ( 7.779 39.690 4.900) 40.741 2.688 ( 38.964 48.718 18.903) 65.184 4.295 ( -9.099 -3.963 -6.082) 11.640 4.620 ( 6.113 -0.175 -4.542) 7.618 5.268 ( -4.073 -9.383 22.348) 24.577 5.928 ( -15.489 -3.306 -5.277) 16.694 6.336 ( -1.126 -16.871 3.648) 17.298 6.938 ( 15.003 -7.413 7.646) 18.399 7.145 ( 0.243 13.974 0.387) 13.981 7.527 ( 11.196 17.773 -3.366) 21.273 8.359 ( -1.924 -4.101 -2.464) 5.157 10.142 ( -1.553 -3.216 1.718) 3.964 10.634 ( 7.043 11.525 -2.648) 13.764 10.836 ( 1.040 15.160 -1.694) 15.290 11.595 ( 15.019 -3.702 -19.453) 24.853 12.361 ( -27.964 -12.135 17.360) 35.080 13.730 ( -5.944 -9.795 -2.580) 11.744 18.402 ( -5.715 -0.368 -0.658) 5.765 18.530 ( 5.711 -1.392 2.437) 6.363 19.115 ( -4.762 -1.741 -3.346) 6.075 19.300 ( 2.440 -4.544 -8.501) 9.943 20.754 ( -4.955 -10.542 23.745) 26.448 21.105 ( -0.870 -1.523 1.880) 2.571 27.452 ( 1.217 2.109 -0.670) 2.525 27.597 ( -0.748 -1.181 -0.419) 1.460 36.630 ( 4.094 -0.067 0.086) 4.095 36.904 ( 0.554 11.730 -0.368) 11.749 37.141 ( 14.838 9.970 0.269) 17.878 40.139 ( 6.720 21.658 -63.299) 67.238 ======================= Grid point 16 (10/189) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 17.782 21.559 10.361) 29.805 2.048 ( 16.476 33.167 1.620) 37.070 3.801 ( 30.094 30.978 8.867) 44.090 4.087 ( -3.615 -4.685 -7.818) 9.806 4.712 ( 5.703 3.224 -0.399) 6.563 5.250 ( -2.231 -4.403 16.281) 17.013 5.573 ( -16.352 -5.099 -5.794) 18.082 6.175 ( -2.550 -15.798 6.685) 17.343 7.062 ( -0.994 5.764 11.332) 12.752 7.431 ( 19.117 -0.153 -0.435) 19.123 7.830 ( 7.074 15.301 -6.834) 18.189 8.269 ( -2.109 -3.389 -1.837) 4.394 10.135 ( 2.667 -2.845 3.336) 5.132 10.752 ( -4.954 15.528 -5.584) 17.229 11.114 ( 15.649 8.582 -2.596) 18.036 11.682 ( -3.061 -8.832 4.668) 10.449 11.845 ( -14.883 -5.328 1.747) 15.904 13.458 ( -10.841 -11.485 -4.116) 16.321 18.265 ( -8.795 0.412 -0.719) 8.834 18.616 ( 3.904 -3.650 2.510) 5.904 18.998 ( -3.466 -2.119 -4.638) 6.165 19.234 ( 0.268 -5.556 -3.971) 6.834 20.718 ( -2.428 -4.185 12.777) 13.662 21.075 ( -1.746 -2.003 1.608) 3.106 27.494 ( 1.665 1.614 -0.760) 2.440 27.573 ( -0.803 -0.119 -0.562) 0.987 36.748 ( 7.999 1.010 1.652) 8.230 37.028 ( 0.488 13.037 -2.186) 13.228 37.566 ( 20.647 9.758 4.368) 23.251 40.037 ( -1.085 6.071 -40.768) 41.232 ======================= Grid point 17 (11/189) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 24.786 16.843 5.853) 30.533 2.661 ( 18.946 25.642 3.023) 32.026 3.948 ( 2.984 -7.103 -6.874) 10.325 4.368 ( 6.890 11.558 -2.367) 13.662 4.882 ( 5.278 7.917 -3.341) 10.084 5.117 ( -12.002 -9.422 -6.125) 16.442 5.444 ( 0.738 6.234 20.383) 21.328 5.995 ( -6.520 -13.190 8.176) 16.832 7.190 ( 1.506 6.105 12.684) 14.157 7.692 ( 12.943 -2.792 -5.725) 14.425 7.974 ( 2.117 6.424 -5.912) 8.983 8.232 ( -0.153 1.854 -1.477) 2.375 10.213 ( 6.023 -1.244 5.167) 8.032 10.766 ( -4.047 10.295 -3.976) 11.755 11.209 ( -18.232 -9.207 13.257) 24.350 11.482 ( 6.846 8.311 -5.611) 12.142 11.933 ( 11.999 -0.150 -1.889) 12.148 13.109 ( -12.975 -11.162 -4.997) 17.830 18.128 ( -7.051 1.034 -0.526) 7.145 18.585 ( -3.569 -5.104 1.109) 6.326 18.917 ( -1.294 -0.899 -4.067) 4.362 19.181 ( 1.555 -5.473 -0.985) 5.774 20.720 ( -0.352 -1.345 7.081) 7.216 21.023 ( -2.532 -2.329 0.865) 3.548 27.523 ( 1.083 0.035 -0.440) 1.169 27.569 ( -0.190 1.877 -0.853) 2.070 36.923 ( 8.985 1.886 2.005) 9.397 37.147 ( 0.579 11.098 -2.178) 11.325 38.062 ( 21.723 9.338 7.643) 24.850 39.809 ( -5.851 -0.530 -30.199) 30.765 ======================= Grid point 18 (12/189) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 27.611 13.021 2.677) 30.645 3.222 ( 18.469 17.210 5.459) 25.828 3.925 ( 6.978 -10.794 -6.729) 14.507 4.384 ( -10.185 -0.208 -3.775) 10.864 4.874 ( -3.560 2.163 -0.063) 4.166 4.959 ( 0.529 7.599 -10.474) 12.951 5.584 ( -3.988 -0.856 14.198) 14.773 5.779 ( -11.163 -8.895 8.602) 16.665 7.373 ( 4.816 5.219 13.751) 15.476 7.715 ( 0.126 -2.154 -14.580) 14.739 8.059 ( 5.036 1.459 3.251) 6.169 8.238 ( -1.498 3.345 -4.297) 5.648 10.360 ( 7.381 0.503 5.478) 9.205 10.802 ( -0.243 -0.396 -1.011) 1.113 10.961 ( -8.216 2.285 16.317) 18.411 11.557 ( -1.964 1.119 -12.148) 12.357 12.145 ( 11.470 2.706 -0.540) 11.797 12.783 ( -10.218 -8.013 -3.121) 13.355 18.058 ( -2.631 2.873 -0.459) 3.923 18.430 ( -8.348 -4.750 0.624) 9.625 18.902 ( 2.501 0.228 -3.596) 4.387 19.148 ( 0.530 -5.751 0.850) 5.838 20.754 ( 1.366 0.303 3.849) 4.095 20.952 ( -3.135 -2.449 -0.047) 3.979 27.538 ( 0.873 0.361 -0.054) 0.946 27.580 ( -0.405 1.656 -0.868) 1.913 37.095 ( 7.029 2.872 -0.134) 7.594 37.236 ( -0.244 6.969 0.518) 6.993 38.562 ( 20.486 8.092 10.308) 24.319 39.513 ( -8.700 -4.068 -23.995) 25.846 ======================= Grid point 19 (13/189) ======================= q-point: ( 0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( 25.820 6.295 -3.860) 26.855 3.683 ( 15.817 9.044 10.037) 20.801 3.831 ( -0.851 -11.044 -8.263) 13.819 4.036 ( -17.325 -13.254 -0.791) 21.827 4.949 ( -3.272 10.528 -21.781) 24.412 5.055 ( 7.917 15.782 7.221) 19.076 5.480 ( -8.867 -6.681 12.641) 16.824 5.531 ( -12.760 -5.769 9.586) 16.970 7.532 ( -1.607 -1.364 -14.967) 15.114 7.613 ( 2.409 3.324 10.653) 11.417 8.180 ( 0.711 1.918 -0.042) 2.046 8.200 ( 0.094 1.394 1.271) 1.888 10.518 ( 7.870 -0.043 4.239) 8.939 10.659 ( -6.049 -7.955 1.016) 10.045 11.207 ( 9.926 10.774 17.222) 22.610 11.308 ( -13.247 -4.157 -16.755) 21.760 12.361 ( 10.216 3.721 -1.129) 10.931 12.562 ( -7.556 -5.828 -0.945) 9.589 18.095 ( 2.547 5.182 -0.553) 5.801 18.244 ( -8.536 -2.974 0.813) 9.076 18.960 ( 5.540 0.400 -3.165) 6.393 19.086 ( -1.787 -5.724 1.731) 6.241 20.812 ( 2.609 1.167 2.009) 3.493 20.869 ( -3.440 -2.331 -0.912) 4.255 27.561 ( 0.767 1.124 0.311) 1.396 27.575 ( -0.995 0.679 -0.583) 1.338 37.188 ( 1.449 3.727 -7.010) 8.070 37.294 ( -0.324 2.050 8.022) 8.286 39.024 ( 17.513 5.839 9.889) 20.942 39.178 ( -10.315 -5.643 -17.027) 20.692 ======================= Grid point 20 (14/189) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.440 ( -18.015 -11.295 -11.439) 24.145 3.596 ( -13.686 -18.744 -1.245) 23.242 3.909 ( 13.386 -6.001 -0.384) 14.675 4.140 ( 17.797 9.478 12.136) 23.534 4.818 ( -9.179 13.623 -19.645) 25.608 5.268 ( -9.578 -5.662 3.839) 11.770 5.389 ( 3.009 11.739 12.669) 17.532 5.509 ( 4.848 1.970 6.667) 8.475 7.320 ( -6.283 -1.588 -19.370) 20.426 7.795 ( 5.193 1.302 11.315) 12.518 8.098 ( -3.895 -0.507 -5.017) 6.372 8.295 ( 0.279 2.271 7.891) 8.216 10.480 ( -5.594 -8.396 -0.497) 10.101 10.676 ( 8.201 -0.650 1.517) 8.365 10.932 ( -12.660 -1.124 -13.875) 18.816 11.580 ( 8.424 7.582 15.806) 19.449 12.359 ( -8.342 -6.805 -1.401) 10.856 12.564 ( 10.038 4.387 -0.678) 10.976 18.105 ( -5.240 -0.290 0.667) 5.291 18.235 ( 6.254 6.606 -0.198) 9.099 19.006 ( -2.287 -4.500 2.340) 5.564 19.048 ( 6.186 -0.816 -2.941) 6.898 20.781 ( -3.331 -1.978 -1.750) 4.251 20.883 ( 3.162 1.383 0.897) 3.566 27.557 ( -1.037 -0.111 -0.208) 1.063 27.585 ( 0.055 1.426 0.612) 1.553 37.151 ( -3.077 0.427 -7.215) 7.855 37.337 ( -2.782 1.523 8.796) 9.350 38.790 ( -13.160 -8.422 -16.755) 22.910 39.458 ( 15.547 5.628 15.019) 22.337 ======================= Grid point 21 (15/189) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( -25.195 -15.269 -4.765) 29.844 3.146 ( -19.717 -12.495 -3.421) 23.592 3.989 ( 7.431 -10.958 1.006) 13.278 4.464 ( 0.108 9.683 4.582) 10.713 4.879 ( 10.921 12.126 -0.527) 16.328 5.105 ( -7.405 -2.392 4.916) 9.205 5.437 ( -10.889 1.214 -0.629) 10.975 5.683 ( 9.024 3.261 -2.304) 9.868 7.114 ( -5.531 1.013 -16.744) 17.663 7.881 ( 0.857 -7.583 3.574) 8.426 8.040 ( -0.434 2.792 1.560) 3.228 8.315 ( -4.776 1.617 5.846) 7.720 10.293 ( -3.840 -9.330 -2.997) 10.525 10.711 ( -1.710 11.107 -12.719) 16.972 10.883 ( 6.230 -1.258 7.593) 9.902 11.730 ( -4.202 -0.078 9.056) 9.984 12.136 ( -7.342 -8.168 -1.683) 11.111 12.825 ( 14.384 6.013 2.002) 15.718 18.071 ( -0.861 3.092 1.148) 3.409 18.420 ( 7.615 5.635 -0.527) 9.488 18.959 ( -0.627 -2.226 3.304) 4.033 19.117 ( 5.620 -2.511 -3.153) 6.916 20.699 ( -2.815 -1.475 -2.770) 4.216 20.953 ( 3.103 1.188 0.133) 3.325 27.540 ( -0.453 -0.618 0.096) 0.773 27.593 ( -1.170 1.295 0.707) 1.883 37.029 ( -5.258 -2.859 -5.542) 8.157 37.314 ( -7.162 2.220 7.506) 10.610 38.369 ( -15.791 -9.703 -13.158) 22.730 39.845 ( 13.717 4.887 16.258) 21.826 ======================= Grid point 22 (16/189) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -27.472 -15.445 -1.961) 31.577 2.632 ( -28.112 -6.321 -0.163) 28.814 4.032 ( 6.955 -5.703 3.337) 9.594 4.432 ( -15.784 1.738 3.020) 16.164 4.933 ( -19.959 -3.342 3.537) 20.544 5.099 ( -6.209 -1.574 -11.720) 13.356 5.306 ( 16.548 10.514 7.526) 21.000 5.861 ( 13.242 -1.169 -7.427) 15.228 6.968 ( -5.524 4.852 -13.505) 15.377 7.728 ( -5.780 -13.448 -0.398) 14.643 8.100 ( -3.855 2.612 8.077) 9.323 8.236 ( -4.293 0.403 -0.727) 4.373 10.162 ( -0.067 -8.270 -0.996) 8.330 10.816 ( -2.933 17.674 -0.811) 17.935 11.057 ( 13.117 3.222 -2.716) 13.777 11.569 ( -13.915 -3.945 4.884) 15.266 11.959 ( -1.307 -10.526 1.429) 10.703 13.171 ( 16.633 5.591 2.643) 17.746 18.144 ( 2.773 6.201 1.459) 6.948 18.567 ( 4.975 1.032 -1.054) 5.189 18.981 ( 2.098 0.124 3.664) 4.224 19.171 ( 6.116 -2.474 -2.556) 7.076 20.626 ( -2.138 -0.977 -4.054) 4.686 21.013 ( 2.684 0.820 -0.346) 2.828 27.529 ( -0.190 -0.989 0.269) 1.043 27.581 ( -1.718 1.128 0.527) 2.122 36.868 ( -5.929 -4.422 -3.879) 8.352 37.221 ( -10.815 3.148 5.905) 12.718 37.922 ( -17.560 -9.898 -9.457) 22.265 40.201 ( 12.010 4.170 16.795) 21.064 ======================= Grid point 23 (17/189) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -29.109 -11.402 -0.307) 31.264 2.058 ( -34.998 -1.446 2.624) 35.126 3.709 ( -54.858 -10.333 -3.622) 55.940 4.179 ( 8.547 -1.024 3.509) 9.296 4.718 ( -3.383 1.431 -0.201) 3.679 5.025 ( 0.131 0.177 -7.539) 7.542 5.734 ( 13.143 8.912 12.212) 20.032 6.034 ( 17.351 -5.818 -10.339) 21.019 6.885 ( -4.446 8.913 -9.220) 13.573 7.442 ( -10.175 -15.219 0.659) 18.319 7.911 ( -19.515 0.811 2.872) 19.742 8.284 ( 5.499 0.775 0.051) 5.553 10.107 ( 1.877 -5.430 -0.161) 5.747 10.826 ( -13.112 12.053 2.808) 18.030 11.138 ( -9.909 -9.966 0.099) 14.054 11.546 ( 14.070 15.710 -8.007) 22.558 11.931 ( 7.841 -10.866 9.124) 16.212 13.503 ( 15.061 3.184 1.302) 15.448 18.285 ( 4.105 7.469 1.629) 8.677 18.580 ( 0.119 -4.831 -1.919) 5.200 19.059 ( 3.709 1.126 2.747) 4.750 19.269 ( 7.963 -0.581 -0.692) 8.014 20.562 ( -1.675 -0.552 -4.807) 5.120 21.058 ( 2.114 0.414 -0.419) 2.195 27.503 ( -2.063 -0.697 0.270) 2.194 27.579 ( 0.405 0.615 0.202) 0.764 36.715 ( -4.816 -3.606 -2.125) 6.380 37.079 ( -12.380 3.527 3.655) 13.381 37.487 ( -17.625 -7.791 -5.275) 19.979 40.515 ( 10.272 2.828 14.761) 18.204 ======================= Grid point 24 (18/189) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -30.347 -0.000 0.000) 30.347 1.427 ( -39.277 -0.000 0.000) 39.277 2.530 ( -69.405 -0.000 0.000) 69.405 4.340 ( 7.857 0.000 -0.000) 7.857 4.715 ( 0.731 0.000 -0.000) 0.731 5.001 ( 0.135 0.000 -0.000) 0.135 5.992 ( 7.953 0.000 -0.000) 7.953 6.285 ( 18.531 0.000 -0.000) 18.531 6.878 ( -1.300 -0.000 0.000) 1.300 7.140 ( -12.490 -0.000 0.000) 12.490 7.555 ( -22.348 -0.000 0.000) 22.348 8.380 ( 4.670 0.000 -0.000) 4.670 10.128 ( 4.313 0.000 -0.000) 4.313 10.659 ( -13.819 -0.000 0.000) 13.819 10.848 ( -14.342 -0.000 0.000) 14.342 11.874 ( 15.048 0.000 -0.000) 15.048 12.107 ( 12.347 0.000 -0.000) 12.347 13.751 ( 11.267 0.000 -0.000) 11.267 18.411 ( 3.374 0.000 -0.000) 3.374 18.508 ( -1.974 -0.000 0.000) 1.974 19.138 ( 3.420 0.000 -0.000) 3.420 19.403 ( 7.374 0.000 -0.000) 7.374 20.513 ( -1.517 -0.000 0.000) 1.517 21.090 ( 1.484 0.000 -0.000) 1.484 27.459 ( -2.455 -0.000 0.000) 2.455 27.601 ( 1.416 0.000 -0.000) 1.416 36.629 ( -1.778 -0.000 0.000) 1.778 36.907 ( -10.908 -0.000 0.000) 10.908 37.138 ( -15.668 -0.000 0.000) 15.668 40.743 ( 8.243 0.000 -0.000) 8.243 ======================= Grid point 27 (19/189) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.000 31.697 8.324) 32.772 1.901 ( 0.000 32.202 20.862) 38.370 2.955 ( 0.000 56.782 16.157) 59.036 4.411 ( 0.000 0.005 -14.024) 14.024 4.413 ( -0.000 -6.804 1.039) 6.883 5.303 ( -0.000 -9.510 16.800) 19.305 6.064 ( -0.000 -10.561 -7.223) 12.795 6.202 ( -0.000 -13.344 9.072) 16.135 6.635 ( -0.000 -5.049 7.646) 9.162 7.375 ( 0.000 8.963 -4.779) 10.157 7.576 ( 0.000 26.491 -1.297) 26.523 8.311 ( -0.000 -5.269 -3.567) 6.363 10.216 ( 0.000 3.717 3.098) 4.839 10.568 ( 0.000 7.477 -1.034) 7.548 11.085 ( 0.000 18.261 2.135) 18.385 11.279 ( 0.000 -7.004 -14.153) 15.791 12.580 ( -0.000 -13.724 12.994) 18.899 13.653 ( -0.000 -12.696 -3.390) 13.141 18.376 ( -0.000 -5.946 4.062) 7.201 18.540 ( 0.000 3.561 -1.683) 3.938 19.124 ( 0.000 -6.403 -13.027) 14.515 19.173 ( -0.000 -2.005 1.401) 2.446 20.794 ( -0.000 -11.998 19.394) 22.805 21.105 ( -0.000 -2.189 2.214) 3.114 27.463 ( 0.000 2.664 -0.772) 2.774 27.587 ( -0.000 -1.427 -0.449) 1.496 36.610 ( 0.000 3.060 -1.680) 3.490 37.005 ( 0.000 11.759 4.227) 12.496 37.113 ( 0.000 13.608 -6.644) 15.143 40.019 ( 0.000 24.195 -53.562) 58.773 ======================= Grid point 28 (20/189) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 2.874 27.994 11.312) 30.330 2.273 ( -0.397 32.206 12.203) 34.442 3.761 ( 20.772 38.178 10.931) 44.816 4.113 ( -11.562 -5.734 -8.439) 15.420 4.569 ( 12.060 2.051 -5.630) 13.466 5.296 ( -0.830 -5.868 11.451) 12.894 5.755 ( -11.793 -11.644 -3.310) 16.901 6.103 ( -4.075 -9.625 9.655) 14.228 6.872 ( 20.000 -6.605 9.449) 23.084 7.403 ( -1.663 10.385 -4.105) 11.290 7.866 ( 3.579 21.180 -4.644) 21.976 8.236 ( -0.192 -4.004 -3.078) 5.054 10.203 ( -5.893 4.452 6.105) 9.582 10.780 ( 11.908 3.209 -3.105) 12.718 11.062 ( -2.793 7.296 -3.633) 8.616 11.440 ( 13.228 5.195 -1.127) 14.256 12.280 ( -24.376 -10.864 10.362) 28.629 13.448 ( -5.418 -14.297 -4.641) 15.978 18.352 ( -0.901 -5.199 2.231) 5.729 18.553 ( 0.450 1.666 0.620) 1.834 18.967 ( -1.425 -6.422 -9.695) 11.716 19.162 ( -0.111 -3.385 -0.702) 3.459 20.766 ( -1.516 -7.210 12.650) 14.639 21.084 ( -0.951 -2.734 1.948) 3.489 27.491 ( 0.578 2.370 -0.784) 2.562 27.572 ( 0.064 -0.582 -0.557) 0.808 36.675 ( 4.034 4.299 -0.031) 5.896 37.150 ( -0.375 13.176 -1.338) 13.249 37.351 ( 15.421 11.820 -0.895) 19.450 39.944 ( -2.047 12.779 -39.551) 41.614 ======================= Grid point 29 (21/189) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( 7.501 24.203 10.586) 27.461 2.693 ( 9.392 25.148 7.318) 27.824 3.848 ( -4.867 -7.884 -9.256) 13.096 4.320 ( 11.459 11.984 0.242) 16.583 4.828 ( 9.853 12.489 -4.800) 16.616 5.189 ( -9.576 -8.985 -0.766) 13.153 5.577 ( 0.241 -2.780 11.673) 12.002 6.000 ( -4.634 -6.295 10.270) 12.906 7.160 ( 13.816 -5.335 9.284) 17.479 7.498 ( 4.818 6.487 -4.015) 9.023 8.001 ( -0.776 8.337 -6.421) 10.552 8.241 ( 1.125 5.980 -1.929) 6.383 10.220 ( -1.034 3.234 8.610) 9.255 10.820 ( 0.362 -3.657 -3.493) 5.070 11.265 ( 10.621 8.143 -0.104) 13.384 11.692 ( 0.137 5.275 5.357) 7.519 11.791 ( -16.340 -3.378 2.497) 16.871 13.149 ( -9.237 -13.818 -5.747) 17.586 18.252 ( -5.916 -2.271 0.579) 6.363 18.575 ( -0.361 -1.367 0.557) 1.520 18.872 ( 2.119 -5.347 -5.662) 8.071 19.102 ( -1.164 -4.188 -1.097) 4.483 20.748 ( -0.722 -3.451 7.670) 8.441 21.040 ( -1.849 -3.002 1.189) 3.721 27.512 ( 0.450 0.913 -0.381) 1.086 27.579 ( 0.555 1.476 -0.914) 1.823 36.825 ( 7.223 4.839 1.439) 8.812 37.252 ( -0.658 11.562 -2.930) 11.946 37.795 ( 21.899 9.778 2.755) 24.141 39.769 ( -6.142 4.402 -29.806) 30.748 ======================= Grid point 30 (22/189) ======================= q-point: ( 0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( 14.336 19.610 4.904) 24.781 3.142 ( 14.229 14.122 9.530) 22.197 3.696 ( 2.210 -9.084 -9.005) 12.981 4.496 ( -1.322 4.088 -2.512) 4.977 4.908 ( -3.946 -5.315 -2.940) 7.243 5.008 ( -0.487 10.368 -4.944) 11.497 5.639 ( 1.912 -8.053 7.877) 11.426 5.928 ( -8.158 -0.020 10.005) 12.909 7.370 ( 8.707 -0.094 9.502) 12.888 7.591 ( 4.109 -0.116 -6.731) 7.887 8.036 ( 1.914 4.664 -1.095) 5.159 8.298 ( -2.420 8.381 -3.824) 9.524 10.311 ( 3.491 -0.042 8.275) 8.981 10.790 ( 0.107 -2.807 2.613) 3.837 11.282 ( -15.527 -1.003 15.223) 21.767 11.535 ( -0.148 5.603 -10.247) 11.680 11.970 ( 11.063 5.283 -1.811) 12.393 12.834 ( -8.737 -10.553 -4.946) 14.566 18.151 ( -4.564 0.827 0.567) 4.673 18.504 ( -5.078 -2.579 -0.914) 5.768 18.849 ( 1.880 -2.566 -2.749) 4.205 19.052 ( 1.805 -5.867 -0.545) 6.163 20.757 ( 0.587 -1.050 4.401) 4.563 20.976 ( -2.602 -2.935 0.274) 3.932 27.529 ( 0.827 0.869 0.018) 1.200 27.598 ( -0.010 1.877 -1.011) 2.132 37.014 ( 7.463 5.390 1.331) 9.301 37.321 ( -1.101 7.875 -1.584) 8.107 38.295 ( 23.286 7.546 4.775) 24.939 39.512 ( -8.905 -0.655 -22.950) 24.625 ======================= Grid point 31 (23/189) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 16.926 11.471 -3.162) 20.690 3.545 ( 15.342 -0.373 12.671) 19.901 3.626 ( 5.258 -4.878 -7.302) 10.235 4.239 ( -19.143 -8.560 -2.122) 21.077 5.024 ( 5.933 10.535 -1.066) 12.138 5.059 ( 1.609 13.611 -9.640) 16.757 5.583 ( -1.688 -9.503 9.648) 13.647 5.760 ( -13.880 -3.354 6.412) 15.653 7.478 ( -1.840 0.922 -11.011) 11.201 7.624 ( 5.636 -1.776 8.961) 10.734 8.164 ( 5.572 4.933 4.116) 8.505 8.275 ( -5.778 6.186 -4.173) 9.438 10.404 ( 6.084 -4.559 4.683) 8.929 10.718 ( -7.601 -5.879 7.569) 12.233 11.285 ( 1.828 8.660 12.575) 15.377 11.406 ( -9.552 -0.163 -12.290) 15.566 12.197 ( 11.435 3.866 -2.517) 12.330 12.607 ( -5.959 -6.833 -2.517) 9.409 18.134 ( -0.638 4.385 0.574) 4.468 18.360 ( -7.700 -2.309 -0.395) 8.048 18.861 ( 3.464 -1.020 -2.644) 4.475 19.024 ( 1.801 -6.827 0.460) 7.076 20.793 ( 1.871 0.315 2.372) 3.037 20.898 ( -3.163 -2.575 -0.492) 4.108 27.560 ( 1.163 1.475 0.332) 1.907 27.600 ( -1.018 1.209 -0.806) 1.774 37.173 ( 3.439 6.236 -2.403) 7.516 37.359 ( -0.600 3.002 3.406) 4.580 38.775 ( 21.473 5.265 4.237) 22.511 39.217 ( -9.953 -3.586 -15.833) 19.042 ======================= Grid point 32 (24/189) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 2.797 -10.150 -12.302) 16.192 3.659 ( 11.199 -4.503 0.802) 12.097 3.753 ( -22.823 -11.759 -2.019) 25.754 3.970 ( 17.865 6.992 10.698) 21.966 5.020 ( -7.932 15.881 -15.807) 23.769 5.281 ( 1.773 3.252 -4.828) 6.085 5.547 ( -3.307 -2.296 11.266) 11.964 5.608 ( -1.326 2.852 16.309) 16.610 7.310 ( -6.165 -1.047 -16.365) 17.519 7.761 ( 5.107 -1.892 8.147) 9.800 8.186 ( -7.149 4.033 -3.248) 8.828 8.332 ( 3.748 4.226 6.722) 8.780 10.472 ( 2.561 -7.839 1.917) 8.466 10.564 ( -2.913 -4.971 4.898) 7.562 11.068 ( -12.992 -0.350 -14.757) 19.665 11.612 ( 8.117 10.081 15.990) 20.572 12.385 ( 3.665 -2.293 -4.298) 6.096 12.445 ( 0.092 -1.410 -0.474) 1.490 18.188 ( -3.042 2.448 -1.457) 4.168 18.245 ( -0.407 3.648 2.136) 4.247 18.911 ( 5.248 -1.749 -2.948) 6.269 18.982 ( 0.403 -6.030 1.368) 6.197 20.813 ( -3.477 -2.008 -1.001) 4.138 20.849 ( 2.733 0.813 1.155) 3.077 27.581 ( -1.618 0.425 -0.463) 1.736 27.597 ( 0.858 1.741 0.540) 2.014 37.194 ( -3.611 3.503 -5.637) 7.556 37.421 ( 0.721 1.969 7.659) 7.941 38.838 ( -10.795 -5.145 -15.847) 19.853 39.270 ( 18.553 3.331 9.309) 21.023 ======================= Grid point 33 (25/189) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.128 ( -11.941 -8.670 -8.500) 17.030 3.216 ( -18.335 -14.530 -1.898) 23.471 3.782 ( 7.491 -4.927 0.219) 8.969 4.412 ( 17.792 6.236 7.804) 20.404 4.946 ( -6.496 12.403 -10.202) 17.324 5.183 ( -5.292 -2.945 -0.786) 6.107 5.577 ( 1.838 -1.086 7.535) 7.832 5.744 ( -6.909 7.949 8.582) 13.586 7.124 ( -4.493 0.437 -13.772) 14.493 7.820 ( 1.301 -4.791 2.918) 5.758 8.103 ( -4.164 3.012 -0.526) 5.166 8.425 ( -1.223 2.557 5.846) 6.496 10.294 ( -7.711 -7.128 -2.306) 10.751 10.641 ( 8.813 -1.002 -2.061) 9.106 10.883 ( -2.970 2.312 -2.251) 4.386 11.843 ( -0.494 4.610 10.494) 11.473 12.190 ( -8.563 -7.124 -3.107) 11.564 12.640 ( 13.075 3.336 -0.119) 13.494 18.124 ( -2.393 1.393 -0.089) 2.771 18.380 ( 4.969 6.850 1.071) 8.530 18.945 ( 0.605 -3.384 1.650) 3.813 18.965 ( 5.499 -3.834 -2.802) 7.266 20.730 ( -3.543 -1.346 -1.274) 3.999 20.911 ( 3.045 0.735 0.409) 3.159 27.553 ( -1.465 -0.112 -0.142) 1.477 27.623 ( -0.171 1.427 0.543) 1.536 37.092 ( -6.563 -0.108 -3.905) 7.637 37.470 ( -2.801 2.958 6.491) 7.663 38.480 ( -14.712 -6.509 -11.370) 19.700 39.673 ( 18.337 2.867 8.663) 20.482 ======================= Grid point 34 (26/189) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( -28.087 -7.066 -1.178) 28.986 2.910 ( -12.443 -5.720 -2.939) 14.006 3.861 ( 7.403 -3.146 0.648) 8.070 4.635 ( -2.775 3.566 1.819) 4.871 5.076 ( 1.718 -0.610 4.823) 5.156 5.100 ( 11.614 6.217 -4.002) 13.768 5.471 ( -28.382 -0.003 3.283) 28.571 5.669 ( 4.243 -0.854 -2.715) 5.109 7.024 ( -2.975 2.487 -7.429) 8.380 7.735 ( -5.554 -5.629 0.443) 7.920 8.112 ( 1.976 1.326 1.140) 2.638 8.393 ( -7.397 0.923 2.708) 7.931 10.126 ( -3.695 -3.718 -1.625) 5.488 10.823 ( 12.540 6.755 -6.685) 15.734 10.947 ( 5.145 0.948 5.852) 7.850 11.775 ( -11.542 -2.264 4.132) 12.466 11.966 ( -9.051 -4.778 -1.768) 10.387 12.934 ( 16.669 2.568 1.097) 16.901 18.149 ( 2.568 2.669 0.402) 3.726 18.516 ( 3.501 3.327 0.464) 4.852 18.954 ( 2.034 -1.147 2.107) 3.145 19.012 ( 6.417 -3.139 -2.728) 7.647 20.653 ( -3.378 -0.673 -1.210) 3.651 20.970 ( 2.913 0.396 0.011) 2.939 27.531 ( -0.768 -0.276 0.027) 0.817 27.622 ( -1.431 0.740 0.325) 1.643 36.943 ( -7.687 -1.383 -1.946) 8.049 37.443 ( -7.258 2.896 4.174) 8.859 38.095 ( -17.127 -5.429 -6.465) 19.094 40.041 ( 16.819 1.915 6.254) 18.046 ======================= Grid point 35 (27/189) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -29.378 -0.000 0.000) 29.378 2.566 ( -24.324 -0.000 0.000) 24.324 4.002 ( 10.273 0.000 -0.000) 10.273 4.449 ( -27.438 -0.000 0.000) 27.438 4.915 ( -25.149 -0.000 0.000) 25.149 5.027 ( -2.073 -0.000 0.000) 2.073 5.522 ( 24.255 0.000 -0.000) 24.255 5.738 ( 6.014 0.000 -0.000) 6.014 6.967 ( -3.273 -0.000 0.000) 3.273 7.559 ( -10.403 -0.000 0.000) 10.403 8.190 ( 5.273 0.000 -0.000) 5.273 8.217 ( -14.167 -0.000 0.000) 14.167 10.069 ( -0.576 -0.000 0.000) 0.576 11.057 ( -0.310 -0.000 0.000) 0.310 11.065 ( 10.637 0.000 -0.000) 10.637 11.571 ( -8.221 -0.000 0.000) 8.221 11.800 ( -2.860 -0.000 0.000) 2.860 13.244 ( 17.009 0.000 -0.000) 17.009 18.244 ( 5.491 0.000 -0.000) 5.491 18.556 ( -0.030 -0.000 0.000) 0.030 19.006 ( 3.564 0.000 -0.000) 3.564 19.115 ( 8.236 0.000 -0.000) 8.236 20.591 ( -2.984 -0.000 0.000) 2.984 21.019 ( 2.560 0.000 -0.000) 2.560 27.520 ( -0.459 -0.000 0.000) 0.459 27.597 ( -1.736 -0.000 0.000) 1.736 36.798 ( -7.197 -0.000 0.000) 7.197 37.316 ( -10.867 -0.000 0.000) 10.867 37.739 ( -18.298 -0.000 0.000) 18.298 40.343 ( 14.725 0.000 -0.000) 14.725 ======================= Grid point 40 (28/189) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 27.674 6.424) 28.410 2.675 ( 0.000 24.294 16.879) 29.582 3.917 ( 0.000 16.650 1.298) 16.700 4.177 ( -0.000 -13.661 -8.804) 16.252 4.458 ( 0.000 27.196 -2.029) 27.271 5.308 ( -0.000 -3.447 8.228) 8.921 5.644 ( -0.000 -19.572 -3.096) 19.815 6.212 ( -0.000 -2.121 13.157) 13.327 6.668 ( -0.000 -2.171 9.917) 10.152 7.462 ( 0.000 7.775 -7.344) 10.695 8.023 ( 0.000 11.556 -5.435) 12.770 8.213 ( 0.000 7.268 -0.143) 7.270 10.407 ( 0.000 8.849 8.222) 12.079 10.581 ( -0.000 -10.162 -0.783) 10.192 11.115 ( 0.000 4.933 -2.646) 5.597 11.459 ( 0.000 17.971 -0.263) 17.973 12.428 ( -0.000 -13.109 8.354) 15.544 13.312 ( -0.000 -16.278 -5.653) 17.232 18.305 ( -0.000 -5.961 5.121) 7.859 18.568 ( -0.000 -0.900 -0.587) 1.074 18.849 ( 0.000 -5.494 -12.706) 13.843 19.148 ( -0.000 -1.985 1.503) 2.490 20.769 ( -0.000 -6.425 9.896) 11.799 21.073 ( -0.000 -3.306 1.785) 3.757 27.509 ( 0.000 2.844 -0.880) 2.977 27.559 ( -0.000 -0.812 -0.410) 0.910 36.688 ( 0.000 5.501 -0.453) 5.520 37.294 ( 0.000 13.042 -9.071) 15.887 37.317 ( 0.000 13.792 5.735) 14.937 39.888 ( 0.000 9.939 -33.230) 34.685 ======================= Grid point 41 (29/189) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( 3.398 24.102 6.415) 25.172 2.922 ( -2.946 17.970 12.168) 21.901 3.826 ( -7.935 -9.435 -11.453) 16.827 4.156 ( 13.516 -0.787 -6.284) 14.926 4.855 ( 5.286 26.213 2.704) 26.877 5.257 ( -7.294 -6.861 1.954) 10.203 5.490 ( 3.950 -10.252 3.553) 11.547 6.185 ( -7.973 2.702 13.775) 16.144 6.860 ( 15.755 -4.704 6.710) 17.758 7.517 ( 0.665 8.450 -3.979) 9.364 8.006 ( 0.777 -2.068 -6.774) 7.125 8.366 ( -1.453 18.138 0.924) 18.220 10.341 ( -5.478 -5.475 6.200) 9.921 10.671 ( 8.034 -2.839 4.419) 9.598 11.232 ( 4.314 12.866 -1.288) 13.631 11.677 ( 5.544 14.521 -1.555) 15.621 12.161 ( -19.318 -10.851 7.792) 23.487 13.082 ( -3.931 -16.008 -6.578) 17.748 18.268 ( -1.255 -5.873 3.208) 6.809 18.566 ( 3.402 -3.632 1.403) 5.171 18.737 ( -0.923 -2.469 -10.735) 11.054 19.116 ( -2.483 -1.919 0.734) 3.223 20.757 ( -0.271 -4.047 6.764) 7.887 21.038 ( -0.960 -3.491 1.173) 3.805 27.522 ( -0.531 1.320 -0.429) 1.486 27.569 ( 1.414 1.041 -0.745) 1.907 36.783 ( 4.507 5.610 0.903) 7.252 37.356 ( -0.936 11.355 -6.386) 13.061 37.607 ( 13.111 12.506 3.583) 18.470 39.760 ( -4.503 4.561 -26.664) 27.423 ======================= Grid point 42 (30/189) ======================= q-point: ( 0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.850 ( 4.968 21.386 5.152) 22.552 3.108 ( 5.948 3.957 9.101) 11.570 3.590 ( -3.698 -4.559 -9.849) 11.466 4.389 ( 15.913 2.398 -5.713) 17.076 4.959 ( -11.756 -6.933 0.208) 13.650 5.125 ( -0.903 10.882 3.154) 11.366 5.518 ( 3.130 -5.808 0.588) 6.624 6.153 ( -8.891 3.894 7.677) 12.375 7.137 ( 17.831 -4.674 7.188) 19.785 7.583 ( -1.166 6.905 -2.204) 7.341 8.004 ( 4.158 0.210 -3.701) 5.571 8.476 ( -5.239 14.826 -0.441) 15.731 10.261 ( 2.107 -10.939 4.921) 12.178 10.802 ( 2.312 5.201 9.325) 10.925 11.423 ( 3.561 7.202 0.912) 8.086 11.729 ( -18.658 -4.553 1.305) 19.250 11.901 ( 3.552 9.461 -0.230) 10.109 12.813 ( -5.639 -12.777 -6.302) 15.322 18.194 ( -1.841 -4.102 1.361) 4.697 18.575 ( -4.033 0.763 -0.266) 4.113 18.692 ( 7.223 -6.021 -4.678) 10.502 19.039 ( -3.943 -1.927 -0.234) 4.395 20.758 ( 0.353 -1.871 4.185) 4.598 20.985 ( -1.808 -3.205 0.400) 3.701 27.528 ( 0.331 0.947 -0.011) 1.004 27.602 ( 0.997 1.640 -0.913) 2.126 36.953 ( 7.382 5.467 2.328) 9.476 37.404 ( -1.323 8.177 -5.204) 9.783 38.021 ( 19.352 9.507 3.725) 21.880 39.545 ( -8.157 0.297 -20.714) 22.264 ======================= Grid point 43 (31/189) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( 5.948 17.091 0.070) 18.096 3.279 ( 10.959 -10.580 2.137) 15.382 3.531 ( 3.861 1.832 1.265) 4.457 4.478 ( -14.607 -2.439 -1.808) 14.920 4.861 ( 15.808 1.396 0.457) 15.876 5.223 ( -3.619 13.882 -0.394) 14.352 5.480 ( 2.079 -9.036 0.810) 9.308 5.983 ( -13.173 -2.510 -0.799) 13.434 7.427 ( 13.609 -2.858 7.428) 15.766 7.555 ( -5.300 2.312 -3.996) 7.029 8.121 ( 7.395 4.335 0.730) 8.603 8.476 ( -8.654 10.545 -1.151) 13.690 10.245 ( 6.121 -10.902 3.053) 12.870 10.900 ( -7.375 3.418 13.681) 15.914 11.437 ( -6.868 0.992 8.482) 10.959 11.490 ( -4.958 3.667 -9.106) 10.997 12.055 ( 7.297 4.833 -3.411) 9.393 12.602 ( -3.785 -7.663 -4.050) 9.458 18.167 ( 0.673 -0.163 1.292) 1.466 18.469 ( -7.341 0.341 -1.893) 7.589 18.755 ( 6.560 -4.354 -0.866) 7.921 18.958 ( -1.984 -2.907 -0.778) 3.605 20.778 ( 1.311 -0.402 2.334) 2.707 20.920 ( -2.519 -2.542 -0.209) 3.585 27.554 ( 1.245 1.263 0.239) 1.789 27.619 ( -0.206 1.220 -0.779) 1.462 37.149 ( 6.836 5.770 2.250) 9.225 37.413 ( -1.828 3.789 -2.856) 5.085 38.476 ( 21.492 6.601 3.430) 22.743 39.276 ( -10.104 -2.664 -14.966) 18.253 ======================= Grid point 44 (32/189) ======================= q-point: ( 0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.211 ( -2.139 -4.834 -7.888) 9.496 3.423 ( 12.163 -0.170 0.623) 12.180 3.781 ( 15.543 3.112 8.436) 17.956 4.063 ( -23.753 -6.423 -1.132) 24.632 5.221 ( 8.259 9.208 -4.773) 13.259 5.252 ( -5.599 13.564 -1.904) 14.797 5.505 ( 11.669 -6.668 7.077) 15.190 5.711 ( -10.420 -5.545 0.207) 11.805 7.379 ( -10.161 0.896 -7.810) 12.846 7.642 ( 9.450 -4.325 5.421) 11.721 8.314 ( 6.546 5.185 3.566) 9.080 8.388 ( -10.072 6.249 -0.924) 11.889 10.290 ( 8.302 -7.650 1.781) 11.429 10.739 ( -15.553 -3.570 9.849) 18.752 11.211 ( -12.565 0.671 -13.986) 18.813 11.660 ( 7.686 8.952 14.518) 18.708 12.211 ( 9.436 0.583 -5.544) 10.959 12.462 ( -3.858 -4.559 -1.864) 6.257 18.226 ( 3.045 3.507 1.057) 4.763 18.327 ( -7.372 -0.519 -0.784) 7.432 18.813 ( 4.025 -1.253 -1.101) 4.357 18.907 ( 0.791 -4.776 -0.249) 4.847 20.818 ( 2.187 0.260 1.106) 2.465 20.848 ( -3.079 -1.678 -0.482) 3.540 27.594 ( 1.540 1.305 0.346) 2.048 27.610 ( -1.381 0.609 -0.485) 1.585 37.270 ( -1.805 5.543 -2.367) 6.292 37.425 ( 3.065 0.071 3.294) 4.500 38.856 ( 5.537 3.663 -5.457) 8.594 39.050 ( 4.294 -3.505 -1.402) 5.718 ======================= Grid point 45 (33/189) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -2.894 -5.567 -5.256) 8.184 3.542 ( -19.013 -5.760 1.002) 19.892 3.623 ( 2.035 -0.929 -1.455) 2.668 4.156 ( 19.611 2.904 4.097) 20.243 5.163 ( -10.698 9.972 -7.924) 16.634 5.245 ( -5.559 -3.200 1.398) 6.565 5.580 ( -0.116 -1.595 3.924) 4.237 5.830 ( 11.771 3.605 5.798) 13.608 7.168 ( -8.568 -0.216 -6.678) 10.866 7.750 ( 4.809 -2.563 2.020) 5.812 8.248 ( -9.487 2.650 -0.537) 9.865 8.461 ( 2.822 2.358 3.001) 4.747 10.358 ( -0.080 -3.883 0.816) 3.969 10.508 ( -4.038 -2.978 1.109) 5.139 10.978 ( -8.380 1.065 -4.812) 9.722 11.939 ( 4.484 7.797 11.060) 14.255 12.209 ( -3.364 -6.794 -6.538) 10.011 12.462 ( 8.338 1.124 -0.513) 8.429 18.196 ( -5.506 0.406 -0.547) 5.548 18.358 ( 5.353 3.512 1.149) 6.504 18.852 ( 2.567 -0.830 -1.966) 3.338 18.893 ( 2.378 -3.583 1.014) 4.418 20.776 ( -3.513 -0.805 -0.445) 3.632 20.869 ( 2.781 0.302 0.376) 2.822 27.582 ( -1.927 0.131 -0.180) 1.940 27.629 ( 0.981 0.833 0.265) 1.314 37.200 ( -6.865 1.227 -2.022) 7.261 37.519 ( 2.826 1.234 3.335) 4.543 38.636 ( -14.234 -2.240 -6.327) 15.737 39.382 ( 21.173 0.966 3.340) 21.457 ======================= Grid point 46 (34/189) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.974 ( -4.319 -0.000 0.000) 4.319 3.062 ( -26.340 -0.000 0.000) 26.340 3.734 ( 6.449 0.000 -0.000) 6.449 4.522 ( 17.948 0.000 -0.000) 17.948 5.022 ( -5.810 -0.000 0.000) 5.810 5.147 ( -4.526 -0.000 0.000) 4.526 5.606 ( 2.010 0.000 -0.000) 2.010 5.873 ( -12.292 -0.000 0.000) 12.292 7.053 ( -2.703 -0.000 0.000) 2.703 7.775 ( -1.077 -0.000 0.000) 1.077 8.136 ( -4.109 -0.000 0.000) 4.109 8.488 ( -2.026 -0.000 0.000) 2.026 10.204 ( -8.298 -0.000 0.000) 8.298 10.618 ( 11.437 0.000 -0.000) 11.437 10.903 ( 0.196 0.000 -0.000) 0.196 11.983 ( -11.049 -0.000 0.000) 11.049 12.056 ( -3.186 -0.000 0.000) 3.186 12.675 ( 14.695 0.000 -0.000) 14.695 18.141 ( -0.894 -0.000 0.000) 0.894 18.473 ( 4.729 0.000 -0.000) 4.729 18.892 ( 4.304 0.000 -0.000) 4.304 18.919 ( 1.986 0.000 -0.000) 1.986 20.708 ( -3.675 -0.000 0.000) 3.675 20.921 ( 2.983 0.000 -0.000) 2.983 27.551 ( -1.632 -0.000 0.000) 1.632 27.642 ( -0.220 -0.000 0.000) 0.220 37.069 ( -7.974 -0.000 0.000) 7.974 37.548 ( -1.843 -0.000 0.000) 1.843 38.340 ( -16.308 -0.000 0.000) 16.308 39.750 ( 19.665 0.000 -0.000) 19.665 ======================= Grid point 53 (35/189) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( 0.000 20.138 2.810) 20.333 3.144 ( 0.000 4.962 6.613) 8.268 3.745 ( -0.000 -11.185 -13.209) 17.309 3.935 ( 0.000 0.358 -5.615) 5.626 5.114 ( 0.000 17.493 10.259) 20.279 5.300 ( -0.000 -15.283 3.879) 15.768 5.386 ( 0.000 12.130 -0.535) 12.142 6.374 ( -0.000 3.344 13.789) 14.188 6.687 ( -0.000 -3.408 0.162) 3.412 7.601 ( 0.000 10.840 1.275) 10.915 7.910 ( 0.000 -4.946 -8.006) 9.411 8.577 ( 0.000 17.548 1.760) 17.636 10.241 ( -0.000 -20.430 1.980) 20.526 10.717 ( 0.000 10.880 11.716) 15.989 11.333 ( 0.000 15.650 -2.509) 15.850 11.769 ( 0.000 13.992 -2.205) 14.165 12.248 ( -0.000 -13.303 7.183) 15.118 12.908 ( -0.000 -16.565 -7.457) 18.166 18.259 ( -0.000 -4.112 4.973) 6.453 18.422 ( -0.000 -10.050 -3.132) 10.527 18.726 ( 0.000 2.962 -7.334) 7.909 19.129 ( -0.000 -1.402 1.092) 1.777 20.754 ( -0.000 -3.222 5.113) 6.043 21.017 ( -0.000 -3.545 0.823) 3.640 27.547 ( 0.000 -0.073 -0.265) 0.275 27.553 ( 0.000 2.310 -0.722) 2.420 36.798 ( 0.000 5.096 0.527) 5.123 37.431 ( 0.000 10.358 -8.681) 13.514 37.654 ( 0.000 12.894 6.698) 14.530 39.701 ( 0.000 1.889 -22.613) 22.692 ======================= Grid point 54 (36/189) ======================= q-point: ( 0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.956 ( 5.049 13.511 1.690) 14.523 3.080 ( -0.942 -8.570 -4.240) 9.608 3.618 ( -4.144 2.016 -2.423) 5.206 4.063 ( 15.308 0.704 -4.839) 16.071 5.097 ( -9.781 -9.590 3.894) 14.240 5.248 ( 0.699 2.101 8.280) 8.571 5.542 ( -3.412 15.531 -0.567) 15.911 6.368 ( -9.284 2.122 2.856) 9.942 6.823 ( 16.892 -2.758 4.016) 17.581 7.711 ( -2.462 10.156 3.671) 11.076 7.872 ( 5.593 -2.809 -6.191) 8.804 8.707 ( -3.864 13.391 1.136) 13.984 10.083 ( 2.812 -17.299 2.638) 17.723 10.911 ( 2.118 10.841 12.269) 16.509 11.480 ( 0.830 13.540 -3.050) 13.904 11.874 ( -2.079 5.905 -3.776) 7.311 12.040 ( -10.468 -7.888 6.908) 14.816 12.703 ( -1.286 -13.696 -6.984) 15.427 18.188 ( -2.944 -4.848 1.215) 5.801 18.431 ( 9.756 -6.889 -0.015) 11.943 18.686 ( -4.103 2.831 -4.847) 6.952 19.093 ( -3.201 -1.072 0.472) 3.409 20.753 ( 0.279 -1.877 3.356) 3.856 20.979 ( -0.893 -3.048 0.327) 3.193 27.537 ( -0.442 0.626 -0.104) 0.774 27.589 ( 1.564 1.436 -0.642) 2.218 36.896 ( 5.436 4.178 1.337) 6.985 37.471 ( -0.996 7.772 -6.807) 10.380 37.896 ( 9.730 10.572 5.825) 15.504 39.554 ( -4.850 -0.684 -17.765) 18.428 ======================= Grid point 55 (37/189) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.993 ( 8.117 -11.276 -3.005) 14.215 3.228 ( 7.836 13.826 -0.950) 15.921 3.560 ( -4.990 0.823 3.006) 5.884 4.392 ( 22.538 3.860 -4.365) 23.279 4.819 ( -14.663 -7.839 4.053) 17.114 5.309 ( 2.335 -1.999 4.687) 5.605 5.560 ( -9.388 12.922 1.376) 16.032 6.148 ( -12.506 -4.214 -7.380) 15.120 7.153 ( 17.899 -1.871 6.539) 19.148 7.721 ( -7.782 5.987 1.352) 9.911 7.987 ( 10.748 1.488 -2.084) 11.049 8.720 ( -7.742 8.742 0.368) 11.684 10.029 ( 6.346 -12.059 2.019) 13.775 11.123 ( 0.082 10.499 13.867) 17.394 11.557 ( -2.096 5.568 -0.450) 5.967 11.630 ( -15.070 -4.472 -2.894) 15.984 12.010 ( 1.222 2.070 -1.591) 2.883 12.543 ( -0.962 -7.472 -4.482) 8.766 18.135 ( 1.003 -2.645 0.539) 2.880 18.553 ( 9.810 -4.969 1.810) 11.145 18.595 ( -6.336 2.203 -3.948) 7.784 19.010 ( -5.104 -0.826 -0.252) 5.177 20.765 ( 0.926 -0.708 1.852) 2.188 20.932 ( -1.682 -2.114 -0.055) 2.702 27.547 ( 0.768 0.747 0.085) 1.075 27.620 ( 0.890 0.950 -0.535) 1.408 37.070 ( 8.779 3.294 2.293) 9.653 37.471 ( -2.487 4.314 -4.758) 6.888 38.237 ( 16.192 7.043 4.364) 18.188 39.341 ( -8.535 -2.216 -12.289) 15.125 ======================= Grid point 56 (38/189) ======================= q-point: ( 0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 9.837 -5.902 -2.104) 11.663 3.403 ( -4.062 8.760 -3.450) 10.254 3.586 ( 11.876 -2.379 6.342) 13.672 4.418 ( -21.971 -1.551 -0.506) 22.031 4.920 ( 30.051 2.325 0.787) 30.151 5.328 ( 1.748 -4.564 0.810) 4.954 5.538 ( -9.671 13.085 4.190) 16.802 5.821 ( -12.356 -8.115 -7.581) 16.613 7.427 ( 13.496 -2.210 3.014) 14.004 7.578 ( -12.698 1.811 -1.123) 12.876 8.210 ( 11.538 2.688 0.866) 11.879 8.625 ( -10.612 4.191 -0.048) 11.409 10.080 ( 8.725 -5.754 0.947) 10.495 11.094 ( -19.438 0.232 12.152) 22.925 11.357 ( -10.845 1.858 -12.597) 16.726 11.649 ( 8.286 3.301 8.417) 12.264 12.058 ( 4.906 0.012 -3.876) 6.253 12.461 ( -1.533 -2.811 -1.740) 3.644 18.174 ( 4.470 -0.134 0.576) 4.509 18.464 ( -8.409 0.484 -0.909) 8.472 18.685 ( 8.433 -1.947 0.121) 8.656 18.914 ( -4.439 -0.868 -0.527) 4.553 20.791 ( 1.665 -0.070 0.732) 1.820 20.880 ( -2.408 -1.016 -0.168) 2.619 27.576 ( 1.652 0.584 0.129) 1.757 27.630 ( -0.376 0.418 -0.287) 0.631 37.268 ( 8.659 2.922 2.213) 9.403 37.420 ( -3.751 0.517 -2.609) 4.598 38.623 ( 19.917 3.948 2.543) 20.463 39.096 ( -10.916 -2.717 -6.419) 12.951 ======================= Grid point 57 (39/189) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( -2.909 -0.000 0.000) 2.909 3.435 ( 7.242 0.000 -0.000) 7.242 3.862 ( 17.244 0.000 -0.000) 17.244 3.989 ( -25.629 -0.000 0.000) 25.629 5.288 ( -2.461 -0.000 0.000) 2.461 5.441 ( -14.632 -0.000 0.000) 14.632 5.482 ( 29.139 0.000 -0.000) 29.139 5.594 ( -2.649 -0.000 0.000) 2.649 7.348 ( -13.351 -0.000 0.000) 13.351 7.620 ( 9.452 0.000 -0.000) 9.452 8.396 ( 7.425 0.000 -0.000) 7.425 8.450 ( -11.755 -0.000 0.000) 11.755 10.215 ( 9.549 0.000 -0.000) 9.549 10.756 ( -20.260 -0.000 0.000) 20.260 11.140 ( -11.252 -0.000 0.000) 11.252 11.888 ( 10.968 0.000 -0.000) 10.968 12.125 ( 4.446 0.000 -0.000) 4.446 12.413 ( -1.191 -0.000 0.000) 1.191 18.273 ( 6.168 0.000 -0.000) 6.168 18.317 ( -8.227 -0.000 0.000) 8.227 18.800 ( 5.817 0.000 -0.000) 5.817 18.848 ( -2.000 -0.000 0.000) 2.000 20.825 ( -0.026 -0.000 0.000) 0.026 20.830 ( -0.721 -0.000 0.000) 0.721 27.609 ( 1.306 0.000 -0.000) 1.306 27.614 ( -1.089 -0.000 0.000) 1.089 37.317 ( -6.256 -0.000 0.000) 6.256 37.441 ( 7.405 0.000 -0.000) 7.405 38.849 ( -13.332 -0.000 0.000) 13.332 39.019 ( 22.072 0.000 -0.000) 22.072 ======================= Grid point 66 (40/189) ======================= q-point: ( 0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( -0.000 -15.733 -11.384) 19.419 3.028 ( 0.000 9.023 -0.840) 9.062 3.694 ( 0.000 3.756 1.927) 4.222 3.933 ( 0.000 2.708 -0.914) 2.858 5.117 ( -0.000 -7.656 3.826) 8.558 5.260 ( -0.000 -1.075 3.897) 4.043 5.810 ( 0.000 19.655 5.188) 20.328 6.521 ( -0.000 -7.470 -9.449) 12.045 6.603 ( -0.000 4.937 10.617) 11.709 7.735 ( 0.000 -4.006 -6.723) 7.826 7.874 ( 0.000 10.050 5.656) 11.532 8.861 ( 0.000 9.244 1.055) 9.304 9.908 ( -0.000 -14.019 2.140) 14.182 11.058 ( 0.000 9.827 11.056) 14.792 11.601 ( 0.000 14.557 -5.118) 15.431 11.937 ( 0.000 5.387 -3.649) 6.507 12.066 ( -0.000 -12.531 7.305) 14.505 12.543 ( -0.000 -10.976 -6.216) 12.614 18.212 ( -0.000 -6.607 -2.702) 7.138 18.246 ( -0.000 -1.783 3.194) 3.658 18.725 ( 0.000 1.950 -3.131) 3.689 19.117 ( -0.000 -0.676 0.480) 0.829 20.750 ( -0.000 -1.285 2.209) 2.556 20.961 ( -0.000 -2.351 0.145) 2.355 27.547 ( 0.000 0.189 -0.121) 0.225 27.583 ( 0.000 1.285 -0.388) 1.343 36.885 ( 0.000 2.854 0.586) 2.914 37.516 ( 0.000 5.811 -5.246) 7.829 37.944 ( 0.000 8.644 5.656) 10.330 39.500 ( 0.000 -1.598 -13.233) 13.330 ======================= Grid point 67 (41/189) ======================= q-point: ( 0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 5.280 -8.569 -5.405) 11.424 3.160 ( 7.914 4.754 -1.166) 9.306 3.690 ( -4.861 1.724 1.738) 5.443 4.072 ( 13.474 1.685 -0.669) 13.596 4.997 ( -9.113 -3.596 2.101) 10.020 5.277 ( 1.142 -1.129 1.725) 2.357 5.914 ( -10.504 14.582 8.064) 19.698 6.247 ( -11.328 -8.004 -10.207) 17.221 6.879 ( 16.293 0.937 4.670) 16.975 7.761 ( 9.109 -1.174 -2.956) 9.649 7.935 ( -4.730 5.097 2.641) 7.438 8.896 ( -4.414 4.593 0.463) 6.387 9.845 ( 4.091 -7.389 1.186) 8.529 11.229 ( 3.946 7.218 8.075) 11.527 11.671 ( -3.439 8.708 -4.172) 10.250 11.821 ( -12.532 -4.880 -0.020) 13.448 11.999 ( 0.141 -2.977 1.001) 3.144 12.452 ( 1.409 -4.771 -2.981) 5.799 18.113 ( -1.655 -2.305 -0.345) 2.858 18.351 ( 9.178 -1.904 0.680) 9.398 18.692 ( -3.980 1.004 -1.477) 4.362 19.082 ( -3.500 -0.340 0.113) 3.519 20.754 ( 0.519 -0.523 1.021) 1.259 20.936 ( -0.817 -1.226 0.000) 1.473 27.545 ( -0.037 0.255 -0.018) 0.258 27.605 ( 1.310 0.565 -0.230) 1.446 36.965 ( 6.181 1.466 0.626) 6.384 37.524 ( -1.640 2.824 -2.764) 4.278 38.108 ( 8.244 4.606 3.265) 9.992 39.386 ( -4.870 -1.416 -7.059) 8.693 ======================= Grid point 68 (42/189) ======================= q-point: (-0.42 -0.58 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 10.697 0.000 -0.000) 10.697 3.362 ( 12.225 0.000 -0.000) 12.225 3.584 ( -8.506 -0.000 0.000) 8.506 4.419 ( 25.959 0.000 -0.000) 25.959 4.757 ( -17.220 -0.000 0.000) 17.220 5.293 ( 1.028 0.000 -0.000) 1.028 5.858 ( -12.247 -0.000 0.000) 12.247 5.918 ( -12.164 -0.000 0.000) 12.164 7.172 ( 15.780 0.000 -0.000) 15.780 7.795 ( -9.825 -0.000 0.000) 9.825 7.999 ( 13.200 0.000 -0.000) 13.200 8.810 ( -8.153 -0.000 0.000) 8.153 9.911 ( 7.275 0.000 -0.000) 7.275 11.389 ( 4.332 0.000 -0.000) 4.332 11.504 ( -19.983 -0.000 0.000) 19.983 11.616 ( -3.602 -0.000 0.000) 3.602 11.998 ( 1.458 0.000 -0.000) 1.458 12.446 ( 0.806 0.000 -0.000) 0.806 18.110 ( 2.347 0.000 -0.000) 2.347 18.512 ( 10.124 0.000 -0.000) 10.124 18.598 ( -6.891 -0.000 0.000) 6.891 19.000 ( -5.492 -0.000 0.000) 5.492 20.768 ( 1.111 0.000 -0.000) 1.111 20.909 ( -1.613 -0.000 0.000) 1.613 27.555 ( 0.994 0.000 -0.000) 0.994 27.627 ( 0.803 0.000 -0.000) 0.803 37.117 ( 9.796 0.000 -0.000) 9.796 37.486 ( -3.425 -0.000 0.000) 3.425 38.344 ( 15.277 0.000 -0.000) 15.277 39.240 ( -8.846 -0.000 0.000) 8.846 ======================= Grid point 81 (43/189) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.266 ( -0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.726 ( 0.000 0.000 0.000) 0.000 7.648 ( 0.000 0.000 0.000) 0.000 8.019 ( 0.000 0.000 0.000) 0.000 8.959 ( 0.000 0.000 0.000) 0.000 9.774 ( 0.000 0.000 0.000) 0.000 11.249 ( 0.000 0.000 0.000) 0.000 11.748 ( -0.000 -0.000 0.000) 0.000 11.936 ( 0.000 0.000 0.000) 0.000 11.952 ( 0.000 0.000 0.000) 0.000 12.402 ( 0.000 0.000 0.000) 0.000 18.129 ( 0.000 0.000 0.000) 0.000 18.247 ( 0.000 0.000 0.000) 0.000 18.728 ( 0.000 0.000 0.000) 0.000 19.112 ( 0.000 0.000 0.000) 0.000 20.749 ( -0.000 0.000 0.000) 0.000 20.937 ( 0.000 0.000 0.000) 0.000 27.549 ( 0.000 0.000 0.000) 0.000 27.594 ( 0.000 0.000 0.000) 0.000 36.917 ( 0.000 0.000 0.000) 0.000 37.546 ( 0.000 0.000 0.000) 0.000 38.071 ( 0.000 0.000 0.000) 0.000 39.402 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 162 (44/189) ======================= q-point: ( 0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( -0.000 0.000 35.008) 35.008 0.568 ( -0.000 0.000 35.008) 35.008 0.936 ( -0.000 0.000 57.436) 57.436 4.471 ( 0.000 -0.000 -1.567) 1.567 4.471 ( 0.000 -0.000 -1.567) 1.567 6.152 ( 0.000 -0.000 -2.512) 2.512 6.152 ( 0.000 -0.000 -2.512) 2.512 6.682 ( 0.000 -0.000 -5.959) 5.959 6.887 ( -0.000 0.000 2.221) 2.221 6.887 ( 0.000 0.000 2.221) 2.221 7.406 ( -0.000 0.000 2.227) 2.227 8.444 ( 0.000 -0.000 -2.529) 2.529 10.334 ( 0.000 -0.000 -3.001) 3.001 10.334 ( 0.000 -0.000 -3.001) 3.001 10.456 ( -0.000 0.000 3.567) 3.567 10.456 ( 0.000 -0.000 3.567) 3.567 13.171 ( -0.000 0.000 1.022) 1.022 13.936 ( 0.000 -0.000 -2.077) 2.077 18.479 ( -0.000 0.000 1.575) 1.575 18.479 ( -0.000 0.000 1.575) 1.575 19.190 ( 0.000 -0.000 -1.477) 1.477 19.190 ( 0.000 -0.000 -1.477) 1.477 21.136 ( -0.000 0.000 2.531) 2.531 22.190 ( 0.000 -0.000 -2.005) 2.005 27.414 ( -0.000 0.000 0.401) 0.401 27.629 ( 0.000 -0.000 -0.482) 0.482 36.699 ( -0.000 -0.000 0.017) 0.017 36.699 ( 0.000 0.000 0.017) 0.017 36.752 ( -0.000 -0.000 -0.090) 0.090 36.752 ( 0.000 0.000 -0.090) 0.090 ======================= Grid point 163 (45/189) ======================= q-point: ( 0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( 20.172 11.646 18.455) 29.717 0.904 ( 12.088 6.979 27.825) 31.129 2.060 ( 50.529 29.173 36.716) 68.937 4.323 ( -7.139 -4.122 -6.711) 10.630 4.584 ( 5.142 2.969 -2.159) 6.317 5.689 ( -23.589 -13.619 26.506) 38.007 5.956 ( -9.972 -5.757 -5.708) 12.851 6.571 ( -5.093 -2.941 -3.110) 6.653 6.906 ( 1.409 0.814 2.565) 3.038 7.134 ( 14.083 8.131 -0.588) 16.272 7.269 ( 4.522 2.611 10.654) 11.864 8.399 ( -2.361 -1.363 -3.303) 4.283 10.296 ( -5.520 -3.187 3.247) 7.153 10.380 ( 3.945 2.278 -5.770) 7.351 10.572 ( 13.610 7.858 -3.861) 16.183 11.266 ( 32.508 18.769 -25.799) 45.548 12.769 ( -28.971 -16.726 15.851) 37.018 13.850 ( -6.304 -3.639 -3.020) 7.881 18.420 ( -4.699 -2.713 0.936) 5.506 18.551 ( 4.338 2.504 2.554) 5.622 19.122 ( -3.367 -1.944 -3.495) 5.228 19.275 ( 3.651 2.108 -7.582) 8.675 21.140 ( -1.052 -0.607 3.023) 3.258 21.289 ( -35.379 -20.426 34.664) 53.577 27.421 ( 1.091 0.630 -0.178) 1.272 27.613 ( -1.017 -0.587 -0.613) 1.324 36.698 ( 2.554 1.474 -2.681) 3.986 36.701 ( 1.130 0.652 3.187) 3.443 36.985 ( 14.459 8.348 1.647) 16.777 38.819 ( 83.894 48.436 -96.669) 136.855 ======================= Grid point 164 (46/189) ======================= q-point: ( 0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 22.547 13.018 13.683) 29.412 1.503 ( 27.883 16.098 8.070) 33.193 3.323 ( 42.954 24.800 23.732) 54.985 4.114 ( -6.155 -3.554 -9.976) 12.249 4.673 ( 3.756 2.169 -0.387) 4.355 5.472 ( -9.112 -5.261 22.476) 24.816 5.650 ( -13.666 -7.890 -6.950) 17.243 6.427 ( -7.217 -4.167 1.526) 8.472 6.980 ( 3.304 1.908 6.943) 7.922 7.445 ( 13.619 7.863 -7.006) 17.215 7.540 ( 12.403 7.161 6.519) 15.736 8.312 ( -3.355 -1.937 -3.383) 5.143 10.237 ( -1.140 -0.658 2.974) 3.252 10.455 ( 5.004 2.889 -5.409) 7.914 10.905 ( 16.822 9.712 -3.863) 19.805 11.657 ( 14.474 8.356 -13.128) 21.252 12.148 ( -31.633 -18.263 15.887) 39.832 13.619 ( -11.825 -6.827 -4.566) 14.397 18.290 ( -6.595 -3.808 0.529) 7.634 18.665 ( 3.175 1.833 3.178) 4.852 19.011 ( -4.013 -2.317 -4.763) 6.645 19.263 ( -0.455 -0.262 -6.641) 6.662 20.935 ( -12.894 -7.444 19.751) 24.734 21.119 ( -2.147 -1.240 2.722) 3.682 27.458 ( 2.188 1.263 -0.698) 2.621 27.581 ( -1.343 -0.776 -0.670) 1.690 36.776 ( 5.740 3.314 -4.790) 8.178 36.798 ( 4.925 2.843 5.689) 8.044 37.392 ( 19.370 11.184 4.149) 22.749 39.513 ( 25.461 14.700 -62.387) 68.967 ======================= Grid point 165 (47/189) ======================= q-point: ( 0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 26.734 15.435 6.335) 31.513 2.188 ( 28.638 16.534 3.980) 33.307 3.976 ( -0.526 -0.304 -10.350) 10.368 4.148 ( 19.045 10.996 8.937) 23.738 4.777 ( 5.346 3.086 -0.357) 6.183 5.275 ( -15.316 -8.843 -5.944) 18.658 5.493 ( 0.371 0.214 24.093) 24.097 6.250 ( -10.116 -5.840 5.885) 13.079 7.130 ( 5.833 3.368 9.109) 11.329 7.635 ( 7.515 4.339 -14.785) 17.143 7.842 ( 10.465 6.042 5.045) 13.095 8.229 ( -2.172 -1.254 -2.391) 3.466 10.268 ( 2.160 1.247 3.243) 4.091 10.548 ( 5.280 3.049 -2.331) 6.527 11.260 ( 14.990 8.654 -4.868) 17.980 11.551 ( -26.342 -15.208 15.293) 34.045 11.877 ( 9.806 5.661 -5.539) 12.605 13.278 ( -14.895 -8.600 -5.952) 18.200 18.143 ( -5.982 -3.454 0.225) 6.911 18.682 ( -3.622 -2.091 2.506) 4.876 18.907 ( -2.306 -1.331 -4.959) 5.629 19.224 ( 0.031 0.018 -3.779) 3.779 20.818 ( -5.379 -3.106 10.858) 12.509 21.071 ( -3.068 -1.771 1.752) 3.952 27.506 ( 2.219 1.281 -0.883) 2.710 27.551 ( -0.853 -0.493 -0.593) 1.150 36.895 ( 7.000 4.041 -6.405) 10.313 36.969 ( 6.421 3.707 7.748) 10.725 37.894 ( 21.371 12.339 6.809) 25.599 39.563 ( 6.242 3.604 -42.722) 43.325 ======================= Grid point 166 (48/189) ======================= q-point: ( 0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( 28.156 16.256 2.581) 32.614 2.838 ( 26.516 15.309 1.266) 30.644 3.977 ( 4.199 2.424 -10.268) 11.356 4.352 ( -0.404 -0.233 2.607) 2.648 4.843 ( 0.845 0.488 -5.321) 5.410 4.936 ( -10.856 -6.268 -1.032) 12.578 5.673 ( 0.867 0.500 20.697) 20.721 6.023 ( -13.269 -7.661 9.466) 18.011 7.336 ( 7.376 4.259 10.792) 13.748 7.628 ( 0.512 0.296 -19.804) 19.813 8.056 ( 6.130 3.539 4.874) 8.594 8.187 ( -0.613 -0.354 -2.822) 2.909 10.364 ( 4.402 2.542 4.186) 6.585 10.701 ( 7.947 4.588 4.145) 10.069 11.142 ( -15.774 -9.107 14.016) 22.982 11.462 ( 4.344 2.508 -9.655) 10.880 12.072 ( 9.132 5.272 -1.954) 10.724 12.917 ( -12.978 -7.493 -5.021) 15.804 18.038 ( -2.858 -1.650 -0.098) 3.302 18.541 ( -8.712 -5.030 1.265) 10.139 18.867 ( 1.139 0.658 -4.335) 4.530 19.213 ( -0.523 -0.302 -0.925) 1.105 20.787 ( -1.466 -0.847 5.886) 6.125 21.000 ( -3.685 -2.127 0.530) 4.287 27.539 ( 0.040 0.023 -0.338) 0.341 27.544 ( 1.418 0.818 -0.832) 1.836 37.012 ( 6.182 3.569 -7.382) 10.269 37.156 ( 5.557 3.208 9.241) 11.250 38.423 ( 20.736 11.972 9.199) 25.650 39.401 ( -2.027 -1.170 -32.315) 32.400 ======================= Grid point 167 (49/189) ======================= q-point: ( 0.50 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( 27.582 15.924 1.422) 31.880 3.396 ( 22.012 12.708 -2.374) 25.528 3.929 ( -5.325 -3.074 -11.920) 13.412 4.240 ( -10.057 -5.806 2.042) 11.791 4.767 ( -3.058 -1.766 -13.360) 13.819 4.887 ( 6.581 3.800 6.331) 9.891 5.671 ( -8.257 -4.767 15.981) 18.609 5.756 ( -15.056 -8.693 13.271) 21.872 7.475 ( -3.596 -2.076 -21.661) 22.055 7.572 ( 7.675 4.431 10.743) 13.926 8.150 ( -1.142 -0.659 -4.557) 4.744 8.203 ( 4.163 2.404 7.788) 9.153 10.510 ( 5.921 3.418 5.572) 8.820 10.786 ( -6.199 -3.579 2.518) 7.588 11.130 ( 9.521 5.497 19.190) 22.116 11.317 ( -9.940 -5.739 -16.734) 20.292 12.270 ( 8.946 5.165 -1.804) 10.487 12.659 ( -8.329 -4.809 -2.185) 9.863 18.025 ( 1.971 1.138 -0.380) 2.308 18.335 ( -9.191 -5.306 1.017) 10.661 18.910 ( 4.234 2.444 -3.701) 6.132 19.172 ( -3.017 -1.742 0.619) 3.538 20.808 ( 1.066 0.615 3.060) 3.298 20.911 ( -3.964 -2.288 -0.555) 4.610 27.548 ( 0.747 0.431 0.049) 0.864 27.561 ( 0.371 0.214 -0.577) 0.719 37.087 ( 3.749 2.164 -7.686) 8.822 37.308 ( 2.846 1.643 10.055) 10.579 38.929 ( 18.572 10.722 11.017) 24.109 39.142 ( -6.622 -3.823 -25.904) 27.009 ======================= Grid point 168 (50/189) ======================= q-point: (-0.42 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.570 ( -12.702 -7.334 -12.507) 19.275 3.870 ( 14.240 8.222 -1.938) 16.557 3.898 ( -10.112 -5.838 -0.479) 11.686 3.996 ( 16.838 9.722 4.959) 20.066 4.559 ( -6.761 -3.904 -18.463) 20.046 5.173 ( 11.386 6.574 -0.848) 13.175 5.518 ( -12.118 -6.996 22.517) 26.510 5.589 ( -4.347 -2.510 14.722) 15.554 7.251 ( -5.217 -3.012 -21.927) 22.740 7.787 ( 6.540 3.776 8.152) 11.112 8.083 ( -2.229 -1.287 -5.732) 6.284 8.324 ( 1.576 0.910 10.549) 10.705 10.624 ( -7.957 -4.594 3.277) 9.755 10.671 ( 4.003 2.311 2.332) 5.178 10.937 ( -11.610 -6.703 -14.338) 19.629 11.519 ( 12.477 7.204 17.132) 22.385 12.461 ( 8.973 5.181 -2.136) 10.579 12.464 ( -8.396 -4.848 -2.054) 9.910 18.122 ( 6.552 3.783 -0.664) 7.595 18.156 ( -6.610 -3.816 1.364) 7.753 19.004 ( 5.281 3.049 -3.703) 7.134 19.091 ( -4.190 -2.419 1.688) 5.125 20.815 ( -3.896 -2.249 -1.351) 4.697 20.862 ( 2.405 1.389 1.467) 3.141 27.558 ( -0.299 -0.173 -0.219) 0.410 27.569 ( 0.769 0.444 0.409) 0.978 37.096 ( 0.504 0.291 -7.395) 7.418 37.386 ( -0.901 -0.520 10.154) 10.207 38.823 ( -10.064 -5.811 -21.253) 24.223 39.388 ( 16.113 9.303 12.137) 22.214 ======================= Grid point 169 (51/189) ======================= q-point: (-0.33 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.115 ( -20.777 -11.996 -7.042) 25.004 3.427 ( -23.196 -13.392 -0.608) 26.792 4.160 ( 11.303 6.526 -4.537) 13.818 4.295 ( -7.794 -4.500 -1.045) 9.060 4.578 ( 24.368 14.069 -3.417) 28.344 5.184 ( -5.050 -2.916 -2.820) 6.478 5.494 ( -6.951 -4.013 16.655) 18.488 5.645 ( 3.226 1.863 8.373) 9.164 7.026 ( -4.186 -2.417 -19.271) 19.868 7.960 ( 5.424 3.131 5.453) 8.304 7.995 ( -2.531 -1.461 -6.392) 7.028 8.367 ( -3.184 -1.839 10.512) 11.137 10.471 ( -6.912 -3.991 3.358) 8.659 10.514 ( -4.884 -2.820 -17.786) 18.659 10.926 ( 4.086 2.359 10.563) 11.568 11.775 ( 1.607 0.928 10.676) 10.836 12.252 ( -8.405 -4.852 -2.874) 10.122 12.695 ( 12.709 7.338 0.138) 14.676 18.061 ( -2.211 -1.276 1.861) 3.159 18.301 ( 9.029 5.213 -0.985) 10.472 19.019 ( -2.841 -1.641 2.856) 4.350 19.094 ( 4.333 2.501 -4.417) 6.674 20.721 ( -3.514 -2.029 -1.916) 4.487 20.927 ( 2.738 1.581 0.532) 3.206 27.550 ( -0.308 -0.178 0.085) 0.366 27.581 ( -0.043 -0.025 0.553) 0.555 37.032 ( -2.637 -1.523 -6.656) 7.320 37.374 ( -4.789 -2.765 9.580) 11.061 38.454 ( -13.088 -7.556 -17.318) 22.985 39.800 ( 14.124 8.154 12.388) 20.480 ======================= Grid point 170 (52/189) ======================= q-point: (-0.25 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -24.861 -14.353 -1.699) 28.757 2.867 ( -26.246 -15.153 2.951) 30.450 4.172 ( -1.813 -1.047 0.690) 2.205 4.319 ( 3.923 2.265 -5.269) 6.948 5.070 ( -3.749 -2.164 0.242) 4.336 5.121 ( 21.737 12.550 6.220) 25.859 5.161 ( -25.436 -14.685 1.156) 29.393 5.799 ( 7.732 4.464 0.501) 8.942 6.849 ( -3.489 -2.014 -15.329) 15.850 7.882 ( -4.891 -2.824 -6.642) 8.719 8.097 ( 3.873 2.236 5.022) 6.725 8.279 ( -8.426 -4.865 6.335) 11.610 10.344 ( -5.690 -3.285 2.990) 7.219 10.483 ( 8.622 4.978 -10.066) 14.158 11.050 ( 1.973 1.139 8.255) 8.563 11.701 ( -10.688 -6.171 5.004) 13.317 12.095 ( -3.577 -2.065 0.047) 4.131 13.035 ( 15.657 9.039 1.772) 18.166 18.076 ( 2.321 1.340 2.258) 3.504 18.497 ( 7.884 4.552 -1.295) 9.196 19.004 ( 0.063 0.036 3.863) 3.864 19.154 ( 3.487 2.013 -5.541) 6.849 20.636 ( -2.962 -1.710 -2.146) 4.037 20.989 ( 2.490 1.437 0.038) 2.875 27.549 ( 0.232 0.134 0.210) 0.341 27.569 ( -1.302 -0.752 0.407) 1.557 36.912 ( -4.763 -2.750 -5.638) 7.876 37.275 ( -7.907 -4.565 8.410) 12.413 38.043 ( -15.371 -8.875 -13.599) 22.360 40.169 ( 12.590 7.269 11.012) 18.238 ======================= Grid point 171 (53/189) ======================= q-point: (-0.17 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -27.130 -15.663 3.763) 31.552 2.258 ( -29.494 -17.029 8.090) 35.005 4.016 ( -36.648 -21.158 -5.405) 42.661 4.216 ( 3.828 2.210 4.511) 6.316 4.672 ( -5.624 -3.247 -6.242) 9.008 5.015 ( -1.486 -0.858 1.473) 2.261 5.623 ( 17.288 9.981 11.852) 23.216 5.992 ( 10.685 6.169 -6.854) 14.114 6.703 ( -2.304 -1.330 -12.161) 12.448 7.687 ( -9.093 -5.250 -5.423) 11.817 7.994 ( -16.492 -9.521 6.974) 20.280 8.243 ( 4.992 2.882 -1.302) 5.910 10.245 ( -4.057 -2.342 1.986) 5.088 10.644 ( 2.671 1.542 -0.230) 3.093 11.192 ( 13.059 7.540 -4.881) 15.850 11.400 ( -16.335 -9.431 3.479) 19.180 12.115 ( 2.889 1.668 9.459) 10.030 13.392 ( 14.416 8.323 0.719) 16.662 18.179 ( 5.239 3.025 2.515) 6.551 18.609 ( 2.031 1.173 -1.857) 2.992 19.057 ( 2.397 1.384 3.979) 4.847 19.219 ( 5.542 3.200 -6.715) 9.276 20.566 ( -2.327 -1.343 -0.789) 2.800 21.041 ( 2.021 1.167 0.028) 2.334 27.528 ( -2.264 -1.307 0.068) 2.615 27.564 ( 0.948 0.547 0.135) 1.103 36.768 ( -5.061 -2.922 -4.481) 7.364 37.114 ( -9.403 -5.429 6.732) 12.775 37.616 ( -16.060 -9.273 -9.925) 21.034 40.485 ( 10.711 6.184 5.151) 13.398 ======================= Grid point 172 (54/189) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -28.019 -16.177 8.825) 33.536 1.613 ( -31.779 -18.348 14.054) 39.294 2.855 ( -57.131 -32.984 -3.191) 66.046 4.357 ( 5.230 3.020 5.321) 8.049 4.633 ( 1.969 1.137 -11.648) 11.867 5.033 ( 1.098 0.634 11.263) 11.334 5.988 ( 8.199 4.734 11.716) 15.064 6.239 ( 14.884 8.593 -8.577) 19.207 6.637 ( 1.458 0.842 -7.086) 7.284 7.431 ( -10.849 -6.264 -2.387) 12.753 7.576 ( -20.884 -12.057 1.276) 24.148 8.350 ( 4.502 2.599 -1.197) 5.335 10.189 ( -1.160 -0.670 0.387) 1.395 10.576 ( -6.090 -3.516 0.523) 7.052 11.037 ( -16.410 -9.474 3.687) 19.304 11.539 ( 17.786 10.268 -17.603) 27.049 12.308 ( 6.857 3.959 20.142) 21.643 13.685 ( 10.939 6.316 -0.654) 12.648 18.322 ( 5.576 3.219 2.561) 6.929 18.576 ( -3.106 -1.793 -2.505) 4.374 19.138 ( 2.680 1.547 2.848) 4.206 19.325 ( 6.653 3.841 -9.489) 12.209 20.542 ( -0.288 -0.166 7.955) 7.962 21.083 ( 1.486 0.858 0.573) 1.809 27.472 ( -2.345 -1.354 -0.301) 2.725 27.591 ( 1.342 0.775 -0.069) 1.551 36.650 ( -2.973 -1.716 -3.261) 4.735 36.933 ( -8.727 -5.038 4.651) 11.098 37.219 ( -14.352 -8.286 -6.321) 17.737 40.662 ( 4.986 2.879 -17.320) 18.252 ======================= Grid point 175 (55/189) ======================= q-point: ( 0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 23.687 17.578) 29.496 1.415 ( 0.000 29.176 29.239) 41.306 2.085 ( 0.000 42.850 42.287) 60.202 4.362 ( 0.000 -2.393 -10.494) 10.763 4.496 ( -0.000 -0.801 -0.871) 1.184 5.721 ( -0.000 -23.065 12.888) 26.422 6.164 ( -0.000 -2.810 -1.918) 3.402 6.481 ( -0.000 -10.696 -2.323) 10.946 6.882 ( -0.000 -10.814 13.583) 17.362 7.080 ( 0.000 19.634 -2.476) 19.790 7.238 ( -0.000 -0.713 2.611) 2.706 8.376 ( -0.000 -3.172 -4.219) 5.278 10.202 ( -0.000 -1.569 0.759) 1.743 10.429 ( 0.000 4.673 -1.100) 4.801 10.761 ( 0.000 15.440 2.306) 15.611 10.984 ( 0.000 29.355 -22.672) 37.091 12.955 ( -0.000 -16.859 9.115) 19.165 13.834 ( -0.000 -7.186 -3.661) 8.065 18.487 ( -0.000 0.650 0.943) 1.145 18.489 ( -0.000 -2.855 3.721) 4.690 19.143 ( 0.000 -1.920 -8.582) 8.794 19.195 ( 0.000 0.173 -0.742) 0.762 21.158 ( -0.000 -1.413 3.710) 3.970 21.438 ( -0.000 -41.492 25.948) 48.937 27.421 ( 0.000 0.955 0.076) 0.958 27.610 ( -0.000 -1.092 -0.741) 1.319 36.591 ( -0.000 -2.386 -1.000) 2.587 36.816 ( 0.000 8.650 2.082) 8.897 36.860 ( 0.000 8.816 -3.259) 9.399 38.474 ( 0.000 98.796 -71.186) 121.771 ======================= Grid point 176 (56/189) ======================= q-point: ( 0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 11.538 25.315 12.567) 30.527 1.686 ( -8.990 32.501 23.604) 41.161 3.102 ( 33.519 36.101 30.761) 58.077 4.149 ( -9.205 -4.016 -11.523) 15.285 4.571 ( 7.887 -1.821 -3.483) 8.812 5.564 ( -3.609 -14.290 12.386) 19.252 5.889 ( -17.592 -4.056 1.624) 18.126 6.366 ( -0.129 -11.470 0.577) 11.485 7.107 ( 14.933 -7.467 11.465) 20.254 7.144 ( 0.159 13.576 -0.725) 13.597 7.452 ( 11.217 12.851 -5.313) 17.866 8.301 ( -1.323 -3.969 -4.659) 6.261 10.186 ( -1.113 -0.975 3.719) 4.002 10.589 ( 4.463 11.750 -2.460) 12.808 10.790 ( -0.987 15.583 -3.880) 16.090 11.349 ( 19.512 7.633 -10.975) 23.652 12.593 ( -26.233 -14.953 11.651) 32.365 13.668 ( -6.371 -10.194 -4.947) 12.999 18.401 ( -6.763 -0.519 0.693) 6.819 18.580 ( 6.589 -2.234 3.759) 7.908 19.025 ( -3.103 -3.824 -6.906) 8.482 19.205 ( 1.048 -1.716 -3.686) 4.199 21.123 ( -10.034 -20.289 19.530) 29.896 21.149 ( -1.282 -2.266 3.562) 4.412 27.443 ( 1.037 1.773 -0.365) 2.086 27.587 ( -0.754 -1.089 -0.799) 1.547 36.631 ( 5.550 -0.243 0.049) 5.556 36.898 ( -0.482 11.012 -0.355) 11.028 37.146 ( 19.281 8.529 0.371) 21.087 39.081 ( 16.585 48.272 -60.031) 78.797 ======================= Grid point 177 (57/189) ======================= q-point: ( 0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 12.071 20.351 13.295) 27.141 2.127 ( 11.363 32.349 9.092) 35.472 3.914 ( -3.719 -3.885 -10.470) 11.771 4.028 ( 21.149 19.654 15.791) 32.907 4.683 ( 8.492 1.368 -3.703) 9.364 5.383 ( -10.486 -10.649 0.583) 14.957 5.676 ( -6.204 -0.619 17.142) 18.240 6.252 ( -1.023 -12.285 3.336) 12.771 7.201 ( -0.041 8.529 4.338) 9.569 7.427 ( 13.886 -0.221 -0.952) 13.920 7.720 ( 9.970 9.553 -4.956) 14.671 8.223 ( -0.819 -2.448 -3.852) 4.636 10.214 ( 2.019 0.183 6.419) 6.731 10.672 ( -4.789 14.423 -3.592) 15.616 11.064 ( 15.173 10.084 -3.378) 18.529 11.650 ( 15.807 1.891 -5.006) 16.689 12.004 ( -31.652 -12.582 13.531) 36.651 13.372 ( -11.288 -11.724 -6.503) 17.526 18.263 ( -8.748 -0.089 0.482) 8.762 18.658 ( 2.942 -4.969 2.433) 6.266 18.917 ( -1.811 -2.175 -4.923) 5.679 19.165 ( 0.623 -2.974 -4.175) 5.164 20.928 ( -6.270 -9.221 12.224) 16.546 21.108 ( -2.440 -2.809 2.494) 4.479 27.482 ( 1.613 1.695 -0.612) 2.419 27.561 ( -0.794 -0.177 -0.801) 1.142 36.758 ( 7.606 2.270 -0.521) 7.954 37.020 ( 1.891 10.406 1.311) 10.658 37.625 ( 24.393 8.961 2.974) 26.157 39.317 ( 6.063 20.737 -45.027) 49.942 ======================= Grid point 178 (58/189) ======================= q-point: ( 0.42 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 19.137 16.605 6.213) 26.087 2.722 ( 17.222 27.965 4.516) 33.152 3.808 ( 4.170 -5.424 -10.402) 12.450 4.393 ( 3.073 5.418 4.864) 7.903 4.819 ( 3.540 4.121 -3.819) 6.641 5.064 ( -12.745 -8.344 0.214) 15.235 5.781 ( 1.810 0.471 19.669) 19.758 6.114 ( -4.622 -11.568 6.514) 14.057 7.333 ( 4.116 5.915 2.778) 7.724 7.549 ( 2.162 4.094 -9.204) 10.303 7.939 ( 10.250 2.115 1.287) 10.545 8.188 ( -0.354 0.799 -3.836) 3.935 10.324 ( 4.355 1.969 8.238) 9.524 10.736 ( 0.136 9.559 0.794) 9.593 11.343 ( 7.613 5.358 -4.379) 10.288 11.483 ( -23.378 -7.600 12.602) 27.624 11.895 ( 13.342 1.842 -2.853) 13.767 13.013 ( -12.032 -10.571 -6.638) 17.337 18.127 ( -7.262 0.905 0.442) 7.331 18.598 ( -3.345 -6.591 0.295) 7.397 18.856 ( -1.774 0.132 -3.255) 3.710 19.150 ( 3.423 -3.887 -2.425) 5.719 20.839 ( -2.873 -4.062 7.140) 8.703 21.039 ( -3.290 -3.018 1.076) 4.592 27.516 ( 1.242 0.528 -0.365) 1.398 27.555 ( -0.189 1.574 -0.874) 1.811 36.910 ( 6.573 4.802 -3.037) 8.688 37.174 ( 3.712 7.064 4.919) 9.374 38.165 ( 25.238 8.447 4.993) 27.078 39.276 ( -1.576 8.677 -33.987) 35.113 ======================= Grid point 179 (59/189) ======================= q-point: ( 0.50 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 24.415 11.421 -1.530) 26.997 3.288 ( 16.717 23.032 1.879) 28.522 3.794 ( 6.174 -8.462 -8.375) 13.412 4.364 ( -9.843 -3.471 0.710) 10.461 4.812 ( -5.181 3.824 -6.527) 9.169 4.908 ( 0.222 2.210 4.489) 5.008 5.828 ( -3.971 -6.549 14.842) 16.702 5.931 ( -9.301 -9.876 9.527) 16.577 7.384 ( -0.831 0.540 -16.219) 16.249 7.609 ( 2.078 8.152 5.861) 10.253 8.137 ( 8.171 0.806 6.258) 10.324 8.164 ( -0.925 1.798 -4.806) 5.214 10.468 ( 5.103 1.483 7.702) 9.357 10.840 ( -0.708 -0.355 5.698) 5.753 11.232 ( -5.959 1.955 14.489) 15.788 11.348 ( -6.042 -0.314 -11.446) 12.947 12.118 ( 11.856 2.695 -2.810) 12.479 12.725 ( -7.800 -6.835 -4.065) 11.139 18.056 ( -3.074 3.034 0.290) 4.329 18.439 ( -7.715 -5.450 0.378) 9.454 18.845 ( 2.261 0.943 -3.419) 4.207 19.149 ( 1.816 -4.968 -0.603) 5.324 20.818 ( -0.192 -1.165 3.931) 4.104 20.951 ( -3.778 -2.888 -0.186) 4.759 27.538 ( 1.001 0.699 0.094) 1.224 27.566 ( -0.178 1.587 -0.806) 1.789 37.029 ( 3.434 5.799 -5.460) 8.674 37.328 ( 3.754 3.218 8.288) 9.651 38.688 ( 23.236 6.093 4.270) 24.399 39.106 ( -5.574 3.621 -24.421) 25.309 ======================= Grid point 180 (60/189) ======================= q-point: ( 0.58 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.396 ( 18.564 -0.752 -10.695) 21.437 3.668 ( 5.897 0.724 -8.295) 10.203 3.832 ( 10.354 11.257 3.415) 15.672 4.060 ( -12.510 -13.004 2.148) 18.172 4.673 ( -10.449 6.435 -10.088) 15.886 5.103 ( 7.860 10.021 1.680) 12.846 5.729 ( -8.772 -7.714 13.318) 17.715 5.750 ( -6.204 -6.014 18.273) 20.213 7.213 ( -5.978 0.138 -20.564) 21.416 7.774 ( 4.166 5.092 6.304) 9.111 8.101 ( -3.586 1.286 -5.335) 6.555 8.330 ( 6.010 1.132 10.179) 11.875 10.610 ( 6.252 -1.432 6.498) 9.130 10.714 ( -8.804 -8.051 4.764) 12.846 11.022 ( -12.862 -3.482 -15.252) 20.253 11.501 ( 9.716 9.926 17.185) 22.097 12.324 ( 10.571 3.488 -3.422) 11.646 12.532 ( -6.810 -5.573 -2.840) 9.247 18.089 ( 1.844 5.063 -0.241) 5.394 18.260 ( -7.793 -2.907 1.160) 8.398 18.905 ( 5.398 0.722 -3.627) 6.543 19.104 ( -0.786 -5.241 0.597) 5.333 20.845 ( 1.633 0.345 1.968) 2.580 20.854 ( -3.907 -2.485 -0.950) 4.727 27.566 ( -0.420 0.774 -0.373) 0.956 27.568 ( 0.632 1.261 0.314) 1.445 37.077 ( -0.097 4.380 -6.128) 7.533 37.443 ( 1.320 0.835 9.660) 9.785 38.805 ( -6.365 -2.438 -22.127) 23.153 39.221 ( 18.372 7.048 7.889) 21.200 ======================= Grid point 181 (61/189) ======================= q-point: (-0.33 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( -11.946 -10.027 -8.542) 17.782 3.553 ( -13.401 -18.920 -4.454) 23.609 3.860 ( 11.733 -3.127 -4.658) 13.005 4.335 ( 20.624 12.589 6.158) 24.934 4.524 ( -10.536 13.687 -10.659) 20.297 5.206 ( -2.177 0.649 -3.458) 4.138 5.671 ( -0.700 -3.447 11.911) 12.419 5.739 ( -7.064 0.599 21.759) 22.885 7.005 ( -5.718 1.599 -18.358) 19.294 7.897 ( 3.725 -0.555 1.523) 4.063 8.024 ( -3.186 2.782 -3.904) 5.757 8.450 ( 0.200 -0.133 10.847) 10.850 10.448 ( -9.175 -9.417 -8.398) 15.601 10.623 ( -4.809 -0.647 -1.724) 5.150 10.901 ( 4.291 -0.561 8.400) 9.449 11.809 ( 4.934 5.153 12.169) 14.106 12.315 ( -8.101 -6.925 -4.004) 11.385 12.543 ( 11.788 5.549 -1.682) 13.137 18.115 ( -3.335 -0.830 0.475) 3.470 18.239 ( 4.309 7.225 0.744) 8.446 18.984 ( 5.715 -0.857 -4.356) 7.237 19.043 ( -1.106 -3.906 1.663) 4.387 20.757 ( -3.894 -2.029 -1.260) 4.568 20.898 ( 2.589 0.952 0.888) 2.898 27.554 ( -0.730 -0.128 -0.162) 0.759 27.594 ( 0.097 1.535 0.542) 1.631 37.047 ( -3.196 1.670 -5.441) 6.528 37.486 ( -2.855 -0.069 9.349) 9.776 38.503 ( -11.336 -4.248 -18.190) 21.850 39.644 ( 18.044 5.225 7.657) 20.286 ======================= Grid point 182 (62/189) ======================= q-point: (-0.25 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( -22.987 -12.285 -0.748) 26.074 3.109 ( -15.870 -15.219 -1.356) 22.030 3.960 ( 9.500 -7.322 -4.359) 12.762 4.468 ( -6.758 13.098 -5.514) 15.736 4.871 ( 23.554 12.724 1.366) 26.806 5.112 ( -4.652 -1.442 -1.302) 5.042 5.549 ( -23.626 -4.942 9.034) 25.772 5.731 ( 2.999 -2.988 9.124) 10.058 6.871 ( -4.805 5.001 -12.030) 13.886 7.854 ( -2.186 -5.376 -4.687) 7.459 8.065 ( 3.348 3.596 -0.043) 4.913 8.435 ( -6.898 -2.270 8.487) 11.170 10.241 ( -0.547 -7.106 -4.404) 8.377 10.568 ( -2.175 8.974 -3.786) 9.980 11.048 ( 5.357 -2.501 12.209) 13.565 11.849 ( -7.244 -1.783 5.741) 9.414 12.092 ( -5.592 -7.793 -3.589) 10.242 12.846 ( 15.935 6.655 0.505) 17.276 18.094 ( -0.052 2.293 1.736) 2.876 18.414 ( 6.625 6.576 -0.158) 9.336 19.001 ( 1.190 -2.734 0.739) 3.072 19.050 ( 4.465 -1.469 -3.896) 6.105 20.669 ( -3.574 -1.452 -0.856) 3.951 20.957 ( 2.734 0.951 0.321) 2.913 27.541 ( -0.256 -0.665 0.036) 0.714 27.602 ( -1.219 1.276 0.330) 1.795 36.949 ( -5.410 -0.823 -4.167) 6.878 37.443 ( -7.471 -0.054 8.049) 10.982 38.146 ( -14.345 -5.378 -14.087) 20.813 40.019 ( 16.311 3.897 4.857) 17.459 ======================= Grid point 183 (63/189) ======================= q-point: (-0.17 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -25.893 -15.289 4.969) 30.478 2.662 ( -23.995 -8.907 3.917) 25.893 4.048 ( 10.076 -4.618 -1.604) 11.200 4.393 ( -15.165 4.777 -7.451) 17.559 4.921 ( -25.226 -3.004 -4.382) 25.780 5.087 ( -9.312 -3.827 9.419) 13.787 5.413 ( 23.705 10.134 2.662) 25.917 5.813 ( 6.463 -4.757 3.479) 8.747 6.793 ( -6.338 9.657 -6.959) 13.485 7.692 ( -6.000 -8.621 -3.878) 11.197 8.165 ( 5.273 1.930 -1.761) 5.885 8.256 ( -14.540 -3.557 4.726) 15.697 10.178 ( 1.280 -9.113 2.766) 9.609 10.731 ( 5.631 19.772 -6.598) 21.591 11.118 ( -0.751 -1.255 6.860) 7.014 11.638 ( -15.063 -3.947 3.568) 15.975 11.988 ( 6.118 -11.129 2.513) 12.946 13.191 ( 16.634 5.219 -0.230) 17.435 18.174 ( 3.313 5.312 2.309) 6.673 18.553 ( 3.776 1.662 -0.510) 4.157 19.021 ( 3.505 -1.691 -0.344) 3.907 19.102 ( 5.421 0.506 -4.347) 6.967 20.602 ( -2.805 -0.757 1.139) 3.121 21.012 ( 2.521 0.727 0.288) 2.639 27.531 ( -0.119 -1.063 -0.031) 1.070 27.585 ( -1.807 1.055 -0.043) 2.092 36.813 ( -6.231 -1.908 -2.733) 7.067 37.320 ( -11.150 0.144 5.998) 12.662 37.763 ( -16.402 -4.865 -9.876) 19.754 40.320 ( 13.839 2.060 -2.358) 14.189 ======================= Grid point 184 (64/189) ======================= q-point: (-0.08 0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -26.939 -14.640 10.220) 32.318 2.130 ( -32.102 -7.857 6.299) 33.644 3.674 ( -55.160 -5.986 0.339) 55.485 4.197 ( 11.000 -4.384 -1.666) 11.958 4.658 ( -5.619 5.589 -5.823) 9.835 5.084 ( 0.865 0.244 12.196) 12.229 5.864 ( 16.610 -7.492 -9.395) 20.502 5.934 ( 13.631 7.339 11.510) 19.291 6.798 ( -5.184 16.578 -0.762) 17.386 7.443 ( -9.398 -11.886 -0.951) 15.182 7.920 ( -20.567 -2.541 -1.693) 20.792 8.273 ( 5.452 1.477 -1.440) 5.829 10.130 ( 1.007 -6.576 2.991) 7.294 10.830 ( -12.428 11.165 -2.153) 16.845 11.115 ( -3.167 -8.063 -2.697) 9.072 11.463 ( -1.421 13.076 -2.448) 13.379 12.102 ( 16.811 -15.411 11.328) 25.465 13.500 ( 14.946 2.734 -1.691) 15.288 18.316 ( 4.505 5.633 2.128) 7.520 18.556 ( -0.967 -3.393 -0.909) 3.644 19.075 ( 4.862 -1.636 -1.867) 5.459 19.206 ( 6.470 3.977 -5.400) 9.318 20.589 ( -0.131 0.347 7.672) 7.681 21.061 ( 2.194 0.423 0.841) 2.387 27.502 ( -2.135 -0.721 -0.461) 2.300 27.579 ( 0.406 0.511 -0.220) 0.689 36.686 ( -5.185 -0.644 -1.297) 5.383 37.134 ( -12.453 -1.435 2.785) 12.841 37.402 ( -17.068 -0.506 -4.782) 17.733 40.461 ( 6.955 -1.579 -20.540) 21.743 ======================= Grid point 188 (65/189) ======================= q-point: ( 0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 0.000 29.046 9.712) 30.627 2.272 ( 0.000 26.937 24.537) 36.437 3.343 ( 0.000 41.530 29.703) 51.059 4.183 ( 0.000 0.495 -14.389) 14.398 4.370 ( -0.000 -9.098 -6.813) 11.366 5.519 ( -0.000 -12.049 10.702) 16.115 5.941 ( -0.000 -12.954 -6.787) 14.624 6.354 ( -0.000 -5.385 8.541) 10.096 6.860 ( -0.000 -9.386 18.046) 20.341 7.273 ( 0.000 6.410 -7.617) 9.955 7.534 ( 0.000 27.591 -3.823) 27.855 8.236 ( -0.000 -4.914 -5.541) 7.406 10.292 ( 0.000 6.460 6.346) 9.056 10.553 ( 0.000 7.664 -0.626) 7.689 11.083 ( 0.000 2.682 -10.121) 10.470 11.101 ( 0.000 17.468 -0.313) 17.471 12.739 ( -0.000 -14.229 7.323) 16.003 13.577 ( -0.000 -13.255 -5.896) 14.507 18.453 ( -0.000 -5.525 5.355) 7.694 18.525 ( 0.000 2.562 -0.196) 2.570 18.937 ( -0.000 -7.908 -9.991) 12.742 19.183 ( -0.000 -0.814 -0.208) 0.840 21.087 ( -0.000 -19.892 15.597) 25.278 21.153 ( -0.000 -3.232 3.546) 4.798 27.452 ( 0.000 2.242 -0.372) 2.272 27.577 ( -0.000 -1.231 -0.803) 1.469 36.596 ( 0.000 3.121 -0.001) 3.121 37.008 ( 0.000 11.154 -6.162) 12.743 37.070 ( 0.000 13.300 3.813) 13.836 39.159 ( 0.000 44.063 -48.658) 65.644 ======================= Grid point 189 (66/189) ======================= q-point: ( 0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 6.969 26.093 8.621) 28.350 2.537 ( -8.780 27.945 19.811) 35.362 3.895 ( -2.011 -1.964 -9.538) 9.944 4.045 ( 6.238 17.901 12.887) 22.922 4.461 ( 14.943 4.345 -6.630) 16.915 5.433 ( -4.777 -9.556 6.627) 12.572 5.748 ( -1.915 -11.380 1.359) 11.620 6.266 ( -7.366 -3.704 10.562) 13.399 7.052 ( 17.256 -9.949 9.950) 22.265 7.322 ( 1.917 8.774 -4.110) 9.877 7.778 ( 0.341 22.369 -6.068) 23.180 8.173 ( 0.651 -1.561 -4.604) 4.905 10.325 ( -5.312 6.578 8.689) 12.124 10.750 ( 8.524 3.483 -0.294) 9.212 10.997 ( -0.224 9.731 -4.421) 10.691 11.412 ( 12.769 9.254 -2.696) 15.999 12.433 ( -22.340 -12.291 8.584) 26.904 13.351 ( -5.635 -14.719 -7.315) 17.375 18.387 ( -4.892 -3.107 2.214) 6.204 18.575 ( 2.767 -0.665 1.871) 3.406 18.815 ( 2.376 -8.002 -8.298) 11.770 19.151 ( -2.277 -1.430 -0.941) 2.849 20.963 ( -3.084 -12.437 11.081) 16.940 21.122 ( -1.351 -3.881 2.690) 4.911 27.480 ( 0.657 2.271 -0.486) 2.414 27.561 ( -0.072 -0.479 -0.801) 0.936 36.686 ( 5.072 4.434 1.355) 6.872 37.095 ( 0.983 11.260 -4.804) 12.282 37.373 ( 15.808 12.654 3.004) 20.471 39.288 ( 0.268 26.737 -39.163) 47.420 ======================= Grid point 190 (67/189) ======================= q-point: ( 0.42 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 6.815 21.291 8.343) 23.861 2.848 ( 4.243 26.306 12.109) 29.268 3.666 ( -2.903 -7.345 -13.085) 15.284 4.338 ( 10.869 0.655 -1.126) 10.947 4.783 ( 6.245 13.300 1.823) 14.806 5.206 ( -12.028 -8.978 3.374) 15.384 5.724 ( 6.350 -10.146 5.921) 13.354 6.180 ( -6.773 -1.858 11.018) 13.065 7.265 ( 12.047 -2.987 1.295) 12.479 7.454 ( 5.558 3.440 0.745) 6.578 7.913 ( 1.126 10.713 -4.262) 11.584 8.192 ( -0.195 7.502 -4.038) 8.522 10.376 ( -0.763 3.390 10.276) 10.848 10.806 ( 0.415 1.253 1.902) 2.315 11.224 ( 10.699 9.824 -4.312) 15.152 11.686 ( 11.359 6.798 -3.896) 13.799 11.933 ( -27.150 -8.372 12.075) 30.871 13.036 ( -8.821 -13.550 -8.114) 18.090 18.266 ( -6.889 -1.361 1.132) 7.112 18.566 ( -1.302 -3.208 -2.109) 4.054 18.806 ( 5.838 -5.339 -1.821) 8.118 19.077 ( -2.374 -2.351 -1.917) 3.852 20.870 ( -2.335 -6.672 7.163) 10.064 21.061 ( -2.446 -3.942 1.328) 4.826 27.507 ( 0.666 1.240 -0.213) 1.423 27.563 ( 0.403 1.346 -0.975) 1.710 36.851 ( 6.550 5.876 1.791) 8.979 37.205 ( 2.494 8.842 -2.860) 9.622 37.844 ( 22.729 10.175 3.383) 25.131 39.269 ( -3.748 14.315 -30.564) 33.958 ======================= Grid point 191 (68/189) ======================= q-point: ( 0.50 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 9.341 17.239 2.733) 19.797 3.291 ( 11.825 20.606 8.360) 25.186 3.537 ( 5.200 -10.531 -9.684) 15.223 4.464 ( -0.096 1.560 -3.141) 3.508 4.865 ( -1.682 1.475 -1.161) 2.520 5.007 ( -6.858 2.587 5.059) 8.906 5.739 ( 5.717 -13.852 4.442) 15.630 6.067 ( -9.162 -4.792 5.994) 11.951 7.382 ( -1.596 5.827 -6.478) 8.859 7.592 ( 9.626 -2.235 5.807) 11.462 8.045 ( 6.850 4.875 2.306) 8.718 8.227 ( -3.973 10.343 -4.873) 12.104 10.446 ( 2.560 -3.397 8.432) 9.444 10.888 ( 1.305 3.855 9.160) 10.024 11.349 ( -2.786 2.790 -12.277) 12.894 11.531 ( -14.978 -2.149 14.635) 21.051 11.927 ( 10.524 4.996 -3.076) 12.049 12.740 ( -6.582 -9.356 -6.554) 13.184 18.165 ( -5.027 1.497 1.169) 5.374 18.478 ( -3.474 -3.629 -2.240) 5.500 18.820 ( 0.709 -1.814 -0.802) 2.106 19.033 ( 2.693 -5.102 -1.642) 5.999 20.828 ( -0.660 -2.979 4.276) 5.253 20.979 ( -3.155 -3.465 0.055) 4.686 27.531 ( 0.982 1.095 0.212) 1.486 27.581 ( 0.068 1.923 -1.015) 2.176 37.020 ( 4.106 7.738 -0.388) 8.769 37.322 ( 4.106 4.233 1.252) 6.029 38.355 ( 23.734 7.308 2.709) 24.981 39.137 ( -6.367 6.970 -22.447) 24.351 ======================= Grid point 192 (69/189) ======================= q-point: ( 0.58 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 9.887 8.241 -6.367) 14.360 3.487 ( 7.398 -5.515 -8.208) 12.350 3.746 ( 14.976 9.079 10.541) 20.440 4.222 ( -18.143 -9.165 -0.870) 20.345 4.889 ( -7.980 12.170 -7.636) 16.435 5.075 ( 7.672 7.788 5.037) 12.037 5.734 ( 5.878 -11.493 8.328) 15.362 5.856 ( -8.969 -8.325 4.305) 12.972 7.273 ( -9.348 4.259 -11.499) 15.420 7.754 ( 6.744 -2.077 5.213) 8.773 8.202 ( -6.444 8.641 -4.139) 11.546 8.264 ( 8.916 3.720 7.524) 12.245 10.500 ( 5.759 -7.932 7.468) 12.323 10.864 ( -12.450 -4.425 7.951) 15.421 11.127 ( -10.112 0.041 -13.473) 16.846 11.571 ( 3.514 8.129 15.657) 17.988 12.138 ( 11.545 3.272 -4.616) 12.857 12.551 ( -4.398 -6.101 -4.518) 8.773 18.146 ( -1.638 4.879 0.820) 5.212 18.354 ( -5.817 -2.925 -0.360) 6.521 18.821 ( 2.131 -0.182 -2.277) 3.124 19.023 ( 2.920 -6.558 -0.475) 7.195 20.832 ( 1.035 -0.812 2.326) 2.672 20.888 ( -3.562 -2.674 -0.711) 4.510 27.566 ( 1.279 1.566 0.501) 2.083 27.587 ( -0.795 1.332 -0.779) 1.736 37.120 ( -0.579 7.707 -3.281) 8.396 37.442 ( 4.693 0.518 5.528) 7.270 38.734 ( 7.115 4.244 -10.253) 13.182 39.043 ( 6.801 3.252 -4.067) 8.566 ======================= Grid point 193 (70/189) ======================= q-point: (-0.33 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.163 ( 1.781 -7.188 -9.836) 12.312 3.595 ( 6.932 1.042 -6.192) 9.353 3.750 ( -18.365 -12.883 -0.131) 22.434 4.150 ( 16.911 4.506 10.365) 20.340 4.802 ( -11.307 16.585 -10.485) 22.646 5.241 ( -0.353 3.471 -0.281) 3.500 5.694 ( -2.420 -7.011 6.546) 9.892 5.860 ( 7.074 -1.700 13.909) 15.697 7.076 ( -9.636 4.056 -11.417) 15.481 7.832 ( 3.615 -3.531 1.175) 5.188 8.138 ( -7.080 6.930 -2.780) 10.290 8.461 ( 4.987 0.917 8.842) 10.193 10.528 ( -11.867 -9.410 -2.495) 15.349 10.574 ( 2.971 -5.618 1.281) 6.483 10.950 ( -6.517 1.024 2.686) 7.123 11.846 ( 6.219 7.993 12.574) 16.146 12.296 ( 3.658 -4.062 -6.558) 8.537 12.422 ( 1.931 0.618 -2.174) 2.973 18.166 ( -3.049 2.345 -1.318) 4.066 18.284 ( -0.104 3.690 2.720) 4.585 18.858 ( 4.250 -1.159 -3.596) 5.687 18.998 ( 1.478 -5.756 0.623) 5.975 20.798 ( -3.756 -1.795 -0.850) 4.249 20.867 ( 2.229 0.168 1.100) 2.492 27.573 ( -1.364 0.554 -0.430) 1.534 27.606 ( 0.903 1.662 0.538) 1.966 37.120 ( -4.253 4.848 -3.507) 7.341 37.538 ( 2.198 -0.371 6.417) 6.794 38.586 ( -11.008 1.118 -14.579) 18.302 39.377 ( 20.494 2.207 3.745) 20.950 ======================= Grid point 194 (71/189) ======================= q-point: (-0.25 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( -5.168 -6.163 -3.598) 8.811 3.201 ( -22.211 -12.410 0.193) 25.444 3.748 ( 7.849 -2.326 -4.193) 9.198 4.540 ( 16.679 0.186 7.728) 18.384 4.753 ( -5.076 19.311 -12.239) 23.420 5.185 ( -5.026 -0.671 0.801) 5.134 5.659 ( 0.698 -4.941 1.995) 5.374 5.928 ( -9.796 -1.885 12.643) 16.105 6.956 ( -4.320 6.847 -6.030) 10.095 7.817 ( -0.593 -3.900 -2.584) 4.715 8.092 ( -2.989 4.141 -1.119) 5.229 8.528 ( -1.522 -2.148 6.536) 7.046 10.237 ( -7.783 -3.053 -5.573) 10.048 10.610 ( 2.346 -0.867 1.339) 2.837 10.966 ( 4.677 -2.915 9.961) 11.384 11.978 ( -4.414 2.135 5.909) 7.678 12.115 ( -6.705 -6.891 -6.069) 11.370 12.634 ( 14.462 4.034 -0.527) 15.024 18.124 ( -1.347 1.129 0.019) 1.758 18.403 ( 4.047 6.869 1.917) 8.199 18.892 ( 4.282 -2.345 -5.070) 7.039 18.981 ( 1.802 -3.839 1.642) 4.548 20.717 ( -3.692 -0.934 -0.286) 3.819 20.918 ( 2.778 0.377 0.423) 2.835 27.550 ( -1.290 -0.039 -0.140) 1.298 27.629 ( -0.218 1.221 0.251) 1.266 37.042 ( -6.635 2.014 -2.171) 7.266 37.565 ( -2.177 -0.682 4.732) 5.253 38.304 ( -14.762 0.776 -9.719) 17.691 39.748 ( 19.227 0.722 0.469) 19.246 ======================= Grid point 195 (72/189) ======================= q-point: (-0.17 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -26.844 -7.765 4.813) 28.356 2.905 ( -10.511 -3.914 2.195) 11.429 3.835 ( 8.103 -1.509 -3.841) 9.093 4.597 ( -7.208 5.765 -5.922) 10.966 5.024 ( 14.020 2.743 -3.114) 14.621 5.130 ( 2.033 2.751 0.215) 3.428 5.497 ( -20.837 -3.324 0.157) 21.101 5.754 ( -3.463 -5.489 11.825) 13.489 6.964 ( -3.560 9.592 0.199) 10.233 7.713 ( -5.285 -3.508 -2.959) 7.000 8.104 ( 1.825 1.391 -1.918) 2.991 8.437 ( -8.242 -3.792 2.531) 9.419 10.135 ( -1.786 -2.470 2.399) 3.879 10.716 ( 7.445 9.023 -4.402) 12.499 11.108 ( 7.961 -4.961 11.902) 15.154 11.806 ( -9.898 -7.039 -0.565) 12.159 11.935 ( -9.220 -1.393 -1.619) 9.465 12.934 ( 16.727 2.056 -1.202) 16.896 18.159 ( 3.203 1.741 0.780) 3.728 18.529 ( 2.781 2.815 1.164) 4.125 18.914 ( 4.069 -0.420 -5.945) 7.216 19.012 ( 4.111 -1.481 1.720) 4.696 20.655 ( -3.057 -0.119 1.406) 3.367 20.972 ( 2.885 0.235 0.272) 2.907 27.530 ( -0.734 -0.279 -0.057) 0.787 27.623 ( -1.511 0.519 -0.233) 1.614 36.922 ( -7.810 1.000 -0.548) 7.893 37.491 ( -6.809 -2.476 1.240) 7.350 38.008 ( -17.383 3.616 -3.803) 18.158 40.039 ( 16.218 -1.208 -6.352) 17.459 ======================= Grid point 196 (73/189) ======================= q-point: (-0.08 0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -27.938 -3.581 8.045) 29.293 2.601 ( -25.061 -1.802 4.131) 25.463 3.962 ( 9.885 -0.812 -4.832) 11.033 4.373 ( -23.928 2.994 -6.215) 24.903 4.890 ( -19.009 1.447 -2.572) 19.237 5.149 ( -1.818 -0.681 8.845) 9.056 5.458 ( 15.214 -5.592 -1.304) 16.262 5.845 ( 9.643 2.632 9.233) 13.608 7.023 ( -3.094 9.807 6.614) 12.227 7.546 ( -9.713 -0.223 -1.729) 9.868 8.110 ( -3.579 -2.473 -6.572) 7.882 8.250 ( -6.199 -0.637 1.016) 6.314 10.109 ( -1.156 -1.647 4.830) 5.232 10.913 ( 5.433 3.768 -7.797) 10.223 11.208 ( -2.063 1.435 7.134) 7.563 11.598 ( -2.959 -8.680 3.840) 9.942 11.794 ( -1.688 -1.142 -0.758) 2.175 13.220 ( 16.898 -0.701 -2.975) 17.172 18.246 ( 5.312 -2.167 0.216) 5.741 18.562 ( 0.282 0.487 0.760) 0.945 18.963 ( 4.241 0.503 -4.854) 6.465 19.113 ( 6.242 2.452 -0.351) 6.716 20.637 ( -0.894 0.592 5.393) 5.498 21.024 ( 2.807 -0.054 0.689) 2.891 27.518 ( -0.620 -0.047 -0.280) 0.682 27.592 ( -1.696 -0.143 -0.595) 1.803 36.805 ( -7.359 2.538 0.886) 7.834 37.296 ( -10.507 -5.552 -2.266) 12.098 37.756 ( -18.642 9.242 1.948) 20.899 40.180 ( 9.868 -3.894 -19.246) 21.976 ======================= Grid point 201 (74/189) ======================= q-point: ( 0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 0.000 25.452 6.081) 26.168 2.970 ( 0.000 18.176 19.344) 26.543 3.881 ( 0.000 1.234 -7.196) 7.302 3.970 ( -0.000 -17.355 -16.286) 23.800 4.552 ( 0.000 36.469 13.930) 39.039 5.433 ( -0.000 -7.562 8.214) 11.164 5.617 ( -0.000 -14.600 -0.784) 14.621 6.408 ( -0.000 -0.027 10.756) 10.756 6.819 ( -0.000 -8.986 5.136) 10.350 7.390 ( 0.000 10.718 0.591) 10.734 7.904 ( 0.000 6.271 -8.966) 10.941 8.201 ( 0.000 14.601 -1.496) 14.677 10.566 ( 0.000 10.671 11.245) 15.503 10.592 ( -0.000 -8.642 2.026) 8.876 11.058 ( 0.000 7.488 -4.292) 8.631 11.434 ( 0.000 17.561 -2.923) 17.803 12.544 ( -0.000 -12.761 6.133) 14.158 13.197 ( -0.000 -16.688 -8.598) 18.773 18.395 ( -0.000 -6.214 6.004) 8.641 18.565 ( -0.000 -1.007 0.166) 1.020 18.660 ( 0.000 -5.785 -10.439) 11.935 19.161 ( -0.000 -1.217 0.084) 1.220 20.923 ( -0.000 -10.663 8.798) 13.824 21.105 ( -0.000 -4.550 2.165) 5.039 27.497 ( 0.000 2.666 -0.568) 2.726 27.551 ( -0.000 -0.540 -0.634) 0.833 36.693 ( 0.000 5.475 0.965) 5.559 37.168 ( 0.000 11.708 -6.019) 13.164 37.405 ( 0.000 15.085 4.997) 15.891 39.340 ( 0.000 20.858 -32.999) 39.039 ======================= Grid point 202 (75/189) ======================= q-point: ( 0.42 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 5.216 21.328 4.799) 22.475 3.140 ( -4.267 9.868 13.802) 17.495 3.617 ( -7.168 -6.944 -13.393) 16.703 4.029 ( 15.770 -2.702 -9.785) 18.755 4.972 ( -0.706 25.966 11.199) 28.287 5.315 ( -8.166 -9.168 5.536) 13.468 5.536 ( 4.926 -10.654 2.294) 11.960 6.366 ( -8.893 0.429 7.256) 11.486 6.929 ( 17.395 -6.614 1.641) 18.682 7.519 ( -0.574 10.838 4.518) 11.756 7.885 ( 3.161 -1.278 -8.021) 8.716 8.361 ( -2.785 19.973 -1.560) 20.227 10.444 ( -2.314 -11.134 6.724) 13.211 10.792 ( 4.362 5.473 10.045) 12.243 11.178 ( 4.681 13.268 -5.022) 14.939 11.630 ( 4.893 13.962 -4.226) 15.387 12.291 ( -17.467 -11.023 7.981) 22.143 12.951 ( -3.591 -15.707 -9.539) 18.724 18.317 ( -3.706 -6.592 2.590) 7.993 18.574 ( 5.038 -6.138 -7.260) 10.760 18.602 ( 0.808 0.755 1.307) 1.712 19.119 ( -3.397 -1.209 -0.285) 3.617 20.865 ( -0.934 -7.125 6.283) 9.546 21.058 ( -1.259 -4.500 1.132) 4.808 27.516 ( -0.191 1.614 -0.293) 1.652 27.557 ( 1.093 0.977 -0.782) 1.662 36.808 ( 5.821 5.337 1.928) 8.129 37.252 ( 0.110 10.635 -5.418) 11.936 37.686 ( 11.838 13.408 5.460) 18.701 39.320 ( -3.312 13.195 -26.710) 29.975 ======================= Grid point 203 (76/189) ======================= q-point: ( 0.50 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 4.637 17.520 2.732) 18.328 3.221 ( 8.006 -9.094 0.936) 12.152 3.480 ( -3.771 8.775 0.495) 9.564 4.278 ( 17.845 2.990 -8.513) 19.997 5.000 ( -12.794 -4.463 4.716) 14.348 5.220 ( -6.179 11.386 8.212) 15.338 5.527 ( 4.370 -10.533 0.708) 11.426 6.196 ( -10.236 -4.293 -2.380) 11.352 7.241 ( 19.479 -2.854 5.600) 20.468 7.585 ( -5.402 7.903 1.952) 9.770 7.948 ( 8.347 1.011 -2.842) 8.875 8.454 ( -6.562 16.913 -2.283) 18.284 10.357 ( 2.744 -14.716 7.199) 16.611 10.983 ( 2.460 9.947 12.141) 15.888 11.342 ( 2.590 8.714 -8.637) 12.540 11.738 ( -4.140 0.632 -2.861) 5.072 11.965 ( -10.934 -0.128 8.763) 14.013 12.690 ( -4.192 -11.182 -8.807) 14.838 18.218 ( -1.801 -4.584 1.532) 5.158 18.513 ( -3.831 1.941 -5.915) 7.310 18.687 ( 8.277 -6.334 2.668) 10.759 19.028 ( -4.927 -1.185 -1.103) 5.186 20.825 ( -0.409 -3.991 4.052) 5.703 20.989 ( -2.179 -3.734 0.083) 4.324 27.529 ( 0.545 1.049 0.167) 1.194 27.587 ( 0.904 1.837 -0.961) 2.262 36.999 ( 7.857 5.348 3.194) 10.027 37.320 ( 0.446 7.664 -4.929) 9.123 38.096 ( 18.185 9.779 5.376) 21.336 39.207 ( -6.532 7.420 -20.274) 22.556 ======================= Grid point 204 (77/189) ======================= q-point: ( 0.58 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( 1.648 14.040 -2.369) 14.333 3.224 ( 8.474 -10.669 -6.042) 14.904 3.659 ( 9.405 4.610 11.951) 15.891 4.424 ( -8.979 0.011 -5.569) 10.566 4.892 ( 10.383 0.949 3.727) 11.072 5.242 ( -10.047 14.851 2.129) 18.057 5.507 ( 6.456 -11.717 2.521) 13.613 5.930 ( -9.907 -7.881 -5.579) 13.834 7.467 ( -5.706 4.916 -0.538) 7.550 7.555 ( 8.131 -4.545 1.829) 9.493 8.155 ( 11.533 3.695 3.722) 12.669 8.449 ( -9.428 12.632 -2.302) 15.930 10.328 ( 6.095 -14.205 7.302) 17.095 11.126 ( -11.031 3.428 11.752) 16.479 11.227 ( -8.499 3.166 -13.571) 16.322 11.660 ( 1.051 0.632 9.952) 10.027 12.001 ( 4.545 4.185 -1.897) 6.463 12.516 ( -2.041 -5.574 -6.514) 8.813 18.194 ( 0.898 -0.574 2.058) 2.318 18.421 ( -5.670 1.138 -3.785) 6.912 18.764 ( 5.106 -4.152 1.735) 6.806 18.937 ( -2.082 -2.392 -1.806) 3.650 20.817 ( 0.704 -1.820 2.317) 3.030 20.914 ( -2.790 -2.561 -0.544) 3.826 27.559 ( 1.392 1.187 0.441) 1.882 27.606 ( -0.146 1.544 -0.838) 1.763 37.185 ( 3.553 7.072 2.214) 8.218 37.373 ( 3.221 1.990 -2.357) 4.460 38.531 ( 18.931 6.909 3.543) 20.461 39.043 ( -7.183 3.142 -13.516) 15.625 ======================= Grid point 205 (78/189) ======================= q-point: (-0.33 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( -3.902 -0.752 -4.513) 6.013 3.379 ( 12.338 1.808 -4.969) 13.423 3.945 ( 14.627 -2.025 10.991) 18.407 4.045 ( -23.427 -6.044 -1.330) 24.230 5.103 ( -6.566 15.052 -6.418) 17.632 5.289 ( 0.731 9.205 2.941) 9.691 5.607 ( 18.150 -8.722 4.292) 20.589 5.692 ( -4.724 -7.730 -1.820) 9.241 7.294 ( -13.902 4.675 -2.249) 14.838 7.682 ( 8.828 -5.605 -0.168) 10.459 8.360 ( -8.714 7.621 -0.735) 11.600 8.399 ( 6.732 1.931 4.807) 8.494 10.366 ( 8.476 -11.593 7.555) 16.227 10.754 ( -20.104 -2.834 -10.379) 22.802 11.139 ( -10.140 2.118 7.467) 12.770 11.855 ( 8.938 4.951 7.835) 12.876 12.121 ( 7.202 0.092 -3.790) 8.139 12.413 ( -2.050 -1.787 -4.248) 5.044 18.244 ( 0.247 3.546 0.916) 3.671 18.314 ( -3.408 -0.760 -0.555) 3.536 18.800 ( 1.247 0.037 -0.666) 1.414 18.898 ( 2.541 -4.933 -0.784) 5.605 20.835 ( 0.753 -0.815 0.753) 1.342 20.840 ( -2.149 -1.185 -0.260) 2.467 27.600 ( 1.333 1.003 0.369) 1.709 27.602 ( -0.984 1.009 -0.442) 1.477 37.242 ( -4.527 6.394 -0.867) 7.882 37.468 ( 6.912 -1.562 1.469) 7.237 38.744 ( -8.179 6.954 -6.410) 12.503 39.049 ( 17.982 -1.106 -0.144) 18.016 ======================= Grid point 206 (79/189) ======================= q-point: (-0.25 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.024 ( -3.023 0.323 -0.127) 3.043 3.545 ( -9.160 -5.757 -1.716) 10.954 3.577 ( -6.521 2.082 -2.631) 7.333 4.242 ( 18.185 -4.453 6.065) 19.680 5.036 ( -11.768 15.040 -7.032) 20.351 5.279 ( -5.705 0.171 2.179) 6.109 5.596 ( 0.794 -4.753 -1.884) 5.174 5.910 ( 13.623 -4.506 3.885) 14.866 7.128 ( -9.764 5.944 1.824) 11.576 7.742 ( 4.205 -3.088 -2.636) 5.845 8.238 ( -9.384 3.714 -0.707) 10.117 8.517 ( 3.047 -2.855 3.703) 5.581 10.369 ( -11.404 -1.799 -4.505) 12.393 10.483 ( 6.792 -4.671 2.475) 8.607 11.032 ( -7.648 -0.189 9.790) 12.425 12.022 ( 5.421 -3.970 -5.933) 8.964 12.132 ( -4.972 1.930 2.022) 5.704 12.454 ( 8.886 2.084 -0.411) 9.137 18.186 ( -4.973 1.309 -0.637) 5.182 18.382 ( 5.358 1.469 1.907) 5.874 18.812 ( 1.136 1.129 -2.919) 3.330 18.908 ( 3.169 -3.539 0.771) 4.813 20.772 ( -3.440 -0.281 -0.073) 3.452 20.874 ( 2.619 -0.285 0.321) 2.654 27.580 ( -1.825 0.407 -0.179) 1.879 27.633 ( 0.929 0.478 0.144) 1.054 37.183 ( -7.045 3.311 -0.089) 7.785 37.548 ( 3.468 -2.422 0.126) 4.232 38.561 ( -14.632 6.011 -2.738) 16.054 39.393 ( 20.928 -1.385 -1.883) 21.058 ======================= Grid point 207 (80/189) ======================= q-point: (-0.17 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.026 ( -2.965 5.228 6.054) 8.530 3.087 ( -26.440 -0.841 2.960) 26.618 3.696 ( 6.681 2.076 -4.590) 8.367 4.516 ( 16.118 -6.304 -0.698) 17.321 4.952 ( -7.315 9.990 -5.706) 13.633 5.202 ( -4.513 -0.656 3.889) 5.993 5.557 ( 0.663 -2.598 -4.802) 5.499 5.907 ( -6.517 -9.081 3.436) 11.694 7.118 ( -3.383 7.520 7.510) 11.153 7.739 ( -0.660 0.238 -4.279) 4.336 8.130 ( -4.754 0.554 -0.570) 4.820 8.489 ( -2.418 -5.362 0.097) 5.883 10.213 ( -5.633 2.906 0.698) 6.376 10.617 ( 9.042 0.155 1.707) 9.203 11.003 ( 0.544 -4.644 10.715) 11.691 11.888 ( -5.753 -5.699 -9.206) 12.261 12.090 ( -7.270 3.927 1.704) 8.437 12.670 ( 13.739 0.167 -0.671) 13.756 18.143 ( -0.785 0.165 0.303) 0.857 18.477 ( 4.672 -2.417 0.421) 5.277 18.848 ( 2.356 4.011 -3.601) 5.883 18.945 ( 3.426 -0.870 1.590) 3.876 20.718 ( -3.186 0.529 1.124) 3.420 20.921 ( 3.053 -0.335 0.020) 3.072 27.551 ( -1.648 0.136 0.009) 1.654 27.639 ( -0.329 -0.317 -0.353) 0.577 37.081 ( -8.093 2.305 1.437) 8.537 37.523 ( -1.882 -4.416 -2.840) 5.578 38.364 ( -16.398 8.703 2.710) 18.762 39.685 ( 17.977 -2.896 -7.828) 19.821 ======================= Grid point 208 (81/189) ======================= q-point: (-0.08 0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.667 ( -27.270 5.413 5.149) 28.274 2.998 ( -15.044 6.195 7.647) 17.977 3.813 ( 6.820 4.799 -5.193) 9.824 4.564 ( -3.317 -2.922 -5.418) 6.992 4.978 ( 8.578 -1.787 -5.747) 10.479 5.103 ( -7.397 -2.593 -4.721) 9.150 5.501 ( -6.714 -0.962 7.542) 10.143 5.773 ( 2.652 -3.788 8.602) 9.766 7.185 ( -3.015 4.436 11.684) 12.856 7.695 ( -4.302 5.987 -4.668) 8.726 8.073 ( -0.983 -1.768 -3.044) 3.655 8.350 ( -6.283 -4.142 -2.774) 8.020 10.190 ( -3.759 3.147 6.100) 7.825 10.802 ( 8.172 3.952 -3.660) 9.787 11.049 ( 7.853 -14.086 12.968) 20.694 11.680 ( -9.131 -0.491 -7.488) 11.819 11.983 ( -9.832 6.284 0.187) 11.671 12.899 ( 15.478 -2.750 -3.141) 16.031 18.146 ( 2.017 -3.562 0.044) 4.093 18.511 ( 4.216 -3.551 -0.242) 5.518 18.903 ( 1.802 2.292 -3.577) 4.614 19.047 ( 5.440 4.089 1.230) 6.916 20.692 ( -1.846 0.970 3.402) 3.990 20.972 ( 3.250 -0.584 0.215) 3.309 27.530 ( -0.923 0.273 -0.063) 0.965 27.613 ( -1.497 -0.891 -0.786) 1.911 36.981 ( -7.877 3.660 2.525) 9.046 37.372 ( -7.011 -5.862 -4.223) 10.067 38.203 ( -17.568 12.254 6.422) 22.362 39.846 ( 12.413 -4.782 -17.215) 21.756 ======================= Grid point 214 (82/189) ======================= q-point: ( 0.42 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 0.000 17.184 2.372) 17.347 3.178 ( -0.000 -15.719 -4.937) 16.476 3.619 ( 0.000 3.778 0.503) 3.812 3.839 ( 0.000 4.388 -6.607) 7.932 5.332 ( 0.000 15.687 16.177) 22.534 5.348 ( -0.000 -13.043 1.720) 13.156 5.396 ( 0.000 6.505 1.864) 6.766 6.568 ( -0.000 4.002 9.790) 10.577 6.625 ( -0.000 -8.441 -7.064) 11.007 7.683 ( 0.000 12.206 7.854) 14.515 7.770 ( 0.000 -3.706 -9.124) 9.848 8.578 ( 0.000 18.760 -1.465) 18.817 10.310 ( -0.000 -20.876 6.448) 21.849 10.918 ( 0.000 10.807 12.772) 16.731 11.253 ( 0.000 15.317 -6.951) 16.820 11.716 ( 0.000 14.182 -4.251) 14.805 12.367 ( -0.000 -12.362 7.188) 14.300 12.762 ( -0.000 -15.587 -10.637) 18.871 18.341 ( -0.000 -5.286 5.185) 7.405 18.351 ( -0.000 -9.325 -5.517) 10.835 18.647 ( 0.000 3.855 -2.524) 4.607 19.139 ( -0.000 -1.128 0.274) 1.160 20.837 ( -0.000 -5.857 4.911) 7.643 21.029 ( -0.000 -4.345 0.559) 4.381 27.542 ( 0.000 2.381 -0.581) 2.450 27.542 ( 0.000 0.155 -0.342) 0.375 36.808 ( 0.000 4.916 0.355) 4.929 37.341 ( 0.000 9.783 -1.705) 9.931 37.749 ( 0.000 13.527 4.792) 14.351 39.333 ( 0.000 9.718 -21.930) 23.987 ======================= Grid point 215 (83/189) ======================= q-point: ( 0.50 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 2.907 -12.775 -7.710) 15.202 2.980 ( 6.322 9.506 1.399) 11.502 3.654 ( -4.058 5.124 6.272) 9.059 3.982 ( 13.302 5.149 -5.469) 15.277 5.151 ( -9.054 -9.539 2.731) 13.433 5.376 ( 2.147 -6.782 5.765) 9.157 5.587 ( -8.081 21.207 6.915) 23.724 6.318 ( -12.416 -5.111 -7.241) 15.255 6.903 ( 19.336 -0.727 4.822) 19.941 7.764 ( 6.363 -0.834 -3.511) 7.315 7.801 ( -2.822 9.270 3.500) 10.302 8.699 ( -4.200 14.622 -2.030) 15.348 10.166 ( 2.855 -19.728 7.549) 21.315 11.109 ( 2.581 10.082 11.556) 15.551 11.371 ( 0.835 13.402 -9.202) 16.279 11.804 ( -2.034 7.431 -4.727) 9.039 12.174 ( -10.886 -9.679 8.737) 16.986 12.568 ( -0.342 -10.863 -9.575) 14.485 18.194 ( -2.302 -6.006 -0.604) 6.460 18.421 ( 8.209 -4.613 -0.878) 9.457 18.645 ( -2.617 2.482 -0.279) 3.617 19.097 ( -3.750 -0.888 0.078) 3.855 20.809 ( -0.033 -3.997 3.381) 5.235 20.981 ( -1.048 -3.418 -0.089) 3.576 27.536 ( -0.237 0.718 -0.008) 0.756 27.578 ( 1.405 1.693 -0.689) 2.305 36.914 ( 6.719 3.745 0.447) 7.705 37.407 ( -2.085 8.048 -0.494) 8.329 37.983 ( 9.806 9.941 4.460) 14.658 39.275 ( -4.226 6.887 -15.915) 17.849 ======================= Grid point 216 (84/189) ======================= q-point: ( 0.58 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.931 ( 9.586 -9.116 -3.707) 13.738 3.215 ( 5.556 11.036 -0.503) 12.366 3.662 ( -1.250 -1.098 9.084) 9.235 4.305 ( 19.439 7.199 -6.545) 21.738 4.888 ( -11.498 -9.360 4.335) 15.447 5.363 ( 1.664 -6.276 1.427) 6.648 5.630 ( -12.329 18.219 6.801) 23.026 5.997 ( -11.779 -7.024 -10.029) 16.990 7.219 ( 17.079 -3.867 1.269) 17.557 7.751 ( -10.515 4.989 2.073) 11.822 7.970 ( 14.104 2.439 0.280) 14.316 8.704 ( -7.867 9.970 -2.322) 12.911 10.107 ( 6.107 -15.779 7.535) 18.522 11.314 ( 1.131 8.309 1.902) 8.599 11.374 ( -6.731 6.189 -5.843) 10.851 11.696 ( -7.181 -2.709 1.368) 7.796 12.035 ( -3.235 -1.601 5.546) 6.617 12.450 ( 0.137 -3.200 -6.966) 7.667 18.146 ( 1.870 -3.317 0.761) 3.883 18.487 ( 1.456 1.231 -5.247) 5.582 18.634 ( 1.920 -2.724 4.072) 5.262 19.004 ( -5.807 -0.404 -0.401) 5.834 20.796 ( 0.583 -2.350 1.962) 3.116 20.928 ( -1.818 -2.024 -0.472) 2.761 27.550 ( 0.919 0.633 0.272) 1.149 27.610 ( 0.837 1.388 -0.664) 1.752 37.097 ( 10.186 2.089 0.723) 10.423 37.425 ( -3.526 5.921 -0.385) 6.902 38.304 ( 16.034 4.869 3.507) 17.120 39.162 ( -8.026 5.574 -9.257) 13.460 ======================= Grid point 217 (85/189) ======================= q-point: ( 0.67 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 10.038 -2.910 -0.384) 10.458 3.322 ( -2.785 9.321 -5.255) 11.057 3.732 ( 9.669 -8.789 10.228) 16.594 4.380 ( -18.243 1.513 -4.290) 18.802 4.947 ( 26.526 -0.407 2.711) 26.668 5.331 ( 0.570 -3.819 -0.597) 3.907 5.617 ( -12.920 14.983 4.352) 20.257 5.700 ( -7.848 -7.284 -6.042) 12.294 7.432 ( 13.182 -4.097 -2.175) 13.975 7.577 ( -13.764 2.527 0.984) 14.029 8.240 ( 12.862 0.264 2.635) 13.132 8.610 ( -10.365 5.276 -1.880) 11.781 10.145 ( 8.666 -10.237 7.050) 15.152 11.020 ( -19.664 -0.222 -15.595) 25.098 11.413 ( -10.456 3.665 13.747) 17.656 11.686 ( 9.443 -3.366 -4.464) 10.974 12.063 ( 3.187 1.536 5.158) 6.255 12.410 ( -0.946 1.335 -4.483) 4.773 18.190 ( 4.892 -1.452 1.331) 5.274 18.427 ( -6.740 2.859 -3.217) 7.997 18.710 ( 6.883 -3.173 2.492) 7.979 18.903 ( -5.040 0.231 -0.808) 5.110 20.803 ( 1.442 -1.304 0.814) 2.108 20.875 ( -2.431 -0.617 -0.438) 2.546 27.580 ( 1.696 0.291 0.311) 1.748 27.624 ( -0.337 0.928 -0.416) 1.072 37.289 ( 9.925 0.194 -0.101) 9.928 37.399 ( -4.906 3.480 0.461) 6.032 38.653 ( 19.786 0.671 0.999) 19.822 39.020 ( -11.031 5.740 -2.719) 12.728 ======================= Grid point 218 (86/189) ======================= q-point: (-0.25 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( -2.547 4.290 4.797) 6.922 3.368 ( 7.847 3.138 -7.180) 11.089 3.905 ( 15.834 -9.735 4.166) 19.048 3.987 ( -24.431 1.323 -0.422) 24.470 5.279 ( -3.893 5.819 -0.058) 7.001 5.398 ( 6.390 -2.800 -5.807) 9.077 5.506 ( 6.500 -3.787 4.231) 8.631 5.604 ( -1.613 2.747 -0.087) 3.187 7.388 ( -11.843 3.289 4.733) 13.171 7.580 ( 9.509 -1.607 -4.631) 10.698 8.406 ( 7.275 -4.321 1.130) 8.537 8.444 ( -11.317 0.977 -0.741) 11.383 10.268 ( 9.704 -5.025 6.425) 12.677 10.618 ( -17.040 2.205 -12.800) 21.426 11.290 ( -13.282 0.740 14.354) 19.571 11.761 ( 9.678 -8.309 -12.399) 17.788 12.210 ( 5.153 3.870 7.387) 9.803 12.389 ( -0.918 2.637 -2.918) 4.039 18.279 ( 6.102 -1.945 0.710) 6.444 18.310 ( -7.672 1.654 -0.808) 7.890 18.808 ( 5.255 -0.373 0.867) 5.339 18.842 ( -2.167 1.526 -0.770) 2.760 20.826 ( 0.010 -0.282 0.082) 0.294 20.829 ( -0.660 -0.103 -0.083) 0.674 27.610 ( 1.246 -0.271 0.086) 1.278 27.614 ( -1.067 0.348 -0.086) 1.125 37.334 ( -6.253 1.633 1.969) 6.756 37.421 ( 6.971 -2.123 -2.292) 7.639 38.876 ( -13.201 7.345 3.078) 15.417 38.996 ( 21.017 -2.026 -2.758) 21.294 ======================= Grid point 219 (87/189) ======================= q-point: (-0.17 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( -2.088 10.200 9.200) 13.894 3.487 ( -3.322 4.162 -6.282) 8.236 3.643 ( -11.908 5.207 1.911) 13.137 4.111 ( 18.665 -10.444 -1.855) 21.469 5.217 ( -11.298 7.112 0.054) 13.351 5.301 ( -5.412 -2.902 6.568) 8.992 5.489 ( -1.073 -1.305 -6.473) 6.690 5.738 ( 10.682 -12.269 -4.839) 16.971 7.323 ( -6.076 5.699 11.451) 14.160 7.673 ( 5.324 1.012 -7.325) 9.112 8.257 ( -9.430 -1.296 0.718) 9.546 8.424 ( 2.101 -7.045 -1.683) 7.542 10.363 ( -5.900 4.018 -1.261) 7.249 10.462 ( 7.477 0.738 0.292) 7.519 11.153 ( -11.590 -0.552 14.583) 18.636 11.727 ( 6.186 -9.920 -14.718) 18.796 12.283 ( -6.505 6.813 2.229) 9.680 12.470 ( 9.705 -0.719 0.466) 9.743 18.204 ( -5.592 0.442 0.483) 5.630 18.344 ( 5.296 -5.261 -0.553) 7.485 18.860 ( 0.743 5.177 -1.181) 5.362 18.891 ( 3.868 0.946 0.986) 4.102 20.786 ( -3.103 1.231 0.779) 3.428 20.862 ( 2.941 -0.890 -0.404) 3.099 27.585 ( -1.994 0.155 0.194) 2.009 27.624 ( 0.835 -1.136 -0.362) 1.456 37.246 ( -7.091 1.152 3.401) 7.948 37.451 ( 2.381 -4.403 -4.574) 6.780 38.752 ( -14.441 9.927 7.426) 19.032 39.288 ( 19.229 -3.695 -7.880) 21.107 ======================= Grid point 220 (88/189) ======================= q-point: (-0.08 0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -24.159 11.532 0.859) 26.784 3.327 ( -6.364 12.398 12.705) 18.858 3.737 ( 6.914 7.445 -5.278) 11.449 4.301 ( 17.350 -10.910 -5.513) 21.223 5.031 ( -13.603 1.183 0.553) 13.666 5.195 ( -8.673 -2.531 -2.883) 9.484 5.479 ( 5.445 -2.345 -0.254) 5.933 5.687 ( 4.897 -13.109 1.423) 14.066 7.368 ( -4.736 4.200 15.183) 16.449 7.711 ( 2.955 2.764 -10.150) 10.927 8.119 ( -6.095 -0.778 1.677) 6.369 8.343 ( -1.342 -5.977 -4.412) 7.549 10.339 ( -3.930 6.590 3.464) 8.419 10.648 ( 10.956 0.950 1.098) 11.052 11.039 ( -8.575 -3.817 14.325) 17.126 11.643 ( 3.312 -6.897 -14.037) 15.986 12.216 ( -9.165 7.467 0.159) 11.823 12.634 ( 10.899 -2.559 -0.883) 11.230 18.127 ( -3.116 -1.932 0.286) 3.677 18.367 ( 5.623 -6.506 -0.545) 8.617 18.905 ( -0.310 4.019 -2.709) 4.857 19.006 ( 5.605 4.151 1.838) 7.213 20.757 ( -2.590 1.504 2.024) 3.615 20.905 ( 3.419 -1.104 -0.407) 3.615 27.555 ( -1.668 0.191 0.200) 1.691 27.612 ( -0.309 -1.516 -0.736) 1.714 37.159 ( -7.046 2.432 3.710) 8.326 37.373 ( -2.442 -5.375 -4.696) 7.544 38.655 ( -15.458 12.502 9.737) 22.138 39.478 ( 14.585 -5.155 -14.978) 21.532 ======================= Grid point 227 (89/189) ======================= q-point: ( 0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -0.000 -12.211 -4.727) 13.094 3.025 ( 0.000 7.920 0.792) 7.959 3.755 ( -0.000 1.012 5.310) 5.405 3.903 ( 0.000 5.660 -2.813) 6.320 5.144 ( -0.000 -7.929 -0.565) 7.949 5.327 ( -0.000 -4.775 4.076) 6.279 5.928 ( 0.000 19.706 7.858) 21.215 6.370 ( -0.000 -8.496 -7.320) 11.214 6.713 ( 0.000 1.877 2.350) 3.008 7.642 ( 0.000 -0.575 -4.213) 4.252 7.956 ( 0.000 6.887 3.967) 7.948 8.849 ( 0.000 10.339 -2.561) 10.652 9.992 ( -0.000 -17.708 8.074) 19.461 11.213 ( 0.000 5.508 7.219) 9.080 11.461 ( 0.000 15.068 -10.901) 18.598 11.879 ( 0.000 6.169 -2.862) 6.801 12.209 ( -0.000 -12.627 9.141) 15.588 12.422 ( 0.000 -5.712 -8.773) 10.469 18.163 ( -0.000 -4.228 -3.257) 5.337 18.294 ( -0.000 -3.902 2.672) 4.729 18.697 ( 0.000 2.756 -0.460) 2.794 19.124 ( -0.000 -0.845 0.451) 0.958 20.788 ( -0.000 -3.284 2.407) 4.072 20.959 ( -0.000 -2.433 -0.332) 2.455 27.545 ( 0.000 0.309 -0.078) 0.319 27.576 ( 0.000 1.560 -0.447) 1.623 36.885 ( 0.000 2.944 -0.706) 3.028 37.507 ( 0.000 5.100 4.359) 6.709 37.999 ( 0.000 7.314 0.671) 7.345 39.311 ( 0.000 6.821 -9.471) 11.671 ======================= Grid point 228 (90/189) ======================= q-point: ( 0.58 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 5.596 -3.276 1.998) 6.785 3.166 ( 7.793 4.795 1.902) 9.346 3.738 ( -3.805 -2.452 4.169) 6.154 4.042 ( 12.402 4.113 -3.021) 13.411 5.005 ( -7.980 -5.221 -1.445) 9.645 5.307 ( 0.642 -3.824 1.729) 4.246 6.040 ( -8.553 11.044 0.792) 13.991 6.103 ( -14.687 -2.861 -0.617) 14.975 6.895 ( 16.116 -2.655 -2.831) 16.577 7.744 ( 11.070 1.698 0.971) 11.242 7.959 ( -5.872 2.021 0.192) 6.213 8.875 ( -4.362 5.715 -3.067) 7.817 9.917 ( 3.875 -12.276 7.627) 14.963 11.294 ( 4.242 -1.281 -0.988) 4.540 11.501 ( -5.025 11.657 -12.675) 17.938 11.862 ( -7.073 2.851 3.244) 8.288 12.085 ( -3.942 -9.106 8.072) 12.792 12.385 ( 1.926 1.122 -5.190) 5.648 18.107 ( -0.612 -1.621 -0.451) 1.790 18.349 ( 7.558 -2.098 -0.862) 7.891 18.692 ( -3.235 1.623 1.331) 3.856 19.085 ( -3.711 -0.527 0.303) 3.761 20.773 ( 0.401 -2.326 1.303) 2.696 20.932 ( -0.846 -1.022 -0.462) 1.405 27.546 ( 0.064 0.230 0.106) 0.262 27.600 ( 1.245 0.992 -0.387) 1.638 36.962 ( 6.490 1.336 -0.897) 6.687 37.545 ( -3.027 2.941 5.205) 6.701 38.124 ( 9.188 1.730 -1.288) 9.438 39.309 ( -4.802 7.553 -2.291) 9.239 ======================= Grid point 229 (91/189) ======================= q-point: (-0.33 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 8.868 2.776 2.886) 9.730 3.362 ( 7.987 3.458 0.664) 8.728 3.624 ( -4.980 -8.826 4.218) 10.977 4.392 ( 23.238 6.042 -2.861) 24.181 4.756 ( -13.463 -4.743 -0.724) 14.293 5.295 ( 1.056 -2.100 0.113) 2.353 5.754 ( -11.104 -8.200 -5.662) 14.920 6.032 ( -13.563 13.015 6.961) 20.045 7.124 ( 16.293 -2.746 -5.505) 17.416 7.796 ( -9.613 -1.688 0.192) 9.762 8.014 ( 13.537 0.216 1.779) 13.655 8.787 ( -7.725 1.172 -2.938) 8.347 9.964 ( 7.146 -5.283 6.441) 10.975 11.206 ( -9.385 -3.868 -15.340) 18.395 11.448 ( 1.647 1.867 -8.322) 8.687 11.755 ( -11.501 -0.254 12.381) 16.900 12.046 ( 1.850 -1.953 4.831) 5.530 12.426 ( 0.732 5.313 -2.335) 5.850 18.115 ( 2.485 -0.553 0.569) 2.609 18.463 ( 5.613 2.151 -4.277) 7.377 18.649 ( -2.627 -0.856 4.531) 5.307 19.001 ( -5.577 0.176 0.104) 5.580 20.770 ( 1.049 -1.559 0.261) 1.897 20.906 ( -1.569 0.357 -0.367) 1.650 27.557 ( 1.011 -0.200 0.183) 1.047 27.625 ( 0.812 0.551 -0.192) 1.000 37.101 ( 9.526 -0.927 -1.550) 9.696 37.526 ( -4.515 1.439 4.399) 6.465 38.324 ( 15.909 -3.344 -1.901) 16.368 39.274 ( -9.009 8.515 3.817) 12.971 ======================= Grid point 230 (92/189) ======================= q-point: (-0.25 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 10.944 5.830 -0.364) 12.405 3.413 ( -7.852 2.046 0.227) 8.118 3.561 ( 12.642 -12.569 1.418) 17.883 4.401 ( -20.756 4.480 -2.555) 21.387 4.918 ( 28.293 -3.275 0.613) 28.489 5.314 ( 2.600 0.718 -0.682) 2.783 5.505 ( -7.196 -7.050 0.347) 10.080 5.919 ( -15.385 7.820 4.035) 17.724 7.338 ( 14.011 0.126 -7.404) 15.847 7.615 ( -9.582 -0.677 3.416) 10.195 8.210 ( 10.015 -4.406 0.638) 10.960 8.612 ( -9.721 -2.867 -1.640) 10.267 10.113 ( 8.800 0.495 4.957) 10.112 10.853 ( -16.314 0.071 -15.321) 22.381 11.450 ( 6.346 -6.352 -12.242) 15.181 11.614 ( -12.168 -1.037 14.381) 18.867 12.133 ( 6.645 -1.278 4.239) 7.985 12.469 ( -2.215 6.945 -0.490) 7.306 18.171 ( 4.185 -1.189 0.109) 4.353 18.454 ( -6.472 2.472 -1.807) 7.160 18.709 ( 6.296 0.555 2.700) 6.873 18.919 ( -4.357 1.539 0.093) 4.621 20.780 ( 1.767 -1.208 -0.548) 2.210 20.881 ( -2.237 1.369 -0.058) 2.623 27.575 ( 1.560 -0.868 0.038) 1.786 27.633 ( -0.352 0.128 0.140) 0.400 37.229 ( 8.633 -3.605 -2.407) 9.660 37.472 ( -5.174 0.233 3.531) 6.268 38.579 ( 20.007 -5.404 -2.646) 20.892 39.214 ( -11.717 9.281 7.606) 16.771 ======================= Grid point 231 (93/189) ======================= q-point: (-0.17 -0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.336 ( 11.112 8.067 -4.761) 14.533 3.359 ( 0.848 1.369 5.362) 5.599 3.687 ( 14.631 -9.703 -3.611) 17.923 4.085 ( -21.949 7.562 1.492) 23.263 5.220 ( 12.837 -8.104 -0.312) 15.184 5.374 ( 1.791 -10.466 7.030) 12.735 5.400 ( 1.715 4.284 -5.056) 6.845 5.699 ( -17.347 2.700 -0.156) 17.557 7.504 ( 7.665 1.037 -7.412) 10.712 7.533 ( -3.489 3.497 6.687) 8.314 8.274 ( 5.075 -7.463 -1.559) 9.159 8.403 ( -9.389 -4.263 1.008) 10.361 10.305 ( 8.728 2.332 3.281) 9.611 10.564 ( -10.771 4.985 -9.977) 15.505 11.403 ( 6.342 -10.206 -13.836) 18.325 11.476 ( -12.583 0.199 14.273) 19.029 12.279 ( 9.948 -2.550 2.532) 10.577 12.476 ( -5.217 7.290 -0.022) 8.965 18.213 ( 3.490 -4.035 -0.660) 5.375 18.337 ( -8.010 1.101 0.438) 8.097 18.835 ( 4.854 2.262 1.576) 5.582 18.905 ( -0.451 4.550 -0.571) 4.608 20.801 ( 2.505 -1.231 -1.012) 2.969 20.855 ( -2.751 1.924 0.431) 3.385 27.589 ( 1.377 -1.511 -0.251) 2.059 27.618 ( -1.450 -0.214 0.433) 1.528 37.292 ( 5.151 -5.377 -1.128) 7.530 37.395 ( -5.020 -0.611 1.124) 5.181 38.856 ( 20.027 -5.363 -4.640) 21.245 39.144 ( -12.615 10.059 9.029) 18.489 ======================= Grid point 232 (94/189) ======================= q-point: (-0.08 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.544 ( 6.833 10.188 -11.379) 16.732 3.544 ( 5.407 11.011 11.379) 16.732 3.831 ( 15.821 -10.496 -6.585) 20.095 3.831 ( -17.000 8.454 6.585) 20.095 5.293 ( -7.960 -4.489 -16.670) 19.010 5.293 ( 0.092 -9.138 16.670) 19.010 5.405 ( -12.432 2.027 -8.427) 15.155 5.405 ( 7.971 -9.753 8.427) 15.155 7.570 ( 5.330 -0.737 -14.777) 15.726 7.570 ( -3.304 4.247 14.777) 15.726 8.245 ( 2.116 -6.582 -4.224) 8.102 8.245 ( -6.758 -1.458 4.224) 8.102 10.486 ( 2.279 4.946 -3.444) 6.443 10.486 ( 3.143 4.447 3.444) 6.443 11.338 ( 8.612 -11.348 -17.415) 22.500 11.338 ( -14.134 1.784 17.415) 22.500 12.435 ( 1.840 1.724 -1.772) 3.082 12.435 ( 0.573 2.455 1.772) 3.082 18.214 ( 0.247 -4.232 -1.695) 4.565 18.214 ( -3.789 -1.902 1.695) 4.565 18.953 ( -0.541 5.985 -2.190) 6.396 18.953 ( 5.454 2.524 2.190) 6.396 20.831 ( 3.198 -1.461 -1.114) 3.688 20.831 ( -2.864 2.039 1.114) 3.688 27.588 ( 0.681 -1.719 -0.505) 1.917 27.588 ( -1.829 -0.270 0.505) 1.917 37.299 ( -0.222 -3.635 -7.159) 8.032 37.299 ( -3.037 -2.010 7.159) 8.032 39.081 ( 14.960 -4.814 -13.756) 20.886 39.081 ( -11.649 10.549 13.756) 20.886 ======================= Grid point 241 (95/189) ======================= q-point: (-0.42 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.729 ( -0.000 6.133 11.429) 12.971 3.125 ( -0.000 0.157 2.549) 2.554 3.759 ( -0.000 -3.515 1.524) 3.831 3.945 ( 0.000 1.228 -2.589) 2.866 5.027 ( 0.000 -0.954 -4.667) 4.763 5.273 ( -0.000 -3.064 0.212) 3.071 6.071 ( -0.000 -9.138 -4.680) 10.267 6.386 ( 0.000 11.032 9.245) 14.393 6.642 ( 0.000 -4.427 -9.825) 10.777 7.683 ( 0.000 4.192 3.886) 5.716 7.994 ( -0.000 -3.835 -2.812) 4.755 8.928 ( 0.000 1.137 -3.782) 3.949 9.831 ( -0.000 -5.808 6.919) 9.033 11.186 ( -0.000 -7.731 -7.226) 10.582 11.606 ( 0.000 11.881 -13.036) 17.638 11.972 ( 0.000 3.160 3.606) 4.795 12.063 ( -0.000 -11.580 9.379) 14.902 12.382 ( 0.000 6.879 -2.259) 7.240 18.126 ( 0.000 2.558 -0.340) 2.581 18.242 ( -0.000 -2.406 -0.690) 2.503 18.746 ( -0.000 1.301 2.205) 2.560 19.114 ( -0.000 -0.520 0.200) 0.557 20.753 ( -0.000 -1.899 0.414) 1.943 20.933 ( 0.000 0.252 -0.453) 0.519 27.549 ( -0.000 0.048 0.071) 0.086 27.592 ( 0.000 0.401 -0.160) 0.432 36.908 ( 0.000 0.215 -0.817) 0.844 37.624 ( -0.000 -1.011 9.309) 9.364 38.020 ( 0.000 -2.032 -5.929) 6.268 39.439 ( 0.000 8.843 4.159) 9.772 ======================= Grid point 242 (96/189) ======================= q-point: (-0.33 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.880 ( -0.158 9.211 10.048) 13.632 3.204 ( 8.242 -5.468 4.304) 10.787 3.680 ( -5.006 -4.104 0.549) 6.496 4.072 ( 15.151 1.693 -0.088) 15.245 4.934 ( -8.405 2.758 -5.911) 10.639 5.249 ( 0.989 -2.421 -1.924) 3.247 5.833 ( -10.332 -11.578 -1.409) 15.581 6.363 ( -10.002 4.698 2.356) 11.299 6.772 ( 16.751 -1.082 -6.945) 18.166 7.825 ( 5.472 1.387 4.225) 7.051 7.886 ( -1.204 -5.252 -2.600) 5.982 8.859 ( -4.042 -3.324 -4.028) 6.604 9.880 ( 4.007 1.672 5.435) 6.956 11.065 ( 2.101 -10.864 -11.492) 15.953 11.554 ( -7.968 6.531 -12.999) 16.586 11.941 ( -6.397 -5.922 10.079) 13.326 12.025 ( 0.820 -1.705 2.508) 3.142 12.483 ( 0.819 10.810 1.054) 10.892 18.118 ( -1.954 2.097 0.225) 2.875 18.328 ( 8.739 2.376 -1.999) 9.274 18.738 ( -3.611 0.158 4.067) 5.441 19.081 ( -3.325 -0.084 -0.138) 3.328 20.741 ( 0.560 -1.386 -0.566) 1.598 20.933 ( -0.753 1.421 -0.387) 1.654 27.547 ( -0.059 -0.295 0.117) 0.323 27.607 ( 1.342 -0.080 0.042) 1.345 36.949 ( 5.568 -1.588 -0.901) 5.859 37.620 ( -3.283 -2.942 8.087) 9.210 38.034 ( 9.888 -6.226 -4.922) 12.679 39.521 ( -5.160 9.191 8.822) 13.745 ======================= Grid point 243 (97/189) ======================= q-point: (-0.25 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.012 ( 4.047 6.479 -0.387) 7.649 3.238 ( 6.347 -18.136 -0.134) 19.215 3.570 ( -5.503 2.293 3.816) 7.078 4.463 ( 23.664 -0.361 5.096) 24.209 4.749 ( -14.501 8.473 -4.860) 17.485 5.241 ( 2.590 -2.732 -3.178) 4.927 5.578 ( -7.248 -7.435 3.134) 10.846 6.204 ( -10.887 -1.299 -1.018) 11.011 7.031 ( 16.938 1.638 -7.585) 18.631 7.718 ( -4.483 -5.505 1.286) 7.215 8.027 ( 8.248 -0.596 2.586) 8.664 8.693 ( -6.637 -7.079 -2.967) 10.147 10.041 ( 6.175 6.764 3.287) 9.731 10.899 ( -2.173 -9.100 -13.369) 16.317 11.382 ( -8.248 3.943 -13.626) 16.409 11.812 ( -7.105 -7.000 11.809) 15.457 12.043 ( 3.045 -3.529 1.612) 4.932 12.597 ( -2.179 11.457 2.288) 11.884 18.128 ( 0.794 1.623 -0.288) 1.829 18.496 ( 5.216 5.268 -3.659) 8.268 18.694 ( -2.501 -0.399 6.623) 7.091 19.010 ( -4.641 0.835 -0.221) 4.721 20.738 ( 1.161 -1.098 -1.426) 2.142 20.930 ( -1.490 2.183 -0.231) 2.653 27.547 ( 0.666 -0.862 0.061) 1.091 27.627 ( 0.953 -0.436 0.337) 1.101 37.036 ( 7.815 -3.800 -1.592) 8.834 37.556 ( -3.996 -3.862 4.999) 7.475 38.179 ( 17.105 -7.959 -2.242) 18.999 39.539 ( -9.398 8.849 11.519) 17.301 ======================= Grid point 244 (98/189) ======================= q-point: (-0.17 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 8.481 -12.838 -3.791) 15.847 3.169 ( 11.522 -4.691 -8.154) 14.875 3.599 ( -0.237 6.116 6.652) 9.040 4.500 ( -15.525 5.504 1.153) 16.512 4.879 ( 15.405 -1.436 2.892) 15.739 5.235 ( 2.791 -7.140 -0.034) 7.666 5.491 ( -2.505 2.329 2.564) 4.275 5.962 ( -12.197 -4.539 -2.899) 13.333 7.271 ( 13.001 2.544 -10.553) 16.937 7.648 ( -1.740 -1.089 6.419) 6.739 8.121 ( 4.507 -4.318 0.479) 6.260 8.488 ( -6.680 -7.842 0.324) 10.306 10.220 ( 6.112 4.753 -0.448) 7.756 10.708 ( -6.194 1.109 -9.361) 11.280 11.210 ( -4.507 -2.121 -14.202) 15.050 11.709 ( -5.562 -5.143 12.733) 14.816 12.094 ( 7.652 -5.194 1.222) 9.328 12.650 ( -5.414 10.004 1.998) 11.549 18.151 ( 0.580 -0.255 -0.710) 0.952 18.482 ( -6.521 1.287 -0.010) 6.647 18.791 ( 5.142 4.074 3.211) 7.304 18.961 ( -2.146 3.039 -0.388) 3.740 20.743 ( 1.820 -1.162 -1.948) 2.908 20.921 ( -2.176 2.482 0.030) 3.301 27.551 ( 1.089 -1.316 -0.083) 1.710 27.631 ( -0.207 -0.822 0.624) 1.052 37.112 ( 7.439 -5.350 -2.258) 9.437 37.467 ( -4.082 -4.648 3.650) 7.182 38.418 ( 20.469 -7.333 -3.670) 22.051 39.510 ( -11.535 8.889 13.230) 19.674 ======================= Grid point 254 (99/189) ======================= q-point: (-0.33 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( -0.000 -11.658 0.425) 11.666 3.099 ( -0.000 9.146 13.882) 16.624 3.702 ( -0.000 -1.011 3.321) 3.471 3.945 ( 0.000 1.345 1.130) 1.757 5.024 ( 0.000 8.252 -7.563) 11.194 5.196 ( -0.000 -3.158 -3.993) 5.091 5.789 ( -0.000 -18.373 2.481) 18.540 6.387 ( 0.000 -5.764 -15.567) 16.599 6.632 ( 0.000 4.872 3.521) 6.011 7.799 ( -0.000 -9.937 -2.670) 10.290 7.844 ( 0.000 5.575 6.413) 8.498 8.814 ( -0.000 -7.903 -4.801) 9.247 9.925 ( 0.000 8.979 4.246) 9.933 10.873 ( -0.000 -11.206 -11.378) 15.970 11.575 ( 0.000 -4.356 -8.570) 9.614 11.982 ( -0.000 -5.956 1.565) 6.158 12.024 ( 0.000 2.333 2.436) 3.373 12.624 ( 0.000 15.259 3.773) 15.718 18.193 ( 0.000 0.005 -3.285) 3.285 18.248 ( 0.000 8.423 1.728) 8.598 18.797 ( -0.000 -0.295 5.648) 5.655 19.106 ( 0.000 0.099 -0.829) 0.835 20.718 ( 0.000 -0.965 -1.604) 1.872 20.956 ( 0.000 2.297 -0.463) 2.343 27.549 ( -0.000 -0.125 0.116) 0.170 27.588 ( -0.000 -0.872 0.252) 0.908 36.877 ( -0.000 -2.819 -0.071) 2.820 37.661 ( -0.000 -7.012 12.091) 13.977 37.829 ( -0.000 -8.489 -8.253) 11.840 39.715 ( -0.000 8.875 12.429) 15.272 ======================= Grid point 255 (100/189) ======================= q-point: (-0.25 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.915 ( 3.247 -16.853 -3.389) 17.495 3.106 ( -5.083 -6.106 -0.259) 7.949 3.719 ( -5.059 5.625 8.674) 11.509 4.159 ( 17.096 3.103 7.673) 18.994 5.021 ( -8.168 13.058 -5.384) 16.316 5.145 ( 1.722 -5.527 -4.217) 7.162 5.582 ( -2.100 -15.612 3.561) 16.150 6.220 ( -3.529 -7.854 -14.049) 16.478 6.773 ( 11.669 2.575 -2.647) 12.240 7.695 ( -0.711 -7.896 2.073) 8.195 7.966 ( 3.386 4.084 5.192) 7.423 8.662 ( -2.897 -11.689 -4.384) 12.815 10.081 ( 1.951 12.887 2.326) 13.240 10.726 ( 2.196 -9.386 -10.279) 14.092 11.439 ( -2.697 -5.959 -7.958) 10.302 11.929 ( 1.250 -8.232 2.514) 8.697 11.975 ( -9.168 1.736 -0.709) 9.358 12.793 ( -1.942 16.006 4.123) 16.642 18.160 ( -1.443 3.154 -2.039) 4.023 18.424 ( 7.007 7.957 -0.614) 10.621 18.792 ( -3.761 -0.715 7.740) 8.635 19.080 ( -2.660 0.845 -1.151) 3.019 20.704 ( 0.536 -0.623 -2.651) 2.775 20.972 ( -0.744 2.763 -0.509) 2.906 27.539 ( -0.538 -0.542 0.126) 0.774 27.598 ( 1.656 -1.066 0.464) 2.023 36.883 ( 4.415 -4.405 -0.084) 6.237 37.586 ( -3.396 -8.157 4.944) 10.125 37.824 ( 11.984 -10.602 -0.814) 16.021 39.824 ( -5.515 7.932 14.692) 17.583 ======================= Grid point 256 (101/189) ======================= q-point: (-0.17 -0.33 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( 5.484 -24.836 -7.245) 26.446 2.977 ( 3.755 -8.015 -6.591) 11.036 3.739 ( -4.380 6.864 7.888) 11.337 4.486 ( 12.723 -4.084 6.694) 14.945 4.983 ( -10.175 14.505 2.442) 17.886 5.111 ( 3.875 -8.618 1.061) 9.509 5.507 ( 2.689 -3.709 -0.822) 4.654 5.972 ( -5.288 -9.249 -13.564) 17.247 7.022 ( 14.546 3.879 -6.251) 16.300 7.647 ( 0.582 -5.495 4.784) 7.309 8.061 ( 1.620 0.898 3.188) 3.687 8.469 ( -2.719 -12.075 -1.275) 12.443 10.190 ( 0.413 3.580 -4.018) 5.397 10.701 ( 3.171 3.218 -2.766) 5.297 11.304 ( -6.065 1.805 -11.470) 13.100 11.762 ( -9.485 -6.800 3.920) 12.312 11.916 ( 6.111 -9.594 0.975) 11.417 12.894 ( -6.465 14.383 3.709) 16.199 18.174 ( -1.135 3.812 -1.097) 4.126 18.554 ( 0.200 2.549 -1.797) 3.125 18.802 ( 0.700 3.840 7.502) 8.456 19.034 ( -3.290 2.421 -0.831) 4.169 20.695 ( 1.064 -0.655 -3.361) 3.586 20.978 ( -1.481 2.795 -0.439) 3.193 27.529 ( 0.186 -0.838 0.090) 0.863 27.615 ( 1.091 -1.347 0.681) 1.862 36.926 ( 6.465 -5.635 -0.983) 8.632 37.475 ( -2.319 -8.612 3.068) 9.431 37.983 ( 18.226 -10.126 -0.680) 20.861 39.851 ( -9.340 7.377 16.167) 20.076 ======================= Grid point 267 (102/189) ======================= q-point: (-0.25 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( -0.000 -22.717 -4.972) 23.255 3.028 ( -0.000 -17.492 -6.920) 18.811 3.966 ( 0.000 12.560 12.705) 17.866 4.039 ( -0.000 1.821 7.755) 7.966 5.005 ( -0.000 -16.154 -3.280) 16.484 5.236 ( 0.000 20.036 -3.588) 20.354 5.390 ( -0.000 -19.369 -1.309) 19.413 6.134 ( 0.000 -1.862 -15.331) 15.443 6.643 ( 0.000 -2.036 -3.049) 3.666 7.646 ( -0.000 -6.974 6.012) 9.207 8.024 ( 0.000 5.638 5.967) 8.209 8.520 ( -0.000 -15.870 -5.216) 16.705 10.249 ( 0.000 18.559 2.985) 18.798 10.546 ( -0.000 -9.877 -9.276) 13.549 11.321 ( -0.000 -11.894 -4.209) 12.616 11.785 ( -0.000 -14.026 -0.206) 14.028 12.149 ( 0.000 9.835 -4.611) 10.863 13.002 ( 0.000 17.531 4.115) 18.007 18.183 ( 0.000 3.283 -4.297) 5.407 18.457 ( 0.000 9.300 1.473) 9.415 18.872 ( -0.000 0.150 10.093) 10.094 19.103 ( 0.000 1.238 -2.102) 2.440 20.678 ( 0.000 -0.075 -4.084) 4.085 21.004 ( 0.000 2.972 -0.766) 3.069 27.550 ( 0.000 0.216 0.132) 0.253 27.564 ( -0.000 -2.022 0.608) 2.111 36.801 ( -0.000 -5.151 1.150) 5.278 37.538 ( -0.000 -11.691 -7.630) 13.960 37.604 ( -0.000 -12.036 12.346) 17.242 40.032 ( -0.000 6.687 17.094) 18.355 ======================= Grid point 268 (103/189) ======================= q-point: (-0.17 -0.25 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 0.724 -26.953 -8.540) 28.283 2.759 ( 0.404 -22.285 -7.996) 23.679 3.977 ( -8.289 8.606 7.047) 13.872 4.261 ( 11.492 -6.967 7.438) 15.360 4.865 ( 9.623 -22.585 2.653) 24.693 5.220 ( -2.171 -2.760 -4.572) 5.764 5.431 ( -1.286 17.172 -2.455) 17.395 5.960 ( -7.705 -0.686 -12.824) 14.976 6.764 ( 15.039 1.208 -3.277) 15.439 7.608 ( -0.824 -7.518 6.155) 9.751 8.103 ( -0.523 3.143 5.139) 6.047 8.330 ( 0.832 -15.820 -3.595) 16.245 10.245 ( -8.012 -0.789 -5.313) 9.646 10.655 ( 11.394 11.405 2.253) 16.278 11.212 ( 2.676 -8.712 -3.810) 9.878 11.679 ( 5.301 -15.069 -1.334) 16.030 12.051 ( -17.627 6.912 -5.445) 19.701 13.162 ( -3.983 16.524 3.387) 17.331 18.217 ( 1.182 5.631 -2.964) 6.472 18.552 ( 1.121 3.603 -0.342) 3.789 18.912 ( -2.873 3.567 10.322) 11.292 19.097 ( -1.346 2.591 -1.462) 3.265 20.657 ( 0.416 0.087 -5.261) 5.278 21.022 ( -0.745 2.810 -0.849) 3.028 27.528 ( -0.786 -0.903 0.315) 1.238 27.580 ( 1.680 -1.090 0.530) 2.072 36.783 ( 3.212 -5.826 0.919) 6.716 37.397 ( 0.907 -11.346 -2.406) 11.634 37.622 ( 10.254 -13.360 6.286) 17.976 40.140 ( -5.489 5.769 18.745) 20.366 ======================= Grid point 280 (104/189) ======================= q-point: (-0.17 -0.17 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -0.000 -28.861 -7.908) 29.925 2.431 ( -0.000 -29.922 -13.064) 32.650 3.926 ( -0.000 -35.295 3.798) 35.499 4.251 ( 0.000 8.398 0.711) 8.428 4.552 ( -0.000 -13.353 7.757) 15.442 5.146 ( 0.000 -0.844 -11.277) 11.308 5.706 ( 0.000 25.182 2.666) 25.323 6.008 ( 0.000 3.309 -10.039) 10.571 6.586 ( -0.000 -1.206 1.158) 1.672 7.585 ( -0.000 -8.328 7.172) 10.990 8.063 ( -0.000 -20.560 -1.040) 20.586 8.219 ( 0.000 4.286 1.138) 4.434 10.301 ( -0.000 -6.726 -4.973) 8.365 10.613 ( 0.000 8.704 2.709) 9.116 11.147 ( 0.000 2.396 1.651) 2.909 11.445 ( -0.000 -18.514 -1.941) 18.616 12.276 ( 0.000 10.358 -10.074) 14.449 13.378 ( 0.000 16.327 2.463) 16.512 18.231 ( 0.000 5.907 -3.900) 7.079 18.584 ( 0.000 1.555 1.290) 2.020 19.057 ( -0.000 6.043 12.347) 13.746 19.113 ( 0.000 2.493 -2.867) 3.799 20.623 ( 0.000 0.586 -7.205) 7.229 21.050 ( 0.000 2.549 -1.015) 2.744 27.523 ( -0.000 -2.754 0.658) 2.832 27.564 ( 0.000 0.996 0.145) 1.007 36.711 ( -0.000 -5.547 2.476) 6.074 37.220 ( -0.000 -12.336 -6.296) 13.849 37.452 ( -0.000 -15.498 10.147) 18.524 40.346 ( -0.000 4.589 20.763) 21.264 ======================= Grid point 321 (105/189) ======================= q-point: ( 0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -0.000 0.000 34.544) 34.544 1.132 ( -0.000 0.000 34.544) 34.544 1.853 ( -0.000 0.000 55.586) 55.586 4.416 ( 0.000 -0.000 -5.842) 5.842 4.416 ( 0.000 -0.000 -5.842) 5.842 6.121 ( -0.000 -0.000 -0.505) 0.505 6.121 ( 0.000 -0.000 -0.505) 0.505 6.537 ( 0.000 -0.000 -11.998) 11.998 6.922 ( -0.000 0.000 1.619) 1.619 6.922 ( 0.000 0.000 1.619) 1.619 7.458 ( -0.000 0.000 4.242) 4.242 8.384 ( 0.000 -0.000 -4.814) 4.814 10.297 ( -0.000 -0.000 -1.414) 1.414 10.297 ( 0.000 0.000 -1.414) 1.414 10.506 ( 0.000 0.000 2.455) 2.455 10.506 ( 0.000 0.000 2.455) 2.455 13.196 ( -0.000 0.000 2.138) 2.138 13.886 ( 0.000 -0.000 -3.969) 3.969 18.517 ( -0.000 0.000 3.048) 3.048 18.517 ( -0.000 0.000 3.048) 3.048 19.155 ( 0.000 -0.000 -2.865) 2.865 19.155 ( 0.000 -0.000 -2.865) 2.865 21.197 ( -0.000 0.000 4.845) 4.845 22.142 ( 0.000 -0.000 -3.934) 3.934 27.424 ( -0.000 0.000 0.796) 0.796 27.617 ( 0.000 -0.000 -0.937) 0.937 36.699 ( 0.000 0.000 0.079) 0.079 36.699 ( 0.000 0.000 0.079) 0.079 36.750 ( 0.000 -0.000 -0.204) 0.204 36.750 ( 0.000 -0.000 -0.204) 0.204 ======================= Grid point 322 (106/189) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 7.812 4.510 27.641) 29.076 1.420 ( 1.829 1.056 33.926) 33.992 2.709 ( 39.194 22.629 42.374) 61.998 4.180 ( -9.340 -5.393 -11.352) 15.658 4.536 ( 6.209 3.585 -5.116) 8.808 5.897 ( -11.864 -6.850 -1.358) 13.767 5.993 ( -14.206 -8.202 13.528) 21.262 6.473 ( -0.375 -0.217 -8.744) 8.754 6.921 ( 3.236 1.868 0.246) 3.745 7.108 ( 10.450 6.033 -2.853) 12.399 7.437 ( 2.744 1.584 9.213) 9.743 8.328 ( -2.197 -1.268 -5.426) 5.990 10.300 ( 3.720 2.148 -3.082) 5.287 10.346 ( -5.346 -3.087 2.856) 6.802 10.520 ( 13.019 7.516 -2.506) 15.240 11.020 ( 26.874 15.516 -8.424) 32.155 12.949 ( -21.952 -12.674 8.203) 26.643 13.785 ( -6.797 -3.924 -4.956) 9.282 18.447 ( -5.426 -3.133 2.404) 6.710 18.605 ( 4.272 2.467 4.041) 6.377 19.057 ( -4.176 -2.411 -4.452) 6.563 19.188 ( 1.268 0.732 -4.204) 4.452 21.205 ( -1.643 -0.949 4.967) 5.317 21.653 ( -28.760 -16.604 12.470) 35.473 27.425 ( 0.346 0.200 0.603) 0.723 27.600 ( -0.966 -0.558 -1.028) 1.517 36.657 ( 0.991 0.572 -2.353) 2.616 36.755 ( 3.146 1.817 3.467) 5.022 37.006 ( 16.000 9.238 0.953) 18.500 37.728 ( 62.932 36.334 -43.919) 84.908 ======================= Grid point 323 (107/189) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 20.188 11.655 17.013) 28.859 1.722 ( 11.598 6.696 22.097) 25.838 3.760 ( 31.909 18.423 29.450) 47.169 3.920 ( -6.233 -3.598 -14.237) 15.953 4.636 ( 5.197 3.001 -4.938) 7.772 5.583 ( -14.670 -8.470 -1.405) 16.997 5.828 ( -7.246 -4.183 21.299) 22.884 6.412 ( -2.505 -1.446 -3.167) 4.289 7.037 ( 6.454 3.726 0.962) 7.514 7.305 ( 8.795 5.078 -10.395) 14.533 7.657 ( 10.357 5.980 6.953) 13.833 8.242 ( -2.396 -1.383 -5.131) 5.829 10.293 ( -0.922 -0.532 3.851) 3.995 10.395 ( 5.695 3.288 -1.167) 6.678 10.849 ( 16.328 9.427 -2.981) 19.089 11.482 ( 17.987 10.385 -9.072) 22.665 12.391 ( -29.892 -17.258 14.025) 37.257 13.529 ( -12.545 -7.243 -6.559) 15.902 18.310 ( -7.197 -4.155 1.920) 8.529 18.723 ( 2.908 1.679 3.937) 5.175 18.930 ( -4.245 -2.451 -5.121) 7.089 19.166 ( -0.270 -0.156 -5.367) 5.376 21.173 ( -3.214 -1.855 3.893) 5.378 21.204 ( -16.837 -9.721 13.001) 23.388 27.452 ( 1.724 0.995 -0.077) 1.992 27.568 ( -1.220 -0.705 -0.980) 1.717 36.704 ( 4.368 2.522 -4.057) 6.473 36.897 ( 6.533 3.772 6.442) 9.920 37.449 ( 21.336 12.318 2.817) 24.797 38.583 ( 34.493 19.914 -50.303) 64.161 ======================= Grid point 324 (108/189) ======================= q-point: ( 0.42 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( 19.859 11.466 9.095) 24.669 2.299 ( 23.945 13.825 9.523) 29.243 3.781 ( 1.008 0.582 -13.678) 13.727 4.348 ( 8.366 4.830 13.865) 16.899 4.744 ( 5.803 3.351 -2.493) 7.150 5.236 ( -14.714 -8.495 0.976) 17.018 5.890 ( 0.774 0.447 24.212) 24.228 6.312 ( -6.026 -3.479 1.563) 7.132 7.223 ( 8.749 5.051 2.848) 10.496 7.371 ( 3.543 2.046 -17.693) 18.160 7.922 ( 9.500 5.485 4.406) 11.821 8.176 ( -1.223 -0.706 -4.098) 4.334 10.338 ( 2.486 1.435 5.310) 6.036 10.556 ( 8.066 4.657 3.600) 9.985 11.179 ( 12.727 7.348 -5.153) 15.573 11.737 ( -3.660 -2.113 -0.862) 4.313 11.859 ( -10.226 -5.904 11.196) 16.272 13.168 ( -14.692 -8.482 -7.452) 18.529 18.157 ( -6.564 -3.790 1.438) 7.715 18.721 ( -4.890 -2.823 2.226) 6.070 18.828 ( -1.982 -1.144 -4.782) 5.301 19.159 ( 2.130 1.230 -3.895) 4.607 20.979 ( -8.696 -5.021 8.660) 13.260 21.103 ( -4.238 -2.447 2.095) 5.323 27.495 ( 2.028 1.171 -0.463) 2.387 27.541 ( -0.635 -0.366 -0.722) 1.029 36.800 ( 5.945 3.432 -5.256) 8.646 37.104 ( 7.520 4.342 8.829) 12.383 37.987 ( 23.391 13.505 4.795) 27.432 38.869 ( 14.348 8.284 -41.468) 44.655 ======================= Grid point 325 (109/189) ======================= q-point: ( 0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( 24.850 14.347 -1.482) 28.732 2.875 ( 22.735 13.126 3.176) 26.444 3.796 ( 4.646 2.682 -11.439) 12.634 4.416 ( -3.610 -2.084 2.769) 5.004 4.791 ( -2.271 -1.311 0.653) 2.702 4.975 ( -8.014 -4.627 5.586) 10.809 6.005 ( -3.431 -1.981 19.871) 20.262 6.155 ( -9.273 -5.354 6.129) 12.337 7.288 ( -1.042 -0.601 -21.788) 21.821 7.455 ( 9.453 5.458 4.099) 11.660 8.133 ( -0.942 -0.544 -3.742) 3.897 8.142 ( 7.798 4.502 5.804) 10.713 10.457 ( 4.841 2.795 7.095) 9.032 10.798 ( 8.870 5.121 8.067) 13.037 11.290 ( -0.564 -0.326 -11.551) 11.569 11.396 ( -14.632 -8.448 16.293) 23.472 12.028 ( 9.800 5.658 -3.310) 11.791 12.830 ( -10.754 -6.209 -5.502) 13.582 18.045 ( -3.388 -1.956 0.948) 4.025 18.558 ( -9.072 -5.238 0.677) 10.497 18.799 ( 1.577 0.911 -4.018) 4.412 19.189 ( 1.034 0.597 -1.755) 2.123 20.878 ( -3.684 -2.127 5.152) 6.682 21.007 ( -4.613 -2.663 0.340) 5.337 27.533 ( 1.435 0.828 -0.545) 1.744 27.534 ( 0.323 0.187 -0.271) 0.461 36.904 ( 5.505 3.179 -5.832) 8.627 37.316 ( 6.090 3.516 10.389) 12.545 38.547 ( 22.526 13.005 6.161) 26.730 38.862 ( 3.682 2.126 -33.242) 33.513 ======================= Grid point 326 (110/189) ======================= q-point: ( 0.58 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.276 ( 27.178 15.691 -10.422) 33.068 3.340 ( 16.883 9.747 -4.735) 20.061 3.780 ( -2.132 -1.231 -6.039) 6.522 4.246 ( -11.450 -6.611 -3.233) 13.611 4.671 ( -7.744 -4.471 2.677) 9.335 4.989 ( 5.559 3.209 7.002) 9.499 5.946 ( -8.959 -5.172 17.562) 20.382 5.976 ( -9.873 -5.700 12.462) 16.890 7.108 ( -3.717 -2.146 -22.953) 23.351 7.677 ( 8.054 4.650 2.686) 9.680 8.081 ( -1.991 -1.150 -3.927) 4.551 8.350 ( 6.346 3.664 10.112) 12.487 10.622 ( 5.196 3.000 7.421) 9.543 10.873 ( -6.835 -3.946 7.816) 11.108 11.043 ( -11.739 -6.778 -16.251) 21.162 11.433 ( 9.053 5.227 18.004) 20.818 12.223 ( 9.023 5.209 -3.961) 11.146 12.613 ( -7.271 -4.198 -3.422) 9.067 18.025 ( 1.481 0.855 0.448) 1.768 18.349 ( -8.890 -5.133 0.718) 10.291 18.849 ( 4.316 2.492 -3.717) 6.217 19.172 ( -1.904 -1.100 -0.452) 2.245 20.856 ( -0.292 -0.169 2.814) 2.834 20.900 ( -4.525 -2.612 -0.824) 5.289 27.550 ( 1.001 0.578 0.203) 1.173 27.553 ( 0.531 0.307 -0.401) 0.733 36.978 ( 3.429 1.980 -5.785) 7.010 37.479 ( 2.833 1.636 11.004) 11.480 38.709 ( -2.469 -1.425 -26.938) 27.089 39.070 ( 20.065 11.584 6.428) 24.044 ======================= Grid point 327 (111/189) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.397 ( -8.933 -5.157 -8.893) 13.619 3.798 ( 20.123 11.618 -24.452) 33.732 3.844 ( 10.564 6.099 -0.903) 12.231 3.877 ( -13.292 -7.674 -2.157) 15.499 4.535 ( -5.292 -3.056 10.843) 12.446 5.155 ( 3.649 2.107 0.266) 4.222 5.855 ( -6.555 -3.785 17.726) 19.274 5.880 ( -6.220 -3.591 19.338) 20.628 6.897 ( -3.599 -2.078 -20.713) 21.126 7.851 ( 6.482 3.742 0.486) 7.501 7.997 ( -3.259 -1.882 -4.706) 6.026 8.512 ( 1.962 1.133 12.028) 12.240 10.521 ( -11.766 -6.793 -17.331) 22.021 10.716 ( -9.127 -5.269 7.837) 13.133 10.930 ( 5.526 3.191 10.130) 11.973 11.772 ( 9.451 5.456 13.784) 17.581 12.413 ( -8.753 -5.053 -4.254) 10.965 12.414 ( 10.233 5.908 -3.503) 12.325 18.115 ( 6.081 3.511 -0.217) 7.026 18.179 ( -6.138 -3.544 1.518) 7.248 18.937 ( 4.860 2.806 -4.398) 7.130 19.111 ( -3.098 -1.788 0.796) 3.664 20.795 ( -4.166 -2.405 -1.201) 4.958 20.885 ( 1.611 0.930 1.377) 2.314 27.555 ( -0.099 -0.057 -0.157) 0.195 27.576 ( 0.883 0.510 0.447) 1.114 36.993 ( 0.458 0.264 -5.236) 5.263 37.555 ( -1.369 -0.791 10.714) 10.830 38.470 ( -6.770 -3.909 -21.957) 23.307 39.530 ( 17.308 9.993 5.320) 20.682 ======================= Grid point 328 (112/189) ======================= q-point: (-0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( -17.868 -10.316 -1.883) 20.718 3.397 ( -19.490 -11.252 -3.514) 22.778 4.070 ( 9.509 5.490 -6.003) 12.514 4.082 ( 7.281 4.204 -17.982) 19.850 4.695 ( 14.795 8.542 11.558) 20.626 5.134 ( -3.520 -2.032 -1.556) 4.352 5.760 ( -15.491 -8.944 12.550) 21.851 5.845 ( -2.294 -1.324 15.400) 15.626 6.755 ( -1.147 -0.662 -12.532) 12.601 7.889 ( -3.382 -1.952 -6.359) 7.462 7.985 ( 5.630 3.250 -1.347) 6.639 8.548 ( -4.593 -2.652 11.018) 12.228 10.247 ( -1.535 -0.886 -14.832) 14.938 10.558 ( -8.171 -4.717 7.229) 11.886 11.132 ( 4.187 2.417 14.412) 15.201 11.913 ( -2.373 -1.370 6.333) 6.900 12.189 ( -7.451 -4.302 -4.819) 9.862 12.690 ( 14.747 8.514 -0.743) 17.044 18.097 ( -1.865 -1.077 2.503) 3.302 18.286 ( 8.707 5.027 -0.912) 10.096 19.008 ( 3.537 2.042 -6.193) 7.418 19.059 ( -1.787 -1.032 2.160) 2.987 20.700 ( -3.570 -2.061 -0.657) 4.174 20.937 ( 2.305 1.331 0.608) 2.730 27.551 ( -0.175 -0.101 0.030) 0.205 27.588 ( -0.107 -0.062 0.294) 0.319 36.943 ( -2.511 -1.450 -4.379) 5.252 37.530 ( -5.600 -3.233 9.696) 11.655 38.167 ( -10.204 -5.891 -17.706) 21.268 39.918 ( 14.758 8.520 2.197) 17.182 ======================= Grid point 329 (113/189) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.586 ( -22.258 -12.851 3.880) 25.992 2.931 ( -22.013 -12.709 4.997) 25.905 4.126 ( 4.797 2.770 -6.520) 8.555 4.186 ( 3.385 1.954 -9.820) 10.569 5.001 ( -10.475 -6.048 -2.633) 12.378 5.188 ( 22.620 13.060 2.731) 26.262 5.308 ( -23.194 -13.391 8.902) 28.222 5.905 ( 0.969 0.560 11.731) 11.784 6.662 ( -2.814 -1.625 -6.601) 7.358 7.764 ( -4.691 -2.709 -7.767) 9.469 8.099 ( 5.375 3.103 -3.010) 6.898 8.410 ( -12.134 -7.006 8.191) 16.230 10.336 ( 13.330 7.696 -7.539) 17.139 10.420 ( -7.142 -4.123 6.301) 10.378 11.204 ( -4.161 -2.402 9.450) 10.601 11.762 ( -11.851 -6.842 2.621) 13.933 12.103 ( 2.081 1.202 1.317) 2.740 13.043 ( 15.727 9.080 -0.940) 18.184 18.121 ( 2.432 1.404 3.339) 4.363 18.477 ( 7.748 4.473 -1.169) 9.022 19.033 ( 2.592 1.496 -9.148) 9.625 19.061 ( 0.649 0.375 3.088) 3.178 20.631 ( -2.452 -1.416 1.484) 3.197 20.993 ( 2.365 1.366 0.464) 2.770 27.551 ( 0.244 0.141 0.042) 0.285 27.570 ( -1.461 -0.843 -0.174) 1.696 36.838 ( -4.550 -2.627 -3.407) 6.262 37.409 ( -8.977 -5.183 8.163) 13.194 37.819 ( -12.654 -7.306 -13.820) 20.113 40.217 ( 11.523 6.653 -4.882) 14.173 ======================= Grid point 334 (114/189) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -0.000 6.426 26.672) 27.435 1.905 ( 0.000 24.234 30.864) 39.242 2.810 ( -0.000 30.518 45.935) 55.148 4.171 ( 0.000 -6.342 -13.769) 15.159 4.427 ( 0.000 0.068 -8.169) 8.170 5.864 ( -0.000 -16.097 7.690) 17.840 6.106 ( -0.000 -7.572 -5.326) 9.257 6.444 ( 0.000 0.981 -2.063) 2.284 7.031 ( 0.000 4.960 2.626) 5.612 7.036 ( 0.000 16.682 -2.954) 16.942 7.317 ( -0.000 -15.178 8.360) 17.328 8.291 ( 0.000 -3.345 -6.203) 7.047 10.236 ( -0.000 1.424 3.542) 3.817 10.415 ( 0.000 4.694 -0.600) 4.732 10.738 ( 0.000 23.067 -9.622) 24.993 10.780 ( 0.000 14.584 -0.092) 14.584 13.062 ( -0.000 -13.529 5.252) 14.513 13.759 ( -0.000 -7.769 -5.511) 9.525 18.516 ( -0.000 -1.072 2.563) 2.778 18.560 ( -0.000 -2.037 4.996) 5.396 19.028 ( -0.000 -5.780 -6.309) 8.556 19.170 ( 0.000 1.502 -2.305) 2.751 21.233 ( -0.000 -2.238 5.509) 5.947 21.697 ( -0.000 -30.581 8.261) 31.677 27.429 ( -0.000 0.145 0.818) 0.831 27.595 ( -0.000 -0.987 -1.143) 1.510 36.584 ( -0.000 -2.331 0.075) 2.332 36.806 ( 0.000 6.183 -3.327) 7.022 36.849 ( 0.000 10.194 1.968) 10.382 37.699 ( 0.000 70.495 -30.448) 76.789 ======================= Grid point 335 (115/189) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 9.911 15.736 18.771) 26.423 2.120 ( -14.300 25.036 28.618) 40.624 3.642 ( 26.230 26.414 34.787) 50.949 3.926 ( -8.794 -4.467 -16.037) 18.828 4.466 ( 9.867 -3.387 -9.963) 14.425 5.689 ( -8.478 -11.769 4.908) 15.313 5.958 ( -2.667 -9.457 4.816) 10.943 6.384 ( -4.135 -2.357 2.549) 5.399 7.107 ( -1.005 11.139 -3.777) 11.805 7.220 ( 4.674 10.881 -1.784) 11.976 7.421 ( 16.872 -5.021 5.099) 18.327 8.211 ( -0.598 -3.729 -6.333) 7.373 10.264 ( -1.118 2.416 5.994) 6.559 10.566 ( 1.530 12.084 -0.242) 12.183 10.723 ( 1.637 14.105 -4.023) 14.759 11.212 ( 19.017 11.363 -7.011) 23.236 12.755 ( -21.214 -15.109 8.863) 27.511 13.572 ( -6.826 -10.980 -6.876) 14.643 18.426 ( -7.340 -1.540 2.270) 7.836 18.649 ( 6.128 -2.713 4.642) 8.153 18.915 ( -0.981 -6.015 -6.455) 8.878 19.154 ( -1.669 0.165 -3.111) 3.535 21.216 ( -1.940 -3.414 4.705) 6.128 21.364 ( -10.489 -20.661 10.364) 25.383 27.443 ( 0.698 1.133 0.406) 1.391 27.572 ( -0.710 -0.937 -1.129) 1.630 36.633 ( 4.413 1.254 0.315) 4.598 36.889 ( 3.845 7.116 -0.914) 8.140 37.156 ( 19.859 9.709 0.954) 22.125 38.283 ( 13.308 50.084 -38.667) 64.658 ======================= Grid point 336 (116/189) ======================= q-point: ( 0.42 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 11.811 16.642 12.774) 24.076 2.359 ( -0.589 26.884 18.644) 32.721 3.689 ( -2.469 -3.277 -15.992) 16.510 4.320 ( 11.508 6.240 14.380) 19.446 4.610 ( 12.790 4.476 -1.583) 13.642 5.406 ( -13.681 -9.078 3.073) 16.704 5.945 ( 4.542 -7.467 13.184) 15.818 6.310 ( -3.085 -4.797 5.072) 7.632 7.187 ( 3.073 6.018 -5.823) 8.920 7.362 ( 0.453 13.792 -6.032) 15.061 7.716 ( 16.295 -0.822 3.517) 16.690 8.147 ( 0.251 -1.959 -5.498) 5.842 10.338 ( 1.629 3.617 8.573) 9.447 10.648 ( -2.853 13.687 0.692) 13.998 11.009 ( 13.911 9.698 -3.278) 17.272 11.555 ( 15.522 5.838 -6.748) 17.904 12.228 ( -27.487 -14.258 13.837) 33.916 13.252 ( -11.397 -12.230 -8.217) 18.628 18.281 ( -8.824 -0.981 1.740) 9.048 18.682 ( 1.115 -7.557 -0.108) 7.639 18.858 ( 0.460 -0.819 -1.724) 1.963 19.100 ( -0.270 -1.228 -3.919) 4.116 21.096 ( -8.127 -11.262 8.354) 16.207 21.152 ( -3.489 -4.007 2.861) 6.034 27.477 ( 1.389 1.502 -0.030) 2.046 27.547 ( -0.670 -0.115 -0.964) 1.180 36.739 ( 4.089 5.369 -1.425) 6.898 37.060 ( 7.774 5.306 3.064) 9.899 37.664 ( 26.227 9.179 1.936) 27.854 38.647 ( 7.469 28.836 -36.516) 47.124 ======================= Grid point 337 (117/189) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 11.897 14.566 5.917) 19.716 2.816 ( 11.650 26.404 7.285) 29.765 3.621 ( 6.467 -2.806 -12.067) 13.975 4.439 ( 1.880 -1.261 -2.690) 3.516 4.822 ( 1.353 2.457 6.664) 7.230 5.121 ( -11.634 -6.635 6.475) 14.876 6.028 ( 6.145 -11.040 8.961) 15.490 6.223 ( -5.331 -6.017 7.761) 11.174 7.216 ( -1.410 4.847 -13.074) 14.014 7.499 ( 1.906 14.381 0.576) 14.519 7.987 ( 13.885 -0.041 3.630) 14.352 8.117 ( 0.321 0.058 -4.437) 4.449 10.466 ( 2.633 4.245 8.991) 10.286 10.797 ( 4.449 9.712 6.631) 12.573 11.227 ( 4.010 4.230 -8.236) 10.089 11.687 ( -13.640 -4.683 7.003) 16.032 11.872 ( 4.882 -1.562 3.799) 6.380 12.898 ( -10.246 -10.108 -7.463) 16.213 18.142 ( -7.473 0.441 1.436) 7.623 18.589 ( -1.919 -7.904 -1.374) 8.249 18.815 ( -3.857 1.396 -1.733) 4.452 19.110 ( 4.701 -2.893 -2.352) 6.000 20.943 ( -4.595 -5.691 5.568) 9.192 21.055 ( -4.253 -3.888 0.821) 5.820 27.513 ( 1.277 0.914 -0.061) 1.572 27.542 ( -0.051 1.288 -0.759) 1.496 36.855 ( 3.271 7.265 -3.228) 8.597 37.274 ( 8.728 2.901 6.592) 11.316 38.218 ( 26.419 7.442 1.197) 27.474 38.757 ( 1.038 16.895 -28.608) 33.241 ======================= Grid point 338 (118/189) ======================= q-point: ( 0.58 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.903 ( 17.599 9.982 -4.424) 20.711 3.275 ( 11.165 21.107 -3.349) 24.112 3.688 ( 7.996 -1.449 -3.829) 8.983 4.342 ( -8.909 -4.023 -5.347) 11.142 4.793 ( -6.806 -1.937 4.965) 8.645 5.021 ( -0.589 1.241 9.220) 9.322 6.019 ( 2.305 -11.917 6.986) 14.005 6.082 ( -6.516 -10.055 9.220) 15.118 7.100 ( -7.756 5.092 -16.305) 18.760 7.685 ( 2.717 11.323 2.683) 11.949 8.077 ( -0.740 0.037 -5.349) 5.400 8.266 ( 11.911 1.595 8.959) 14.990 10.604 ( 4.294 1.699 8.923) 10.047 10.972 ( -1.699 0.681 9.942) 10.109 11.087 ( -9.656 -4.439 -15.132) 18.491 11.527 ( -3.745 3.590 16.383) 17.185 12.058 ( 11.622 2.289 -4.245) 12.583 12.652 ( -5.682 -6.459 -4.957) 9.929 18.067 ( -3.562 2.805 1.090) 4.663 18.441 ( -6.589 -5.762 -0.149) 8.754 18.793 ( 1.358 1.596 -3.012) 3.669 19.134 ( 2.742 -4.320 -1.157) 5.246 20.878 ( -1.464 -2.251 3.336) 4.283 20.945 ( -4.395 -3.297 -0.617) 5.529 27.542 ( 1.094 1.062 0.286) 1.551 27.555 ( 0.077 1.400 -0.618) 1.532 36.950 ( 1.623 6.880 -4.032) 8.138 37.469 ( 6.728 0.639 8.596) 10.935 38.571 ( 5.536 4.175 -19.970) 21.140 38.879 ( 15.025 11.250 -1.443) 18.825 ======================= Grid point 339 (119/189) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.202 ( 14.326 -2.235 -12.778) 19.326 3.512 ( 6.688 5.658 -10.712) 13.838 3.860 ( 3.589 11.585 1.497) 12.220 4.038 ( -11.638 -4.862 -4.945) 13.547 4.658 ( -7.629 -2.959 6.649) 10.544 5.152 ( 2.925 5.293 4.533) 7.558 5.922 ( -3.134 -11.084 9.280) 14.792 6.022 ( 1.019 -5.672 14.421) 15.529 6.907 ( -9.188 4.904 -15.781) 18.908 7.830 ( 2.364 6.695 1.298) 7.218 8.016 ( -3.045 0.212 -4.922) 5.791 8.506 ( 7.331 0.699 10.990) 13.229 10.589 ( -13.326 -5.661 -13.680) 19.919 10.797 ( 0.477 -8.418 9.420) 12.642 10.956 ( -4.266 1.494 7.410) 8.680 11.758 ( 8.192 8.027 14.198) 18.252 12.255 ( 11.153 3.262 -4.842) 12.588 12.470 ( -6.396 -5.674 -4.748) 9.780 18.088 ( 0.994 4.220 0.110) 4.337 18.280 ( -6.814 -2.004 1.368) 7.233 18.844 ( 4.700 0.730 -3.807) 6.093 19.107 ( 0.209 -4.664 -0.174) 4.672 20.836 ( -4.199 -2.529 -1.131) 5.031 20.876 ( 0.855 -0.281 1.778) 1.993 27.559 ( -0.351 0.589 -0.402) 0.795 27.575 ( 0.889 1.548 0.533) 1.863 36.995 ( -0.811 5.025 -3.887) 6.405 37.597 ( 2.731 -1.189 9.038) 9.516 38.451 ( -6.360 2.510 -20.719) 21.818 39.310 ( 20.243 6.735 2.996) 21.543 ======================= Grid point 340 (120/189) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -4.136 -8.918 -6.320) 11.687 3.448 ( -10.437 -11.375 -8.309) 17.532 3.775 ( 6.177 -3.100 -5.288) 8.702 4.203 ( 2.452 25.586 -10.625) 27.813 4.626 ( 4.447 -2.310 11.963) 12.970 5.184 ( -3.392 0.590 0.544) 3.485 5.834 ( -1.202 -10.498 6.406) 12.357 6.054 ( -6.971 -1.585 17.013) 18.454 6.769 ( -4.302 6.816 -9.574) 12.515 7.876 ( -1.179 -3.223 -2.623) 4.319 7.970 ( -0.455 6.199 -3.278) 7.027 8.624 ( 0.188 -2.224 10.095) 10.339 10.230 ( -8.721 -2.863 -14.735) 17.361 10.705 ( -7.736 -4.943 8.947) 12.819 11.089 ( 8.706 -1.827 13.674) 16.313 11.966 ( 1.028 2.490 7.058) 7.555 12.230 ( -7.450 -7.444 -6.549) 12.401 12.515 ( 13.448 6.991 -1.632) 15.244 18.120 ( -0.597 -0.965 0.142) 1.143 18.259 ( 1.563 7.621 1.726) 7.969 18.904 ( 4.775 -1.006 -5.325) 7.223 19.065 ( -0.163 -3.573 1.019) 3.719 20.741 ( -3.760 -1.726 -0.642) 4.187 20.912 ( 2.125 0.573 0.826) 2.351 27.552 ( -0.484 -0.159 -0.162) 0.534 27.602 ( -0.036 1.506 0.380) 1.554 36.977 ( -3.495 2.605 -3.107) 5.353 37.631 ( -2.187 -2.390 8.165) 8.784 38.218 ( -10.635 0.515 -16.365) 19.524 39.704 ( 18.089 4.340 -0.158) 18.603 ======================= Grid point 341 (121/189) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.854 ( -19.719 -9.227 3.470) 22.046 3.099 ( -10.495 -13.689 0.113) 17.250 3.859 ( 9.975 -3.391 -7.856) 13.142 4.316 ( -5.250 17.146 -11.076) 21.077 4.932 ( 20.083 5.398 5.270) 21.453 5.105 ( -5.800 -0.346 0.838) 5.871 5.621 ( -17.037 -9.607 -0.018) 19.559 5.960 ( -5.582 -5.627 16.818) 18.593 6.756 ( -4.520 8.601 -2.016) 9.923 7.765 ( -3.945 -3.515 -5.688) 7.763 8.035 ( 3.118 3.932 -3.313) 6.013 8.567 ( -7.781 -5.817 7.263) 12.130 10.150 ( 5.539 2.260 -5.762) 8.306 10.592 ( -6.455 1.000 5.745) 8.699 11.259 ( 3.360 -4.005 13.062) 14.070 11.917 ( -8.664 -2.431 2.761) 9.413 12.024 ( -1.632 -7.727 -4.587) 9.133 12.838 ( 16.098 6.710 -1.542) 17.509 18.126 ( 1.380 1.324 2.105) 2.844 18.416 ( 5.253 7.979 0.332) 9.559 18.921 ( 3.480 -2.711 -7.650) 8.831 19.056 ( 1.408 -1.632 1.801) 2.809 20.672 ( -2.764 -0.842 1.175) 3.119 20.964 ( 2.626 0.799 0.483) 2.787 27.541 ( -0.172 -0.714 -0.065) 0.737 27.603 ( -1.437 1.131 -0.117) 1.832 36.898 ( -5.692 0.567 -2.028) 6.069 37.563 ( -6.945 -3.222 6.121) 9.802 37.929 ( -14.026 -0.125 -11.849) 18.361 40.002 ( 14.668 1.936 -6.605) 16.203 ======================= Grid point 347 (122/189) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.000 20.458 15.652) 25.759 2.684 ( 0.000 22.138 26.106) 34.229 3.802 ( 0.000 10.578 11.264) 15.452 3.994 ( 0.000 20.190 5.310) 20.876 4.186 ( -0.000 -11.885 -15.734) 19.718 5.691 ( -0.000 -12.400 11.586) 16.970 5.843 ( -0.000 -10.084 -5.890) 11.678 6.474 ( -0.000 -0.922 6.399) 6.465 7.075 ( -0.000 -10.987 -4.242) 11.777 7.215 ( -0.000 5.165 12.187) 13.237 7.452 ( 0.000 27.176 -6.347) 27.907 8.136 ( 0.000 -3.992 -6.680) 7.782 10.421 ( 0.000 9.341 9.468) 13.300 10.549 ( 0.000 8.111 0.007) 8.111 10.946 ( 0.000 7.497 -7.017) 10.268 11.072 ( 0.000 16.653 -3.263) 16.970 12.838 ( -0.000 -14.228 5.426) 15.227 13.464 ( -0.000 -14.360 -7.978) 16.427 18.534 ( -0.000 0.788 1.247) 1.475 18.547 ( -0.000 -5.204 6.284) 8.159 18.796 ( -0.000 -9.502 -7.651) 12.200 19.166 ( 0.000 0.427 -1.800) 1.850 21.217 ( -0.000 -4.833 4.360) 6.510 21.285 ( -0.000 -20.612 8.852) 22.433 27.452 ( 0.000 1.519 0.369) 1.563 27.561 ( -0.000 -0.966 -1.109) 1.471 36.608 ( 0.000 3.327 1.309) 3.575 36.921 ( 0.000 9.900 -4.315) 10.800 37.128 ( 0.000 14.607 3.345) 14.985 38.492 ( 0.000 45.440 -33.816) 56.642 ======================= Grid point 348 (123/189) ======================= q-point: ( 0.42 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 7.101 20.815 11.506) 24.821 2.888 ( -12.183 22.478 22.958) 34.362 3.652 ( -8.107 -3.952 -17.702) 19.867 4.106 ( 13.583 -9.684 -11.439) 20.227 4.546 ( 12.002 23.797 19.733) 33.163 5.541 ( -9.389 -9.744 6.241) 14.901 5.777 ( 5.314 -11.387 2.618) 12.835 6.423 ( -6.987 -1.503 7.821) 10.595 7.066 ( 11.225 -5.475 -6.683) 14.165 7.377 ( 3.544 5.041 8.979) 10.890 7.676 ( 1.812 20.566 -5.982) 21.495 8.091 ( 0.612 1.388 -5.407) 5.616 10.474 ( -4.527 7.810 9.194) 12.885 10.779 ( 6.431 6.080 4.079) 9.745 10.921 ( 1.358 10.596 -4.967) 11.781 11.348 ( 11.951 10.798 -5.217) 16.930 12.563 ( -18.202 -12.962 7.671) 23.625 13.214 ( -5.666 -15.697 -9.495) 19.200 18.425 ( -7.389 -1.775 2.490) 7.996 18.589 ( 0.792 -5.575 -1.686) 5.878 18.727 ( 7.220 -6.552 -1.367) 9.845 19.127 ( -3.505 -0.064 -2.027) 4.050 21.113 ( -3.830 -14.138 7.347) 16.387 21.168 ( -1.929 -5.493 2.887) 6.498 27.477 ( 0.629 1.852 0.110) 1.959 27.547 ( -0.113 -0.258 -0.987) 1.027 36.718 ( 5.775 4.751 2.507) 7.887 37.014 ( 2.399 9.762 -4.679) 11.089 37.435 ( 14.871 14.294 4.546) 21.122 38.718 ( 0.827 31.801 -30.792) 44.274 ======================= Grid point 349 (124/189) ======================= q-point: ( 0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 6.292 17.488 7.853) 20.177 3.082 ( -3.255 24.899 16.255) 29.913 3.434 ( 0.417 -6.123 -14.983) 16.191 4.224 ( 14.827 -3.933 -12.196) 19.597 4.917 ( -0.046 10.169 12.965) 16.477 5.295 ( -11.755 -7.660 7.008) 15.683 5.787 ( 7.438 -13.411 2.760) 15.582 6.300 ( -6.901 -5.885 2.048) 9.298 7.241 ( 8.009 6.208 -0.726) 10.159 7.498 ( 4.597 1.808 1.999) 5.329 7.870 ( 6.799 8.912 -0.798) 11.238 8.116 ( -1.559 9.506 -5.094) 10.897 10.539 ( -0.525 2.105 9.559) 9.802 10.876 ( 1.177 7.344 5.917) 9.504 11.145 ( 8.201 7.760 -4.596) 12.190 11.598 ( 10.181 6.536 -6.866) 13.911 12.136 ( -21.987 -9.167 12.618) 26.957 12.889 ( -7.665 -13.752 -9.916) 18.606 18.289 ( -7.517 -0.956 1.830) 7.795 18.509 ( -0.008 -5.565 -4.382) 7.083 18.813 ( 5.991 -4.395 2.285) 7.773 19.040 ( -3.509 -1.024 -2.761) 4.581 20.973 ( -3.401 -8.299 5.356) 10.446 21.080 ( -3.201 -5.097 0.974) 6.097 27.506 ( 0.815 1.368 0.130) 1.598 27.548 ( 0.339 1.256 -0.929) 1.598 36.885 ( 3.776 7.979 2.554) 9.190 37.155 ( 7.886 5.367 -3.516) 10.166 37.911 ( 21.078 11.627 5.166) 24.620 38.810 ( -1.944 20.278 -25.532) 32.663 ======================= Grid point 350 (125/189) ======================= q-point: ( 0.58 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( 4.012 13.957 1.826) 14.636 3.306 ( 1.750 6.127 -8.414) 10.555 3.509 ( 13.065 9.127 8.700) 18.157 4.349 ( 4.320 1.695 -11.003) 11.941 4.919 ( -6.903 -0.929 7.441) 10.192 5.133 ( -6.589 -0.686 9.151) 11.298 5.788 ( 8.142 -14.742 2.030) 16.963 6.093 ( -6.313 -10.866 -3.054) 12.932 7.296 ( -10.140 10.317 -2.909) 14.755 7.663 ( 11.273 -1.935 2.219) 11.651 8.110 ( 10.943 6.034 4.735) 13.363 8.145 ( -3.609 10.891 -4.357) 12.273 10.589 ( 2.501 -4.782 9.445) 10.878 11.053 ( 3.098 8.231 6.956) 11.213 11.151 ( -8.890 -1.008 -8.395) 12.269 11.703 ( -0.628 -0.060 2.658) 2.732 11.922 ( -0.849 2.074 6.068) 6.469 12.622 ( -3.966 -9.029 -7.989) 12.692 18.189 ( -5.578 2.042 1.809) 6.209 18.435 ( -0.797 -4.820 -2.937) 5.701 18.819 ( -2.623 -0.350 0.433) 2.681 19.003 ( 4.048 -5.056 -1.943) 6.763 20.892 ( -1.637 -4.220 3.487) 5.714 20.976 ( -3.708 -3.968 -0.493) 5.453 27.536 ( 1.121 1.296 0.449) 1.771 27.566 ( 0.182 1.853 -0.899) 2.068 37.014 ( -0.120 10.123 -0.029) 10.124 37.341 ( 10.735 0.448 0.453) 10.754 38.387 ( 17.348 9.218 1.383) 19.693 38.814 ( -0.138 11.645 -16.578) 20.259 ======================= Grid point 351 (126/189) ======================= q-point: ( 0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 3.373 6.643 -6.557) 9.925 3.361 ( 8.575 -0.775 -7.018) 11.108 3.899 ( 10.564 13.153 8.840) 19.046 4.172 ( -14.285 -5.753 -6.140) 16.578 4.836 ( -9.809 4.067 1.238) 10.690 5.181 ( 3.702 4.528 7.375) 9.413 5.837 ( 12.387 -11.529 3.997) 17.388 5.876 ( -2.889 -12.310 -1.956) 12.795 7.144 ( -14.715 8.692 -3.921) 17.535 7.797 ( 6.822 -4.269 0.809) 8.088 8.130 ( -7.437 12.364 -4.464) 15.103 8.405 ( 11.681 1.715 9.063) 14.884 10.641 ( 3.522 -7.609 8.189) 11.720 10.781 ( -15.623 -7.750 -12.801) 21.633 11.136 ( -7.107 2.992 10.872) 13.329 11.795 ( 5.179 5.827 10.344) 12.953 12.064 ( 9.887 3.129 -3.022) 10.802 12.461 ( -2.880 -6.045 -6.519) 9.345 18.159 ( -3.151 4.765 0.683) 5.753 18.351 ( -2.849 -3.023 0.224) 4.160 18.786 ( -0.135 0.671 -2.155) 2.261 19.012 ( 3.850 -6.326 -0.784) 7.447 20.867 ( 0.140 -1.733 1.900) 2.575 20.874 ( -3.612 -2.552 -0.961) 4.526 27.574 ( -0.119 1.469 -0.406) 1.529 27.576 ( 0.885 1.500 0.352) 1.777 37.080 ( -2.651 8.798 -1.420) 9.298 37.513 ( 8.662 -2.051 2.668) 9.293 38.534 ( -6.146 9.329 -11.605) 16.108 39.023 ( 19.196 3.896 -0.200) 19.589 ======================= Grid point 352 (127/189) ======================= q-point: (-0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 1.587 -1.798 -7.137) 7.529 3.489 ( 5.626 2.968 -6.514) 9.105 3.737 ( -16.607 -11.105 -1.527) 20.037 4.281 ( 11.839 11.566 5.489) 17.437 4.701 ( -10.366 6.321 -1.749) 12.266 5.259 ( -2.756 2.082 2.028) 4.005 5.742 ( 0.635 -10.610 -0.507) 10.641 6.038 ( 13.459 -5.083 7.592) 16.267 6.972 ( -12.568 9.511 -1.062) 15.797 7.824 ( 2.242 -5.537 -1.382) 6.131 8.094 ( -6.841 9.519 -2.686) 12.026 8.602 ( 5.428 -2.105 8.121) 9.992 10.331 ( -14.836 -2.082 -14.514) 20.859 10.726 ( 4.707 -11.581 12.524) 17.695 11.086 ( -4.738 0.640 11.402) 12.364 11.997 ( 4.657 4.301 4.593) 7.828 12.183 ( 0.811 -5.722 -6.584) 8.761 12.385 ( 5.706 3.323 -1.836) 6.854 18.145 ( -2.810 2.137 -1.206) 3.730 18.333 ( 0.138 3.953 3.419) 5.228 18.795 ( 2.668 -0.917 -4.155) 5.023 19.003 ( 2.393 -5.348 0.111) 5.860 20.786 ( -3.583 -1.349 -0.682) 3.889 20.884 ( 1.774 -0.401 0.943) 2.049 27.567 ( -1.113 0.644 -0.394) 1.345 27.614 ( 0.775 1.491 0.478) 1.747 37.082 ( -4.902 6.067 -1.180) 7.888 37.612 ( 4.206 -3.396 2.191) 5.833 38.390 ( -12.388 7.633 -8.969) 17.093 39.394 ( 20.119 0.967 -1.341) 20.187 ======================= Grid point 353 (128/189) ======================= q-point: (-0.17 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.003 ( -0.343 -0.869 -0.036) 0.935 3.220 ( -21.846 -8.625 1.705) 23.549 3.659 ( 7.490 -1.579 -6.253) 9.884 4.575 ( -9.644 20.297 -9.007) 24.209 4.657 ( 16.752 -3.910 6.445) 18.370 5.205 ( -4.868 0.713 1.599) 5.173 5.641 ( -1.284 -8.420 -3.557) 9.231 6.115 ( -3.849 -7.729 9.430) 12.786 6.937 ( -5.164 12.308 3.132) 13.710 7.761 ( -1.974 -4.052 -3.609) 5.774 8.065 ( -3.391 5.332 -2.051) 6.644 8.626 ( -2.070 -6.311 5.243) 8.462 10.127 ( -2.581 4.189 -6.882) 8.460 10.706 ( -3.000 -5.283 9.768) 11.503 11.160 ( 6.983 -4.808 13.348) 15.813 11.981 ( -6.786 -8.300 -8.462) 13.658 12.048 ( -3.889 1.431 0.831) 4.226 12.622 ( 13.852 4.289 -0.988) 14.534 18.125 ( -0.129 1.158 0.119) 1.171 18.442 ( 3.016 6.828 2.874) 7.999 18.799 ( 2.670 -2.001 -6.244) 7.079 19.001 ( 2.525 -3.571 0.901) 4.466 20.720 ( -2.943 -0.294 0.684) 3.035 20.925 ( 2.649 0.060 0.382) 2.677 27.548 ( -1.162 0.040 -0.132) 1.170 27.631 ( -0.468 0.932 -0.066) 1.045 37.023 ( -6.920 3.675 -0.145) 7.837 37.605 ( -1.099 -4.766 -0.331) 4.902 38.188 ( -15.620 8.047 -3.955) 18.011 39.693 ( 17.028 -1.450 -6.942) 18.446 ======================= Grid point 360 (129/189) ======================= q-point: ( 0.42 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( 0.000 20.139 8.984) 22.052 3.289 ( -0.000 10.308 19.086) 21.692 3.672 ( -0.000 -15.507 -19.205) 24.684 3.703 ( 0.000 3.291 -13.707) 14.097 4.847 ( 0.000 29.555 20.290) 35.849 5.597 ( -0.000 -10.613 12.435) 16.348 5.598 ( -0.000 -10.948 -2.251) 11.177 6.556 ( -0.000 1.837 7.500) 7.722 6.785 ( -0.000 -10.961 -7.705) 13.398 7.504 ( 0.000 10.110 11.544) 15.345 7.739 ( 0.000 5.038 -11.160) 12.244 8.164 ( 0.000 17.371 -2.904) 17.612 10.640 ( -0.000 -4.574 3.552) 5.791 10.764 ( 0.000 11.804 12.862) 17.458 10.981 ( 0.000 6.549 -5.007) 8.244 11.366 ( 0.000 17.545 -5.366) 18.347 12.632 ( -0.000 -11.925 4.986) 12.926 13.036 ( -0.000 -17.684 -11.106) 20.882 18.496 ( -0.000 -6.687 6.359) 9.228 18.508 ( -0.000 -9.280 -7.970) 12.233 18.577 ( 0.000 1.315 0.980) 1.641 19.152 ( 0.000 -0.143 -1.140) 1.149 21.046 ( -0.000 -12.343 6.193) 13.809 21.140 ( -0.000 -6.172 2.017) 6.493 27.492 ( 0.000 2.197 -0.048) 2.197 27.539 ( 0.000 -0.176 -0.802) 0.821 36.708 ( 0.000 5.045 0.380) 5.059 37.118 ( 0.000 12.108 0.464) 12.117 37.476 ( 0.000 15.922 3.645) 16.334 38.851 ( 0.000 25.928 -26.881) 37.348 ======================= Grid point 361 (130/189) ======================= q-point: ( 0.50 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.693 ( 5.544 17.014 6.384) 18.999 3.238 ( -1.375 -12.737 -8.317) 15.274 3.527 ( -7.974 12.106 9.141) 17.137 3.842 ( 15.452 2.235 -12.872) 20.235 5.174 ( -4.511 18.503 12.160) 22.596 5.412 ( -6.497 -8.433 3.559) 11.225 5.595 ( 3.097 -11.134 7.592) 13.827 6.391 ( -11.689 -5.252 -3.847) 13.380 6.954 ( 20.950 -2.054 2.401) 21.187 7.625 ( -4.190 10.065 6.157) 12.521 7.760 ( 6.953 -0.255 -6.018) 9.199 8.319 ( -3.414 20.744 -3.494) 21.312 10.563 ( -0.526 -11.565 7.970) 14.055 10.966 ( 1.333 8.962 9.083) 12.829 11.087 ( 5.636 11.216 -4.334) 13.280 11.544 ( 3.853 14.093 -6.126) 15.842 12.415 ( -14.072 -10.243 7.236) 18.850 12.776 ( -2.967 -15.705 -11.946) 19.954 18.337 ( -2.883 -8.524 -0.968) 9.050 18.475 ( -0.758 -1.123 -3.102) 3.385 18.650 ( 6.115 -3.160 3.474) 7.710 19.108 ( -4.171 -0.194 -1.052) 4.306 20.955 ( -1.413 -8.697 4.797) 10.032 21.073 ( -1.625 -5.682 0.644) 5.945 27.513 ( 0.121 1.624 -0.010) 1.629 27.544 ( 0.824 1.016 -0.763) 1.515 36.832 ( 8.007 4.480 0.606) 9.195 37.206 ( -3.370 11.853 0.400) 12.329 37.774 ( 13.130 13.440 5.312) 19.526 38.921 ( -2.516 18.935 -22.045) 29.169 ======================= Grid point 362 (131/189) ======================= q-point: ( 0.58 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.954 ( 3.275 12.631 3.043) 13.399 3.124 ( 6.578 -9.373 -8.886) 14.495 3.628 ( -0.654 11.907 13.966) 18.365 4.112 ( 17.310 6.523 -11.700) 21.887 5.099 ( -11.132 -6.409 6.831) 14.549 5.329 ( -8.323 7.779 2.247) 11.612 5.578 ( 2.662 -10.100 7.572) 12.901 6.097 ( -10.036 -8.313 -8.808) 15.729 7.312 ( 19.012 -3.324 2.707) 19.489 7.622 ( -9.857 8.656 2.028) 13.274 7.929 ( 13.910 1.750 0.834) 14.044 8.402 ( -6.911 18.049 -4.111) 19.759 10.497 ( 2.927 -15.157 10.093) 18.443 11.113 ( 0.557 9.520 -4.199) 10.420 11.248 ( 1.558 6.909 5.190) 8.781 11.650 ( 0.919 5.698 -7.167) 9.202 12.135 ( -12.461 -4.515 11.036) 17.247 12.530 ( -2.498 -9.892 -10.942) 14.961 18.241 ( -0.165 -5.379 1.258) 5.526 18.423 ( -3.067 1.622 -4.669) 5.817 18.741 ( 6.952 -5.521 3.577) 9.571 19.005 ( -6.259 -0.084 -1.557) 6.450 20.886 ( -1.043 -5.319 3.331) 6.362 20.986 ( -2.550 -4.223 -0.533) 4.961 27.534 ( 0.798 1.109 0.380) 1.418 27.571 ( 0.810 1.914 -0.909) 2.269 37.046 ( 10.202 3.859 2.088) 11.106 37.259 ( -2.090 9.581 -1.929) 9.994 38.193 ( 17.864 8.961 6.555) 21.033 38.907 ( -5.411 13.458 -16.394) 21.890 ======================= Grid point 363 (132/189) ======================= q-point: ( 0.67 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( -2.911 10.703 -1.775) 11.232 3.134 ( 9.812 -5.739 -4.488) 12.221 3.872 ( 9.033 4.137 13.761) 16.973 4.290 ( -2.949 3.910 -10.659) 11.730 4.990 ( 3.155 -0.460 8.237) 8.833 5.243 ( -7.620 7.283 -3.265) 11.035 5.574 ( 3.545 -8.565 6.042) 11.065 5.818 ( -6.313 -8.832 -7.736) 13.331 7.474 ( -11.976 6.659 1.542) 13.789 7.554 ( 10.916 -6.583 -1.813) 12.876 8.235 ( 14.997 2.205 5.722) 16.202 8.400 ( -9.118 14.017 -3.767) 17.141 10.481 ( 6.264 -15.552 11.500) 20.331 10.947 ( -15.796 -1.330 -16.247) 22.698 11.368 ( -5.337 7.686 13.376) 16.325 11.703 ( 8.146 -0.025 -4.755) 9.432 12.059 ( -2.035 2.356 8.992) 9.515 12.391 ( -0.249 -3.960 -8.979) 9.817 18.234 ( 1.311 -0.986 2.940) 3.366 18.354 ( -3.640 1.160 -4.238) 5.706 18.804 ( 2.888 -3.610 2.944) 5.481 18.900 ( -2.504 -1.621 -2.627) 3.974 20.852 ( 0.132 -2.876 2.009) 3.511 20.901 ( -2.931 -2.426 -1.010) 3.936 27.568 ( 1.508 1.090 0.628) 1.964 27.592 ( -0.054 1.750 -0.829) 1.938 37.225 ( -0.495 8.324 2.874) 8.820 37.330 ( 7.683 0.913 -2.999) 8.297 38.599 ( 14.414 6.949 5.031) 16.774 38.847 ( -3.415 7.803 -10.590) 13.590 ======================= Grid point 364 (133/189) ======================= q-point: (-0.25 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( -5.439 5.215 -1.404) 7.665 3.296 ( 12.058 0.041 -4.363) 12.823 3.998 ( -20.365 -2.981 -4.481) 21.064 4.125 ( 12.656 -5.379 10.410) 17.247 5.032 ( -12.997 16.288 -2.508) 20.988 5.318 ( 3.035 4.137 0.281) 5.138 5.608 ( 4.270 -8.849 -1.800) 9.988 5.701 ( 12.806 -6.957 1.426) 14.643 7.304 ( -14.283 7.213 2.989) 16.278 7.654 ( 8.707 -7.138 -2.796) 11.601 8.332 ( -10.086 9.429 -2.321) 14.001 8.488 ( 9.696 -2.031 5.388) 11.277 10.523 ( -8.703 -4.416 -5.640) 11.271 10.534 ( -0.731 -10.782 3.064) 11.233 11.328 ( -11.624 2.995 13.216) 17.854 11.835 ( 10.973 -4.201 -8.752) 14.651 12.161 ( 1.829 4.296 6.664) 8.136 12.329 ( 1.327 0.552 -5.571) 5.754 18.243 ( -5.202 3.676 -1.226) 6.486 18.325 ( 3.842 -1.455 2.061) 4.596 18.785 ( -2.802 1.540 -1.339) 3.466 18.888 ( 4.439 -5.074 -0.329) 6.749 20.829 ( -3.050 -0.841 -0.695) 3.239 20.853 ( 1.415 -1.449 0.926) 2.227 27.594 ( -1.065 1.234 -0.518) 1.711 27.608 ( 1.516 0.776 0.506) 1.777 37.244 ( -5.936 7.346 0.974) 9.495 37.467 ( 8.574 -2.807 -1.462) 9.139 38.673 ( -12.200 11.789 -2.357) 17.128 39.034 ( 20.139 -1.537 -1.625) 20.263 ======================= Grid point 365 (134/189) ======================= q-point: (-0.17 0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( -2.387 7.148 2.967) 8.099 3.465 ( 9.139 -2.195 -5.483) 10.881 3.574 ( -22.142 -0.225 0.112) 22.144 4.337 ( 15.940 -10.433 5.215) 19.751 4.949 ( -14.449 18.874 -3.592) 24.039 5.304 ( -4.333 1.845 0.834) 4.783 5.542 ( 0.640 -6.731 -3.713) 7.714 5.947 ( 14.519 -9.235 0.450) 17.213 7.211 ( -8.889 10.210 7.479) 15.466 7.681 ( 3.940 -5.035 -4.408) 7.765 8.224 ( -9.177 4.891 -0.936) 10.441 8.574 ( 2.839 -7.084 3.060) 8.223 10.231 ( -8.922 4.804 -9.096) 13.617 10.625 ( 8.373 -11.381 12.389) 18.792 11.232 ( -8.944 0.572 13.679) 16.354 11.846 ( 5.015 -9.595 -13.312) 17.159 12.170 ( -5.718 4.860 0.194) 7.507 12.456 ( 9.730 2.490 0.751) 10.072 18.176 ( -4.122 2.174 -0.528) 4.690 18.418 ( 5.445 -0.995 2.394) 6.031 18.760 ( -0.909 3.006 -3.364) 4.602 18.917 ( 3.640 -3.130 0.345) 4.813 20.773 ( -2.877 0.316 0.273) 2.907 20.879 ( 2.468 -0.816 0.220) 2.608 27.577 ( -1.696 0.670 -0.143) 1.829 27.634 ( 0.680 0.107 0.006) 0.689 37.196 ( -7.356 4.898 1.550) 8.972 37.525 ( 3.538 -4.609 -2.727) 6.418 38.548 ( -14.966 12.082 0.905) 19.255 39.327 ( 18.402 -3.485 -5.946) 19.650 ======================= Grid point 373 (135/189) ======================= q-point: ( 0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 0.000 13.529 4.003) 14.109 3.015 ( -0.000 -17.672 -12.437) 21.610 3.720 ( 0.000 9.595 -7.823) 12.380 3.741 ( -0.000 5.498 12.024) 13.222 5.345 ( -0.000 -11.851 -2.409) 12.093 5.430 ( 0.000 5.142 1.450) 5.343 5.618 ( -0.000 7.993 18.477) 20.132 6.506 ( -0.000 -8.901 -5.946) 10.705 6.681 ( 0.000 2.852 3.808) 4.758 7.626 ( 0.000 -1.029 -8.161) 8.226 7.818 ( 0.000 9.483 7.995) 12.403 8.533 ( 0.000 19.158 -4.081) 19.587 10.444 ( -0.000 -19.542 9.772) 21.849 11.113 ( 0.000 9.276 10.306) 13.866 11.120 ( 0.000 13.149 -9.112) 15.997 11.641 ( 0.000 15.137 -4.287) 15.733 12.475 ( -0.000 -10.200 6.156) 11.914 12.567 ( -0.000 -14.753 -13.301) 19.864 18.257 ( -0.000 -7.525 -5.676) 9.426 18.423 ( -0.000 -6.756 4.773) 8.272 18.633 ( 0.000 3.080 0.388) 3.104 19.140 ( -0.000 -0.376 -0.130) 0.398 20.909 ( -0.000 -7.367 3.956) 8.362 21.033 ( -0.000 -5.204 -0.054) 5.204 27.534 ( 0.000 2.189 -0.351) 2.217 27.536 ( 0.000 0.465 -0.359) 0.587 36.801 ( 0.000 4.728 -1.108) 4.856 37.390 ( 0.000 10.008 7.826) 12.704 37.799 ( 0.000 12.916 0.945) 12.951 39.015 ( 0.000 16.330 -16.772) 23.409 ======================= Grid point 374 (136/189) ======================= q-point: ( 0.58 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 4.576 -10.189 -5.617) 12.502 3.018 ( 6.417 10.610 3.399) 12.857 3.790 ( -1.640 2.712 8.487) 9.060 3.890 ( 9.896 7.996 -4.370) 13.453 5.167 ( -5.687 -10.965 -1.577) 12.453 5.414 ( -0.301 -4.246 -0.777) 4.327 5.752 ( -8.982 14.199 11.940) 20.612 6.201 ( -15.058 -6.374 -5.318) 17.195 6.945 ( 19.238 -2.977 -0.184) 19.468 7.702 ( 11.793 2.349 -2.283) 12.239 7.877 ( -6.477 6.473 4.228) 10.086 8.643 ( -4.145 15.176 -4.866) 16.467 10.323 ( 2.674 -20.246 11.603) 23.488 11.184 ( -1.276 11.308 -9.665) 14.930 11.278 ( 4.642 5.914 4.224) 8.624 11.738 ( -2.917 10.178 -2.424) 10.861 12.288 ( -7.670 -8.457 1.967) 11.586 12.415 ( -0.829 -7.997 -6.014) 10.040 18.169 ( 0.598 -5.284 -2.297) 5.792 18.414 ( 2.699 -3.960 0.056) 4.792 18.664 ( 0.291 1.192 2.089) 2.422 19.098 ( -4.288 -0.324 0.104) 4.302 20.860 ( -0.324 -5.392 2.908) 6.135 20.975 ( -1.191 -3.718 -0.726) 3.971 27.537 ( 0.065 0.788 0.122) 0.800 27.567 ( 1.185 1.809 -0.667) 2.263 36.907 ( 7.587 3.458 -1.084) 8.408 37.460 ( -6.150 8.919 6.554) 12.662 38.032 ( 12.616 7.461 1.710) 14.757 39.059 ( -4.034 14.427 -10.345) 18.205 ======================= Grid point 375 (137/189) ======================= q-point: ( 0.67 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 868 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.895 ( 8.965 -4.095 -0.362) 9.863 3.220 ( 1.799 9.400 1.437) 9.678 3.835 ( 2.273 -5.097 11.749) 13.007 4.183 ( 15.717 10.416 -8.314) 20.606 4.936 ( -5.556 -11.630 0.607) 12.903 5.357 ( -1.282 -2.229 -2.107) 3.324 5.743 ( -12.231 12.455 5.910) 18.429 5.870 ( -12.832 -4.767 -4.217) 14.323 7.197 ( 16.896 -6.532 -3.328) 18.418 7.780 ( -11.690 3.964 1.371) 12.420 7.999 ( 16.982 2.233 3.040) 17.396 8.645 ( -7.236 10.787 -5.048) 13.936 10.269 ( 5.788 -17.906 12.306) 22.485 11.103 ( -10.976 3.626 -15.099) 19.016 11.432 ( 8.394 0.053 -1.571) 8.540 11.718 ( -8.016 6.991 4.421) 11.519 12.154 ( -3.500 -4.024 6.861) 8.690 12.327 ( -0.152 0.523 -7.088) 7.109 18.158 ( 3.448 -3.326 0.681) 4.839 18.413 ( -0.433 1.086 -3.807) 3.983 18.697 ( 2.756 -2.386 3.587) 5.114 18.999 ( -6.671 0.210 -0.128) 6.676 20.827 ( 0.211 -3.586 1.804) 4.019 20.916 ( -1.873 -1.802 -0.980) 2.778 27.555 ( 1.105 0.515 0.452) 1.300 27.599 ( 0.790 1.702 -0.732) 2.014 37.091 ( 11.028 1.156 -1.180) 11.151 37.458 ( -6.568 7.655 3.766) 10.767 38.347 ( 17.291 1.078 2.151) 17.457 39.054 ( -8.184 13.589 -4.003) 16.360 ======================= Grid point 376 (138/189) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.049 ( 11.110 -1.083 0.773) 11.189 3.265 ( -6.132 8.919 -1.044) 10.874 3.890 ( 8.671 -13.850 8.641) 18.485 4.278 ( -13.274 5.293 -8.144) 16.448 4.996 ( 23.370 -4.487 2.693) 23.949 5.316 ( -2.273 2.092 -0.486) 3.127 5.609 ( -6.633 -4.028 -2.094) 8.038 5.696 ( -12.935 11.464 2.052) 17.405 7.371 ( 13.541 -6.433 -4.656) 15.698 7.607 ( -12.571 3.240 2.604) 13.240 8.288 ( 13.419 -2.178 3.016) 13.925 8.564 ( -9.045 6.328 -3.811) 11.678 10.302 ( 8.607 -13.724 12.143) 20.245 10.760 ( -18.319 0.206 -15.580) 24.049 11.528 ( 9.863 -6.515 -9.849) 15.386 11.655 ( -11.813 4.415 11.577) 17.119 12.175 ( 4.185 -0.420 6.529) 7.767 12.322 ( -1.109 5.681 -5.661) 8.096 18.216 ( 5.491 -2.674 1.803) 6.368 18.372 ( -4.798 3.692 -3.403) 6.945 18.753 ( 4.952 -3.167 2.562) 6.412 18.890 ( -6.141 1.353 -0.594) 6.317 20.816 ( 1.144 -2.338 0.797) 2.722 20.866 ( -2.288 -0.118 -0.709) 2.399 27.586 ( 1.684 -0.006 0.452) 1.743 27.616 ( -0.241 1.364 -0.497) 1.472 37.269 ( 10.250 -1.615 -1.812) 10.533 37.430 ( -6.505 5.763 2.670) 9.091 38.658 ( 19.272 -3.166 -0.001) 19.531 39.009 ( -11.601 13.429 0.969) 17.772 ======================= Grid point 377 (139/189) ======================= q-point: (-0.17 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 7.682 2.067 -7.803) 11.143 3.240 ( -2.051 7.687 7.803) 11.143 3.964 ( -21.083 4.158 -2.622) 21.648 3.964 ( 14.142 -16.179 2.622) 21.648 5.310 ( 8.998 -1.841 -4.109) 10.062 5.310 ( -6.093 6.873 4.109) 10.062 5.575 ( -1.027 0.348 -3.415) 3.583 5.575 ( 0.815 -0.715 3.415) 3.583 7.485 ( 9.464 -4.619 -6.546) 12.400 7.485 ( -8.732 5.887 6.546) 12.400 8.427 ( -9.923 2.276 -1.281) 10.261 8.427 ( 6.933 -7.455 1.281) 10.261 10.415 ( -13.301 3.919 -11.349) 17.918 10.415 ( 10.044 -9.559 11.349) 17.918 11.535 ( 8.685 -10.630 -15.053) 20.372 11.535 ( -13.548 2.206 15.053) 20.372 12.319 ( 0.212 4.777 -5.657) 7.407 12.319 ( 4.031 2.572 5.657) 7.407 18.294 ( -6.240 3.048 -1.065) 7.025 18.294 ( 5.760 -3.880 1.065) 7.025 18.825 ( -2.259 2.859 -1.143) 3.819 18.825 ( 3.605 -0.527 1.143) 3.819 20.827 ( 1.372 -1.233 -0.076) 1.847 20.827 ( -1.754 0.572 0.076) 1.847 27.612 ( -0.253 0.245 -0.100) 0.366 27.612 ( 0.338 -0.097 0.100) 0.366 37.376 ( 6.060 -3.716 -2.986) 7.710 37.376 ( -6.248 3.390 2.986) 7.710 38.937 ( 18.188 -4.672 -4.097) 19.221 38.937 ( -13.141 13.415 4.097) 19.221 ======================= Grid point 387 (140/189) ======================= q-point: ( 0.58 0.58 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( -0.000 -2.336 3.445) 4.162 3.059 ( 0.000 7.582 3.520) 8.359 3.844 ( 0.000 7.417 -4.262) 8.554 3.861 ( -0.000 -3.860 7.663) 8.580 5.097 ( -0.000 -8.391 -5.258) 9.902 5.361 ( -0.000 -5.155 -1.151) 5.282 6.026 ( 0.000 11.766 4.692) 12.667 6.347 ( -0.000 -4.191 4.864) 6.420 6.670 ( 0.000 -3.032 -7.511) 8.099 7.611 ( 0.000 4.180 0.340) 4.194 7.997 ( 0.000 2.580 1.266) 2.874 8.781 ( 0.000 10.915 -5.739) 12.332 10.163 ( -0.000 -19.596 12.855) 23.437 11.264 ( -0.000 -1.664 -1.426) 2.191 11.269 ( 0.000 13.490 -12.546) 18.423 11.865 ( 0.000 9.401 1.247) 9.484 12.264 ( 0.000 -0.264 -10.301) 10.305 12.347 ( -0.000 -10.778 7.774) 13.289 18.111 ( 0.000 -2.014 -3.003) 3.616 18.331 ( -0.000 -6.101 1.790) 6.359 18.706 ( 0.000 3.321 1.492) 3.641 19.132 ( -0.000 -0.780 0.668) 1.027 20.826 ( -0.000 -4.716 2.236) 5.220 20.949 ( -0.000 -2.412 -0.931) 2.585 27.545 ( 0.000 0.462 -0.007) 0.462 27.568 ( 0.000 1.659 -0.461) 1.722 36.869 ( 0.000 3.131 -0.862) 3.248 37.653 ( -0.000 4.368 13.258) 13.959 37.959 ( 0.000 5.050 -5.529) 7.488 39.204 ( 0.000 14.960 -3.951) 15.473 ======================= Grid point 388 (141/189) ======================= q-point: (-0.33 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.811 ( 1.549 3.584 8.946) 9.761 3.225 ( 7.443 5.407 5.462) 10.699 3.821 ( -2.018 -7.852 5.921) 10.039 3.980 ( 11.787 6.467 -4.267) 14.106 4.941 ( -6.036 -6.499 -6.432) 10.956 5.311 ( 0.675 -3.984 -2.061) 4.536 5.981 ( -11.733 -3.320 -0.928) 12.229 6.195 ( -14.062 10.401 4.470) 18.053 6.808 ( 17.882 -5.818 -6.469) 19.886 7.784 ( 11.854 4.208 3.333) 13.012 7.949 ( -5.733 -1.255 -0.855) 5.930 8.798 ( -4.027 6.528 -6.357) 9.962 10.086 ( 3.498 -15.729 12.986) 20.694 11.190 ( -1.966 -4.629 -10.998) 12.093 11.304 ( -0.756 6.863 -11.370) 13.302 11.932 ( -3.258 7.489 4.441) 9.297 12.195 ( -4.449 -3.857 2.712) 6.483 12.311 ( 1.487 1.218 -1.010) 2.171 18.099 ( 0.879 -0.228 -0.485) 1.030 18.329 ( 4.890 -3.296 -1.501) 6.085 18.729 ( -2.097 2.364 2.985) 4.347 19.092 ( -3.922 -0.746 0.519) 4.026 20.795 ( 0.235 -3.742 1.384) 3.997 20.921 ( -0.836 -0.708 -0.948) 1.449 27.549 ( 0.233 0.199 0.221) 0.378 27.593 ( 1.149 1.314 -0.503) 1.817 36.947 ( 6.237 1.400 -0.566) 6.417 37.664 ( -7.265 3.070 7.745) 11.054 38.089 ( 12.742 -1.103 -1.352) 12.861 39.305 ( -4.856 15.051 1.176) 15.859 ======================= Grid point 389 (142/189) ======================= q-point: (-0.25 -0.42 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.929 ( 3.813 2.866 5.028) 6.931 3.399 ( 2.804 5.373 4.080) 7.306 3.694 ( -1.698 -15.512 3.791) 16.059 4.342 ( 16.744 11.900 -3.055) 20.768 4.723 ( -4.343 -7.040 -2.923) 8.773 5.289 ( 1.912 -3.057 -1.166) 3.790 5.716 ( -10.954 -5.188 0.869) 12.152 6.097 ( -13.849 12.190 0.449) 18.455 7.022 ( 16.792 -4.905 -5.976) 18.487 7.804 ( -7.990 -2.092 0.879) 8.306 8.051 ( 13.166 -0.159 2.612) 13.424 8.716 ( -6.500 2.391 -5.786) 9.024 10.114 ( 6.694 -10.014 11.758) 16.833 10.954 ( -12.285 -2.703 -15.250) 19.768 11.279 ( 3.088 -2.500 -11.785) 12.436 11.942 ( -7.949 3.659 9.636) 13.016 12.117 ( 1.186 -5.147 3.205) 6.178 12.385 ( 0.389 9.335 -1.945) 9.544 18.127 ( 2.839 -1.040 0.986) 3.180 18.394 ( 3.907 2.314 -4.082) 6.106 18.724 ( -1.635 0.341 4.587) 4.882 19.003 ( -5.746 0.026 0.107) 5.747 20.776 ( 0.876 -2.881 0.491) 3.051 20.897 ( -1.440 0.786 -0.692) 1.780 27.561 ( 1.057 -0.410 0.319) 1.178 27.621 ( 0.844 1.044 -0.359) 1.390 37.080 ( 8.817 -1.192 -0.808) 8.934 37.599 ( -6.406 2.017 3.514) 7.580 38.310 ( 16.384 -5.413 1.165) 17.295 39.345 ( -9.297 14.563 4.302) 17.806 ======================= Grid point 400 (143/189) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( -0.000 11.241 20.492) 23.373 3.184 ( -0.000 -1.161 4.713) 4.854 3.793 ( -0.000 -6.973 2.556) 7.427 3.894 ( 0.000 3.142 -3.367) 4.606 4.915 ( 0.000 -1.748 -9.050) 9.217 5.250 ( -0.000 -3.601 -3.196) 4.814 6.067 ( -0.000 -7.717 3.403) 8.434 6.429 ( 0.000 -6.919 -15.820) 17.266 6.505 ( 0.000 8.524 5.580) 10.188 7.757 ( 0.000 6.376 4.753) 7.953 7.947 ( -0.000 -5.931 -2.159) 6.312 8.838 ( 0.000 2.002 -7.275) 7.546 9.993 ( -0.000 -10.636 12.826) 16.662 11.038 ( -0.000 -11.134 -10.377) 15.220 11.377 ( 0.000 11.765 -14.857) 18.951 12.016 ( 0.000 3.027 0.426) 3.056 12.208 ( -0.000 -11.626 8.281) 14.274 12.345 ( 0.000 13.191 -1.373) 13.262 18.120 ( 0.000 4.631 -0.412) 4.649 18.226 ( -0.000 -4.489 -1.211) 4.649 18.796 ( 0.000 2.827 3.796) 4.733 19.118 ( -0.000 -1.261 0.186) 1.275 20.762 ( -0.000 -3.475 0.758) 3.557 20.922 ( 0.000 0.600 -0.856) 1.045 27.551 ( -0.000 0.066 0.115) 0.133 27.588 ( 0.000 0.746 -0.304) 0.805 36.903 ( 0.000 0.375 0.425) 0.567 37.832 ( -0.000 -2.457 15.926) 16.114 37.893 ( 0.000 -2.648 -9.357) 9.724 39.516 ( 0.000 15.333 4.529) 15.988 ======================= Grid point 401 (144/189) ======================= q-point: (-0.25 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( -6.734 2.343 8.817) 11.339 3.305 ( 5.736 -7.681 8.251) 12.649 3.707 ( -4.910 -2.563 2.873) 6.240 4.092 ( 18.268 7.030 3.368) 19.862 4.806 ( -7.016 2.901 -9.779) 12.380 5.212 ( 1.622 -3.750 -2.434) 4.756 5.854 ( -11.067 -9.190 2.369) 14.579 6.287 ( -2.405 -3.228 -11.003) 11.716 6.704 ( 11.984 2.251 -0.736) 12.216 7.848 ( -2.556 -6.535 0.263) 7.022 7.909 ( 6.865 4.140 4.078) 8.994 8.767 ( -3.248 -2.077 -7.377) 8.324 10.016 ( 3.433 -4.025 11.183) 12.371 10.875 ( 0.408 -11.064 -11.536) 15.989 11.324 ( -7.637 7.690 -14.842) 18.378 12.032 ( 1.078 -0.319 -0.890) 1.434 12.106 ( -3.959 -9.920 8.495) 13.647 12.495 ( 0.066 15.006 0.794) 15.027 18.120 ( -1.547 0.982 0.087) 1.835 18.292 ( 7.380 3.390 -2.270) 8.433 18.816 ( -3.196 1.910 5.327) 6.499 19.076 ( -3.171 -0.864 -0.453) 3.318 20.736 ( 0.513 -3.048 0.007) 3.091 20.924 ( -0.664 1.700 -0.666) 1.943 27.549 ( -0.007 -0.370 0.162) 0.403 27.606 ( 1.343 0.384 -0.169) 1.407 36.946 ( 4.852 -1.634 0.752) 5.174 37.714 ( -5.768 -3.093 0.198) 6.548 38.017 ( 11.721 -7.310 5.961) 15.045 39.648 ( -5.419 14.755 6.236) 16.911 ======================= Grid point 413 (145/189) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.038 ( -0.000 -16.108 -0.495) 16.115 3.297 ( -0.000 -9.014 9.397) 13.021 3.824 ( 0.000 8.928 12.277) 15.180 3.985 ( 0.000 6.412 4.064) 7.591 4.877 ( 0.000 10.709 -10.426) 14.946 5.142 ( -0.000 -4.590 -2.302) 5.135 5.844 ( -0.000 -19.314 1.606) 19.380 6.116 ( 0.000 -5.137 -17.390) 18.133 6.652 ( 0.000 1.942 1.211) 2.289 7.805 ( -0.000 -6.683 3.344) 7.472 7.935 ( 0.000 6.220 4.595) 7.733 8.707 ( -0.000 -6.559 -8.332) 10.604 10.043 ( -0.000 3.397 10.180) 10.732 10.699 ( -0.000 -10.784 -9.935) 14.663 11.374 ( 0.000 3.129 -14.704) 15.033 11.980 ( -0.000 -5.482 -2.000) 5.836 12.101 ( -0.000 -5.792 5.775) 8.179 12.669 ( 0.000 17.469 1.928) 17.575 18.142 ( 0.000 -1.313 -3.013) 3.287 18.270 ( 0.000 9.465 1.081) 9.527 18.900 ( -0.000 2.039 6.782) 7.082 19.088 ( 0.000 -0.865 -1.434) 1.675 20.700 ( -0.000 -2.963 -0.611) 3.025 20.947 ( 0.000 2.379 -0.607) 2.455 27.551 ( -0.000 -0.127 0.056) 0.139 27.590 ( -0.000 -0.433 0.012) 0.433 36.891 ( -0.000 -2.822 1.961) 3.436 37.685 ( -0.000 -7.554 -9.341) 12.014 37.892 ( -0.000 -9.003 16.015) 18.372 39.877 ( 0.000 14.345 6.878) 15.909 ======================= Grid point 480 (146/189) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -0.000 0.000 33.736) 33.736 1.685 ( -0.000 0.000 33.736) 33.736 2.730 ( -0.000 0.000 52.538) 52.538 4.267 ( 0.000 -0.000 -12.737) 12.737 4.267 ( 0.000 -0.000 -12.737) 12.737 6.153 ( -0.000 0.000 4.759) 4.759 6.153 ( 0.000 0.000 4.759) 4.759 6.293 ( 0.000 -0.000 -18.193) 18.193 6.928 ( -0.000 -0.000 -1.166) 1.166 6.928 ( 0.000 -0.000 -1.166) 1.166 7.541 ( -0.000 0.000 5.898) 5.898 8.290 ( 0.000 -0.000 -6.632) 6.632 10.290 ( 0.000 -0.000 0.650) 0.650 10.290 ( 0.000 -0.000 0.650) 0.650 10.532 ( 0.000 0.000 0.651) 0.651 10.532 ( 0.000 -0.000 0.651) 0.651 13.241 ( -0.000 0.000 3.378) 3.378 13.809 ( 0.000 -0.000 -5.496) 5.496 18.577 ( -0.000 0.000 4.315) 4.315 18.577 ( -0.000 0.000 4.315) 4.315 19.099 ( 0.000 -0.000 -4.083) 4.083 19.099 ( 0.000 -0.000 -4.083) 4.083 21.291 ( -0.000 0.000 6.750) 6.750 22.063 ( 0.000 -0.000 -5.698) 5.698 27.440 ( -0.000 0.000 1.170) 1.170 27.599 ( 0.000 -0.000 -1.333) 1.333 36.702 ( -0.000 -0.000 0.199) 0.199 36.702 ( 0.000 0.000 0.199) 0.199 36.745 ( -0.000 0.000 -0.341) 0.341 36.745 ( 0.000 -0.000 -0.341) 0.341 ======================= Grid point 481 (147/189) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 1.038 0.599 30.081) 30.105 1.972 ( -1.453 -0.839 33.914) 33.955 3.405 ( 29.741 17.171 42.992) 55.025 3.948 ( -10.785 -6.227 -17.403) 21.400 4.396 ( 8.135 4.697 -12.401) 15.557 5.894 ( -12.907 -7.452 -1.012) 14.938 6.187 ( -5.373 -3.102 11.448) 13.021 6.313 ( 4.185 2.416 -9.147) 10.345 6.917 ( 2.812 1.624 -1.010) 3.401 7.035 ( 6.488 3.746 -6.440) 9.879 7.567 ( 2.911 1.681 7.159) 7.908 8.227 ( -1.949 -1.125 -7.005) 7.357 10.292 ( 3.101 1.791 2.078) 4.140 10.386 ( -4.084 -2.358 2.072) 5.151 10.492 ( 11.942 6.895 -0.936) 13.821 10.917 ( 21.569 12.453 -5.448) 25.494 13.066 ( -17.006 -9.818 6.699) 20.748 13.692 ( -7.433 -4.291 -6.423) 10.720 18.496 ( -6.122 -3.535 3.674) 7.967 18.680 ( 4.139 2.390 5.183) 7.050 18.979 ( -4.635 -2.676 -5.102) 7.394 19.121 ( 0.401 0.231 -4.292) 4.317 21.298 ( -2.593 -1.497 6.409) 7.074 21.758 ( -19.656 -11.348 1.926) 22.778 27.440 ( -0.126 -0.073 1.197) 1.205 27.580 ( -0.883 -0.510 -1.382) 1.717 36.625 ( -0.389 -0.225 -1.519) 1.584 36.812 ( 5.493 3.172 3.527) 7.258 37.016 ( 17.070 9.856 0.382) 19.715 37.229 ( 38.015 21.948 -21.202) 48.749 ======================= Grid point 482 (148/189) ======================= q-point: ( 0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 12.663 7.311 22.012) 26.426 2.121 ( 1.590 0.918 26.618) 26.681 3.652 ( -5.288 -3.053 -18.735) 19.705 4.243 ( 20.615 11.902 27.694) 36.518 4.511 ( 9.045 5.222 -8.745) 13.622 5.586 ( -13.735 -7.930 0.706) 15.875 6.158 ( -2.813 -1.624 19.367) 19.638 6.339 ( 1.063 0.613 -5.034) 5.181 7.034 ( 7.631 4.406 -0.901) 8.857 7.108 ( 4.161 2.402 -13.790) 14.603 7.747 ( 8.761 5.058 4.191) 10.950 8.148 ( -1.397 -0.806 -6.545) 6.741 10.359 ( 0.263 0.152 4.268) 4.278 10.426 ( 6.887 3.976 4.796) 9.287 10.809 ( 15.267 8.814 -1.954) 17.737 11.343 ( 18.136 10.471 -8.641) 22.654 12.605 ( -25.909 -14.959 12.494) 32.422 13.411 ( -13.243 -7.646 -7.843) 17.186 18.351 ( -7.847 -4.531 3.119) 9.583 18.791 ( 1.897 1.095 4.402) 4.917 18.847 ( -4.112 -2.374 -5.103) 6.971 19.085 ( -0.394 -0.227 -4.776) 4.797 21.242 ( -4.779 -2.759 4.441) 7.083 21.356 ( -16.119 -9.306 6.120) 19.593 27.457 ( 1.120 0.647 0.676) 1.460 27.550 ( -1.006 -0.581 -1.228) 1.691 36.648 ( 3.179 1.835 -2.735) 4.578 37.004 ( 8.476 4.893 6.738) 11.882 37.486 ( 22.874 13.206 1.966) 26.486 37.899 ( 30.880 17.829 -34.696) 49.753 ======================= Grid point 483 (149/189) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 9.320 5.381 13.627) 17.364 2.486 ( 17.516 10.113 13.039) 24.065 3.541 ( 3.845 2.220 -15.435) 16.061 4.446 ( 0.796 0.459 -5.452) 5.529 4.817 ( 7.352 4.245 14.377) 16.696 5.292 ( -12.687 -7.325 5.220) 15.552 6.257 ( 0.223 0.129 20.494) 20.496 6.300 ( -2.526 -1.459 -2.951) 4.150 7.070 ( 0.471 0.272 -19.121) 19.128 7.245 ( 10.441 6.028 0.691) 12.076 7.979 ( 9.895 5.713 2.731) 11.748 8.098 ( -0.183 -0.105 -5.437) 5.441 10.436 ( 3.623 2.092 6.644) 7.851 10.660 ( 10.252 5.919 8.811) 14.758 11.094 ( 9.259 5.345 -5.375) 11.966 11.639 ( 10.930 6.310 -8.194) 15.048 12.109 ( -21.712 -12.536 16.384) 29.950 13.042 ( -13.985 -8.074 -7.934) 17.993 18.189 ( -7.207 -4.161 2.541) 8.702 18.748 ( -6.524 -3.767 0.807) 7.576 18.754 ( -1.496 -0.864 -4.268) 4.605 19.106 ( 3.473 2.005 -2.501) 4.726 21.093 ( -9.889 -5.710 5.394) 12.629 21.136 ( -5.748 -3.319 1.813) 6.880 27.492 ( 1.653 0.954 0.135) 1.913 27.528 ( -0.285 -0.164 -0.783) 0.849 36.729 ( 5.040 2.910 -3.475) 6.778 37.251 ( 8.869 5.120 9.201) 13.767 38.053 ( 24.700 14.261 3.629) 28.751 38.252 ( 17.046 9.842 -34.246) 39.500 ======================= Grid point 484 (150/189) ======================= q-point: ( 0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 16.164 9.333 -0.494) 18.672 2.929 ( 16.712 9.648 2.973) 19.525 3.629 ( 7.786 4.495 -8.472) 12.353 4.367 ( -4.468 -2.579 -8.401) 9.859 4.903 ( -4.696 -2.711 11.717) 12.911 5.104 ( -6.300 -3.638 9.928) 12.308 6.204 ( -4.495 -2.595 -0.469) 5.212 6.306 ( -5.333 -3.079 16.942) 18.027 6.937 ( -2.337 -1.349 -20.990) 21.163 7.486 ( 9.655 5.574 0.308) 11.153 8.071 ( -0.304 -0.176 -3.880) 3.896 8.242 ( 10.878 6.281 6.533) 14.158 10.586 ( 5.572 3.217 8.597) 10.738 10.953 ( 8.563 4.944 10.531) 14.445 11.094 ( -5.476 -3.162 -12.326) 13.853 11.633 ( -8.423 -4.863 11.031) 14.706 11.987 ( 5.712 3.298 0.039) 6.596 12.741 ( -8.719 -5.034 -5.470) 11.458 18.069 ( -4.000 -2.310 2.031) 5.046 18.560 ( -9.062 -5.232 -0.485) 10.475 18.738 ( 1.859 1.073 -3.447) 4.060 19.162 ( 1.717 0.991 -1.487) 2.478 20.950 ( -4.952 -2.859 3.742) 6.834 21.008 ( -5.579 -3.221 -0.298) 6.449 27.527 ( 1.303 0.752 -0.165) 1.514 27.531 ( 0.697 0.403 -0.155) 0.820 36.827 ( 4.933 2.848 -3.682) 6.783 37.488 ( 6.750 3.897 10.701) 13.238 38.349 ( 7.198 4.156 -29.660) 30.802 38.627 ( 23.162 13.373 4.038) 27.049 ======================= Grid point 485 (151/189) ======================= q-point: ( 0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 19.797 11.430 -14.070) 26.843 3.244 ( 10.397 6.003 -6.751) 13.774 3.737 ( 3.561 2.056 0.442) 4.135 4.140 ( -11.223 -6.480 -8.478) 15.486 4.803 ( -7.635 -4.408 11.043) 14.131 5.122 ( 1.943 1.122 9.359) 9.624 6.121 ( -3.072 -1.773 4.449) 5.690 6.229 ( -8.206 -4.738 17.144) 19.588 6.755 ( -3.377 -1.950 -19.873) 20.252 7.680 ( 7.705 4.449 -1.723) 9.063 8.030 ( -2.108 -1.217 -2.236) 3.305 8.517 ( 8.268 4.774 10.022) 13.842 10.637 ( -10.447 -6.032 -10.707) 16.130 10.905 ( 2.935 1.694 4.399) 5.553 11.023 ( -7.005 -4.044 10.045) 12.897 11.703 ( 7.848 4.531 14.870) 17.413 12.150 ( 8.725 5.037 -4.469) 11.022 12.548 ( -7.170 -4.140 -4.743) 9.542 18.039 ( 0.751 0.433 1.338) 1.594 18.357 ( -8.177 -4.721 0.115) 9.442 18.791 ( 4.000 2.309 -3.407) 5.739 19.161 ( -1.083 -0.625 -0.913) 1.549 20.884 ( -4.838 -2.793 -1.275) 5.730 20.898 ( -1.281 -0.739 2.263) 2.704 27.548 ( 0.581 0.335 -0.222) 0.706 27.555 ( 1.227 0.708 0.344) 1.457 36.903 ( 3.164 1.827 -3.398) 4.990 37.660 ( 2.812 1.623 11.149) 11.612 38.288 ( 0.685 0.395 -24.653) 24.666 39.141 ( 19.992 11.543 2.580) 23.229 ======================= Grid point 486 (152/189) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.275 ( -4.303 -2.484 -6.483) 8.168 3.373 ( 13.461 7.772 -25.948) 30.248 3.837 ( -8.973 -5.181 -2.754) 10.721 3.850 ( 5.976 3.450 1.694) 7.105 4.739 ( -2.333 -1.347 12.452) 12.740 5.189 ( -0.652 -0.376 3.576) 3.654 6.086 ( -4.961 -2.864 4.821) 7.487 6.149 ( -6.857 -3.959 18.228) 19.873 6.623 ( 1.054 0.609 -11.670) 11.733 7.824 ( 6.230 3.597 -3.277) 7.905 7.942 ( -4.672 -2.697 -1.685) 5.652 8.695 ( 2.083 1.203 10.254) 10.533 10.236 ( -11.929 -6.887 -16.882) 21.789 10.867 ( -9.996 -5.771 10.347) 15.501 11.137 ( 8.708 5.028 14.333) 17.509 11.953 ( 5.197 3.001 8.112) 10.091 12.327 ( -9.378 -5.415 -6.369) 12.564 12.358 ( 12.137 7.007 -2.791) 14.290 18.115 ( 5.270 3.042 0.186) 6.088 18.204 ( -5.248 -3.030 1.483) 6.238 18.864 ( 3.815 2.203 -4.508) 6.303 19.118 ( -1.999 -1.154 0.148) 2.314 20.777 ( -3.883 -2.242 -1.012) 4.597 20.906 ( 0.973 0.562 1.171) 1.622 27.553 ( 0.019 0.011 -0.133) 0.135 27.583 ( 0.840 0.485 0.408) 1.053 36.928 ( 0.412 0.238 -2.764) 2.804 37.729 ( -1.945 -1.123 10.616) 10.851 38.126 ( -4.062 -2.345 -20.090) 20.630 39.564 ( 16.454 9.500 -0.867) 19.019 ======================= Grid point 493 (153/189) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -0.000 -3.916 29.774) 30.031 2.406 ( -0.000 20.744 30.775) 37.114 3.546 ( -0.000 22.286 44.445) 49.719 3.906 ( 0.000 -7.879 -18.977) 20.547 4.227 ( 0.000 -0.059 -16.441) 16.441 5.963 ( 0.000 -7.248 -13.315) 15.160 6.013 ( -0.000 -12.789 11.130) 16.954 6.443 ( 0.000 8.531 2.772) 8.970 6.979 ( 0.000 13.200 -4.308) 13.885 6.988 ( 0.000 5.497 -6.489) 8.505 7.484 ( -0.000 -12.096 11.005) 16.353 8.179 ( 0.000 -3.404 -7.516) 8.251 10.316 ( 0.000 4.955 6.204) 7.940 10.410 ( 0.000 5.062 -0.059) 5.063 10.631 ( 0.000 16.281 -4.515) 16.895 10.756 ( 0.000 13.298 -2.838) 13.598 13.144 ( -0.000 -12.187 5.253) 13.271 13.658 ( -0.000 -8.649 -6.871) 11.046 18.568 ( -0.000 -2.428 3.761) 4.477 18.649 ( -0.000 -1.306 5.926) 6.068 18.930 ( -0.000 -7.623 -5.963) 9.678 19.121 ( 0.000 2.646 -3.735) 4.577 21.333 ( -0.000 -3.485 6.754) 7.600 21.757 ( -0.000 -20.778 0.057) 20.778 27.446 ( -0.000 -0.306 1.331) 1.366 27.574 ( 0.000 -0.860 -1.474) 1.707 36.594 ( -0.000 -1.701 1.133) 2.044 36.755 ( 0.000 4.274 -2.914) 5.173 36.880 ( 0.000 11.462 1.829) 11.607 37.356 ( 0.000 48.006 -14.510) 50.151 ======================= Grid point 494 (154/189) ======================= q-point: ( 0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 6.996 5.478 23.815) 25.419 2.591 ( -16.015 19.986 29.158) 38.809 3.623 ( -8.200 -4.591 -20.656) 22.693 4.177 ( 14.446 6.774 13.600) 20.965 4.279 ( 17.687 7.876 3.645) 19.701 5.719 ( -10.139 -6.472 -3.303) 12.474 6.036 ( 6.968 -12.590 6.741) 15.890 6.461 ( -5.552 3.371 6.493) 9.184 7.007 ( 2.406 4.300 -8.868) 10.145 7.121 ( -0.454 19.088 -7.256) 20.426 7.560 ( 11.808 -6.773 9.459) 16.576 8.100 ( -0.008 -3.295 -7.369) 8.072 10.374 ( -0.988 5.290 7.209) 8.996 10.583 ( -1.551 13.317 2.223) 13.590 10.666 ( 6.817 11.167 -2.686) 13.356 11.099 ( 16.987 12.166 -7.346) 22.149 12.892 ( -16.513 -14.843 8.226) 23.678 13.449 ( -7.185 -12.155 -8.192) 16.325 18.473 ( -7.732 -2.602 3.506) 8.880 18.721 ( 3.625 -5.037 3.167) 6.967 18.825 ( 1.734 -5.092 -3.641) 6.496 19.097 ( -2.900 1.435 -3.970) 5.121 21.298 ( -2.916 -5.074 5.224) 7.845 21.472 ( -9.048 -17.345 3.460) 19.867 27.455 ( 0.381 0.510 1.065) 1.241 27.551 ( -0.613 -0.730 -1.393) 1.688 36.645 ( 1.602 3.725 1.283) 4.253 36.860 ( 10.355 2.473 -2.739) 10.993 37.184 ( 17.860 12.634 2.685) 22.041 37.797 ( 7.482 42.796 -22.620) 48.981 ======================= Grid point 495 (155/189) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 8.928 9.607 16.448) 21.037 2.692 ( -9.861 21.607 21.488) 32.028 3.410 ( 0.494 -1.099 -17.947) 17.987 4.275 ( 10.963 -6.352 -14.163) 19.003 4.822 ( 10.340 9.394 21.462) 25.608 5.463 ( -11.875 -5.912 2.604) 13.518 6.073 ( 8.355 -13.400 4.239) 16.350 6.418 ( -4.152 -2.611 5.627) 7.464 7.053 ( -0.338 8.784 -8.019) 11.899 7.278 ( 2.119 18.218 -4.273) 18.832 7.783 ( 13.905 -1.763 4.120) 14.609 8.048 ( 1.253 -1.356 -6.546) 6.802 10.478 ( 0.903 6.321 8.229) 10.416 10.692 ( 1.507 12.387 4.434) 13.243 10.964 ( 11.399 8.856 -1.858) 14.553 11.428 ( 14.749 7.638 -8.883) 18.836 12.448 ( -22.555 -14.533 13.259) 29.929 13.110 ( -10.935 -13.079 -9.081) 19.316 18.319 ( -9.061 -1.992 2.876) 9.713 18.648 ( 0.542 -9.051 -3.516) 9.725 18.866 ( -0.438 0.346 2.051) 2.125 19.038 ( 0.357 -0.469 -3.626) 3.673 21.196 ( -5.897 -7.294 3.132) 9.888 21.199 ( -7.310 -9.256 3.727) 12.369 27.481 ( 1.062 1.123 0.571) 1.648 27.531 ( -0.428 0.072 -1.065) 1.150 36.722 ( 0.603 7.894 -0.404) 7.928 37.097 ( 15.277 -0.055 0.828) 15.300 37.697 ( 24.075 11.897 2.485) 26.969 38.155 ( 6.269 30.655 -24.019) 39.445 ======================= Grid point 496 (156/189) ======================= q-point: ( 0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.629 ( 4.280 9.809 8.222) 13.496 2.937 ( 2.856 21.011 6.002) 22.038 3.449 ( 10.740 2.561 -7.520) 13.359 4.298 ( 4.888 -2.976 -13.011) 14.214 5.009 ( -2.628 -1.480 13.974) 14.295 5.252 ( -9.086 -4.427 8.629) 13.289 6.081 ( 6.741 -13.183 -0.749) 14.825 6.315 ( -1.309 -11.812 0.832) 11.913 7.039 ( -9.765 12.950 -6.723) 17.558 7.507 ( 4.144 16.131 0.419) 16.660 7.992 ( 6.122 -1.794 -4.198) 7.637 8.100 ( 11.493 2.685 3.460) 12.299 10.609 ( 2.257 5.624 8.611) 10.529 10.924 ( 7.675 8.179 6.849) 13.142 11.100 ( -1.659 2.727 -5.835) 6.651 11.650 ( 8.945 3.727 -7.251) 12.103 12.063 ( -14.540 -9.125 15.368) 23.041 12.776 ( -7.798 -10.169 -7.545) 14.871 18.174 ( -7.688 -0.248 2.470) 8.079 18.556 ( 0.019 -8.248 -2.538) 8.630 18.792 ( -6.630 2.458 -1.463) 7.220 19.080 ( 5.446 -2.780 -1.193) 6.230 21.017 ( -5.373 -6.196 3.575) 8.946 21.063 ( -5.307 -4.795 0.019) 7.152 27.515 ( 1.155 1.090 0.297) 1.616 27.530 ( 0.237 1.124 -0.620) 1.306 36.816 ( 1.031 8.649 -1.472) 8.834 37.363 ( 14.494 -1.454 3.556) 14.995 38.155 ( 11.637 13.009 -10.990) 20.626 38.437 ( 14.251 17.542 -7.575) 23.837 ======================= Grid point 497 (157/189) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.832 ( 8.029 7.687 -3.609) 11.686 3.192 ( 6.189 13.710 -6.273) 16.298 3.683 ( 9.344 8.104 2.858) 12.695 4.198 ( -6.500 -2.988 -11.302) 13.376 4.933 ( -7.371 -6.295 10.504) 14.293 5.189 ( -1.683 -0.008 10.805) 10.935 6.053 ( 4.552 -9.206 -2.600) 10.593 6.181 ( 3.580 -17.776 1.893) 18.232 6.913 ( -14.568 11.983 -5.488) 19.645 7.703 ( 1.111 14.025 -0.161) 14.070 7.997 ( 1.637 -2.454 -4.334) 5.243 8.413 ( 13.810 3.033 8.842) 16.676 10.711 ( -5.458 -0.819 -1.628) 5.754 10.887 ( -2.873 -3.957 -3.257) 5.875 11.144 ( -1.579 2.665 10.270) 10.727 11.744 ( 2.334 4.127 7.726) 9.065 12.016 ( 6.219 0.240 1.780) 6.473 12.564 ( -4.190 -7.108 -5.831) 10.103 18.092 ( -4.097 2.094 1.902) 4.979 18.434 ( -5.165 -5.305 -0.668) 7.434 18.746 ( 0.228 2.020 -2.724) 3.399 19.115 ( 3.042 -4.004 -1.017) 5.131 20.925 ( -2.274 -2.846 2.444) 4.387 20.929 ( -4.827 -3.532 -1.302) 6.122 27.545 ( 0.469 1.169 -0.262) 1.286 27.549 ( 0.970 1.353 0.306) 1.693 36.902 ( 0.401 7.623 -1.745) 7.831 37.584 ( 10.908 -3.184 4.533) 12.234 38.244 ( -2.778 12.067 -17.250) 21.234 38.895 ( 21.486 9.184 1.914) 23.444 ======================= Grid point 498 (158/189) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 10.062 0.383 -12.713) 16.218 3.344 ( 3.062 8.748 -9.271) 13.110 3.894 ( -4.933 2.178 1.072) 5.498 3.944 ( -4.295 5.556 -4.185) 8.175 4.806 ( -4.236 -7.152 9.758) 12.819 5.240 ( -1.332 1.489 5.796) 6.131 5.996 ( 1.908 -13.382 -0.120) 13.518 6.192 ( 10.001 -7.531 5.626) 13.725 6.753 ( -13.815 11.483 -2.162) 18.094 7.828 ( -0.069 10.830 -1.537) 10.939 7.954 ( -1.182 -3.872 -2.175) 4.596 8.671 ( 7.778 0.334 9.184) 12.040 10.327 ( -16.550 -6.111 -16.382) 24.076 10.987 ( 1.924 -6.709 12.930) 14.693 11.121 ( -1.541 2.232 11.305) 11.626 11.936 ( 6.249 4.746 6.168) 9.981 12.190 ( 10.624 2.851 -1.703) 11.131 12.380 ( -5.843 -5.423 -6.112) 10.045 18.092 ( 0.117 2.687 0.375) 2.716 18.304 ( -5.834 -0.154 1.516) 6.030 18.783 ( 3.757 0.315 -3.654) 5.250 19.101 ( 0.948 -4.156 -0.531) 4.296 20.817 ( -4.025 -2.252 -1.297) 4.791 20.902 ( 0.227 -0.769 1.405) 1.618 27.553 ( -0.112 0.455 -0.315) 0.565 27.584 ( 0.787 1.645 0.557) 1.906 36.953 ( -1.420 5.637 -1.428) 5.986 37.710 ( 5.816 -5.065 3.409) 8.432 38.168 ( -8.144 8.815 -12.569) 17.378 39.325 ( 19.224 5.594 -0.683) 20.033 ======================= Grid point 506 (159/189) ======================= q-point: ( 0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -0.000 10.521 20.645) 23.172 3.109 ( -0.000 18.025 26.170) 31.777 3.585 ( 0.000 -1.306 -20.116) 20.159 3.874 ( 0.000 -13.535 -22.418) 26.187 4.447 ( 0.000 24.506 32.196) 40.461 5.723 ( 0.000 -4.612 -9.703) 10.744 5.907 ( -0.000 -12.489 15.002) 19.520 6.567 ( -0.000 1.154 5.144) 5.272 6.903 ( 0.000 -4.458 -12.637) 13.400 7.330 ( 0.000 25.117 -8.698) 26.581 7.476 ( -0.000 -1.247 15.708) 15.757 8.027 ( 0.000 -2.211 -6.613) 6.972 10.548 ( 0.000 8.437 -0.309) 8.443 10.592 ( 0.000 11.936 11.351) 16.472 10.853 ( 0.000 9.533 -4.544) 10.561 10.997 ( 0.000 15.958 -5.937) 17.026 12.926 ( -0.000 -14.836 5.740) 15.908 13.322 ( -0.000 -16.051 -9.516) 18.660 18.561 ( -0.000 -1.800 1.834) 2.570 18.653 ( -0.000 -5.044 6.691) 8.379 18.686 ( -0.000 -9.428 -5.746) 11.041 19.126 ( 0.000 1.717 -3.162) 3.598 21.290 ( -0.000 -6.965 4.477) 8.280 21.381 ( -0.000 -17.931 3.315) 18.235 27.464 ( 0.000 0.778 0.979) 1.251 27.541 ( 0.000 -0.643 -1.347) 1.493 36.629 ( 0.000 2.862 0.787) 2.968 36.885 ( 0.000 11.087 0.496) 11.098 37.176 ( 0.000 15.492 2.485) 15.690 38.045 ( 0.000 39.900 -22.061) 45.593 ======================= Grid point 507 (160/189) ======================= q-point: ( 0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 5.921 13.038 15.721) 21.265 3.267 ( -13.561 17.778 23.568) 32.487 3.342 ( -7.586 -1.924 -20.254) 21.714 3.832 ( 17.531 -9.744 -20.054) 28.362 4.912 ( 6.890 16.489 22.650) 28.851 5.572 ( -6.359 -5.457 -3.880) 9.234 5.886 ( 2.481 -12.766 11.650) 17.460 6.477 ( -8.393 -4.896 -2.330) 9.992 6.972 ( 15.232 1.416 -2.708) 15.536 7.438 ( -4.390 15.074 -4.526) 16.340 7.658 ( 7.358 6.571 6.064) 11.580 8.004 ( -0.365 4.533 -5.230) 6.931 10.601 ( -1.428 7.693 6.018) 9.871 10.836 ( -2.332 9.423 -4.467) 10.685 10.890 ( 8.220 10.546 8.700) 15.953 11.244 ( 10.765 11.693 -7.480) 17.566 12.687 ( -13.862 -13.837 7.805) 21.084 13.047 ( -5.392 -17.327 -11.055) 21.249 18.469 ( -8.265 -1.549 2.999) 8.928 18.523 ( 0.355 -9.634 -5.066) 10.891 18.762 ( 8.402 -4.707 4.198) 10.506 19.086 ( -4.332 1.336 -3.002) 5.438 21.201 ( -3.889 -13.257 3.634) 14.285 21.212 ( -2.701 -7.583 2.396) 8.399 27.483 ( 0.542 1.267 0.643) 1.520 27.530 ( -0.061 0.072 -1.109) 1.113 36.756 ( 8.808 3.627 1.543) 9.650 36.962 ( -2.495 11.801 -1.038) 12.107 37.518 ( 16.566 15.144 5.753) 23.170 38.293 ( 0.634 31.536 -21.795) 38.340 ======================= Grid point 508 (161/189) ======================= q-point: ( 0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 3.925 11.948 10.637) 16.472 3.166 ( -1.666 1.995 -14.349) 14.582 3.386 ( -3.047 17.021 17.456) 24.571 3.981 ( 17.386 -2.370 -17.074) 24.483 5.141 ( -3.482 3.466 13.428) 14.299 5.383 ( -7.292 -5.907 1.746) 9.546 5.857 ( 3.274 -13.276 7.429) 15.562 6.231 ( -6.574 -10.163 -9.654) 15.482 7.285 ( 6.027 10.442 5.645) 13.313 7.483 ( 3.092 5.781 -3.781) 7.569 7.890 ( 11.497 5.041 2.939) 12.893 8.032 ( -2.690 11.233 -5.181) 12.659 10.685 ( 0.174 2.168 8.583) 8.854 10.919 ( 3.576 8.210 -3.116) 9.481 11.144 ( 3.665 7.908 6.584) 10.923 11.465 ( 9.493 6.751 -9.382) 14.957 12.337 ( -17.031 -10.001 12.267) 23.250 12.718 ( -5.741 -14.724 -11.104) 19.314 18.325 ( -7.794 -1.018 2.621) 8.286 18.438 ( 1.610 -6.848 -4.267) 8.228 18.865 ( 4.783 -4.000 3.739) 7.270 18.989 ( -4.400 0.079 -3.501) 5.623 21.042 ( -3.861 -8.521 3.264) 9.908 21.089 ( -4.047 -6.272 0.064) 7.465 27.511 ( 0.880 1.295 0.469) 1.634 27.534 ( 0.390 1.260 -0.844) 1.566 36.937 ( 0.161 10.291 3.862) 10.992 37.088 ( 11.655 3.356 -4.683) 13.001 38.020 ( 19.289 12.733 8.499) 24.626 38.450 ( -0.175 22.518 -18.917) 29.410 ======================= Grid point 509 (162/189) ======================= q-point: ( 0.67 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( -1.923 9.600 3.748) 10.484 3.156 ( 4.942 2.399 -8.744) 10.326 3.692 ( 6.937 17.679 12.578) 22.779 4.133 ( 6.785 2.920 -14.924) 16.652 5.069 ( -8.631 -4.012 9.848) 13.696 5.256 ( -2.585 -4.553 4.727) 7.053 5.822 ( 4.780 -12.324 2.671) 13.486 5.981 ( -2.150 -12.971 -9.502) 16.222 7.290 ( -14.795 12.178 1.605) 19.229 7.671 ( 12.880 -3.170 -0.773) 13.286 8.053 ( -6.457 15.883 -5.316) 17.950 8.219 ( 16.901 3.008 6.717) 18.434 10.752 ( 2.106 -3.146 10.059) 10.748 10.905 ( -7.819 -2.559 -12.533) 14.992 11.275 ( -1.355 8.362 11.079) 13.947 11.634 ( 11.208 2.674 -7.760) 13.892 12.106 ( -9.682 -2.169 13.459) 16.721 12.483 ( -1.126 -9.936 -9.136) 13.544 18.222 ( -6.447 2.231 2.145) 7.151 18.390 ( 1.962 -5.631 -2.240) 6.370 18.822 ( -6.634 1.746 -0.550) 6.882 18.979 ( 5.772 -5.913 -0.785) 8.300 20.940 ( -2.230 -4.744 2.445) 5.785 20.961 ( -4.149 -4.267 -1.332) 6.098 27.545 ( 1.199 1.461 0.638) 1.995 27.552 ( 0.338 1.687 -0.728) 1.868 37.025 ( -3.390 11.830 1.340) 12.378 37.324 ( 15.088 -1.433 -2.627) 15.382 38.390 ( -0.839 15.968 -2.197) 16.140 38.634 ( 16.496 8.614 -4.160) 19.069 ======================= Grid point 510 (163/189) ======================= q-point: ( 0.75 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( -2.443 6.415 -3.831) 7.861 3.267 ( 8.150 2.731 -4.433) 9.671 4.020 ( -9.755 -1.464 -6.919) 12.048 4.048 ( 5.416 16.396 4.627) 17.876 4.897 ( -10.335 -4.641 4.631) 12.239 5.292 ( 2.077 0.472 5.798) 6.176 5.815 ( 2.205 -11.663 -4.235) 12.603 5.861 ( 14.126 -10.751 -0.665) 17.765 7.140 ( -15.957 10.721 2.694) 19.412 7.796 ( 8.018 -6.949 -0.645) 10.630 8.060 ( -7.504 15.157 -4.228) 17.434 8.542 ( 12.718 0.321 7.577) 14.808 10.496 ( -18.713 -4.429 -15.302) 24.576 10.868 ( 7.587 -9.860 13.534) 18.383 11.319 ( -7.906 4.178 10.383) 13.702 11.821 ( 11.695 1.058 -5.732) 13.068 12.120 ( 1.714 3.673 8.349) 9.281 12.345 ( -0.950 -6.120 -7.247) 9.533 18.164 ( -4.507 3.368 -0.043) 5.626 18.367 ( 0.017 -1.813 1.850) 2.591 18.748 ( -2.297 1.228 -2.704) 3.754 19.001 ( 4.124 -6.070 -0.440) 7.352 20.854 ( -3.680 -2.266 -1.462) 4.562 20.896 ( -0.258 -2.241 1.515) 2.717 27.564 ( -0.318 1.317 -0.595) 1.479 27.587 ( 1.253 1.590 0.730) 2.152 37.074 ( -4.022 9.675 0.534) 10.491 37.515 ( 10.973 -3.263 -2.323) 11.681 38.398 ( -9.767 13.905 -5.114) 17.745 39.022 ( 20.176 2.440 0.419) 20.327 ======================= Grid point 519 (164/189) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 0.000 12.751 11.594) 17.234 3.284 ( -0.000 -17.863 -20.548) 27.227 3.464 ( 0.000 9.087 -15.025) 17.559 3.661 ( -0.000 10.870 18.901) 21.804 5.155 ( 0.000 18.587 16.500) 24.854 5.525 ( -0.000 -7.355 -7.171) 10.273 5.831 ( -0.000 -11.479 15.886) 19.599 6.643 ( -0.000 -7.914 -7.867) 11.159 6.648 ( -0.000 2.276 3.664) 4.314 7.551 ( 0.000 6.177 -11.826) 13.342 7.701 ( -0.000 6.783 11.732) 13.552 8.112 ( 0.000 17.538 -3.408) 17.866 10.686 ( 0.000 2.953 1.074) 3.142 10.914 ( 0.000 2.054 -2.309) 3.091 10.958 ( 0.000 11.673 9.351) 14.956 11.277 ( 0.000 18.274 -4.070) 18.722 12.713 ( -0.000 -12.041 5.207) 13.119 12.840 ( -0.000 -19.300 -13.090) 23.320 18.394 ( -0.000 -9.388 -6.167) 11.233 18.597 ( -0.000 -7.407 5.987) 9.524 18.601 ( -0.000 0.339 1.935) 1.964 19.127 ( 0.000 1.287 -1.853) 2.256 21.123 ( -0.000 -12.028 3.383) 12.495 21.167 ( -0.000 -7.993 1.242) 8.089 27.495 ( 0.000 1.553 0.395) 1.603 27.525 ( 0.000 0.276 -0.890) 0.932 36.700 ( 0.000 4.517 -1.125) 4.655 37.197 ( 0.000 13.974 9.344) 16.810 37.515 ( 0.000 15.769 0.821) 15.790 38.479 ( 0.000 27.689 -18.945) 33.550 ======================= Grid point 520 (165/189) ======================= q-point: ( 0.58 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 5.990 11.548 8.323) 15.444 3.020 ( 1.139 -9.828 -14.740) 17.753 3.623 ( 12.439 8.340 -12.892) 19.760 3.775 ( -6.717 9.972 17.009) 20.829 5.330 ( -4.266 6.013 6.223) 9.648 5.379 ( -2.450 -6.897 -6.384) 9.712 5.804 ( -2.025 -8.351 15.590) 17.802 6.293 ( -15.329 -5.933 -6.012) 17.502 6.996 ( 22.487 -1.104 1.824) 22.587 7.598 ( 4.974 6.976 -5.840) 10.369 7.796 ( -1.143 3.933 6.932) 8.052 8.252 ( -3.692 20.006 -4.624) 20.862 10.696 ( 1.070 -7.350 7.830) 10.792 10.935 ( 0.826 7.752 -6.694) 10.276 11.163 ( 6.141 8.045 5.878) 11.704 11.457 ( 1.124 15.439 -2.729) 15.719 12.508 ( -8.238 -13.779 -0.461) 16.060 12.586 ( -4.305 -12.541 -6.523) 14.777 18.286 ( 1.438 -8.201 -4.173) 9.313 18.474 ( -5.969 -1.549 1.842) 6.436 18.708 ( 7.092 -4.306 3.575) 9.034 19.088 ( -4.844 1.197 -1.206) 5.133 21.019 ( -1.653 -8.917 2.994) 9.551 21.076 ( -2.032 -6.817 -0.323) 7.121 27.515 ( 0.378 1.394 0.264) 1.468 27.532 ( 0.640 1.173 -0.703) 1.510 36.824 ( 9.382 3.907 -1.205) 10.235 37.265 ( -9.466 13.912 6.156) 17.917 37.857 ( 17.327 11.828 5.183) 21.610 38.620 ( -2.435 23.030 -14.806) 27.486 ======================= Grid point 521 (166/189) ======================= q-point: ( 0.67 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( 7.239 -3.785 -5.250) 9.710 3.043 ( 1.541 9.206 4.005) 10.157 3.860 ( 5.798 8.969 7.899) 13.284 3.923 ( 9.244 11.195 -5.151) 15.405 5.175 ( -3.575 -11.156 -0.203) 11.716 5.297 ( -7.762 2.263 -2.979) 8.617 5.756 ( -3.272 -6.990 12.035) 14.297 5.951 ( -12.398 -6.273 -7.593) 15.834 7.321 ( 18.695 -6.411 -1.329) 19.808 7.650 ( -11.122 9.941 1.596) 15.003 7.973 ( 17.129 2.192 4.243) 17.782 8.322 ( -6.643 17.931 -5.769) 19.973 10.680 ( 3.365 -13.266 12.217) 18.346 10.951 ( -3.979 4.076 -11.489) 12.824 11.379 ( 8.537 5.000 3.157) 10.385 11.546 ( -3.816 10.804 -2.043) 11.639 12.283 ( -3.018 -8.911 0.571) 9.425 12.363 ( -6.948 -6.014 -3.013) 9.670 18.249 ( 3.835 -5.748 -0.699) 6.945 18.375 ( -5.750 1.144 -0.887) 5.930 18.794 ( 6.615 -5.568 2.731) 9.067 18.982 ( -7.844 1.384 -1.075) 8.037 20.932 ( -1.454 -5.842 2.342) 6.460 20.971 ( -2.854 -4.478 -1.408) 5.494 27.542 ( 1.066 1.125 0.573) 1.652 27.557 ( 0.721 1.892 -0.803) 2.179 37.050 ( 13.341 1.990 -1.310) 13.552 37.271 ( -7.850 12.678 2.979) 15.206 38.305 ( 19.657 5.736 6.956) 21.626 38.691 ( -5.893 19.283 -9.635) 22.347 ======================= Grid point 522 (167/189) ======================= q-point: ( 0.75 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( 10.529 -1.561 -1.128) 10.703 3.088 ( -6.616 8.338 1.128) 10.703 4.093 ( -0.904 7.487 -13.288) 15.279 4.093 ( 6.936 2.961 13.288) 15.279 5.137 ( -2.013 0.746 -8.879) 9.135 5.137 ( 1.652 -1.371 8.879) 9.135 5.691 ( -5.061 -5.657 -7.833) 10.908 5.691 ( -2.369 -7.211 7.833) 10.908 7.512 ( 12.636 -7.969 -2.841) 15.207 7.512 ( -13.219 6.959 2.841) 15.207 8.327 ( -7.810 14.604 -5.252) 17.374 8.327 ( 16.553 0.538 5.252) 17.374 10.694 ( -16.592 -2.070 -14.667) 22.242 10.694 ( 6.503 -15.404 14.667) 22.242 11.567 ( 9.635 -0.458 -10.898) 14.553 11.567 ( -5.214 8.115 10.898) 14.553 12.229 ( 1.613 -2.741 -10.782) 11.241 12.229 ( -3.180 0.027 10.782) 11.241 18.289 ( -1.928 0.686 -3.759) 4.280 18.289 ( 1.558 -1.327 3.759) 4.280 18.854 ( -2.617 -1.018 -3.073) 4.163 18.854 ( 0.427 -2.775 3.073) 4.163 20.881 ( -2.875 -2.034 -1.534) 3.841 20.881 ( -0.324 -3.507 1.534) 3.841 27.579 ( 0.060 1.844 -0.761) 1.995 27.579 ( 1.567 0.973 0.761) 1.995 37.277 ( 9.716 1.165 -3.405) 10.361 37.277 ( -3.849 8.997 3.405) 10.361 38.700 ( 0.414 11.056 -7.558) 13.399 38.700 ( 9.368 5.887 7.558) 13.399 ======================= Grid point 533 (168/189) ======================= q-point: ( 0.58 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.829 ( -0.000 -7.764 -9.735) 12.452 2.892 ( 0.000 10.505 4.738) 11.525 3.601 ( 0.000 13.960 -6.145) 15.252 3.960 ( -0.000 0.645 14.250) 14.265 5.265 ( -0.000 -10.462 -7.529) 12.889 5.406 ( 0.000 0.078 -5.048) 5.048 5.909 ( -0.000 2.613 16.668) 16.872 6.480 ( -0.000 -5.803 3.788) 6.930 6.679 ( 0.000 -1.005 -4.340) 4.455 7.522 ( 0.000 3.842 -4.281) 5.753 7.930 ( 0.000 5.456 5.690) 7.883 8.451 ( 0.000 18.376 -5.818) 19.275 10.615 ( -0.000 -15.287 10.642) 18.626 10.971 ( 0.000 9.404 -8.669) 12.790 11.206 ( 0.000 7.466 -0.228) 7.470 11.614 ( 0.000 15.486 2.084) 15.625 12.336 ( -0.000 -13.739 -14.916) 20.280 12.568 ( -0.000 -8.747 5.432) 10.296 18.174 ( -0.000 -6.265 -4.531) 7.731 18.492 ( -0.000 -8.360 3.680) 9.134 18.651 ( 0.000 2.572 1.796) 3.137 19.138 ( 0.000 0.711 0.038) 0.712 20.963 ( -0.000 -7.780 2.656) 8.221 21.025 ( -0.000 -5.901 -1.009) 5.987 27.530 ( 0.000 1.796 -0.144) 1.802 27.531 ( 0.000 0.833 -0.301) 0.885 36.783 ( 0.000 4.824 -0.727) 4.879 37.589 ( -0.000 10.311 16.428) 19.396 37.769 ( 0.000 10.939 -4.735) 11.920 38.802 ( 0.000 21.953 -9.564) 23.946 ======================= Grid point 534 (169/189) ======================= q-point: ( 0.67 0.58 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 4.401 -0.283 -0.656) 4.459 3.092 ( 6.636 9.930 5.624) 13.202 3.760 ( 7.215 12.298 -6.007) 15.472 4.003 ( -0.397 -3.272 12.125) 12.565 5.089 ( -3.105 -10.963 -7.816) 13.817 5.345 ( -0.691 -1.948 -7.648) 7.922 5.940 ( -8.955 4.111 10.459) 14.369 6.172 ( -19.482 -3.548 1.018) 19.829 6.909 ( 20.093 -6.392 -2.955) 21.291 7.693 ( 13.339 6.257 0.593) 14.745 7.936 ( -5.898 2.620 3.368) 7.280 8.544 ( -4.072 14.844 -7.225) 17.004 10.533 ( 2.661 -18.594 13.863) 23.345 11.003 ( -2.190 8.495 -11.184) 14.214 11.278 ( 4.462 1.044 -5.164) 6.904 11.750 ( -2.394 12.383 3.143) 12.998 12.154 ( -0.460 -4.580 -12.120) 12.964 12.464 ( -5.507 -7.292 6.354) 11.130 18.128 ( 2.839 -3.721 -2.518) 5.315 18.421 ( -0.919 -5.354 0.761) 5.485 18.703 ( 1.727 0.787 2.628) 3.241 19.103 ( -4.730 0.339 0.519) 4.771 20.901 ( -0.537 -6.006 2.144) 6.400 20.957 ( -1.299 -3.767 -1.540) 4.272 27.540 ( 0.431 0.830 0.262) 0.971 27.557 ( 0.924 1.796 -0.595) 2.106 36.892 ( 7.323 3.662 -0.368) 8.196 37.576 ( -11.247 9.440 5.631) 15.726 38.067 ( 16.743 4.240 4.648) 17.886 38.942 ( -3.911 20.567 -4.474) 21.408 ======================= Grid point 548 (170/189) ======================= q-point: (-0.33 -0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 0.000 10.465 10.608) 14.901 3.138 ( 0.000 8.359 5.991) 10.284 3.776 ( 0.000 7.343 -3.777) 8.257 3.997 ( -0.000 -9.056 8.893) 12.692 4.976 ( -0.000 -8.662 -9.491) 12.849 5.275 ( 0.000 -1.949 -8.605) 8.823 6.111 ( -0.000 2.947 4.779) 5.614 6.488 ( 0.000 -7.072 -14.246) 15.905 6.491 ( -0.000 -2.292 12.441) 12.651 7.640 ( 0.000 7.479 2.681) 7.945 8.008 ( -0.000 -0.921 0.599) 1.099 8.666 ( 0.000 10.726 -8.295) 13.559 10.398 ( -0.000 -19.326 15.710) 24.906 11.065 ( 0.000 11.174 -12.210) 16.551 11.177 ( -0.000 -6.563 -8.320) 10.597 11.871 ( 0.000 9.620 -3.828) 10.354 12.127 ( 0.000 6.069 -4.081) 7.314 12.459 ( -0.000 -9.162 6.178) 11.050 18.069 ( 0.000 -0.331 -2.245) 2.270 18.351 ( -0.000 -8.035 0.774) 8.073 18.741 ( 0.000 3.981 2.710) 4.816 19.145 ( -0.000 -0.812 0.912) 1.221 20.859 ( -0.000 -5.468 1.803) 5.757 20.929 ( -0.000 -2.140 -1.598) 2.671 27.545 ( 0.000 0.603 0.087) 0.609 27.561 ( 0.000 1.598 -0.431) 1.655 36.868 ( 0.000 3.377 0.915) 3.499 37.831 ( 0.000 3.611 -9.707) 10.356 37.924 ( -0.000 3.098 19.943) 20.182 39.167 ( 0.000 20.559 -1.245) 20.597 ======================= Grid point 641 (171/189) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -0.000 0.000 32.516) 32.516 2.222 ( -0.000 0.000 32.516) 32.516 3.548 ( -0.000 0.000 48.370) 48.370 4.004 ( 0.000 -0.000 -19.544) 19.544 4.004 ( 0.000 -0.000 -19.544) 19.544 5.947 ( 0.000 -0.000 -24.569) 24.569 6.271 ( -0.000 0.000 9.338) 9.338 6.271 ( -0.000 0.000 9.338) 9.338 6.880 ( 0.000 -0.000 -4.782) 4.782 6.880 ( 0.000 -0.000 -4.782) 4.782 7.647 ( -0.000 0.000 7.140) 7.140 8.172 ( 0.000 -0.000 -7.838) 7.838 10.317 ( -0.000 0.000 2.559) 2.559 10.317 ( 0.000 0.000 2.559) 2.559 10.526 ( -0.000 -0.000 -1.348) 1.348 10.526 ( 0.000 0.000 -1.348) 1.348 13.306 ( -0.000 0.000 4.663) 4.663 13.711 ( 0.000 -0.000 -6.499) 6.499 18.655 ( -0.000 0.000 5.272) 5.272 18.655 ( -0.000 0.000 5.272) 5.272 19.024 ( 0.000 -0.000 -5.053) 5.053 19.024 ( 0.000 -0.000 -5.053) 5.053 21.412 ( -0.000 0.000 8.099) 8.099 21.959 ( 0.000 -0.000 -7.187) 7.187 27.461 ( -0.000 0.000 1.494) 1.494 27.575 ( 0.000 -0.000 -1.636) 1.636 36.706 ( 0.000 -0.000 0.349) 0.349 36.706 ( 0.000 0.000 0.349) 0.349 36.739 ( 0.000 -0.000 -0.470) 0.470 36.739 ( 0.000 0.000 -0.470) 0.470 ======================= Grid point 642 (172/189) ======================= q-point: ( 0.42 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( -2.839 -1.639 30.152) 30.330 2.511 ( -2.220 -1.282 32.569) 32.670 3.621 ( -11.353 -6.554 -22.681) 26.197 4.081 ( 20.530 11.853 37.175) 44.090 4.140 ( 11.484 6.630 -15.896) 20.701 5.755 ( -5.111 -2.951 -17.549) 18.515 6.277 ( 0.396 0.229 5.626) 5.644 6.375 ( -0.358 -0.207 11.791) 11.798 6.881 ( 3.736 2.157 -3.578) 5.605 6.898 ( 2.566 1.482 -10.327) 10.744 7.679 ( 1.490 0.860 6.933) 7.143 8.104 ( -1.724 -0.996 -8.066) 8.308 10.358 ( 3.864 2.231 5.682) 7.224 10.413 ( -2.170 -1.253 1.272) 2.811 10.488 ( 10.823 6.248 0.303) 12.501 10.823 ( 17.916 10.344 -6.396) 21.653 13.175 ( -13.773 -7.952 6.884) 17.329 13.580 ( -8.132 -4.695 -7.274) 11.878 18.564 ( -6.759 -3.902 4.673) 9.097 18.770 ( 3.966 2.290 5.844) 7.425 18.894 ( -4.695 -2.711 -5.438) 7.678 19.045 ( 0.257 0.148 -5.107) 5.116 21.409 ( -3.966 -2.290 7.184) 8.519 21.744 ( -13.488 -7.787 -3.114) 15.883 27.462 ( -0.338 -0.195 1.573) 1.620 27.556 ( -0.778 -0.449 -1.644) 1.874 36.609 ( -1.466 -0.847 -0.397) 1.739 36.867 ( 7.952 4.591 3.246) 9.739 36.972 ( 22.342 12.899 -11.822) 28.378 37.020 ( 17.964 10.371 0.250) 20.744 ======================= Grid point 643 (173/189) ======================= q-point: ( 0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.406 ( 6.208 3.584 23.553) 24.620 2.569 ( -5.386 -3.110 28.419) 29.091 3.323 ( -2.772 -1.601 -21.470) 21.707 4.233 ( 7.015 4.050 -17.268) 19.074 4.763 ( 17.090 9.867 27.895) 34.170 5.549 ( -6.952 -4.014 -7.247) 10.815 6.290 ( -1.194 -0.689 0.239) 1.399 6.443 ( 0.463 0.267 15.258) 15.267 6.866 ( 0.769 0.444 -15.727) 15.752 7.020 ( 9.355 5.401 -0.353) 10.808 7.802 ( 6.510 3.759 2.944) 8.073 8.030 ( -0.576 -0.333 -8.002) 8.030 10.428 ( 2.186 1.262 4.159) 4.865 10.539 ( 8.387 4.842 8.645) 12.982 10.786 ( 13.691 7.905 -0.952) 15.838 11.193 ( 17.296 9.986 -10.012) 22.341 12.799 ( -21.925 -12.658 11.649) 27.868 13.279 ( -13.730 -7.927 -8.277) 17.885 18.410 ( -8.497 -4.906 4.087) 10.629 18.767 ( -3.613 -2.086 -4.764) 6.332 18.856 ( -0.859 -0.496 2.986) 3.147 19.014 ( 1.221 0.705 -3.464) 3.740 21.313 ( -6.854 -3.957 4.177) 8.949 21.413 ( -13.679 -7.898 1.209) 15.842 27.472 ( 0.577 0.333 1.207) 1.378 27.528 ( -0.706 -0.408 -1.394) 1.615 36.617 ( 2.264 1.307 -1.066) 2.823 37.109 ( 10.556 6.095 5.962) 13.569 37.437 ( 23.912 13.805 -23.058) 35.972 37.521 ( 24.286 14.022 2.742) 28.177 ======================= Grid point 644 (174/189) ======================= q-point: ( 0.58 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -1.317 -0.760 18.257) 18.320 2.693 ( 9.590 5.537 10.963) 15.582 3.309 ( 9.315 5.378 -11.587) 15.810 4.259 ( 2.831 1.634 -15.447) 15.789 5.101 ( 2.030 1.172 17.915) 18.068 5.371 ( -7.206 -4.161 3.086) 8.875 6.222 ( -2.800 -1.616 -6.510) 7.269 6.533 ( -0.355 -0.205 12.927) 12.933 6.773 ( -1.174 -0.678 -16.549) 16.604 7.272 ( 10.406 6.008 3.409) 12.490 7.999 ( 1.335 0.771 -6.913) 7.083 8.018 ( 11.682 6.745 2.293) 13.683 10.547 ( 5.304 3.062 6.935) 9.252 10.823 ( 11.361 6.559 10.649) 16.897 11.006 ( 4.836 2.792 -5.332) 7.721 11.487 ( 13.087 7.556 -10.368) 18.327 12.369 ( -20.539 -11.858 15.718) 28.452 12.917 ( -12.796 -7.388 -7.424) 16.535 18.239 ( -7.793 -4.499 3.603) 9.692 18.691 ( -0.902 -0.521 -3.559) 3.708 18.740 ( -7.539 -4.353 -1.999) 8.932 19.084 ( 3.756 2.168 -0.139) 4.339 21.156 ( -9.589 -5.536 2.455) 11.342 21.158 ( -7.462 -4.308 0.796) 8.653 27.499 ( 1.180 0.681 0.607) 1.492 27.516 ( 0.186 0.108 -0.773) 0.802 36.689 ( 4.342 2.507 -1.353) 5.193 37.393 ( 10.480 6.050 7.911) 14.457 37.767 ( 16.290 9.405 -25.770) 31.905 38.118 ( 25.190 14.543 5.015) 29.516 ======================= Grid point 645 (175/189) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 4.635 2.676 4.348) 6.896 2.947 ( 10.392 6.000 -1.328) 12.073 3.550 ( 12.118 6.996 -0.652) 14.008 4.185 ( -2.721 -1.571 -13.186) 13.556 5.105 ( -7.197 -4.155 11.918) 14.529 5.275 ( -4.027 -2.325 10.294) 11.296 6.127 ( -0.914 -0.528 -9.375) 9.434 6.543 ( -4.395 -2.537 11.993) 13.023 6.636 ( -3.104 -1.792 -15.055) 15.476 7.487 ( 7.574 4.373 0.530) 8.762 8.007 ( 1.609 0.929 -4.133) 4.531 8.349 ( 13.956 8.058 6.588) 17.410 10.706 ( 1.784 1.030 3.409) 3.982 10.920 ( -4.957 -2.862 -6.405) 8.590 11.118 ( 7.543 4.355 9.035) 12.550 11.682 ( 7.879 4.549 -3.694) 9.819 12.101 ( -8.305 -4.795 13.034) 16.182 12.654 ( -7.531 -4.348 -5.300) 10.184 18.111 ( -4.661 -2.691 3.222) 6.272 18.539 ( -8.430 -4.867 -2.092) 9.956 18.688 ( 2.032 1.173 -2.712) 3.586 19.144 ( 1.473 0.850 -0.715) 1.845 20.995 ( -6.376 -3.681 -1.349) 7.485 20.999 ( -5.345 -3.086 2.271) 6.577 27.527 ( 1.044 0.602 0.135) 1.212 27.529 ( 1.129 0.652 -0.018) 1.303 36.787 ( 4.479 2.586 -1.272) 5.326 37.653 ( 7.770 4.486 9.190) 12.844 37.915 ( 8.689 5.016 -23.679) 25.717 38.692 ( 22.162 12.795 4.649) 26.009 ======================= Grid point 654 (176/189) ======================= q-point: ( 0.42 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -0.000 -9.360 30.085) 31.507 2.896 ( -0.000 18.074 29.648) 34.722 3.559 ( 0.000 -8.156 -23.538) 24.911 3.905 ( 0.000 -0.775 -22.987) 23.000 4.238 ( -0.000 16.023 40.666) 43.709 5.670 ( 0.000 0.935 -22.528) 22.547 6.220 ( -0.000 -10.296 14.088) 17.449 6.528 ( 0.000 6.815 6.924) 9.715 6.846 ( 0.000 1.799 -10.593) 10.745 6.892 ( 0.000 11.120 -6.539) 12.900 7.658 ( -0.000 -6.574 10.358) 12.268 8.052 ( 0.000 -3.119 -8.073) 8.654 10.413 ( 0.000 4.613 0.451) 4.635 10.432 ( 0.000 8.734 7.983) 11.832 10.574 ( 0.000 12.284 -2.841) 12.608 10.689 ( 0.000 11.633 -5.296) 12.782 13.236 ( -0.000 -11.489 6.125) 13.020 13.540 ( -0.000 -9.826 -7.629) 12.440 18.636 ( -0.000 -3.654 4.615) 5.886 18.749 ( -0.000 -0.732 6.397) 6.438 18.834 ( -0.000 -8.305 -5.896) 10.185 19.051 ( 0.000 3.572 -4.893) 6.058 21.448 ( -0.000 -5.226 7.295) 8.974 21.721 ( -0.000 -14.247 -4.043) 14.809 27.471 ( -0.000 -0.522 1.646) 1.726 27.548 ( 0.000 -0.728 -1.706) 1.855 36.617 ( -0.000 -1.333 1.375) 1.915 36.718 ( 0.000 4.434 -1.164) 4.584 36.907 ( 0.000 12.382 1.442) 12.465 37.180 ( 0.000 34.542 -7.995) 35.455 ======================= Grid point 655 (177/189) ======================= q-point: ( 0.50 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( 4.560 -1.713 25.927) 26.380 3.051 ( -16.724 15.131 25.881) 34.329 3.266 ( -7.128 -2.271 -21.619) 22.876 3.906 ( 15.184 -6.693 -22.638) 28.068 4.758 ( 14.257 13.835 30.938) 36.767 5.554 ( -2.793 1.772 -16.356) 16.688 6.204 ( 1.278 -11.669 13.175) 17.646 6.545 ( -4.351 -1.789 0.826) 4.776 6.863 ( 4.742 6.932 -5.750) 10.179 7.005 ( 0.932 17.047 -7.366) 18.593 7.707 ( 5.176 -3.548 8.758) 10.774 7.976 ( -0.120 -2.332 -7.909) 8.247 10.480 ( 0.902 6.234 5.369) 8.276 10.594 ( -1.774 11.304 -2.060) 11.626 10.685 ( 8.654 12.630 6.188) 16.513 10.968 ( 14.721 12.096 -8.821) 20.996 13.026 ( -12.843 -14.470 8.475) 21.122 13.310 ( -7.294 -13.729 -8.820) 17.874 18.537 ( -7.935 -3.594 4.393) 9.756 18.694 ( -0.552 -9.361 -4.736) 10.505 18.851 ( 5.771 -1.322 5.020) 7.763 19.025 ( -3.494 2.498 -4.923) 6.533 21.381 ( -4.237 -7.229 4.906) 9.710 21.490 ( -7.261 -13.511 -0.944) 15.368 27.476 ( 0.148 0.027 1.455) 1.463 27.527 ( -0.470 -0.481 -1.563) 1.701 36.678 ( -1.703 6.611 2.742) 7.357 36.802 ( 12.860 0.375 -4.215) 13.538 37.246 ( 17.745 15.245 5.031) 23.929 37.516 ( 4.688 34.269 -13.090) 36.982 ======================= Grid point 656 (178/189) ======================= q-point: ( 0.58 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 4.577 3.314 18.789) 19.621 2.963 ( -11.136 8.599 0.987) 14.104 3.199 ( 0.159 9.772 3.455) 10.366 3.991 ( 14.925 -6.322 -19.990) 25.736 5.162 ( 4.876 3.825 19.366) 20.334 5.438 ( -3.919 -0.173 -6.861) 7.903 6.151 ( -0.923 -11.316 5.882) 12.787 6.396 ( -0.343 -11.766 -8.025) 14.246 6.999 ( -6.771 19.386 0.385) 20.538 7.235 ( 10.892 13.468 0.259) 17.324 7.843 ( 8.451 -0.476 2.846) 8.930 7.939 ( 3.254 0.514 -6.544) 7.326 10.594 ( 0.553 8.583 5.898) 10.429 10.757 ( 8.676 6.766 2.213) 11.223 10.975 ( 5.533 11.385 4.005) 13.277 11.269 ( 14.070 8.675 -10.632) 19.653 12.658 ( -18.234 -14.348 12.684) 26.443 12.962 ( -9.696 -14.366 -9.081) 19.567 18.374 ( -9.286 -2.957 3.846) 10.477 18.585 ( 1.355 -8.963 -3.986) 9.903 18.887 ( -6.928 2.262 -0.867) 7.339 19.000 ( 5.242 -1.798 -0.037) 5.542 21.229 ( -6.452 -7.192 1.359) 9.757 21.241 ( -7.640 -9.655 1.149) 12.366 27.494 ( 0.716 0.696 0.965) 1.389 27.513 ( -0.079 0.357 -1.083) 1.143 36.729 ( -2.284 9.944 1.148) 10.267 37.072 ( 20.536 -3.160 -3.864) 21.134 37.729 ( 8.485 23.458 -1.806) 25.010 37.898 ( 18.097 20.316 -4.490) 27.575 ======================= Grid point 657 (179/189) ======================= q-point: ( 0.67 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( -2.503 3.557 11.962) 12.728 2.945 ( 0.146 11.267 -5.257) 12.434 3.444 ( 9.441 12.684 7.241) 17.391 4.053 ( 8.115 -2.635 -16.646) 18.705 5.225 ( -4.941 -4.666 11.947) 13.744 5.358 ( -2.553 -2.235 3.162) 4.638 6.016 ( -1.042 -8.200 -8.431) 11.807 6.262 ( 5.503 -18.263 -3.280) 19.354 7.002 ( -13.827 17.727 0.370) 22.485 7.527 ( 4.252 13.876 2.571) 14.738 7.904 ( 4.347 -1.674 -6.177) 7.736 8.174 ( 17.003 5.241 4.918) 18.459 10.734 ( 1.700 6.255 5.451) 8.469 10.905 ( 0.938 -1.996 -5.075) 5.534 11.139 ( 2.103 10.112 6.811) 12.372 11.516 ( 12.900 5.716 -8.216) 16.327 12.314 ( -14.933 -10.237 15.169) 23.620 12.657 ( -5.145 -11.073 -7.063) 14.105 18.222 ( -7.848 -1.168 3.536) 8.686 18.513 ( 1.273 -7.732 -2.684) 8.283 18.760 ( -7.820 3.420 -2.655) 8.938 19.074 ( 4.957 -3.218 0.383) 5.922 21.053 ( -6.275 -5.544 -1.298) 8.473 21.060 ( -5.389 -5.906 1.751) 8.185 27.521 ( 0.694 1.045 -0.083) 1.257 27.522 ( 0.865 1.145 0.177) 1.446 36.808 ( -0.598 9.653 0.469) 9.683 37.361 ( 19.125 -4.318 -4.000) 20.011 37.965 ( -1.228 22.493 -9.217) 24.339 38.449 ( 23.372 11.350 6.269) 26.728 ======================= Grid point 668 (180/189) ======================= q-point: ( 0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 476 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -0.000 1.772 22.170) 22.241 3.239 ( 0.000 2.560 -21.857) 22.006 3.475 ( 0.000 -13.230 -26.360) 29.494 3.524 ( -0.000 14.360 24.897) 28.741 4.938 ( -0.000 15.253 27.793) 31.703 5.512 ( 0.000 2.877 -16.665) 16.912 6.162 ( -0.000 -12.403 15.465) 19.824 6.635 ( -0.000 0.854 2.737) 2.868 6.703 ( 0.000 -2.915 -10.856) 11.241 7.178 ( 0.000 21.664 -9.578) 23.687 7.704 ( -0.000 -0.531 12.588) 12.599 7.928 ( 0.000 0.595 -5.410) 5.443 10.532 ( 0.000 7.542 -1.766) 7.746 10.758 ( 0.000 12.251 5.741) 13.530 10.798 ( 0.000 11.214 -2.187) 11.425 10.906 ( 0.000 17.019 -2.018) 17.138 13.028 ( -0.000 -15.579 6.849) 17.018 13.159 ( -0.000 -18.385 -10.512) 21.178 18.556 ( -0.000 -9.420 -3.702) 10.121 18.643 ( -0.000 -3.390 1.562) 3.733 18.760 ( -0.000 -5.145 6.361) 8.181 19.067 ( 0.000 3.136 -3.961) 5.053 21.358 ( -0.000 -9.580 3.730) 10.281 21.401 ( -0.000 -14.346 -0.524) 14.355 27.483 ( -0.000 0.145 1.328) 1.336 27.518 ( 0.000 -0.270 -1.481) 1.506 36.626 ( 0.000 2.016 -0.880) 2.199 36.951 ( 0.000 14.849 7.805) 16.776 37.203 ( 0.000 15.552 0.546) 15.561 37.759 ( 0.000 34.115 -13.700) 36.763 ======================= Grid point 669 (181/189) ======================= q-point: ( 0.58 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 864 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.706 ( 6.133 4.598 16.480) 18.175 3.011 ( -6.845 1.900 -19.461) 20.717 3.487 ( 19.211 -5.532 -21.859) 29.622 3.643 ( -13.693 13.480 22.587) 29.654 5.239 ( 3.527 7.305 16.927) 18.771 5.429 ( -1.783 -0.068 -13.023) 13.144 6.109 ( -0.497 -13.150 13.359) 18.752 6.370 ( -13.527 -5.591 -7.928) 16.646 6.983 ( 21.254 3.830 2.452) 21.735 7.314 ( -1.064 18.548 -8.257) 20.331 7.789 ( 2.251 1.060 8.184) 8.554 7.927 ( -2.179 7.762 -3.990) 8.996 10.653 ( 5.958 6.891 -0.367) 9.117 10.775 ( -3.978 10.002 -1.941) 10.938 11.037 ( 9.104 9.174 4.333) 13.632 11.135 ( 4.612 15.664 -1.289) 16.379 12.817 ( -9.966 -15.347 7.705) 19.855 12.861 ( -4.922 -19.216 -11.263) 22.811 18.443 ( 1.365 -9.815 -4.664) 10.952 18.523 ( -8.609 -2.487 3.580) 9.650 18.836 ( 7.710 -5.332 4.476) 10.388 19.034 ( -5.071 3.040 -3.214) 6.730 21.236 ( -3.566 -11.460 0.730) 12.024 21.241 ( -3.581 -9.537 1.033) 10.239 27.496 ( 0.441 0.659 0.963) 1.248 27.511 ( 0.067 0.488 -1.124) 1.227 36.753 ( 11.719 2.174 -1.483) 12.011 36.995 ( -10.597 15.601 4.550) 19.401 37.624 ( 21.429 15.051 7.378) 27.207 38.007 ( -0.132 30.038 -13.508) 32.935 ======================= Grid point 670 (182/189) ======================= q-point: ( 0.67 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 440 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 4.235 4.047 -13.763) 14.958 2.930 ( 1.387 5.691 13.763) 14.958 3.687 ( 18.686 0.877 -18.786) 26.512 3.687 ( -8.584 16.621 18.786) 26.512 5.324 ( -0.187 -4.685 -8.399) 9.619 5.324 ( -3.964 -2.504 8.399) 9.619 6.034 ( -8.170 -8.957 -13.130) 17.871 6.034 ( -3.672 -11.554 13.130) 17.871 7.392 ( 6.635 7.848 -6.729) 12.284 7.392 ( 3.479 9.670 6.729) 12.284 7.953 ( -2.631 12.003 -4.536) 13.099 7.953 ( 11.711 3.724 4.536) 13.099 10.818 ( 3.061 3.820 -7.803) 9.211 10.818 ( 1.778 4.561 7.803) 9.211 11.300 ( 8.596 6.811 -10.738) 15.348 11.300 ( 1.600 10.850 10.738) 15.348 12.532 ( -3.134 -16.719 -11.802) 20.704 12.532 ( -12.912 -11.074 11.802) 20.704 18.375 ( 2.715 -7.373 -3.469) 8.589 18.375 ( -7.743 -1.335 3.469) 8.589 18.928 ( -4.524 0.769 -3.911) 6.029 18.928 ( 2.928 -3.533 3.911) 6.029 21.079 ( -4.865 -7.212 -1.383) 8.809 21.079 ( -3.813 -7.819 1.383) 8.809 27.521 ( 0.525 1.335 -0.705) 1.598 27.521 ( 0.893 1.122 0.705) 1.598 37.009 ( 12.489 3.127 -4.871) 13.765 37.009 ( -3.537 12.379 4.871) 13.765 38.193 ( 1.697 22.590 -13.072) 26.154 38.193 ( 18.714 12.765 13.072) 26.154 ======================= Grid point 682 (183/189) ======================= q-point: ( 0.58 0.58 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 0.000 5.761 6.013) 8.327 2.936 ( 0.000 -11.288 -21.241) 24.054 3.261 ( 0.000 15.215 -7.330) 16.888 3.977 ( -0.000 6.654 18.980) 20.112 5.349 ( -0.000 4.470 6.672) 8.031 5.358 ( 0.000 -2.955 -13.355) 13.679 6.074 ( -0.000 -8.922 12.590) 15.431 6.594 ( -0.000 -3.177 3.733) 4.902 6.660 ( 0.000 0.827 -2.914) 3.029 7.374 ( 0.000 9.279 -9.213) 13.076 7.870 ( -0.000 3.926 9.132) 9.941 8.059 ( 0.000 15.936 -2.945) 16.206 10.650 ( 0.000 7.597 -5.128) 9.165 10.929 ( -0.000 0.703 3.697) 3.763 10.977 ( 0.000 12.610 -6.804) 14.329 11.320 ( 0.000 17.111 9.043) 19.354 12.615 ( -0.000 -21.429 -14.590) 25.924 12.805 ( -0.000 -13.191 6.284) 14.611 18.306 ( -0.000 -9.414 -4.750) 10.545 18.639 ( -0.000 -0.324 2.765) 2.784 18.685 ( -0.000 -8.301 4.610) 9.495 19.097 ( 0.000 3.013 -1.585) 3.404 21.157 ( -0.000 -10.561 0.967) 10.606 21.176 ( -0.000 -9.751 -0.232) 9.754 27.504 ( 0.000 0.863 0.661) 1.087 27.511 ( 0.000 0.800 -0.848) 1.166 36.684 ( 0.000 4.536 -0.542) 4.569 37.416 ( 0.000 16.425 17.591) 24.067 37.492 ( 0.000 14.230 -3.875) 14.748 38.240 ( 0.000 28.644 -10.701) 30.578 ======================= Grid point 805 (184/189) ======================= q-point: ( 0.42 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -0.000 0.000 30.762) 30.762 2.735 ( -0.000 0.000 30.762) 30.762 3.644 ( 0.000 -0.000 -24.682) 24.682 3.644 ( 0.000 -0.000 -24.682) 24.682 4.290 ( -0.000 0.000 43.231) 43.231 5.497 ( 0.000 -0.000 -31.031) 31.031 6.441 ( -0.000 0.000 11.225) 11.225 6.441 ( -0.000 0.000 11.225) 11.225 6.774 ( 0.000 -0.000 -8.195) 8.195 6.774 ( 0.000 -0.000 -8.195) 8.195 7.770 ( -0.000 0.000 7.979) 7.979 8.040 ( 0.000 -0.000 -8.407) 8.407 10.369 ( -0.000 0.000 3.753) 3.753 10.369 ( -0.000 0.000 3.753) 3.753 10.490 ( 0.000 -0.000 -3.020) 3.020 10.490 ( 0.000 -0.000 -3.020) 3.020 13.391 ( -0.000 0.000 5.815) 5.815 13.602 ( 0.000 -0.000 -6.876) 6.876 18.745 ( -0.000 0.000 5.840) 5.840 18.745 ( -0.000 0.000 5.840) 5.840 18.937 ( 0.000 -0.000 -5.706) 5.706 18.937 ( 0.000 -0.000 -5.706) 5.706 21.550 ( -0.000 0.000 8.804) 8.804 21.833 ( 0.000 -0.000 -8.278) 8.278 27.488 ( -0.000 0.000 1.731) 1.731 27.546 ( 0.000 -0.000 -1.813) 1.813 36.713 ( 0.000 -0.000 0.483) 0.483 36.713 ( 0.000 0.000 0.483) 0.483 36.730 ( -0.000 -0.000 -0.552) 0.552 36.730 ( 0.000 -0.000 -0.552) 0.552 ======================= Grid point 806 (185/189) ======================= q-point: ( 0.50 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 474 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -5.419 -3.129 28.826) 29.498 3.022 ( -2.043 -1.180 30.483) 30.574 3.222 ( -10.946 -6.320 -26.297) 29.177 3.782 ( 11.906 6.874 -24.225) 27.854 4.707 ( 15.030 8.678 36.018) 39.981 5.373 ( 3.143 1.815 -28.421) 28.651 6.431 ( -3.548 -2.049 11.494) 12.203 6.559 ( 1.397 0.807 10.351) 10.476 6.707 ( -0.611 -0.353 -12.759) 12.778 6.804 ( 6.457 3.728 -5.444) 9.232 7.796 ( -0.439 -0.254 7.473) 7.491 7.967 ( -1.880 -1.085 -8.831) 9.093 10.425 ( 0.101 0.059 0.211) 0.241 10.465 ( 5.589 3.227 7.188) 9.660 10.502 ( 9.915 5.725 1.470) 11.543 10.708 ( 14.766 8.525 -7.789) 18.745 13.291 ( -11.506 -6.643 7.428) 15.222 13.460 ( -8.813 -5.088 -7.444) 12.609 18.646 ( -7.306 -4.218 5.324) 9.976 18.805 ( -4.336 -2.503 -5.427) 7.383 18.865 ( 3.430 1.980 5.772) 7.000 18.957 ( 0.504 0.291 -5.662) 5.692 21.526 ( -5.877 -3.393 7.160) 9.866 21.670 ( -9.412 -5.434 -5.739) 12.290 27.490 ( -0.443 -0.256 1.772) 1.844 27.528 ( -0.669 -0.386 -1.789) 1.948 36.611 ( -2.084 -1.203 0.601) 2.480 36.822 ( 12.978 7.493 -7.138) 16.599 36.911 ( 9.950 5.744 1.888) 11.643 37.032 ( 19.569 11.298 1.558) 22.649 ======================= Grid point 807 (186/189) ======================= q-point: ( 0.58 0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( -2.620 -1.512 9.263) 9.744 3.013 ( 4.858 2.805 -8.612) 10.277 3.031 ( -9.561 -5.520 28.274) 30.353 3.908 ( 9.742 5.625 -22.235) 24.919 5.185 ( 9.634 5.562 23.526) 26.024 5.327 ( 4.125 2.381 -19.620) 20.190 6.320 ( -9.015 -5.205 -0.734) 10.435 6.621 ( 0.602 0.348 5.719) 5.762 6.646 ( 0.228 0.131 -7.622) 7.627 7.050 ( 14.150 8.170 5.033) 17.097 7.854 ( 3.541 2.044 3.783) 5.570 7.886 ( -0.189 -0.109 -9.940) 9.942 10.490 ( 4.499 2.597 3.346) 6.179 10.687 ( 9.656 5.575 9.030) 14.348 10.780 ( 11.714 6.763 0.273) 13.529 11.021 ( 16.203 9.355 -10.927) 21.667 12.983 ( -18.572 -10.723 11.122) 24.158 13.148 ( -13.836 -7.988 -7.868) 17.808 18.482 ( -9.012 -5.203 4.745) 11.437 18.695 ( -2.833 -1.636 -4.067) 5.219 18.849 ( -4.633 -2.675 -4.022) 6.693 19.007 ( 3.947 2.279 2.736) 5.316 21.372 ( -9.430 -5.445 2.933) 11.277 21.405 ( -10.905 -6.296 -1.932) 12.739 27.494 ( 0.135 0.078 1.457) 1.466 27.505 ( -0.329 -0.190 -1.445) 1.494 36.613 ( 1.734 1.001 0.463) 2.055 37.134 ( 17.586 10.153 -14.769) 25.109 37.185 ( 12.413 7.166 3.002) 14.644 37.594 ( 26.211 15.133 6.909) 31.044 ======================= Grid point 819 (187/189) ======================= q-point: ( 0.50 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( -0.000 -12.444 28.535) 31.131 3.151 ( 0.000 -6.921 -26.468) 27.358 3.359 ( -0.000 15.586 27.073) 31.239 3.495 ( 0.000 -1.393 -26.991) 27.027 4.855 ( -0.000 10.075 35.290) 36.700 5.243 ( 0.000 9.457 -29.975) 31.432 6.452 ( -0.000 -8.206 13.433) 15.741 6.635 ( -0.000 1.444 4.207) 4.448 6.660 ( 0.000 0.133 -11.246) 11.247 6.779 ( 0.000 12.004 -5.676) 13.279 7.819 ( -0.000 -3.443 9.549) 10.151 7.921 ( 0.000 -2.207 -7.980) 8.279 10.422 ( 0.000 2.879 0.505) 2.923 10.533 ( 0.000 10.926 -2.258) 11.157 10.556 ( 0.000 9.907 3.370) 10.465 10.600 ( 0.000 12.203 -1.794) 12.334 13.343 ( -0.000 -10.875 6.991) 12.929 13.414 ( -0.000 -11.336 -7.773) 13.745 18.712 ( -0.000 -6.074 3.267) 6.897 18.743 ( -0.000 -6.964 -3.827) 7.946 18.853 ( -0.000 -0.467 6.228) 6.245 18.965 ( 0.000 4.372 -5.531) 7.050 21.565 ( -0.000 -7.597 7.010) 10.337 21.636 ( -0.000 -9.859 -6.203) 11.648 27.499 ( -0.000 -0.653 1.794) 1.909 27.519 ( 0.000 -0.611 -1.812) 1.912 36.624 ( -0.000 -2.407 -0.560) 2.472 36.735 ( 0.000 8.519 3.423) 9.181 36.923 ( 0.000 12.574 0.359) 12.579 37.081 ( 0.000 26.715 -4.538) 27.098 ======================= Grid point 820 (188/189) ======================= q-point: ( 0.58 0.50 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 438 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( -6.767 -0.746 -25.657) 26.545 2.846 ( 2.738 -6.234 25.657) 26.545 3.508 ( 18.395 -6.435 -26.055) 32.537 3.508 ( -14.770 12.713 26.055) 32.537 5.214 ( 1.734 10.655 -25.024) 27.253 5.214 ( 8.360 6.829 25.024) 27.253 6.427 ( -7.114 -6.923 -12.942) 16.311 6.427 ( -2.438 -9.622 12.942) 16.311 6.887 ( 4.829 13.361 -6.425) 15.592 6.887 ( 9.157 10.862 6.425) 15.592 7.845 ( -1.758 -0.414 -8.266) 8.461 7.845 ( 0.521 -1.730 8.266) 8.461 10.548 ( 3.485 6.844 -3.383) 8.392 10.548 ( 4.184 6.440 3.383) 8.392 10.818 ( 11.958 12.048 -9.338) 19.374 10.818 ( 4.455 16.380 9.338) 19.374 13.167 ( -6.984 -15.754 -8.830) 19.363 13.167 ( -10.151 -13.925 8.830) 19.363 18.614 ( 0.116 -9.170 -4.959) 10.426 18.614 ( -8.000 -4.485 4.959) 10.426 18.939 ( -3.747 3.433 -5.519) 7.502 18.939 ( 4.847 -1.529 5.519) 7.502 21.451 ( -5.591 -10.096 -3.570) 12.081 21.451 ( -5.948 -9.890 3.570) 12.081 27.501 ( -0.284 -0.197 -1.601) 1.638 27.501 ( -0.028 -0.344 1.601) 1.638 36.733 ( 11.347 0.234 -4.016) 12.039 36.733 ( -5.471 9.944 4.016) 12.039 37.349 ( 4.898 27.036 -7.981) 28.612 37.349 ( 20.965 17.759 7.981) 28.612 ======================= Grid point 976 (189/189) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 0.000 -0.000 -28.265) 28.265 3.214 ( 0.000 -0.000 -28.265) 28.265 3.214 ( -0.000 0.000 28.265) 28.265 3.214 ( -0.000 0.000 28.265) 28.265 4.943 ( 0.000 -0.000 -37.353) 37.353 4.943 ( -0.000 0.000 37.353) 37.353 6.620 ( 0.000 -0.000 -10.594) 10.594 6.620 ( 0.000 -0.000 -10.594) 10.594 6.620 ( -0.000 0.000 10.594) 10.594 6.620 ( -0.000 0.000 10.594) 10.594 7.903 ( 0.000 -0.000 -8.419) 8.419 7.903 ( -0.000 0.000 8.419) 8.419 10.433 ( 0.000 -0.000 -3.911) 3.911 10.433 ( 0.000 -0.000 -3.911) 3.911 10.433 ( -0.000 0.000 3.911) 3.911 10.433 ( -0.000 0.000 3.911) 3.911 13.492 ( 0.000 -0.000 -6.615) 6.615 13.492 ( -0.000 0.000 6.615) 6.615 18.842 ( 0.000 -0.000 -5.982) 5.982 18.842 ( 0.000 -0.000 -5.982) 5.982 18.842 ( -0.000 0.000 5.982) 5.982 18.842 ( -0.000 0.000 5.982) 5.982 21.694 ( 0.000 -0.000 -8.848) 8.848 21.694 ( -0.000 0.000 8.848) 8.848 27.517 ( 0.000 -0.000 -1.844) 1.844 27.517 ( -0.000 0.000 1.844) 1.844 36.721 ( -0.000 -0.000 -0.559) 0.559 36.721 ( -0.000 -0.000 0.559) 0.559 36.721 ( 0.000 0.000 -0.559) 0.559 36.721 ( 0.000 0.000 0.559) 0.559 =================== 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 3/51840 10.0 6576.360 6576.360 8877.222 0.000 -0.000 0.000 3/51840 20.0 2832.655 2832.655 3049.388 0.000 -0.000 0.000 3/51840 30.0 994.373 994.373 986.563 0.000 -0.000 0.000 3/51840 40.0 468.798 468.798 447.028 0.000 -0.000 0.000 3/51840 50.0 277.754 277.754 259.546 0.000 -0.000 0.000 3/51840 60.0 187.010 187.010 172.933 0.000 -0.000 0.000 3/51840 70.0 136.424 136.424 125.458 0.000 -0.000 0.000 3/51840 80.0 105.220 105.220 96.467 0.000 -0.000 0.000 3/51840 90.0 84.562 84.562 77.394 0.000 -0.000 0.000 3/51840 100.0 70.141 70.141 64.131 0.000 -0.000 0.000 3/51840 110.0 59.641 59.641 54.500 0.000 -0.000 0.000 3/51840 120.0 51.732 51.732 47.257 0.000 -0.000 0.000 3/51840 130.0 45.601 45.601 41.649 0.000 -0.000 0.000 3/51840 140.0 40.734 40.734 37.201 0.000 -0.000 0.000 3/51840 150.0 36.790 36.790 33.598 0.000 -0.000 0.000 3/51840 160.0 33.537 33.537 30.628 0.000 -0.000 0.000 3/51840 170.0 30.814 30.814 28.142 0.000 -0.000 0.000 3/51840 180.0 28.504 28.504 26.032 0.000 -0.000 0.000 3/51840 190.0 26.520 26.520 24.222 0.000 -0.000 0.000 3/51840 200.0 24.800 24.800 22.651 0.000 -0.000 0.000 3/51840 210.0 23.295 23.295 21.277 0.000 -0.000 0.000 3/51840 220.0 21.967 21.967 20.064 0.000 -0.000 0.000 3/51840 230.0 20.787 20.787 18.987 0.000 -0.000 0.000 3/51840 240.0 19.731 19.731 18.023 0.000 -0.000 0.000 3/51840 250.0 18.781 18.781 17.156 0.000 -0.000 0.000 3/51840 260.0 17.922 17.922 16.371 0.000 -0.000 0.000 3/51840 270.0 17.141 17.141 15.658 0.000 -0.000 0.000 3/51840 280.0 16.428 16.428 15.007 0.000 -0.000 0.000 3/51840 290.0 15.774 15.774 14.411 0.000 -0.000 0.000 3/51840 300.0 15.172 15.172 13.862 0.000 -0.000 0.000 3/51840 310.0 14.617 14.617 13.356 0.000 -0.000 0.000 3/51840 320.0 14.103 14.103 12.887 0.000 -0.000 0.000 3/51840 330.0 13.625 13.625 12.451 0.000 -0.000 0.000 3/51840 340.0 13.180 13.180 12.046 0.000 -0.000 0.000 3/51840 350.0 12.765 12.765 11.667 0.000 -0.000 0.000 3/51840 360.0 12.376 12.376 11.313 0.000 -0.000 0.000 3/51840 370.0 12.011 12.011 10.980 0.000 -0.000 0.000 3/51840 380.0 11.668 11.668 10.668 0.000 -0.000 0.000 3/51840 390.0 11.345 11.345 10.374 0.000 -0.000 0.000 3/51840 400.0 11.040 11.040 10.096 0.000 -0.000 0.000 3/51840 410.0 10.752 10.752 9.834 0.000 -0.000 0.000 3/51840 420.0 10.479 10.479 9.586 0.000 -0.000 0.000 3/51840 430.0 10.220 10.220 9.350 0.000 -0.000 0.000 3/51840 440.0 9.975 9.975 9.127 0.000 -0.000 0.000 3/51840 450.0 9.741 9.741 8.915 0.000 -0.000 0.000 3/51840 460.0 9.519 9.519 8.712 0.000 -0.000 0.000 3/51840 470.0 9.307 9.307 8.519 0.000 -0.000 0.000 3/51840 480.0 9.105 9.105 8.335 0.000 -0.000 0.000 3/51840 490.0 8.911 8.911 8.160 0.000 -0.000 0.000 3/51840 500.0 8.726 8.726 7.991 0.000 -0.000 0.000 3/51840 510.0 8.549 8.549 7.830 0.000 -0.000 0.000 3/51840 520.0 8.379 8.379 7.676 0.000 -0.000 0.000 3/51840 530.0 8.216 8.216 7.528 0.000 -0.000 0.000 3/51840 540.0 8.060 8.060 7.386 0.000 -0.000 0.000 3/51840 550.0 7.910 7.910 7.249 0.000 -0.000 0.000 3/51840 560.0 7.765 7.765 7.117 0.000 -0.000 0.000 3/51840 570.0 7.626 7.626 6.991 0.000 -0.000 0.000 3/51840 580.0 7.492 7.492 6.869 0.000 -0.000 0.000 3/51840 590.0 7.363 7.363 6.751 0.000 -0.000 0.000 3/51840 600.0 7.238 7.238 6.638 0.000 -0.000 0.000 3/51840 610.0 7.117 7.117 6.528 0.000 -0.000 0.000 3/51840 620.0 7.001 7.001 6.423 0.000 -0.000 0.000 3/51840 630.0 6.889 6.889 6.320 0.000 -0.000 0.000 3/51840 640.0 6.780 6.780 6.221 0.000 -0.000 0.000 3/51840 650.0 6.675 6.675 6.125 0.000 -0.000 0.000 3/51840 660.0 6.573 6.573 6.033 0.000 -0.000 0.000 3/51840 670.0 6.474 6.474 5.943 0.000 -0.000 0.000 3/51840 680.0 6.378 6.378 5.856 0.000 -0.000 0.000 3/51840 690.0 6.285 6.285 5.771 0.000 -0.000 0.000 3/51840 700.0 6.195 6.195 5.689 0.000 -0.000 0.000 3/51840 710.0 6.108 6.108 5.609 0.000 -0.000 0.000 3/51840 720.0 6.023 6.023 5.532 0.000 -0.000 0.000 3/51840 730.0 5.940 5.940 5.457 0.000 -0.000 0.000 3/51840 740.0 5.860 5.860 5.384 0.000 -0.000 0.000 3/51840 750.0 5.782 5.782 5.312 0.000 -0.000 0.000 3/51840 760.0 5.706 5.706 5.243 0.000 -0.000 0.000 3/51840 770.0 5.632 5.632 5.176 0.000 -0.000 0.000 3/51840 780.0 5.560 5.560 5.110 0.000 -0.000 0.000 3/51840 790.0 5.490 5.490 5.046 0.000 -0.000 0.000 3/51840 800.0 5.422 5.422 4.984 0.000 -0.000 0.000 3/51840 810.0 5.355 5.355 4.923 0.000 -0.000 0.000 3/51840 820.0 5.290 5.290 4.864 0.000 -0.000 0.000 3/51840 830.0 5.227 5.227 4.806 0.000 -0.000 0.000 3/51840 840.0 5.165 5.165 4.750 0.000 -0.000 0.000 3/51840 850.0 5.105 5.105 4.695 0.000 -0.000 0.000 3/51840 860.0 5.046 5.046 4.641 0.000 -0.000 0.000 3/51840 870.0 4.988 4.988 4.589 0.000 -0.000 0.000 3/51840 880.0 4.932 4.932 4.537 0.000 -0.000 0.000 3/51840 890.0 4.877 4.877 4.487 0.000 -0.000 0.000 3/51840 900.0 4.824 4.824 4.438 0.000 -0.000 0.000 3/51840 910.0 4.771 4.771 4.390 0.000 -0.000 0.000 3/51840 920.0 4.720 4.720 4.343 0.000 -0.000 0.000 3/51840 930.0 4.670 4.670 4.297 0.000 -0.000 0.000 3/51840 940.0 4.621 4.621 4.253 0.000 -0.000 0.000 3/51840 950.0 4.573 4.573 4.209 0.000 -0.000 0.000 3/51840 960.0 4.526 4.526 4.166 0.000 -0.000 0.000 3/51840 970.0 4.480 4.480 4.124 0.000 -0.000 0.000 3/51840 980.0 4.434 4.434 4.082 0.000 -0.000 0.000 3/51840 990.0 4.390 4.390 4.042 0.000 -0.000 0.000 3/51840 1000.0 4.347 4.347 4.002 0.000 -0.000 0.000 3/51840 Thermal conductivity related properties were written into "kappa-m121212.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:15:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|