----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:24:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.210486385000000 -8.381188220000002 0.000000000000000 b 2.210486385000000 8.381188220000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.534929300000002 Atomic positions (fractional): *1 Sr 0.46552846725602 0.53447153274398 0.73576197582602 87.620 *2 Sr 0.29685006122476 0.70314993877524 0.39272566916508 87.620 3 Sr 0.70314993877524 0.29685006122476 0.89272566916508 87.620 4 Sr 0.53447153274398 0.46552846725602 0.23576197582602 87.620 *5 Cd 0.90436659405406 0.09563340594594 0.07852548850137 112.411 6 Cd 0.09563340594594 0.90436659405406 0.57852548850137 112.411 *7 As 0.93710716098797 0.06289283901203 0.44145991094620 74.922 *8 As 0.32402829844085 0.67597170155915 0.98588593556133 74.922 9 As 0.67597170155915 0.32402829844085 0.48588593556133 74.922 10 As 0.06289283901203 0.93710716098797 0.94145991094620 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.420972770000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.762376440000004 0.000000000000000 c 0.000000000000000 0.000000000000000 7.534929300000002 Atomic positions (fractional): *1 Sr 0.00000000000000 0.53447153274398 0.73576197582602 87.620 > 1 *2 Sr 0.00000000000000 0.70314993877524 0.39272566916508 87.620 > 2 3 Sr 0.50000000000000 0.79685006122476 0.89272566916508 87.620 > 3 4 Sr 0.50000000000000 0.96552846725602 0.23576197582602 87.620 > 4 5 Sr 0.50000000000000 0.03447153274398 0.73576197582602 87.620 > 1 6 Sr 0.50000000000000 0.20314993877523 0.39272566916508 87.620 > 2 7 Sr 0.00000000000000 0.29685006122476 0.89272566916508 87.620 > 3 8 Sr 0.00000000000000 0.46552846725602 0.23576197582602 87.620 > 4 *9 Cd 0.50000000000000 0.59563340594594 0.07852548850137 112.411 > 5 10 Cd 0.00000000000000 0.90436659405406 0.57852548850137 112.411 > 6 11 Cd 0.00000000000000 0.09563340594594 0.07852548850137 112.411 > 5 12 Cd 0.50000000000000 0.40436659405406 0.57852548850137 112.411 > 6 *13 As 0.50000000000000 0.56289283901203 0.44145991094620 74.922 > 7 *14 As 0.00000000000000 0.67597170155915 0.98588593556133 74.922 > 8 15 As 0.50000000000000 0.82402829844085 0.48588593556133 74.922 > 9 16 As 0.00000000000000 0.93710716098797 0.94145991094620 74.922 > 10 17 As 0.00000000000000 0.06289283901203 0.44145991094620 74.922 > 7 18 As 0.50000000000000 0.17597170155915 0.98588593556133 74.922 > 8 19 As 0.00000000000000 0.32402829844085 0.48588593556133 74.922 > 9 20 As 0.50000000000000 0.43710716098797 0.94145991094620 74.922 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.262918310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.762376440000004 0.000000000000000 c 0.000000000000000 0.000000000000000 15.069858600000003 Atomic positions (fractional): *1 Sr 0.00000000000000 0.53447153274398 0.36788098791301 87.620 > 1 2 Sr 0.33333333333333 0.53447153274398 0.36788098791301 87.620 > 1 3 Sr 0.66666666666667 0.53447153274398 0.36788098791301 87.620 > 1 4 Sr 0.00000000000000 0.53447153274398 0.86788098791301 87.620 > 1 5 Sr 0.33333333333333 0.53447153274398 0.86788098791301 87.620 > 1 6 Sr 0.66666666666667 0.53447153274398 0.86788098791301 87.620 > 1 *7 Sr 0.00000000000000 0.70314993877524 0.19636283458254 87.620 > 2 8 Sr 0.33333333333333 0.70314993877524 0.19636283458254 87.620 > 2 9 Sr 0.66666666666667 0.70314993877524 0.19636283458254 87.620 > 2 10 Sr 0.00000000000000 0.70314993877524 0.69636283458254 87.620 > 2 11 Sr 0.33333333333333 0.70314993877524 0.69636283458254 87.620 > 2 12 Sr 0.66666666666667 0.70314993877524 0.69636283458254 87.620 > 2 13 Sr 0.16666666666667 0.79685006122476 0.44636283458254 87.620 > 3 14 Sr 0.50000000000000 0.79685006122476 0.44636283458254 87.620 > 3 15 Sr 0.83333333333333 0.79685006122476 0.44636283458254 87.620 > 3 16 Sr 0.16666666666667 0.79685006122476 0.94636283458254 87.620 > 3 17 Sr 0.50000000000000 0.79685006122476 0.94636283458254 87.620 > 3 18 Sr 0.83333333333333 0.79685006122476 0.94636283458254 87.620 > 3 19 Sr 0.16666666666667 0.96552846725602 0.11788098791301 87.620 > 4 20 Sr 0.50000000000000 0.96552846725602 0.11788098791301 87.620 > 4 21 Sr 0.83333333333333 0.96552846725602 0.11788098791301 87.620 > 4 22 Sr 0.16666666666667 0.96552846725602 0.61788098791301 87.620 > 4 23 Sr 0.50000000000000 0.96552846725602 0.61788098791301 87.620 > 4 24 Sr 0.83333333333333 0.96552846725602 0.61788098791301 87.620 > 4 25 Sr 0.16666666666667 0.03447153274398 0.36788098791301 87.620 > 1 26 Sr 0.50000000000000 0.03447153274398 0.36788098791301 87.620 > 1 27 Sr 0.83333333333333 0.03447153274398 0.36788098791301 87.620 > 1 28 Sr 0.16666666666667 0.03447153274398 0.86788098791301 87.620 > 1 29 Sr 0.50000000000000 0.03447153274398 0.86788098791301 87.620 > 1 30 Sr 0.83333333333333 0.03447153274398 0.86788098791301 87.620 > 1 31 Sr 0.16666666666667 0.20314993877523 0.19636283458254 87.620 > 2 32 Sr 0.50000000000000 0.20314993877523 0.19636283458254 87.620 > 2 33 Sr 0.83333333333333 0.20314993877523 0.19636283458254 87.620 > 2 34 Sr 0.16666666666667 0.20314993877523 0.69636283458254 87.620 > 2 35 Sr 0.50000000000000 0.20314993877523 0.69636283458254 87.620 > 2 36 Sr 0.83333333333333 0.20314993877523 0.69636283458254 87.620 > 2 37 Sr 0.00000000000000 0.29685006122476 0.44636283458254 87.620 > 3 38 Sr 0.33333333333333 0.29685006122476 0.44636283458254 87.620 > 3 39 Sr 0.66666666666667 0.29685006122476 0.44636283458254 87.620 > 3 40 Sr 0.00000000000000 0.29685006122476 0.94636283458254 87.620 > 3 41 Sr 0.33333333333333 0.29685006122476 0.94636283458254 87.620 > 3 42 Sr 0.66666666666667 0.29685006122476 0.94636283458254 87.620 > 3 43 Sr 0.00000000000000 0.46552846725602 0.11788098791301 87.620 > 4 44 Sr 0.33333333333333 0.46552846725602 0.11788098791301 87.620 > 4 45 Sr 0.66666666666667 0.46552846725602 0.11788098791301 87.620 > 4 46 Sr 0.00000000000000 0.46552846725602 0.61788098791301 87.620 > 4 47 Sr 0.33333333333333 0.46552846725602 0.61788098791301 87.620 > 4 48 Sr 0.66666666666667 0.46552846725602 0.61788098791301 87.620 > 4 *49 Cd 0.16666666666667 0.59563340594594 0.03926274425069 112.411 > 5 50 Cd 0.50000000000000 0.59563340594594 0.03926274425069 112.411 > 5 51 Cd 0.83333333333333 0.59563340594594 0.03926274425069 112.411 > 5 52 Cd 0.16666666666667 0.59563340594594 0.53926274425069 112.411 > 5 53 Cd 0.50000000000000 0.59563340594594 0.53926274425069 112.411 > 5 54 Cd 0.83333333333333 0.59563340594594 0.53926274425069 112.411 > 5 55 Cd 0.00000000000000 0.90436659405406 0.28926274425069 112.411 > 6 56 Cd 0.33333333333333 0.90436659405406 0.28926274425069 112.411 > 6 57 Cd 0.66666666666667 0.90436659405406 0.28926274425069 112.411 > 6 58 Cd 0.00000000000000 0.90436659405406 0.78926274425069 112.411 > 6 59 Cd 0.33333333333333 0.90436659405406 0.78926274425069 112.411 > 6 60 Cd 0.66666666666667 0.90436659405406 0.78926274425069 112.411 > 6 61 Cd 0.00000000000000 0.09563340594594 0.03926274425069 112.411 > 5 62 Cd 0.33333333333333 0.09563340594594 0.03926274425069 112.411 > 5 63 Cd 0.66666666666667 0.09563340594594 0.03926274425069 112.411 > 5 64 Cd 0.00000000000000 0.09563340594594 0.53926274425069 112.411 > 5 65 Cd 0.33333333333333 0.09563340594594 0.53926274425069 112.411 > 5 66 Cd 0.66666666666667 0.09563340594594 0.53926274425069 112.411 > 5 67 Cd 0.16666666666667 0.40436659405406 0.28926274425069 112.411 > 6 68 Cd 0.50000000000000 0.40436659405406 0.28926274425069 112.411 > 6 69 Cd 0.83333333333333 0.40436659405406 0.28926274425069 112.411 > 6 70 Cd 0.16666666666667 0.40436659405406 0.78926274425069 112.411 > 6 71 Cd 0.50000000000000 0.40436659405406 0.78926274425069 112.411 > 6 72 Cd 0.83333333333333 0.40436659405406 0.78926274425069 112.411 > 6 *73 As 0.16666666666667 0.56289283901203 0.22072995547310 74.922 > 7 74 As 0.50000000000000 0.56289283901203 0.22072995547310 74.922 > 7 75 As 0.83333333333333 0.56289283901203 0.22072995547310 74.922 > 7 76 As 0.16666666666667 0.56289283901203 0.72072995547310 74.922 > 7 77 As 0.50000000000000 0.56289283901203 0.72072995547310 74.922 > 7 78 As 0.83333333333333 0.56289283901203 0.72072995547310 74.922 > 7 *79 As 0.00000000000000 0.67597170155915 0.49294296778067 74.922 > 8 80 As 0.33333333333333 0.67597170155915 0.49294296778067 74.922 > 8 81 As 0.66666666666667 0.67597170155915 0.49294296778067 74.922 > 8 82 As 0.00000000000000 0.67597170155915 0.99294296778067 74.922 > 8 83 As 0.33333333333333 0.67597170155915 0.99294296778067 74.922 > 8 84 As 0.66666666666667 0.67597170155915 0.99294296778067 74.922 > 8 85 As 0.16666666666667 0.82402829844085 0.24294296778067 74.922 > 9 86 As 0.50000000000000 0.82402829844085 0.24294296778067 74.922 > 9 87 As 0.83333333333333 0.82402829844085 0.24294296778067 74.922 > 9 88 As 0.16666666666667 0.82402829844085 0.74294296778067 74.922 > 9 89 As 0.50000000000000 0.82402829844085 0.74294296778067 74.922 > 9 90 As 0.83333333333333 0.82402829844085 0.74294296778067 74.922 > 9 91 As 0.00000000000000 0.93710716098797 0.47072995547310 74.922 > 10 92 As 0.33333333333333 0.93710716098797 0.47072995547310 74.922 > 10 93 As 0.66666666666667 0.93710716098797 0.47072995547310 74.922 > 10 94 As 0.00000000000000 0.93710716098797 0.97072995547310 74.922 > 10 95 As 0.33333333333333 0.93710716098797 0.97072995547310 74.922 > 10 96 As 0.66666666666667 0.93710716098797 0.97072995547310 74.922 > 10 97 As 0.00000000000000 0.06289283901203 0.22072995547310 74.922 > 7 98 As 0.33333333333333 0.06289283901203 0.22072995547310 74.922 > 7 99 As 0.66666666666667 0.06289283901203 0.22072995547310 74.922 > 7 100 As 0.00000000000000 0.06289283901203 0.72072995547310 74.922 > 7 101 As 0.33333333333333 0.06289283901203 0.72072995547310 74.922 > 7 102 As 0.66666666666667 0.06289283901203 0.72072995547310 74.922 > 7 103 As 0.16666666666667 0.17597170155915 0.49294296778067 74.922 > 8 104 As 0.50000000000000 0.17597170155915 0.49294296778067 74.922 > 8 105 As 0.83333333333333 0.17597170155915 0.49294296778067 74.922 > 8 106 As 0.16666666666667 0.17597170155915 0.99294296778067 74.922 > 8 107 As 0.50000000000000 0.17597170155915 0.99294296778067 74.922 > 8 108 As 0.83333333333333 0.17597170155915 0.99294296778067 74.922 > 8 109 As 0.00000000000000 0.32402829844085 0.24294296778067 74.922 > 9 110 As 0.33333333333333 0.32402829844085 0.24294296778067 74.922 > 9 111 As 0.66666666666667 0.32402829844085 0.24294296778067 74.922 > 9 112 As 0.00000000000000 0.32402829844085 0.74294296778067 74.922 > 9 113 As 0.33333333333333 0.32402829844085 0.74294296778067 74.922 > 9 114 As 0.66666666666667 0.32402829844085 0.74294296778067 74.922 > 9 115 As 0.16666666666667 0.43710716098797 0.47072995547310 74.922 > 10 116 As 0.50000000000000 0.43710716098797 0.47072995547310 74.922 > 10 117 As 0.83333333333333 0.43710716098797 0.47072995547310 74.922 > 10 118 As 0.16666666666667 0.43710716098797 0.97072995547310 74.922 > 10 119 As 0.50000000000000 0.43710716098797 0.97072995547310 74.922 > 10 120 As 0.83333333333333 0.43710716098797 0.97072995547310 74.922 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.2831903 0.0000000 0.0000000 0.0000000 11.5042177 0.0000000 0.0000000 0.0000000 11.8863414 -------------------------- Born effective charges -------------------------- 1 Sr 2.4077596 0.0000000 0.0000000 0.0000000 1.2728056 0.0412252 0.0000000 0.1102896 2.5110922 2 Sr 2.3843434 0.0000000 0.0000000 0.0000000 3.2787792 0.5441388 0.0000000 0.6397916 1.7927266 3 Sr 2.3843434 0.0000000 0.0000000 0.0000000 3.2787792 -0.5441388 0.0000000 -0.6397916 1.7927266 4 Sr 2.4077596 0.0000000 0.0000000 0.0000000 1.2728056 -0.0412252 0.0000000 -0.1102896 2.5110922 5 Cd 2.0650816 0.0000000 0.0000000 0.0000000 1.5502907 -0.0893979 0.0000000 0.2311126 1.7278281 6 Cd 2.0650816 0.0000000 0.0000000 0.0000000 1.5502907 0.0893979 0.0000000 -0.2311126 1.7278281 7 As -3.1342950 0.0000000 0.0000000 0.0000000 -2.9116800 0.5015692 0.0000000 0.0010345 -3.2968826 8 As -3.7228897 0.0000000 0.0000000 0.0000000 -3.1901955 0.2977633 0.0000000 0.0523048 -2.7347642 9 As -3.7228897 0.0000000 0.0000000 0.0000000 -3.1901955 -0.2977633 0.0000000 -0.0523048 -2.7347642 10 As -3.1342950 0.0000000 0.0000000 0.0000000 -2.9116800 -0.5015692 0.0000000 -0.0010345 -3.2968826 ---------------------------------------------------------------------------- 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: 6582/6582 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1460 Number of blocks in projector: 1460 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1460, 1435), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.070 Solver_block: 200 / 320 - Time: 2.067 Solver_block: 300 / 320 - Time: 2.070 Solver_block: 320 / 320 - Time: 0.512 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.750 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 6582/6582 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1460 Number of blocks in projector: 1460 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 220 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1460, 1435), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (220, 215), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:24:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:24:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.210486385000000 -8.381188220000002 0.000000000000000 b 2.210486385000000 8.381188220000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.534929300000002 Atomic positions (fractional): 1 Sr 0.46552846725602 0.53447153274398 0.73576197582602 87.620 2 Sr 0.29685006122476 0.70314993877524 0.39272566916508 87.620 3 Sr 0.70314993877524 0.29685006122476 0.89272566916508 87.620 4 Sr 0.53447153274398 0.46552846725602 0.23576197582602 87.620 5 Cd 0.90436659405406 0.09563340594594 0.07852548850137 112.411 6 Cd 0.09563340594594 0.90436659405406 0.57852548850137 112.411 7 As 0.93710716098797 0.06289283901203 0.44145991094620 74.922 8 As 0.32402829844085 0.67597170155915 0.98588593556133 74.922 9 As 0.67597170155915 0.32402829844085 0.48588593556133 74.922 10 As 0.06289283901203 0.93710716098797 0.94145991094620 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.262918310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.762376440000004 0.000000000000000 c 0.000000000000000 0.000000000000000 15.069858600000003 Atomic positions (fractional): 1 Sr 0.00000000000000 0.53447153274398 0.36788098791301 87.620 > 1 2 Sr 0.33333333333333 0.53447153274398 0.36788098791301 87.620 > 1 3 Sr 0.66666666666667 0.53447153274398 0.36788098791301 87.620 > 1 4 Sr 0.00000000000000 0.53447153274398 0.86788098791301 87.620 > 1 5 Sr 0.33333333333333 0.53447153274398 0.86788098791301 87.620 > 1 6 Sr 0.66666666666667 0.53447153274398 0.86788098791301 87.620 > 1 7 Sr 0.00000000000000 0.70314993877524 0.19636283458254 87.620 > 7 8 Sr 0.33333333333333 0.70314993877524 0.19636283458254 87.620 > 7 9 Sr 0.66666666666667 0.70314993877524 0.19636283458254 87.620 > 7 10 Sr 0.00000000000000 0.70314993877524 0.69636283458254 87.620 > 7 11 Sr 0.33333333333333 0.70314993877524 0.69636283458254 87.620 > 7 12 Sr 0.66666666666667 0.70314993877524 0.69636283458254 87.620 > 7 13 Sr 0.16666666666667 0.79685006122476 0.44636283458254 87.620 > 13 14 Sr 0.50000000000000 0.79685006122476 0.44636283458254 87.620 > 13 15 Sr 0.83333333333333 0.79685006122476 0.44636283458254 87.620 > 13 16 Sr 0.16666666666667 0.79685006122476 0.94636283458254 87.620 > 13 17 Sr 0.50000000000000 0.79685006122476 0.94636283458254 87.620 > 13 18 Sr 0.83333333333333 0.79685006122476 0.94636283458254 87.620 > 13 19 Sr 0.16666666666667 0.96552846725602 0.11788098791301 87.620 > 19 20 Sr 0.50000000000000 0.96552846725602 0.11788098791301 87.620 > 19 21 Sr 0.83333333333333 0.96552846725602 0.11788098791301 87.620 > 19 22 Sr 0.16666666666667 0.96552846725602 0.61788098791301 87.620 > 19 23 Sr 0.50000000000000 0.96552846725602 0.61788098791301 87.620 > 19 24 Sr 0.83333333333333 0.96552846725602 0.61788098791301 87.620 > 19 25 Sr 0.16666666666667 0.03447153274398 0.36788098791301 87.620 > 1 26 Sr 0.50000000000000 0.03447153274398 0.36788098791301 87.620 > 1 27 Sr 0.83333333333333 0.03447153274398 0.36788098791301 87.620 > 1 28 Sr 0.16666666666667 0.03447153274398 0.86788098791301 87.620 > 1 29 Sr 0.50000000000000 0.03447153274398 0.86788098791301 87.620 > 1 30 Sr 0.83333333333333 0.03447153274398 0.86788098791301 87.620 > 1 31 Sr 0.16666666666667 0.20314993877523 0.19636283458254 87.620 > 7 32 Sr 0.50000000000000 0.20314993877523 0.19636283458254 87.620 > 7 33 Sr 0.83333333333333 0.20314993877523 0.19636283458254 87.620 > 7 34 Sr 0.16666666666667 0.20314993877523 0.69636283458254 87.620 > 7 35 Sr 0.50000000000000 0.20314993877523 0.69636283458254 87.620 > 7 36 Sr 0.83333333333333 0.20314993877523 0.69636283458254 87.620 > 7 37 Sr 0.00000000000000 0.29685006122476 0.44636283458254 87.620 > 13 38 Sr 0.33333333333333 0.29685006122476 0.44636283458254 87.620 > 13 39 Sr 0.66666666666667 0.29685006122476 0.44636283458254 87.620 > 13 40 Sr 0.00000000000000 0.29685006122476 0.94636283458254 87.620 > 13 41 Sr 0.33333333333333 0.29685006122476 0.94636283458254 87.620 > 13 42 Sr 0.66666666666667 0.29685006122476 0.94636283458254 87.620 > 13 43 Sr 0.00000000000000 0.46552846725602 0.11788098791301 87.620 > 19 44 Sr 0.33333333333333 0.46552846725602 0.11788098791301 87.620 > 19 45 Sr 0.66666666666667 0.46552846725602 0.11788098791301 87.620 > 19 46 Sr 0.00000000000000 0.46552846725602 0.61788098791301 87.620 > 19 47 Sr 0.33333333333333 0.46552846725602 0.61788098791301 87.620 > 19 48 Sr 0.66666666666667 0.46552846725602 0.61788098791301 87.620 > 19 49 Cd 0.16666666666667 0.59563340594594 0.03926274425069 112.411 > 49 50 Cd 0.50000000000000 0.59563340594594 0.03926274425069 112.411 > 49 51 Cd 0.83333333333333 0.59563340594594 0.03926274425069 112.411 > 49 52 Cd 0.16666666666667 0.59563340594594 0.53926274425069 112.411 > 49 53 Cd 0.50000000000000 0.59563340594594 0.53926274425069 112.411 > 49 54 Cd 0.83333333333333 0.59563340594594 0.53926274425069 112.411 > 49 55 Cd 0.00000000000000 0.90436659405406 0.28926274425069 112.411 > 55 56 Cd 0.33333333333333 0.90436659405406 0.28926274425069 112.411 > 55 57 Cd 0.66666666666667 0.90436659405406 0.28926274425069 112.411 > 55 58 Cd 0.00000000000000 0.90436659405406 0.78926274425069 112.411 > 55 59 Cd 0.33333333333333 0.90436659405406 0.78926274425069 112.411 > 55 60 Cd 0.66666666666667 0.90436659405406 0.78926274425069 112.411 > 55 61 Cd 0.00000000000000 0.09563340594594 0.03926274425069 112.411 > 49 62 Cd 0.33333333333333 0.09563340594594 0.03926274425069 112.411 > 49 63 Cd 0.66666666666667 0.09563340594594 0.03926274425069 112.411 > 49 64 Cd 0.00000000000000 0.09563340594594 0.53926274425069 112.411 > 49 65 Cd 0.33333333333333 0.09563340594594 0.53926274425069 112.411 > 49 66 Cd 0.66666666666667 0.09563340594594 0.53926274425069 112.411 > 49 67 Cd 0.16666666666667 0.40436659405406 0.28926274425069 112.411 > 55 68 Cd 0.50000000000000 0.40436659405406 0.28926274425069 112.411 > 55 69 Cd 0.83333333333333 0.40436659405406 0.28926274425069 112.411 > 55 70 Cd 0.16666666666667 0.40436659405406 0.78926274425069 112.411 > 55 71 Cd 0.50000000000000 0.40436659405406 0.78926274425069 112.411 > 55 72 Cd 0.83333333333333 0.40436659405406 0.78926274425069 112.411 > 55 73 As 0.16666666666667 0.56289283901203 0.22072995547310 74.922 > 73 74 As 0.50000000000000 0.56289283901203 0.22072995547310 74.922 > 73 75 As 0.83333333333333 0.56289283901203 0.22072995547310 74.922 > 73 76 As 0.16666666666667 0.56289283901203 0.72072995547310 74.922 > 73 77 As 0.50000000000000 0.56289283901203 0.72072995547310 74.922 > 73 78 As 0.83333333333333 0.56289283901203 0.72072995547310 74.922 > 73 79 As 0.00000000000000 0.67597170155915 0.49294296778067 74.922 > 79 80 As 0.33333333333333 0.67597170155915 0.49294296778067 74.922 > 79 81 As 0.66666666666667 0.67597170155915 0.49294296778067 74.922 > 79 82 As 0.00000000000000 0.67597170155915 0.99294296778067 74.922 > 79 83 As 0.33333333333333 0.67597170155915 0.99294296778067 74.922 > 79 84 As 0.66666666666667 0.67597170155915 0.99294296778067 74.922 > 79 85 As 0.16666666666667 0.82402829844085 0.24294296778067 74.922 > 85 86 As 0.50000000000000 0.82402829844085 0.24294296778067 74.922 > 85 87 As 0.83333333333333 0.82402829844085 0.24294296778067 74.922 > 85 88 As 0.16666666666667 0.82402829844085 0.74294296778067 74.922 > 85 89 As 0.50000000000000 0.82402829844085 0.74294296778067 74.922 > 85 90 As 0.83333333333333 0.82402829844085 0.74294296778067 74.922 > 85 91 As 0.00000000000000 0.93710716098797 0.47072995547310 74.922 > 91 92 As 0.33333333333333 0.93710716098797 0.47072995547310 74.922 > 91 93 As 0.66666666666667 0.93710716098797 0.47072995547310 74.922 > 91 94 As 0.00000000000000 0.93710716098797 0.97072995547310 74.922 > 91 95 As 0.33333333333333 0.93710716098797 0.97072995547310 74.922 > 91 96 As 0.66666666666667 0.93710716098797 0.97072995547310 74.922 > 91 97 As 0.00000000000000 0.06289283901203 0.22072995547310 74.922 > 73 98 As 0.33333333333333 0.06289283901203 0.22072995547310 74.922 > 73 99 As 0.66666666666667 0.06289283901203 0.22072995547310 74.922 > 73 100 As 0.00000000000000 0.06289283901203 0.72072995547310 74.922 > 73 101 As 0.33333333333333 0.06289283901203 0.72072995547310 74.922 > 73 102 As 0.66666666666667 0.06289283901203 0.72072995547310 74.922 > 73 103 As 0.16666666666667 0.17597170155915 0.49294296778067 74.922 > 79 104 As 0.50000000000000 0.17597170155915 0.49294296778067 74.922 > 79 105 As 0.83333333333333 0.17597170155915 0.49294296778067 74.922 > 79 106 As 0.16666666666667 0.17597170155915 0.99294296778067 74.922 > 79 107 As 0.50000000000000 0.17597170155915 0.99294296778067 74.922 > 79 108 As 0.83333333333333 0.17597170155915 0.99294296778067 74.922 > 79 109 As 0.00000000000000 0.32402829844085 0.24294296778067 74.922 > 85 110 As 0.33333333333333 0.32402829844085 0.24294296778067 74.922 > 85 111 As 0.66666666666667 0.32402829844085 0.24294296778067 74.922 > 85 112 As 0.00000000000000 0.32402829844085 0.74294296778067 74.922 > 85 113 As 0.33333333333333 0.32402829844085 0.74294296778067 74.922 > 85 114 As 0.66666666666667 0.32402829844085 0.74294296778067 74.922 > 85 115 As 0.16666666666667 0.43710716098797 0.47072995547310 74.922 > 91 116 As 0.50000000000000 0.43710716098797 0.47072995547310 74.922 > 91 117 As 0.83333333333333 0.43710716098797 0.47072995547310 74.922 > 91 118 As 0.16666666666667 0.43710716098797 0.97072995547310 74.922 > 91 119 As 0.50000000000000 0.43710716098797 0.97072995547310 74.922 > 91 120 As 0.83333333333333 0.43710716098797 0.97072995547310 74.922 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.2831903 0.0000000 0.0000000 0.0000000 11.5042177 0.0000000 0.0000000 0.0000000 11.8863414 -------------------------- Born effective charges -------------------------- 1 Sr 2.4077596 0.0000000 0.0000000 0.0000000 1.2728056 0.0412252 0.0000000 0.1102896 2.5110922 2 Sr 2.3843434 0.0000000 0.0000000 0.0000000 3.2787792 0.5441388 0.0000000 0.6397916 1.7927266 3 Sr 2.3843434 0.0000000 0.0000000 0.0000000 3.2787792 -0.5441388 0.0000000 -0.6397916 1.7927266 4 Sr 2.4077596 0.0000000 0.0000000 0.0000000 1.2728056 -0.0412252 0.0000000 -0.1102896 2.5110922 5 Cd 2.0650816 0.0000000 0.0000000 0.0000000 1.5502907 -0.0893979 0.0000000 0.2311126 1.7278281 6 Cd 2.0650816 0.0000000 0.0000000 0.0000000 1.5502907 0.0893979 0.0000000 -0.2311126 1.7278281 7 As -3.1342950 0.0000000 0.0000000 0.0000000 -2.9116800 0.5015692 0.0000000 0.0010345 -3.2968826 8 As -3.7228897 0.0000000 0.0000000 0.0000000 -3.1901955 0.2977633 0.0000000 0.0523048 -2.7347642 9 As -3.7228897 0.0000000 0.0000000 0.0000000 -3.1901955 -0.2977633 0.0000000 -0.0523048 -2.7347642 10 As -3.1342950 0.0000000 0.0000000 0.0000000 -2.9116800 -0.5015692 0.0000000 -0.0010345 -3.2968826 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:25:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:25:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.210486385000000 -8.381188220000002 0.000000000000000 b 2.210486385000000 8.381188220000002 0.000000000000000 c 0.000000000000000 0.000000000000000 7.534929300000002 Atomic positions (fractional): 1 Sr 0.46552846725602 0.53447153274398 0.73576197582602 87.620 2 Sr 0.29685006122476 0.70314993877524 0.39272566916508 87.620 3 Sr 0.70314993877524 0.29685006122476 0.89272566916508 87.620 4 Sr 0.53447153274398 0.46552846725602 0.23576197582602 87.620 5 Cd 0.90436659405406 0.09563340594594 0.07852548850137 112.411 6 Cd 0.09563340594594 0.90436659405406 0.57852548850137 112.411 7 As 0.93710716098797 0.06289283901203 0.44145991094620 74.922 8 As 0.32402829844085 0.67597170155915 0.98588593556133 74.922 9 As 0.67597170155915 0.32402829844085 0.48588593556133 74.922 10 As 0.06289283901203 0.93710716098797 0.94145991094620 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.262918310000000 0.000000000000000 0.000000000000000 b 0.000000000000000 16.762376440000004 0.000000000000000 c 0.000000000000000 0.000000000000000 15.069858600000003 Atomic positions (fractional): 1 Sr 0.00000000000000 0.53447153274398 0.36788098791301 87.620 > 1 2 Sr 0.33333333333333 0.53447153274398 0.36788098791301 87.620 > 1 3 Sr 0.66666666666667 0.53447153274398 0.36788098791301 87.620 > 1 4 Sr 0.00000000000000 0.53447153274398 0.86788098791301 87.620 > 1 5 Sr 0.33333333333333 0.53447153274398 0.86788098791301 87.620 > 1 6 Sr 0.66666666666667 0.53447153274398 0.86788098791301 87.620 > 1 7 Sr 0.00000000000000 0.70314993877524 0.19636283458254 87.620 > 7 8 Sr 0.33333333333333 0.70314993877524 0.19636283458254 87.620 > 7 9 Sr 0.66666666666667 0.70314993877524 0.19636283458254 87.620 > 7 10 Sr 0.00000000000000 0.70314993877524 0.69636283458254 87.620 > 7 11 Sr 0.33333333333333 0.70314993877524 0.69636283458254 87.620 > 7 12 Sr 0.66666666666667 0.70314993877524 0.69636283458254 87.620 > 7 13 Sr 0.16666666666667 0.79685006122476 0.44636283458254 87.620 > 13 14 Sr 0.50000000000000 0.79685006122476 0.44636283458254 87.620 > 13 15 Sr 0.83333333333333 0.79685006122476 0.44636283458254 87.620 > 13 16 Sr 0.16666666666667 0.79685006122476 0.94636283458254 87.620 > 13 17 Sr 0.50000000000000 0.79685006122476 0.94636283458254 87.620 > 13 18 Sr 0.83333333333333 0.79685006122476 0.94636283458254 87.620 > 13 19 Sr 0.16666666666667 0.96552846725602 0.11788098791301 87.620 > 19 20 Sr 0.50000000000000 0.96552846725602 0.11788098791301 87.620 > 19 21 Sr 0.83333333333333 0.96552846725602 0.11788098791301 87.620 > 19 22 Sr 0.16666666666667 0.96552846725602 0.61788098791301 87.620 > 19 23 Sr 0.50000000000000 0.96552846725602 0.61788098791301 87.620 > 19 24 Sr 0.83333333333333 0.96552846725602 0.61788098791301 87.620 > 19 25 Sr 0.16666666666667 0.03447153274398 0.36788098791301 87.620 > 1 26 Sr 0.50000000000000 0.03447153274398 0.36788098791301 87.620 > 1 27 Sr 0.83333333333333 0.03447153274398 0.36788098791301 87.620 > 1 28 Sr 0.16666666666667 0.03447153274398 0.86788098791301 87.620 > 1 29 Sr 0.50000000000000 0.03447153274398 0.86788098791301 87.620 > 1 30 Sr 0.83333333333333 0.03447153274398 0.86788098791301 87.620 > 1 31 Sr 0.16666666666667 0.20314993877523 0.19636283458254 87.620 > 7 32 Sr 0.50000000000000 0.20314993877523 0.19636283458254 87.620 > 7 33 Sr 0.83333333333333 0.20314993877523 0.19636283458254 87.620 > 7 34 Sr 0.16666666666667 0.20314993877523 0.69636283458254 87.620 > 7 35 Sr 0.50000000000000 0.20314993877523 0.69636283458254 87.620 > 7 36 Sr 0.83333333333333 0.20314993877523 0.69636283458254 87.620 > 7 37 Sr 0.00000000000000 0.29685006122476 0.44636283458254 87.620 > 13 38 Sr 0.33333333333333 0.29685006122476 0.44636283458254 87.620 > 13 39 Sr 0.66666666666667 0.29685006122476 0.44636283458254 87.620 > 13 40 Sr 0.00000000000000 0.29685006122476 0.94636283458254 87.620 > 13 41 Sr 0.33333333333333 0.29685006122476 0.94636283458254 87.620 > 13 42 Sr 0.66666666666667 0.29685006122476 0.94636283458254 87.620 > 13 43 Sr 0.00000000000000 0.46552846725602 0.11788098791301 87.620 > 19 44 Sr 0.33333333333333 0.46552846725602 0.11788098791301 87.620 > 19 45 Sr 0.66666666666667 0.46552846725602 0.11788098791301 87.620 > 19 46 Sr 0.00000000000000 0.46552846725602 0.61788098791301 87.620 > 19 47 Sr 0.33333333333333 0.46552846725602 0.61788098791301 87.620 > 19 48 Sr 0.66666666666667 0.46552846725602 0.61788098791301 87.620 > 19 49 Cd 0.16666666666667 0.59563340594594 0.03926274425069 112.411 > 49 50 Cd 0.50000000000000 0.59563340594594 0.03926274425069 112.411 > 49 51 Cd 0.83333333333333 0.59563340594594 0.03926274425069 112.411 > 49 52 Cd 0.16666666666667 0.59563340594594 0.53926274425069 112.411 > 49 53 Cd 0.50000000000000 0.59563340594594 0.53926274425069 112.411 > 49 54 Cd 0.83333333333333 0.59563340594594 0.53926274425069 112.411 > 49 55 Cd 0.00000000000000 0.90436659405406 0.28926274425069 112.411 > 55 56 Cd 0.33333333333333 0.90436659405406 0.28926274425069 112.411 > 55 57 Cd 0.66666666666667 0.90436659405406 0.28926274425069 112.411 > 55 58 Cd 0.00000000000000 0.90436659405406 0.78926274425069 112.411 > 55 59 Cd 0.33333333333333 0.90436659405406 0.78926274425069 112.411 > 55 60 Cd 0.66666666666667 0.90436659405406 0.78926274425069 112.411 > 55 61 Cd 0.00000000000000 0.09563340594594 0.03926274425069 112.411 > 49 62 Cd 0.33333333333333 0.09563340594594 0.03926274425069 112.411 > 49 63 Cd 0.66666666666667 0.09563340594594 0.03926274425069 112.411 > 49 64 Cd 0.00000000000000 0.09563340594594 0.53926274425069 112.411 > 49 65 Cd 0.33333333333333 0.09563340594594 0.53926274425069 112.411 > 49 66 Cd 0.66666666666667 0.09563340594594 0.53926274425069 112.411 > 49 67 Cd 0.16666666666667 0.40436659405406 0.28926274425069 112.411 > 55 68 Cd 0.50000000000000 0.40436659405406 0.28926274425069 112.411 > 55 69 Cd 0.83333333333333 0.40436659405406 0.28926274425069 112.411 > 55 70 Cd 0.16666666666667 0.40436659405406 0.78926274425069 112.411 > 55 71 Cd 0.50000000000000 0.40436659405406 0.78926274425069 112.411 > 55 72 Cd 0.83333333333333 0.40436659405406 0.78926274425069 112.411 > 55 73 As 0.16666666666667 0.56289283901203 0.22072995547310 74.922 > 73 74 As 0.50000000000000 0.56289283901203 0.22072995547310 74.922 > 73 75 As 0.83333333333333 0.56289283901203 0.22072995547310 74.922 > 73 76 As 0.16666666666667 0.56289283901203 0.72072995547310 74.922 > 73 77 As 0.50000000000000 0.56289283901203 0.72072995547310 74.922 > 73 78 As 0.83333333333333 0.56289283901203 0.72072995547310 74.922 > 73 79 As 0.00000000000000 0.67597170155915 0.49294296778067 74.922 > 79 80 As 0.33333333333333 0.67597170155915 0.49294296778067 74.922 > 79 81 As 0.66666666666667 0.67597170155915 0.49294296778067 74.922 > 79 82 As 0.00000000000000 0.67597170155915 0.99294296778067 74.922 > 79 83 As 0.33333333333333 0.67597170155915 0.99294296778067 74.922 > 79 84 As 0.66666666666667 0.67597170155915 0.99294296778067 74.922 > 79 85 As 0.16666666666667 0.82402829844085 0.24294296778067 74.922 > 85 86 As 0.50000000000000 0.82402829844085 0.24294296778067 74.922 > 85 87 As 0.83333333333333 0.82402829844085 0.24294296778067 74.922 > 85 88 As 0.16666666666667 0.82402829844085 0.74294296778067 74.922 > 85 89 As 0.50000000000000 0.82402829844085 0.74294296778067 74.922 > 85 90 As 0.83333333333333 0.82402829844085 0.74294296778067 74.922 > 85 91 As 0.00000000000000 0.93710716098797 0.47072995547310 74.922 > 91 92 As 0.33333333333333 0.93710716098797 0.47072995547310 74.922 > 91 93 As 0.66666666666667 0.93710716098797 0.47072995547310 74.922 > 91 94 As 0.00000000000000 0.93710716098797 0.97072995547310 74.922 > 91 95 As 0.33333333333333 0.93710716098797 0.97072995547310 74.922 > 91 96 As 0.66666666666667 0.93710716098797 0.97072995547310 74.922 > 91 97 As 0.00000000000000 0.06289283901203 0.22072995547310 74.922 > 73 98 As 0.33333333333333 0.06289283901203 0.22072995547310 74.922 > 73 99 As 0.66666666666667 0.06289283901203 0.22072995547310 74.922 > 73 100 As 0.00000000000000 0.06289283901203 0.72072995547310 74.922 > 73 101 As 0.33333333333333 0.06289283901203 0.72072995547310 74.922 > 73 102 As 0.66666666666667 0.06289283901203 0.72072995547310 74.922 > 73 103 As 0.16666666666667 0.17597170155915 0.49294296778067 74.922 > 79 104 As 0.50000000000000 0.17597170155915 0.49294296778067 74.922 > 79 105 As 0.83333333333333 0.17597170155915 0.49294296778067 74.922 > 79 106 As 0.16666666666667 0.17597170155915 0.99294296778067 74.922 > 79 107 As 0.50000000000000 0.17597170155915 0.99294296778067 74.922 > 79 108 As 0.83333333333333 0.17597170155915 0.99294296778067 74.922 > 79 109 As 0.00000000000000 0.32402829844085 0.24294296778067 74.922 > 85 110 As 0.33333333333333 0.32402829844085 0.24294296778067 74.922 > 85 111 As 0.66666666666667 0.32402829844085 0.24294296778067 74.922 > 85 112 As 0.00000000000000 0.32402829844085 0.74294296778067 74.922 > 85 113 As 0.33333333333333 0.32402829844085 0.74294296778067 74.922 > 85 114 As 0.66666666666667 0.32402829844085 0.74294296778067 74.922 > 85 115 As 0.16666666666667 0.43710716098797 0.47072995547310 74.922 > 91 116 As 0.50000000000000 0.43710716098797 0.47072995547310 74.922 > 91 117 As 0.83333333333333 0.43710716098797 0.47072995547310 74.922 > 91 118 As 0.16666666666667 0.43710716098797 0.97072995547310 74.922 > 91 119 As 0.50000000000000 0.43710716098797 0.97072995547310 74.922 > 91 120 As 0.83333333333333 0.43710716098797 0.97072995547310 74.922 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.2831903 0.0000000 0.0000000 0.0000000 11.5042177 0.0000000 0.0000000 0.0000000 11.8863414 -------------------------- Born effective charges -------------------------- 1 Sr 2.4077596 0.0000000 0.0000000 0.0000000 1.2728056 0.0412252 0.0000000 0.1102896 2.5110922 2 Sr 2.3843434 0.0000000 0.0000000 0.0000000 3.2787792 0.5441388 0.0000000 0.6397916 1.7927266 3 Sr 2.3843434 0.0000000 0.0000000 0.0000000 3.2787792 -0.5441388 0.0000000 -0.6397916 1.7927266 4 Sr 2.4077596 0.0000000 0.0000000 0.0000000 1.2728056 -0.0412252 0.0000000 -0.1102896 2.5110922 5 Cd 2.0650816 0.0000000 0.0000000 0.0000000 1.5502907 -0.0893979 0.0000000 0.2311126 1.7278281 6 Cd 2.0650816 0.0000000 0.0000000 0.0000000 1.5502907 0.0893979 0.0000000 -0.2311126 1.7278281 7 As -3.1342950 0.0000000 0.0000000 0.0000000 -2.9116800 0.5015692 0.0000000 0.0010345 -3.2968826 8 As -3.7228897 0.0000000 0.0000000 0.0000000 -3.1901955 0.2977633 0.0000000 0.0523048 -2.7347642 9 As -3.7228897 0.0000000 0.0000000 0.0000000 -3.1901955 -0.2977633 0.0000000 -0.0523048 -2.7347642 10 As -3.1342950 0.0000000 0.0000000 0.0000000 -2.9116800 -0.5015692 0.0000000 -0.0010345 -3.2968826 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 12 12 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.64, Number of G-points: 301, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 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 2.017 ( 0.000 0.000 -0.000) 0.000 2.099 ( 0.000 0.000 0.000) 0.000 2.109 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.776 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 -0.000) 0.000 3.054 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.782 ( 0.000 0.000 -0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 -0.000) 0.000 4.274 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 -0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 -0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 25.160 1.614 0.000) 25.212 0.492 ( 24.176 -4.951 0.000) 24.678 0.821 ( 39.125 -12.329 0.000) 41.022 1.999 ( -1.820 -0.345 0.000) 1.853 2.082 ( -0.912 2.341 0.000) 2.512 2.191 ( 7.977 0.889 0.000) 8.026 2.336 ( -1.219 -0.482 0.000) 1.311 2.540 ( 1.043 0.105 0.000) 1.048 2.608 ( 5.021 6.501 0.000) 8.214 2.721 ( -1.799 -4.237 0.000) 4.603 2.791 ( -0.793 -2.864 0.000) 2.972 2.937 ( -1.947 1.876 0.000) 2.704 3.067 ( 0.513 -1.773 0.000) 1.846 3.146 ( 6.197 -1.084 0.000) 6.291 3.344 ( -1.804 0.427 0.000) 1.854 3.733 ( -0.017 9.722 0.000) 9.722 3.818 ( 0.083 -4.666 0.000) 4.667 3.908 ( 3.398 -8.779 0.000) 9.414 4.199 ( -1.254 5.157 0.000) 5.307 4.267 ( -1.765 -3.079 0.000) 3.549 4.329 ( -1.644 -0.054 0.000) 1.645 4.587 ( 0.593 -1.527 0.000) 1.638 4.658 ( -2.750 -1.332 0.000) 3.056 4.714 ( -0.906 1.648 0.000) 1.881 4.818 ( 1.803 0.860 0.000) 1.997 4.894 ( -0.211 -5.191 0.000) 5.195 5.196 ( -4.185 1.945 0.000) 4.615 5.393 ( -1.102 -2.905 0.000) 3.107 5.533 ( 4.484 -0.024 0.000) 4.484 6.086 ( 1.858 5.681 0.000) 5.977 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 24.098 2.182 0.000) 24.196 0.960 ( 23.089 -3.381 0.000) 23.335 1.564 ( 31.401 -10.548 0.000) 33.125 1.969 ( 0.031 0.565 0.000) 0.566 2.045 ( -1.137 4.259 0.000) 4.408 2.329 ( 2.531 1.239 0.000) 2.818 2.358 ( 6.369 -0.652 0.000) 6.402 2.577 ( 2.476 0.921 0.000) 2.642 2.611 ( 0.197 3.095 0.000) 3.101 2.757 ( 1.737 2.653 0.000) 3.171 2.801 ( 1.940 -7.221 0.000) 7.477 2.916 ( 0.141 -0.930 0.000) 0.941 3.070 ( -2.112 -3.285 0.000) 3.905 3.264 ( 5.155 -0.473 0.000) 5.177 3.315 ( -0.102 1.298 0.000) 1.302 3.704 ( 1.230 7.022 0.000) 7.129 3.821 ( -2.234 -2.968 0.000) 3.715 4.015 ( 4.248 -1.524 0.000) 4.513 4.154 ( -0.595 2.781 0.000) 2.844 4.240 ( -2.277 -1.885 0.000) 2.956 4.305 ( -0.722 -1.006 0.000) 1.238 4.596 ( -2.303 -3.051 0.000) 3.823 4.609 ( -1.684 -2.174 0.000) 2.750 4.666 ( -3.327 1.290 0.000) 3.569 4.855 ( 2.722 2.687 0.000) 3.825 4.927 ( 1.788 -2.228 0.000) 2.857 5.112 ( -3.062 1.443 0.000) 3.385 5.383 ( -1.573 -3.069 0.000) 3.449 5.623 ( 4.699 0.428 0.000) 4.719 6.088 ( 0.665 3.800 0.000) 3.858 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 21.930 3.606 0.000) 22.224 1.388 ( 20.698 -1.821 0.000) 20.778 1.849 ( 0.180 2.254 0.000) 2.262 2.007 ( -0.445 3.682 0.000) 3.709 2.160 ( 12.112 -4.778 0.000) 13.020 2.368 ( 2.323 0.224 0.000) 2.334 2.444 ( 1.428 -1.070 0.000) 1.785 2.560 ( -1.142 0.648 0.000) 1.313 2.732 ( 6.699 0.550 0.000) 6.722 2.778 ( 8.653 0.418 0.000) 8.663 2.901 ( 3.602 -4.885 0.000) 6.069 2.951 ( 1.447 -3.618 0.000) 3.896 3.039 ( -0.089 -2.377 0.000) 2.378 3.323 ( 1.307 -0.323 0.000) 1.347 3.337 ( 1.888 -0.515 0.000) 1.957 3.684 ( -2.886 0.946 0.000) 3.037 3.769 ( -2.328 2.703 0.000) 3.567 4.059 ( 1.659 3.344 0.000) 3.733 4.157 ( 0.137 -0.696 0.000) 0.709 4.197 ( -2.550 -0.025 0.000) 2.551 4.331 ( 2.992 -1.215 0.000) 3.229 4.536 ( -3.687 -0.168 0.000) 3.691 4.586 ( -3.306 0.786 0.000) 3.399 4.629 ( 1.185 -2.851 0.000) 3.087 4.881 ( 1.002 1.474 0.000) 1.782 4.984 ( 2.933 -0.696 0.000) 3.014 5.089 ( 1.593 0.202 0.000) 1.605 5.361 ( -2.228 -1.970 0.000) 2.974 5.691 ( 2.578 0.687 0.000) 2.668 6.065 ( -1.226 3.937 0.000) 4.123 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 16.973 4.531 0.000) 17.567 1.745 ( 15.599 0.315 0.000) 15.602 1.821 ( 0.847 4.354 0.000) 4.435 1.999 ( 1.239 1.714 0.000) 2.115 2.264 ( 0.380 -1.617 0.000) 1.661 2.402 ( 1.239 1.160 0.000) 1.698 2.438 ( -0.543 1.515 0.000) 1.609 2.534 ( -2.331 -1.246 0.000) 2.643 2.730 ( -4.321 -6.008 0.000) 7.401 2.907 ( -0.438 -4.790 0.000) 4.810 2.956 ( 1.104 -1.787 0.000) 2.100 3.108 ( 7.503 -0.149 0.000) 7.504 3.204 ( 15.457 2.199 0.000) 15.613 3.343 ( 0.624 -0.667 0.000) 0.913 3.394 ( 6.175 -4.020 0.000) 7.369 3.561 ( -8.277 0.064 0.000) 8.277 3.726 ( -2.810 -1.310 0.000) 3.100 4.058 ( -0.473 2.795 0.000) 2.834 4.125 ( -2.451 1.989 0.000) 3.157 4.182 ( 1.628 0.824 0.000) 1.824 4.419 ( 5.044 -0.952 0.000) 5.133 4.467 ( -2.505 1.370 0.000) 2.855 4.551 ( -0.291 -0.271 0.000) 0.398 4.686 ( 3.106 -1.828 0.000) 3.604 4.881 ( -0.493 0.510 0.000) 0.710 5.025 ( 1.541 0.141 0.000) 1.547 5.171 ( 6.282 0.044 0.000) 6.282 5.310 ( -3.982 -0.525 0.000) 4.016 5.710 ( -0.289 0.205 0.000) 0.354 6.001 ( -3.320 4.271 0.000) 5.410 ======================= Grid point 5 (6/172) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.351 2.688 0.000) 2.711 1.914 ( 5.091 0.242 0.000) 5.097 1.998 ( 9.954 3.909 0.000) 10.694 2.066 ( 8.121 3.362 0.000) 8.789 2.252 ( -1.740 -1.585 0.000) 2.354 2.404 ( 0.540 2.629 0.000) 2.684 2.435 ( 0.190 1.421 0.000) 1.434 2.486 ( -3.277 -2.912 0.000) 4.384 2.657 ( -5.803 -7.068 0.000) 9.145 2.905 ( -0.761 -3.219 0.000) 3.308 3.032 ( 4.940 -0.844 0.000) 5.011 3.194 ( 1.405 1.248 0.000) 1.879 3.276 ( -1.315 2.060 0.000) 2.444 3.358 ( 0.806 0.012 0.000) 0.806 3.426 ( -4.102 -0.263 0.000) 4.111 3.643 ( 8.871 -3.116 0.000) 9.402 3.666 ( -2.587 -1.461 0.000) 2.971 4.021 ( -1.898 -0.381 0.000) 1.936 4.083 ( -0.274 4.422 0.000) 4.431 4.240 ( 3.067 -2.445 0.000) 3.922 4.439 ( 1.478 1.307 0.000) 1.973 4.523 ( 4.364 -0.695 0.000) 4.419 4.575 ( 3.003 0.078 0.000) 3.004 4.746 ( 2.143 -0.763 0.000) 2.275 4.846 ( -3.547 0.333 0.000) 3.562 5.047 ( 0.868 0.280 0.000) 0.912 5.212 ( -4.186 0.719 0.000) 4.247 5.306 ( 5.955 0.412 0.000) 5.969 5.687 ( -2.021 -1.021 0.000) 2.264 5.910 ( -3.636 3.614 0.000) 5.126 ======================= Grid point 6 (7/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 0.000 -0.000 0.000) 0.000 1.946 ( 0.000 -0.000 0.000) 0.000 2.086 ( 0.000 -0.000 0.000) 0.000 2.166 ( 0.000 -0.000 0.000) 0.000 2.239 ( -0.000 -0.000 0.000) 0.000 2.383 ( 0.000 -0.000 0.000) 0.000 2.442 ( 0.000 -0.000 0.000) 0.000 2.458 ( 0.000 -0.000 0.000) 0.000 2.614 ( 0.000 -0.000 0.000) 0.000 2.915 ( 0.000 -0.000 0.000) 0.000 3.106 ( 0.000 -0.000 0.000) 0.000 3.149 ( 0.000 -0.000 0.000) 0.000 3.272 ( 0.000 -0.000 0.000) 0.000 3.370 ( 0.000 -0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.625 ( 0.000 -0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 4.008 ( 0.000 -0.000 0.000) 0.000 4.067 ( 0.000 -0.000 0.000) 0.000 4.275 ( 0.000 -0.000 0.000) 0.000 4.467 ( 0.000 -0.000 0.000) 0.000 4.572 ( 0.000 -0.000 0.000) 0.000 4.652 ( 0.000 -0.000 0.000) 0.000 4.758 ( 0.000 -0.000 0.000) 0.000 4.773 ( 0.000 -0.000 0.000) 0.000 5.054 ( 0.000 -0.000 0.000) 0.000 5.162 ( 0.000 -0.000 0.000) 0.000 5.374 ( 0.000 -0.000 0.000) 0.000 5.664 ( 0.000 -0.000 0.000) 0.000 5.859 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/172) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 24.341 -0.000 0.000) 24.341 0.940 ( 23.855 -0.000 0.000) 23.855 1.507 ( 33.663 -0.000 0.000) 33.663 1.972 ( -0.022 0.000 0.000) 0.022 2.067 ( -1.349 0.000 0.000) 1.349 2.333 ( 0.952 -0.000 0.000) 0.952 2.357 ( 7.603 -0.000 0.000) 7.603 2.581 ( 3.886 -0.000 0.000) 3.886 2.641 ( -3.711 0.000 0.000) 3.711 2.746 ( 5.814 -0.000 0.000) 5.814 2.777 ( 0.846 -0.000 0.000) 0.846 2.912 ( -0.813 0.000 0.000) 0.813 3.052 ( -2.119 0.000 0.000) 2.119 3.262 ( 5.355 -0.000 0.000) 5.355 3.322 ( -0.314 0.000 0.000) 0.314 3.756 ( -2.248 0.000 0.000) 2.248 3.790 ( 0.787 -0.000 0.000) 0.787 4.002 ( 5.911 -0.000 0.000) 5.911 4.186 ( -1.747 0.000 0.000) 1.747 4.214 ( -2.015 0.000 0.000) 2.015 4.304 ( -0.579 0.000 0.000) 0.579 4.578 ( -0.131 0.000 0.000) 0.131 4.600 ( -3.153 0.000 0.000) 3.153 4.673 ( -3.200 0.000 0.000) 3.200 4.872 ( 2.033 -0.000 0.000) 2.033 4.913 ( 2.713 -0.000 0.000) 2.713 5.119 ( -3.621 0.000 0.000) 3.621 5.367 ( -1.013 0.000 0.000) 1.013 5.625 ( 4.769 -0.000 0.000) 4.769 6.108 ( 0.085 -0.000 0.000) 0.085 ======================= Grid point 15 (9/172) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 21.921 1.625 0.000) 21.981 1.377 ( 21.880 -0.369 0.000) 21.883 1.858 ( 2.575 0.046 0.000) 2.575 2.034 ( -1.527 1.485 0.000) 2.130 2.125 ( 13.205 -1.933 0.000) 13.345 2.368 ( 2.508 -0.169 0.000) 2.513 2.438 ( 1.440 -0.151 0.000) 1.448 2.571 ( -2.712 1.024 0.000) 2.899 2.731 ( 11.193 -0.561 0.000) 11.207 2.791 ( -0.564 1.641 0.000) 1.736 2.865 ( 7.852 -2.128 0.000) 8.135 2.918 ( 0.839 -2.269 0.000) 2.419 3.023 ( 1.341 -0.793 0.000) 1.558 3.325 ( 1.169 0.542 0.000) 1.289 3.331 ( 1.132 -0.667 0.000) 1.314 3.687 ( -5.010 0.025 0.000) 5.010 3.789 ( -1.583 1.149 0.000) 1.956 4.077 ( 1.661 0.494 0.000) 1.733 4.164 ( 0.504 1.546 0.000) 1.626 4.190 ( -1.420 -1.239 0.000) 1.884 4.322 ( 2.627 -0.482 0.000) 2.670 4.540 ( -2.680 0.753 0.000) 2.783 4.579 ( -2.091 -1.492 0.000) 2.568 4.618 ( 0.005 0.049 0.000) 0.050 4.891 ( 0.396 0.597 0.000) 0.716 4.978 ( 3.493 -0.305 0.000) 3.506 5.090 ( 1.228 0.079 0.000) 1.230 5.347 ( -1.547 -0.761 0.000) 1.724 5.696 ( 2.507 0.257 0.000) 2.521 6.092 ( -1.465 1.446 0.000) 2.058 ======================= Grid point 16 (10/172) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 16.728 2.839 0.000) 16.968 1.747 ( 16.376 0.277 0.000) 16.378 1.859 ( 0.723 3.050 0.000) 3.134 2.014 ( 1.117 1.204 0.000) 1.642 2.243 ( 0.285 -2.224 0.000) 2.242 2.412 ( 1.986 0.825 0.000) 2.150 2.451 ( 0.570 0.869 0.000) 1.039 2.525 ( -2.675 -0.577 0.000) 2.736 2.685 ( -7.519 -2.901 0.000) 8.060 2.866 ( 1.135 -3.129 0.000) 3.328 2.938 ( 2.188 -1.734 0.000) 2.792 3.111 ( 6.729 0.503 0.000) 6.748 3.227 ( 20.681 2.221 0.000) 20.800 3.338 ( 0.945 -0.430 0.000) 1.038 3.357 ( 3.134 -3.012 0.000) 4.346 3.561 ( -8.193 -0.178 0.000) 8.195 3.717 ( -5.363 -0.596 0.000) 5.396 4.068 ( -2.226 0.055 0.000) 2.226 4.152 ( -0.746 2.621 0.000) 2.726 4.187 ( 0.823 0.203 0.000) 0.848 4.407 ( 5.495 -1.126 0.000) 5.609 4.489 ( -1.859 2.812 0.000) 3.371 4.542 ( -0.814 -1.697 0.000) 1.882 4.672 ( 3.738 -0.892 0.000) 3.843 4.885 ( -0.782 0.347 0.000) 0.856 5.026 ( 1.699 0.074 0.000) 1.700 5.171 ( 6.563 0.049 0.000) 6.563 5.305 ( -3.439 -0.418 0.000) 3.465 5.712 ( -0.672 0.168 0.000) 0.693 6.035 ( -3.611 2.416 0.000) 4.345 ======================= Grid point 17 (11/172) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -0.177 3.892 0.000) 3.896 1.912 ( 3.307 -0.685 0.000) 3.377 2.031 ( 10.888 2.584 0.000) 11.190 2.101 ( 8.092 3.800 0.000) 8.939 2.231 ( -1.634 -2.827 0.000) 3.265 2.421 ( -3.391 0.423 0.000) 3.418 2.445 ( -2.211 -1.093 0.000) 2.466 2.461 ( -0.966 -0.376 0.000) 1.037 2.607 ( -0.964 -2.688 0.000) 2.856 2.874 ( -0.211 -2.803 0.000) 2.811 3.025 ( 5.305 -0.705 0.000) 5.352 3.203 ( 2.405 0.663 0.000) 2.495 3.297 ( -2.273 2.113 0.000) 3.104 3.358 ( 1.027 -0.041 0.000) 1.028 3.422 ( -4.487 -0.430 0.000) 4.508 3.594 ( -2.510 -4.550 0.000) 5.196 3.673 ( 10.744 0.864 0.000) 10.779 4.016 ( -2.484 -0.519 0.000) 2.537 4.123 ( -1.045 3.354 0.000) 3.513 4.219 ( 2.750 -1.626 0.000) 3.195 4.455 ( -0.052 1.795 0.000) 1.795 4.515 ( 4.714 -0.833 0.000) 4.787 4.571 ( 3.139 -0.820 0.000) 3.245 4.739 ( 2.585 -0.523 0.000) 2.638 4.849 ( -3.435 0.283 0.000) 3.447 5.050 ( 0.833 0.207 0.000) 0.858 5.220 ( -4.162 0.759 0.000) 4.230 5.308 ( 6.258 0.036 0.000) 6.258 5.679 ( -2.294 -0.500 0.000) 2.347 5.940 ( -4.666 2.456 0.000) 5.272 ======================= Grid point 18 (12/172) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -0.616 2.574 0.000) 2.646 1.945 ( 0.610 -0.370 0.000) 0.714 2.083 ( -3.427 -0.463 0.000) 3.459 2.157 ( -5.824 -1.890 0.000) 6.123 2.238 ( 2.174 -0.156 0.000) 2.179 2.376 ( 1.856 -1.955 0.000) 2.696 2.412 ( -2.825 -2.509 0.000) 3.778 2.469 ( 1.420 0.470 0.000) 1.496 2.652 ( 5.690 6.332 0.000) 8.513 2.908 ( 1.914 -1.344 0.000) 2.338 3.107 ( 2.438 0.331 0.000) 2.460 3.156 ( -3.765 1.172 0.000) 3.943 3.269 ( -0.516 -0.587 0.000) 0.782 3.370 ( -0.040 -0.066 0.000) 0.077 3.393 ( 0.142 0.943 0.000) 0.954 3.575 ( 0.502 -7.640 0.000) 7.657 3.780 ( 1.317 5.660 0.000) 5.811 4.003 ( 0.607 -1.007 0.000) 1.176 4.072 ( -3.003 0.976 0.000) 3.158 4.280 ( 2.179 0.929 0.000) 2.368 4.461 ( -0.065 -1.009 0.000) 1.012 4.571 ( 0.398 -0.213 0.000) 0.451 4.651 ( 0.585 -0.192 0.000) 0.615 4.758 ( -1.095 0.042 0.000) 1.095 4.772 ( 0.048 -0.251 0.000) 0.256 5.055 ( -0.187 0.062 0.000) 0.197 5.164 ( -0.528 0.313 0.000) 0.614 5.373 ( -0.638 -0.168 0.000) 0.660 5.665 ( 1.407 0.189 0.000) 1.419 5.859 ( -2.513 -0.062 0.000) 2.514 ======================= Grid point 19 (13/172) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -1.659 -0.525 0.000) 1.740 1.908 ( -8.075 -0.865 0.000) 8.122 1.957 ( -9.229 -4.126 0.000) 10.109 2.033 ( -5.964 -3.393 0.000) 6.862 2.264 ( 1.115 0.770 0.000) 1.355 2.374 ( -1.846 -3.027 0.000) 3.545 2.428 ( 1.230 -0.192 0.000) 1.245 2.508 ( 2.773 1.427 0.000) 3.118 2.738 ( 7.063 8.681 0.000) 11.191 2.934 ( 1.582 2.214 0.000) 2.721 3.045 ( -4.983 1.937 0.000) 5.347 3.177 ( 0.260 -2.043 0.000) 2.060 3.258 ( -0.021 -1.538 0.000) 1.538 3.359 ( -0.621 0.173 0.000) 0.645 3.427 ( 3.347 -0.102 0.000) 3.349 3.632 ( -2.850 -2.722 0.000) 3.941 3.723 ( -0.069 6.960 0.000) 6.960 4.015 ( -2.194 -2.668 0.000) 3.455 4.046 ( 2.405 -1.950 0.000) 3.096 4.267 ( -3.716 2.854 0.000) 4.685 4.430 ( -2.333 -0.533 0.000) 2.393 4.526 ( -4.365 -0.348 0.000) 4.378 4.572 ( -2.717 -0.238 0.000) 2.727 4.753 ( -1.656 0.636 0.000) 1.774 4.842 ( 3.808 -0.309 0.000) 3.820 5.044 ( -0.939 -0.273 0.000) 0.978 5.206 ( 4.338 -0.455 0.000) 4.362 5.300 ( -5.908 -0.746 0.000) 5.955 5.700 ( 1.720 1.716 0.000) 2.429 5.870 ( 2.397 -4.209 0.000) 4.843 ======================= Grid point 20 (14/172) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( -16.646 -4.438 0.000) 17.227 1.740 ( -13.315 -0.834 0.000) 13.341 1.779 ( -2.813 -3.876 0.000) 4.790 1.982 ( -1.980 -1.791 0.000) 2.670 2.272 ( -0.431 0.102 0.000) 0.443 2.387 ( 0.846 -1.983 0.000) 2.156 2.428 ( 0.048 -0.229 0.000) 0.234 2.548 ( 1.972 1.313 0.000) 2.368 2.797 ( 1.448 7.111 0.000) 7.257 2.945 ( 0.715 1.572 0.000) 1.727 2.981 ( 1.119 4.148 0.000) 4.297 3.117 ( -6.496 1.601 0.000) 6.690 3.186 ( -12.561 -1.165 0.000) 12.614 3.351 ( -0.035 0.990 0.000) 0.991 3.432 ( -6.156 3.364 0.000) 7.016 3.562 ( 6.806 0.428 0.000) 6.820 3.741 ( -0.333 1.546 0.000) 1.581 4.007 ( -1.268 -6.943 0.000) 7.058 4.119 ( 4.001 0.331 0.000) 4.014 4.171 ( -2.546 -1.388 0.000) 2.899 4.421 ( -3.391 -0.329 0.000) 3.407 4.463 ( 1.597 0.229 0.000) 1.614 4.553 ( 0.368 0.539 0.000) 0.652 4.705 ( -2.294 1.928 0.000) 2.996 4.876 ( 0.100 -0.441 0.000) 0.452 5.024 ( -1.348 -0.200 0.000) 1.363 5.170 ( -6.043 -0.048 0.000) 6.043 5.314 ( 4.821 0.318 0.000) 4.832 5.708 ( -0.358 -0.051 0.000) 0.361 5.953 ( 3.020 -5.109 0.000) 5.934 ======================= Grid point 21 (15/172) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -20.466 -2.225 0.000) 20.587 1.412 ( -19.139 2.796 0.000) 19.343 1.808 ( 0.999 -5.949 0.000) 6.032 1.965 ( -1.290 -4.601 0.000) 4.778 2.207 ( -8.448 4.002 0.000) 9.348 2.366 ( -2.321 0.232 0.000) 2.333 2.458 ( 0.316 1.332 0.000) 1.369 2.562 ( 0.057 0.841 0.000) 0.843 2.731 ( -5.114 0.908 0.000) 5.194 2.783 ( -16.163 1.529 0.000) 16.236 2.955 ( -0.068 5.479 0.000) 5.479 2.983 ( -3.253 2.759 0.000) 4.266 3.068 ( 2.197 3.312 0.000) 3.974 3.334 ( -1.675 2.118 0.000) 2.700 3.342 ( -3.169 0.337 0.000) 3.187 3.662 ( -1.943 -3.687 0.000) 4.168 3.740 ( 4.556 -2.781 0.000) 5.337 4.013 ( -1.461 -5.541 0.000) 5.730 4.175 ( 1.179 2.365 0.000) 2.642 4.192 ( 3.268 -0.942 0.000) 3.402 4.343 ( -2.895 1.101 0.000) 3.097 4.539 ( 4.796 -0.250 0.000) 4.803 4.579 ( 2.765 0.389 0.000) 2.793 4.664 ( -0.343 3.702 0.000) 3.717 4.864 ( -1.865 -1.790 0.000) 2.585 4.991 ( -2.140 0.759 0.000) 2.271 5.087 ( -2.135 -0.255 0.000) 2.150 5.384 ( 3.357 2.467 0.000) 4.166 5.683 ( -2.680 -0.889 0.000) 2.824 6.018 ( 0.879 -5.367 0.000) 5.439 ======================= Grid point 22 (16/172) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -21.628 1.518 0.000) 21.681 1.007 ( -21.139 5.965 0.000) 21.964 1.688 ( -24.418 12.460 0.000) 27.413 1.961 ( -2.250 -0.606 0.000) 2.330 1.987 ( 0.625 -7.101 0.000) 7.128 2.311 ( -4.934 -1.824 0.000) 5.261 2.372 ( -5.143 2.019 0.000) 5.525 2.566 ( -0.039 -0.797 0.000) 0.798 2.598 ( -3.695 -0.158 0.000) 3.698 2.720 ( -0.279 -4.269 0.000) 4.278 2.868 ( -2.908 5.083 0.000) 5.856 2.938 ( -0.587 3.847 0.000) 3.891 3.108 ( 1.487 3.876 0.000) 4.151 3.276 ( -4.259 1.977 0.000) 4.695 3.295 ( -0.677 -2.829 0.000) 2.909 3.630 ( -2.989 -7.722 0.000) 8.280 3.837 ( 3.171 0.209 0.000) 3.178 4.005 ( -1.928 -3.648 0.000) 4.126 4.159 ( 0.014 3.520 0.000) 3.520 4.241 ( 1.045 -1.019 0.000) 1.460 4.329 ( 2.262 3.093 0.000) 3.832 4.621 ( 3.990 1.867 0.000) 4.405 4.647 ( 2.159 1.794 0.000) 2.807 4.653 ( 2.412 2.104 0.000) 3.201 4.825 ( -3.304 -3.245 0.000) 4.631 4.952 ( -0.345 2.777 0.000) 2.798 5.094 ( 1.983 -1.837 0.000) 2.703 5.423 ( 2.794 4.748 0.000) 5.509 5.617 ( -4.484 -0.619 0.000) 4.527 6.037 ( -1.824 -6.068 0.000) 6.337 ======================= Grid point 23 (17/172) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -18.758 9.401 0.000) 20.982 0.570 ( -20.194 10.586 0.000) 22.801 1.011 ( -32.681 23.602 0.000) 40.313 1.997 ( 2.052 -2.397 0.000) 3.155 2.045 ( 1.761 -3.866 0.000) 4.249 2.174 ( -8.066 -2.352 0.000) 8.402 2.340 ( 1.357 0.026 0.000) 1.357 2.531 ( -4.209 -2.599 0.000) 4.947 2.556 ( -1.936 -1.727 0.000) 2.594 2.739 ( 0.935 -0.350 0.000) 0.998 2.839 ( 1.391 4.256 0.000) 4.478 2.917 ( -0.444 -0.491 0.000) 0.662 3.085 ( -1.317 1.336 0.000) 1.876 3.172 ( -4.307 4.071 0.000) 5.926 3.335 ( 2.471 -1.390 0.000) 2.835 3.640 ( 0.056 -9.311 0.000) 9.311 3.837 ( -2.057 0.830 0.000) 2.218 3.997 ( 1.747 3.835 0.000) 4.214 4.165 ( 1.492 0.462 0.000) 1.562 4.268 ( 1.507 -1.569 0.000) 2.176 4.356 ( 2.091 4.685 0.000) 5.130 4.599 ( -5.394 0.058 0.000) 5.395 4.682 ( 2.511 2.944 0.000) 3.869 4.696 ( 0.717 -0.943 0.000) 1.185 4.809 ( 1.179 -0.852 0.000) 1.455 4.969 ( 6.321 8.560 0.000) 10.640 5.167 ( 4.222 -3.170 0.000) 5.279 5.441 ( 1.938 6.194 0.000) 6.490 5.533 ( -4.124 0.097 0.000) 4.125 6.000 ( -7.418 -9.890 0.000) 12.363 ======================= Grid point 24 (18/172) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.207 ( 0.000 20.911 0.000) 20.911 0.256 ( 0.000 25.635 0.000) 25.635 0.378 ( 0.000 37.646 0.000) 37.646 2.029 ( 0.000 1.640 0.000) 1.640 2.080 ( -0.000 -4.422 0.000) 4.422 2.100 ( -0.000 -2.097 0.000) 2.097 2.370 ( 0.000 2.380 0.000) 2.380 2.489 ( -0.000 -7.868 0.000) 7.868 2.543 ( 0.000 0.318 0.000) 0.318 2.756 ( -0.000 -0.001 0.000) 0.001 2.818 ( 0.000 6.928 0.000) 6.928 2.940 ( -0.000 -6.375 0.000) 6.375 3.064 ( 0.000 0.497 0.000) 0.497 3.111 ( 0.000 5.303 0.000) 5.303 3.365 ( -0.000 -0.073 0.000) 0.073 3.729 ( -0.000 -9.754 0.000) 9.754 3.806 ( 0.000 0.413 0.000) 0.413 4.084 ( -0.000 -4.179 0.000) 4.179 4.203 ( -0.000 -1.917 0.000) 1.917 4.331 ( 0.000 7.382 0.000) 7.382 4.360 ( 0.000 2.081 0.000) 2.081 4.394 ( -0.000 -0.474 0.000) 0.474 4.686 ( 0.000 0.652 0.000) 0.652 4.708 ( 0.000 1.520 0.000) 1.520 4.835 ( -0.000 -0.615 0.000) 0.615 5.141 ( -0.000 -1.750 0.000) 1.750 5.397 ( 0.000 0.431 0.000) 0.431 5.476 ( -0.000 -0.150 0.000) 0.150 5.487 ( 0.000 0.743 0.000) 0.743 5.652 ( 0.000 2.984 0.000) 2.984 ======================= Grid point 27 (19/172) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 17.289 -0.000 0.000) 17.289 1.751 ( 15.733 -0.000 0.000) 15.733 1.876 ( 0.905 -0.000 0.000) 0.905 2.021 ( 1.323 -0.000 0.000) 1.323 2.230 ( 0.111 -0.000 0.000) 0.111 2.416 ( 2.229 -0.000 0.000) 2.229 2.455 ( 1.266 -0.000 0.000) 1.266 2.522 ( -2.833 0.000 0.000) 2.833 2.671 ( -9.197 0.000 0.000) 9.197 2.850 ( 1.939 -0.000 0.000) 1.939 2.928 ( 2.637 -0.000 0.000) 2.637 3.114 ( 6.223 -0.000 0.000) 6.223 3.240 ( 25.141 -0.000 0.000) 25.141 3.333 ( -0.212 0.000 0.000) 0.212 3.343 ( 0.833 -0.000 0.000) 0.833 3.560 ( -8.050 0.000 0.000) 8.050 3.714 ( -6.341 0.000 0.000) 6.341 4.068 ( -2.485 0.000 0.000) 2.485 4.166 ( -0.704 0.000 0.000) 0.704 4.187 ( 0.715 -0.000 0.000) 0.715 4.401 ( 5.646 -0.000 0.000) 5.646 4.518 ( 0.344 -0.000 0.000) 0.344 4.519 ( -2.888 0.000 0.000) 2.888 4.668 ( 3.906 -0.000 0.000) 3.906 4.887 ( -0.888 0.000 0.000) 0.888 5.027 ( 1.760 -0.000 0.000) 1.760 5.172 ( 6.696 -0.000 0.000) 6.696 5.302 ( -3.262 0.000 0.000) 3.262 5.713 ( -0.799 0.000 0.000) 0.799 6.047 ( -3.727 0.000 0.000) 3.727 ======================= Grid point 28 (20/172) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -0.072 2.869 0.000) 2.870 1.900 ( 2.170 -1.443 0.000) 2.606 2.048 ( 12.182 0.847 0.000) 12.211 2.141 ( 7.964 3.773 0.000) 8.813 2.197 ( -1.938 -3.492 0.000) 3.994 2.407 ( -10.541 -1.581 0.000) 10.659 2.444 ( 0.552 0.823 0.000) 0.991 2.461 ( -1.411 -0.370 0.000) 1.458 2.597 ( 4.106 -0.008 0.000) 4.106 2.854 ( -0.226 -1.161 0.000) 1.183 3.019 ( 5.861 -0.386 0.000) 5.874 3.207 ( 2.590 0.273 0.000) 2.605 3.314 ( -2.358 0.998 0.000) 2.561 3.357 ( 1.004 -0.139 0.000) 1.013 3.419 ( -4.443 -0.195 0.000) 4.447 3.562 ( -5.900 -1.718 0.000) 6.145 3.679 ( 14.684 0.274 0.000) 14.686 4.012 ( -2.639 -0.217 0.000) 2.648 4.147 ( -1.540 1.283 0.000) 2.004 4.208 ( 2.576 -0.612 0.000) 2.648 4.471 ( -1.661 1.065 0.000) 1.973 4.509 ( 5.006 -0.380 0.000) 5.020 4.562 ( 3.760 -0.725 0.000) 3.829 4.736 ( 2.800 -0.165 0.000) 2.805 4.851 ( -3.410 0.114 0.000) 3.412 5.051 ( 0.818 0.076 0.000) 0.822 5.226 ( -4.282 0.346 0.000) 4.296 5.307 ( 6.622 -0.060 0.000) 6.622 5.676 ( -2.448 -0.144 0.000) 2.452 5.957 ( -5.249 0.871 0.000) 5.321 ======================= Grid point 29 (21/172) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -1.048 3.537 0.000) 3.689 1.938 ( 1.505 -1.041 0.000) 1.830 2.077 ( -5.721 -0.743 0.000) 5.769 2.134 ( -11.479 -2.230 0.000) 11.693 2.236 ( 4.209 -0.154 0.000) 4.212 2.351 ( 4.317 -2.149 0.000) 4.822 2.403 ( -2.915 -0.061 0.000) 2.916 2.469 ( 1.593 -0.188 0.000) 1.604 2.717 ( 8.077 5.858 0.000) 9.978 2.890 ( 3.053 -2.138 0.000) 3.727 3.112 ( 3.092 0.690 0.000) 3.168 3.167 ( -4.660 0.860 0.000) 4.738 3.264 ( -1.309 -0.238 0.000) 1.331 3.369 ( 0.100 -0.054 0.000) 0.114 3.407 ( -0.650 1.902 0.000) 2.010 3.499 ( 1.421 -6.957 0.000) 7.100 3.829 ( 2.436 3.717 0.000) 4.444 3.992 ( 0.345 -1.020 0.000) 1.076 4.082 ( -4.782 0.860 0.000) 4.858 4.292 ( 4.314 1.166 0.000) 4.468 4.449 ( -0.696 -1.247 0.000) 1.428 4.569 ( 0.761 -0.206 0.000) 0.788 4.649 ( 1.116 -0.185 0.000) 1.132 4.759 ( -2.133 0.073 0.000) 2.134 4.769 ( 0.255 -0.274 0.000) 0.374 5.055 ( -0.311 0.057 0.000) 0.316 5.167 ( -0.919 0.317 0.000) 0.972 5.371 ( -1.096 -0.171 0.000) 1.109 5.667 ( 2.485 0.189 0.000) 2.492 5.858 ( -4.402 -0.063 0.000) 4.402 ======================= Grid point 30 (22/172) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -3.477 1.685 0.000) 3.864 1.890 ( -13.247 -3.288 0.000) 13.649 1.927 ( -6.473 -1.450 0.000) 6.633 2.000 ( -2.687 -3.059 0.000) 4.072 2.269 ( 0.366 0.324 0.000) 0.489 2.349 ( -2.005 -1.895 0.000) 2.759 2.429 ( 1.950 0.295 0.000) 1.973 2.516 ( 2.852 0.376 0.000) 2.876 2.819 ( 6.459 7.305 0.000) 9.751 2.947 ( 1.930 0.538 0.000) 2.004 3.070 ( -4.709 2.842 0.000) 5.501 3.155 ( 1.280 -2.091 0.000) 2.452 3.245 ( -0.580 -0.967 0.000) 1.128 3.360 ( -0.713 0.106 0.000) 0.721 3.425 ( 3.018 -0.237 0.000) 3.027 3.602 ( 3.270 -3.019 0.000) 4.450 3.791 ( -2.516 6.662 0.000) 7.121 3.973 ( -5.666 -4.913 0.000) 7.499 4.041 ( 3.704 0.159 0.000) 3.707 4.294 ( -5.098 2.411 0.000) 5.639 4.428 ( -1.830 0.169 0.000) 1.838 4.516 ( -5.227 -1.532 0.000) 5.447 4.573 ( -1.671 0.358 0.000) 1.709 4.757 ( -1.356 0.264 0.000) 1.382 4.840 ( 4.176 -0.239 0.000) 4.183 5.042 ( -1.042 -0.194 0.000) 1.060 5.203 ( 4.473 -0.201 0.000) 4.478 5.292 ( -6.051 -0.731 0.000) 6.095 5.721 ( 1.593 2.495 0.000) 2.960 5.828 ( 1.164 -4.251 0.000) 4.407 ======================= Grid point 31 (23/172) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -15.420 -3.255 0.000) 15.760 1.723 ( -8.176 -2.445 0.000) 8.534 1.752 ( -8.506 -1.401 0.000) 8.621 1.965 ( -2.960 -1.489 0.000) 3.313 2.270 ( -0.372 -0.333 0.000) 0.500 2.365 ( 2.246 -2.226 0.000) 3.162 2.432 ( -0.430 0.850 0.000) 0.952 2.558 ( 1.772 0.735 0.000) 1.918 2.861 ( -2.322 5.050 0.000) 5.558 2.948 ( 1.881 0.154 0.000) 1.887 3.027 ( 1.947 4.157 0.000) 4.590 3.134 ( -3.009 1.091 0.000) 3.201 3.188 ( -10.342 2.318 0.000) 10.599 3.359 ( 0.666 0.346 0.000) 0.751 3.458 ( -3.132 1.948 0.000) 3.689 3.574 ( 2.091 1.912 0.000) 2.833 3.755 ( -3.044 1.185 0.000) 3.267 3.930 ( -1.837 -8.048 0.000) 8.255 4.123 ( 2.664 0.420 0.000) 2.697 4.156 ( -1.708 -1.418 0.000) 2.219 4.417 ( -2.762 -0.339 0.000) 2.782 4.463 ( 0.950 -0.387 0.000) 1.025 4.566 ( 1.297 2.016 0.000) 2.397 4.722 ( -1.629 1.261 0.000) 2.060 4.873 ( -0.286 -0.246 0.000) 0.377 5.021 ( -1.185 -0.230 0.000) 1.208 5.170 ( -5.910 -0.103 0.000) 5.910 5.316 ( 5.727 0.043 0.000) 5.727 5.709 ( -1.258 0.213 0.000) 1.276 5.903 ( 2.939 -4.664 0.000) 5.513 ======================= Grid point 32 (24/172) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -17.508 0.791 0.000) 17.525 1.442 ( -17.065 3.174 0.000) 17.358 1.735 ( -0.220 -8.439 0.000) 8.442 1.918 ( -3.146 -4.700 0.000) 5.656 2.236 ( -4.640 2.062 0.000) 5.077 2.373 ( -1.884 0.899 0.000) 2.088 2.464 ( 2.929 0.058 0.000) 2.930 2.572 ( -0.010 1.017 0.000) 1.017 2.744 ( -6.077 0.922 0.000) 6.147 2.821 ( -19.957 6.612 0.000) 21.024 3.000 ( 1.238 3.156 0.000) 3.390 3.006 ( -4.146 2.103 0.000) 4.648 3.106 ( 3.613 4.706 0.000) 5.933 3.344 ( -4.667 0.268 0.000) 4.675 3.363 ( -2.254 3.391 0.000) 4.071 3.611 ( -6.080 -6.466 0.000) 8.876 3.713 ( 5.062 -2.743 0.000) 5.758 3.956 ( -0.150 -5.690 0.000) 5.692 4.178 ( 4.307 -1.273 0.000) 4.491 4.202 ( 1.917 2.511 0.000) 3.159 4.351 ( -2.467 0.452 0.000) 2.508 4.528 ( 4.182 -1.592 0.000) 4.475 4.599 ( 3.600 3.065 0.000) 4.728 4.699 ( 0.525 3.135 0.000) 3.178 4.847 ( -2.760 -1.612 0.000) 3.196 4.998 ( -1.313 0.589 0.000) 1.439 5.084 ( -2.629 -0.220 0.000) 2.639 5.408 ( 4.636 2.243 0.000) 5.150 5.674 ( -2.727 -0.792 0.000) 2.840 5.963 ( 0.530 -5.399 0.000) 5.425 ======================= Grid point 33 (25/172) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -16.521 7.388 0.000) 18.098 1.076 ( -18.424 7.720 0.000) 19.976 1.756 ( -7.795 -1.387 0.000) 7.918 1.906 ( -1.303 -8.311 0.000) 8.413 1.992 ( -12.315 8.068 0.000) 14.722 2.307 ( -5.517 1.337 0.000) 5.677 2.396 ( -6.466 2.763 0.000) 7.032 2.564 ( 0.431 0.336 0.000) 0.547 2.600 ( -3.826 0.294 0.000) 3.837 2.679 ( -0.590 -3.667 0.000) 3.714 2.901 ( -4.629 2.184 0.000) 5.119 2.984 ( -0.472 4.386 0.000) 4.412 3.144 ( -0.429 3.344 0.000) 3.372 3.256 ( -1.543 -4.681 0.000) 4.929 3.307 ( -2.989 3.912 0.000) 4.923 3.554 ( -3.302 -7.247 0.000) 7.964 3.824 ( 3.707 -3.041 0.000) 4.795 3.962 ( -1.906 -4.052 0.000) 4.478 4.201 ( 0.673 4.007 0.000) 4.063 4.232 ( 0.922 -0.401 0.000) 1.005 4.357 ( 3.371 2.300 0.000) 4.081 4.616 ( 3.398 -2.152 0.000) 4.022 4.659 ( 3.157 2.350 0.000) 3.936 4.703 ( 1.495 4.769 0.000) 4.997 4.795 ( -2.836 -2.439 0.000) 3.740 4.981 ( 1.365 2.967 0.000) 3.266 5.078 ( 1.131 -1.467 0.000) 1.852 5.472 ( 4.121 4.970 0.000) 6.456 5.612 ( -4.047 -0.294 0.000) 4.058 5.973 ( -2.735 -6.600 0.000) 7.144 ======================= Grid point 34 (26/172) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -9.464 17.732 0.000) 20.100 0.696 ( -14.795 14.288 0.000) 20.568 1.261 ( -26.538 25.661 0.000) 36.915 1.934 ( 0.180 -8.854 0.000) 8.856 2.005 ( 3.685 -6.278 0.000) 7.280 2.161 ( -6.951 0.740 0.000) 6.990 2.338 ( 0.075 -0.248 0.000) 0.259 2.510 ( -6.248 -1.060 0.000) 6.337 2.556 ( -0.633 0.652 0.000) 0.909 2.723 ( 2.041 -2.754 0.000) 3.428 2.846 ( -0.544 -1.268 0.000) 1.379 2.946 ( -1.569 4.332 0.000) 4.608 3.095 ( -1.626 0.915 0.000) 1.866 3.212 ( -3.901 2.686 0.000) 4.736 3.319 ( 3.676 -1.209 0.000) 3.869 3.550 ( -0.948 -8.303 0.000) 8.357 3.844 ( -1.999 0.475 0.000) 2.055 3.971 ( 0.808 -6.510 0.000) 6.560 4.198 ( 1.047 3.650 0.000) 3.797 4.263 ( 3.141 1.049 0.000) 3.312 4.402 ( 2.444 4.065 0.000) 4.743 4.584 ( -8.320 -2.653 0.000) 8.733 4.696 ( 1.933 0.371 0.000) 1.969 4.711 ( 1.464 2.690 0.000) 3.063 4.806 ( 2.220 0.584 0.000) 2.295 5.043 ( 7.142 5.289 0.000) 8.887 5.145 ( 6.873 -0.572 0.000) 6.897 5.508 ( 2.398 6.712 0.000) 7.128 5.535 ( -3.641 0.490 0.000) 3.674 5.909 ( -8.953 -7.899 0.000) 11.939 ======================= Grid point 35 (27/172) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 0.000 20.240 0.000) 20.240 0.508 ( 0.000 25.000 0.000) 25.000 0.747 ( 0.000 36.523 0.000) 36.523 1.988 ( -0.000 -8.881 0.000) 8.881 2.062 ( -0.000 -5.930 0.000) 5.930 2.087 ( 0.000 4.935 0.000) 4.935 2.393 ( 0.000 1.997 0.000) 1.997 2.409 ( -0.000 -7.457 0.000) 7.457 2.547 ( 0.000 0.555 0.000) 0.555 2.753 ( -0.000 -0.665 0.000) 0.665 2.876 ( -0.000 -6.014 0.000) 6.014 2.888 ( 0.000 6.465 0.000) 6.465 3.074 ( 0.000 1.793 0.000) 1.793 3.158 ( 0.000 3.560 0.000) 3.560 3.363 ( -0.000 -0.282 0.000) 0.282 3.611 ( -0.000 -12.623 0.000) 12.623 3.812 ( 0.000 0.767 0.000) 0.767 4.024 ( -0.000 -7.451 0.000) 7.451 4.201 ( 0.000 1.126 0.000) 1.126 4.372 ( 0.000 1.444 0.000) 1.444 4.387 ( -0.000 -0.843 0.000) 0.843 4.411 ( 0.000 6.510 0.000) 6.510 4.701 ( 0.000 2.267 0.000) 2.267 4.723 ( 0.000 1.154 0.000) 1.154 4.829 ( -0.000 -0.361 0.000) 0.361 5.118 ( -0.000 -2.584 0.000) 2.584 5.405 ( 0.000 1.204 0.000) 1.204 5.475 ( 0.000 0.090 0.000) 0.090 5.495 ( 0.000 0.934 0.000) 0.934 5.690 ( 0.000 4.499 0.000) 4.499 ======================= Grid point 40 (28/172) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -1.312 0.000 0.000) 1.312 1.930 ( 2.175 -0.000 0.000) 2.175 2.072 ( -6.609 0.000 0.000) 6.609 2.122 ( -13.725 0.000 0.000) 13.725 2.236 ( 5.087 -0.000 0.000) 5.087 2.340 ( 5.216 -0.000 0.000) 5.216 2.404 ( -2.951 0.000 0.000) 2.951 2.468 ( 1.755 -0.000 0.000) 1.755 2.750 ( 9.022 -0.000 0.000) 9.022 2.876 ( 3.111 -0.000 0.000) 3.111 3.117 ( 3.198 -0.000 0.000) 3.198 3.171 ( -4.426 0.000 0.000) 4.426 3.264 ( -1.868 0.000 0.000) 1.868 3.369 ( 0.173 -0.000 0.000) 0.173 3.427 ( -4.939 0.000 0.000) 4.939 3.452 ( 5.609 -0.000 0.000) 5.609 3.848 ( 2.993 -0.000 0.000) 2.993 3.986 ( 0.037 -0.000 0.000) 0.037 4.087 ( -5.383 0.000 0.000) 5.383 4.298 ( 5.416 -0.000 0.000) 5.416 4.442 ( -1.263 0.000 0.000) 1.263 4.568 ( 0.919 -0.000 0.000) 0.919 4.648 ( 1.348 -0.000 0.000) 1.348 4.759 ( -2.750 0.000 0.000) 2.750 4.767 ( 0.545 -0.000 0.000) 0.545 5.056 ( -0.352 0.000 0.000) 0.352 5.169 ( -1.063 0.000 0.000) 1.063 5.370 ( -1.260 0.000 0.000) 1.260 5.668 ( 2.898 -0.000 0.000) 2.898 5.858 ( -5.111 0.000 0.000) 5.111 ======================= Grid point 41 (29/172) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( -4.462 2.568 0.000) 5.148 1.852 ( -14.019 -3.415 0.000) 14.429 1.923 ( -8.405 0.097 0.000) 8.406 1.976 ( 0.552 -1.433 0.000) 1.536 2.271 ( -0.073 0.088 0.000) 0.115 2.337 ( -2.051 -0.601 0.000) 2.137 2.432 ( 2.306 0.186 0.000) 2.313 2.518 ( 2.931 0.008 0.000) 2.931 2.874 ( 5.206 3.253 0.000) 6.139 2.947 ( 2.553 -0.306 0.000) 2.571 3.093 ( -4.222 1.247 0.000) 4.402 3.140 ( 1.021 -0.793 0.000) 1.293 3.239 ( -0.406 -0.292 0.000) 0.500 3.360 ( -0.995 -0.077 0.000) 0.998 3.423 ( 3.473 -0.074 0.000) 3.474 3.578 ( 6.233 -1.401 0.000) 6.389 3.851 ( -1.844 4.830 0.000) 5.170 3.925 ( -8.504 -4.194 0.000) 9.482 4.043 ( 3.699 0.103 0.000) 3.700 4.311 ( -6.729 0.955 0.000) 6.797 4.432 ( -0.062 0.329 0.000) 0.335 4.501 ( -6.505 -0.979 0.000) 6.578 4.577 ( -0.755 0.266 0.000) 0.800 4.759 ( -1.272 0.026 0.000) 1.272 4.838 ( 4.451 -0.092 0.000) 4.452 5.041 ( -1.126 -0.069 0.000) 1.128 5.202 ( 4.527 -0.049 0.000) 4.528 5.287 ( -6.197 -0.304 0.000) 6.204 5.749 ( 2.488 3.072 0.000) 3.953 5.788 ( -0.526 -3.699 0.000) 3.736 ======================= Grid point 42 (30/172) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -13.890 -1.638 0.000) 13.986 1.700 ( -8.011 -1.842 0.000) 8.220 1.744 ( -9.705 -0.372 0.000) 9.712 1.953 ( -3.747 -0.850 0.000) 3.843 2.268 ( -0.065 -0.117 0.000) 0.134 2.346 ( 2.445 -1.392 0.000) 2.813 2.441 ( -0.363 0.749 0.000) 0.833 2.562 ( 1.713 0.163 0.000) 1.721 2.891 ( -6.483 1.219 0.000) 6.597 2.957 ( 4.273 1.405 0.000) 4.498 3.057 ( 0.427 1.876 0.000) 1.924 3.135 ( -2.559 -0.415 0.000) 2.593 3.230 ( -3.150 4.970 0.000) 5.884 3.354 ( 0.769 -1.491 0.000) 1.678 3.477 ( -0.115 2.116 0.000) 2.119 3.591 ( -4.209 1.094 0.000) 4.349 3.766 ( -2.881 1.274 0.000) 3.150 3.856 ( -3.237 -6.355 0.000) 7.132 4.124 ( -2.997 -0.374 0.000) 3.020 4.146 ( 3.635 -0.420 0.000) 3.659 4.415 ( -3.431 -0.119 0.000) 3.433 4.457 ( 1.436 -0.555 0.000) 1.540 4.588 ( 2.135 1.946 0.000) 2.889 4.730 ( -1.195 0.447 0.000) 1.276 4.871 ( -0.559 -0.082 0.000) 0.565 5.019 ( -1.090 -0.173 0.000) 1.104 5.169 ( -5.841 -0.115 0.000) 5.842 5.316 ( 6.399 -0.067 0.000) 6.399 5.712 ( -2.272 0.322 0.000) 2.294 5.865 ( 3.212 -2.879 0.000) 4.314 ======================= Grid point 43 (31/172) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -13.371 3.615 0.000) 13.851 1.471 ( -14.730 2.296 0.000) 14.908 1.649 ( -3.332 -8.328 0.000) 8.969 1.875 ( -4.932 -3.831 0.000) 6.245 2.253 ( -2.300 1.530 0.000) 2.762 2.378 ( -0.874 -0.101 0.000) 0.880 2.464 ( 3.614 0.020 0.000) 3.614 2.580 ( 0.259 0.416 0.000) 0.491 2.748 ( -7.289 -0.012 0.000) 7.289 2.901 ( -19.015 8.371 0.000) 20.776 3.018 ( -0.317 0.804 0.000) 0.864 3.023 ( -2.512 1.111 0.000) 2.746 3.166 ( 3.362 7.123 0.000) 7.877 3.347 ( -6.314 0.240 0.000) 6.319 3.392 ( -3.217 1.658 0.000) 3.619 3.538 ( -7.032 -7.571 0.000) 10.333 3.688 ( 2.524 -2.005 0.000) 3.223 3.905 ( 2.187 -4.358 0.000) 4.876 4.166 ( 5.113 -0.985 0.000) 5.207 4.224 ( 2.506 1.798 0.000) 3.085 4.353 ( -2.118 -0.003 0.000) 2.118 4.514 ( 3.884 -1.021 0.000) 4.016 4.629 ( 3.463 2.693 0.000) 4.387 4.725 ( 1.462 2.102 0.000) 2.560 4.833 ( -3.478 -1.076 0.000) 3.640 5.002 ( -0.644 0.298 0.000) 0.710 5.082 ( -2.898 -0.115 0.000) 2.900 5.427 ( 5.752 1.509 0.000) 5.946 5.668 ( -2.629 -0.473 0.000) 2.671 5.915 ( 0.190 -4.016 0.000) 4.021 ======================= Grid point 44 (32/172) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -10.639 12.022 0.000) 16.054 1.156 ( -15.388 7.986 0.000) 17.336 1.677 ( -0.637 -12.236 0.000) 12.253 1.826 ( -3.038 -7.692 0.000) 8.270 2.096 ( -12.684 10.445 0.000) 16.431 2.333 ( -4.082 3.180 0.000) 5.175 2.430 ( -10.422 4.324 0.000) 11.284 2.569 ( 0.803 0.491 0.000) 0.941 2.603 ( -3.760 0.586 0.000) 3.806 2.652 ( -2.273 -1.826 0.000) 2.915 2.919 ( -5.808 1.484 0.000) 5.995 3.013 ( -1.007 1.514 0.000) 1.818 3.160 ( -7.980 -2.930 0.000) 8.501 3.220 ( 2.205 0.343 0.000) 2.231 3.344 ( -2.183 2.899 0.000) 3.629 3.494 ( -1.813 -4.259 0.000) 4.629 3.779 ( 3.461 -5.584 0.000) 6.569 3.933 ( -1.401 -1.899 0.000) 2.360 4.224 ( 0.450 0.762 0.000) 0.885 4.242 ( 1.781 2.149 0.000) 2.792 4.373 ( 4.075 0.999 0.000) 4.195 4.596 ( 3.147 -1.601 0.000) 3.530 4.672 ( 0.155 -0.231 0.000) 0.278 4.740 ( 0.032 2.830 0.000) 2.831 4.785 ( 0.846 0.713 0.000) 1.107 5.008 ( 2.785 2.287 0.000) 3.603 5.067 ( 0.941 -0.586 0.000) 1.108 5.516 ( 4.803 3.591 0.000) 5.997 5.615 ( -2.784 0.934 0.000) 2.936 5.910 ( -3.353 -5.895 0.000) 6.782 ======================= Grid point 45 (33/172) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -8.987 16.287 0.000) 18.602 0.858 ( -5.315 19.129 0.000) 19.854 1.501 ( -18.669 20.920 0.000) 28.039 1.837 ( -0.839 -10.330 0.000) 10.364 1.921 ( 0.151 -8.610 0.000) 8.612 2.186 ( -4.790 3.316 0.000) 5.826 2.338 ( -1.208 0.238 0.000) 1.232 2.504 ( -7.194 -0.471 0.000) 7.209 2.564 ( -0.685 0.815 0.000) 1.065 2.689 ( 2.480 -3.797 0.000) 4.535 2.835 ( -2.046 -0.916 0.000) 2.242 2.978 ( -1.987 1.902 0.000) 2.751 3.095 ( -0.591 -2.262 0.000) 2.338 3.211 ( -4.036 -1.325 0.000) 4.248 3.326 ( 2.415 2.048 0.000) 3.167 3.489 ( -0.808 -3.338 0.000) 3.435 3.843 ( -0.237 -1.474 0.000) 1.493 3.902 ( -1.188 -5.903 0.000) 6.021 4.223 ( 0.605 1.962 0.000) 2.053 4.282 ( 3.546 1.910 0.000) 4.028 4.434 ( 2.340 2.363 0.000) 3.326 4.554 ( -8.173 -3.266 0.000) 8.802 4.685 ( 1.850 -2.383 0.000) 3.017 4.745 ( 1.449 3.957 0.000) 4.214 4.821 ( 2.174 2.072 0.000) 3.003 5.065 ( 2.169 -0.210 0.000) 2.179 5.164 ( 11.902 3.647 0.000) 12.448 5.534 ( -2.139 0.293 0.000) 2.159 5.579 ( 0.718 6.589 0.000) 6.629 5.843 ( -6.988 -5.590 0.000) 8.949 ======================= Grid point 46 (34/172) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 18.957 0.000) 18.957 0.752 ( 0.000 23.904 0.000) 23.904 1.101 ( 0.000 34.424 0.000) 34.424 1.887 ( -0.000 -11.001 0.000) 11.001 1.977 ( -0.000 -11.110 0.000) 11.110 2.144 ( 0.000 5.845 0.000) 5.845 2.352 ( -0.000 -3.898 0.000) 3.898 2.404 ( -0.000 -0.186 0.000) 0.186 2.553 ( 0.000 0.646 0.000) 0.646 2.736 ( -0.000 -3.154 0.000) 3.154 2.831 ( -0.000 -2.700 0.000) 2.700 2.938 ( 0.000 3.342 0.000) 3.342 3.103 ( 0.000 3.885 0.000) 3.885 3.165 ( -0.000 -3.170 0.000) 3.170 3.358 ( -0.000 -0.661 0.000) 0.661 3.506 ( -0.000 -6.961 0.000) 6.961 3.821 ( 0.000 0.974 0.000) 0.974 3.944 ( -0.000 -8.461 0.000) 8.461 4.220 ( 0.000 2.571 0.000) 2.571 4.378 ( -0.000 -1.014 0.000) 1.014 4.379 ( 0.000 0.037 0.000) 0.037 4.462 ( 0.000 3.760 0.000) 3.760 4.716 ( -0.000 -1.205 0.000) 1.205 4.739 ( 0.000 3.613 0.000) 3.613 4.833 ( 0.000 1.360 0.000) 1.360 5.093 ( -0.000 -2.322 0.000) 2.322 5.420 ( 0.000 1.733 0.000) 1.733 5.477 ( 0.000 0.247 0.000) 0.247 5.505 ( 0.000 0.931 0.000) 0.931 5.736 ( 0.000 4.541 0.000) 4.541 ======================= Grid point 53 (35/172) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -13.160 0.000 0.000) 13.160 1.691 ( -8.793 0.000 0.000) 8.793 1.742 ( -9.472 0.000 0.000) 9.472 1.949 ( -4.044 0.000 0.000) 4.044 2.268 ( 0.140 -0.000 0.000) 0.140 2.339 ( 2.372 -0.000 0.000) 2.372 2.445 ( -0.297 0.000 0.000) 0.297 2.563 ( 1.705 -0.000 0.000) 1.705 2.895 ( -7.208 0.000 0.000) 7.208 2.966 ( 4.236 -0.000 0.000) 4.236 3.066 ( -0.268 0.000 0.000) 0.268 3.132 ( -2.483 0.000 0.000) 2.483 3.262 ( 1.408 -0.000 0.000) 1.408 3.341 ( -0.479 0.000 0.000) 0.479 3.491 ( 1.897 -0.000 0.000) 1.897 3.595 ( -8.802 0.000 0.000) 8.802 3.778 ( 2.424 -0.000 0.000) 2.424 3.818 ( -7.931 0.000 0.000) 7.931 4.121 ( -5.649 0.000 0.000) 5.649 4.145 ( 6.220 -0.000 0.000) 6.220 4.414 ( -3.930 0.000 0.000) 3.930 4.454 ( 1.873 -0.000 0.000) 1.873 4.599 ( 2.433 -0.000 0.000) 2.433 4.732 ( -1.046 0.000 0.000) 1.046 4.871 ( -0.656 0.000 0.000) 0.656 5.018 ( -1.063 0.000 0.000) 1.063 5.168 ( -5.815 0.000 0.000) 5.815 5.315 ( 6.640 -0.000 0.000) 6.640 5.714 ( -2.805 0.000 0.000) 2.805 5.850 ( 3.469 -0.000 0.000) 3.469 ======================= Grid point 55 (36/172) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -8.947 3.193 0.000) 9.500 1.481 ( -12.800 -0.263 0.000) 12.802 1.585 ( -7.469 -3.569 0.000) 8.278 1.847 ( -6.198 -1.554 0.000) 6.390 2.265 ( -1.105 0.754 0.000) 1.338 2.374 ( -0.131 -0.446 0.000) 0.464 2.465 ( 3.308 0.205 0.000) 3.315 2.582 ( 0.396 0.048 0.000) 0.399 2.747 ( -7.541 -0.073 0.000) 7.542 2.965 ( -16.534 3.561 0.000) 16.913 3.023 ( -0.222 0.547 0.000) 0.590 3.028 ( -1.925 -0.139 0.000) 1.930 3.241 ( 0.989 6.874 0.000) 6.945 3.346 ( -4.067 -0.795 0.000) 4.144 3.382 ( -10.889 -3.002 0.000) 11.295 3.482 ( -2.624 -2.721 0.000) 3.780 3.676 ( -0.760 -0.489 0.000) 0.903 3.874 ( 4.351 -1.744 0.000) 4.687 4.159 ( 5.651 -0.354 0.000) 5.662 4.237 ( 2.751 0.636 0.000) 2.823 4.352 ( -1.956 -0.058 0.000) 1.957 4.508 ( 3.874 -0.304 0.000) 3.886 4.648 ( 2.767 0.995 0.000) 2.941 4.740 ( 2.270 0.773 0.000) 2.398 4.826 ( -3.868 -0.376 0.000) 3.886 5.004 ( -0.298 0.071 0.000) 0.306 5.082 ( -2.945 -0.026 0.000) 2.945 5.437 ( 6.401 0.523 0.000) 6.423 5.665 ( -2.455 -0.138 0.000) 2.458 5.887 ( -0.078 -1.495 0.000) 1.497 ======================= Grid point 56 (37/172) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -6.821 12.605 0.000) 14.333 1.230 ( -11.020 6.956 0.000) 13.032 1.540 ( -1.820 -14.485 0.000) 14.599 1.759 ( -4.453 -5.285 0.000) 6.911 2.177 ( -7.279 5.675 0.000) 9.230 2.355 ( -1.562 0.999 0.000) 1.854 2.477 ( -11.061 3.970 0.000) 11.751 2.577 ( -0.140 1.279 0.000) 1.286 2.615 ( -6.587 1.905 0.000) 6.857 2.641 ( -4.040 -0.562 0.000) 4.079 2.930 ( -7.369 0.647 0.000) 7.398 3.021 ( -1.531 0.433 0.000) 1.591 3.097 ( -10.542 -7.098 0.000) 12.709 3.257 ( 1.938 4.907 0.000) 5.276 3.349 ( -2.198 -2.080 0.000) 3.027 3.479 ( 0.707 0.866 0.000) 1.118 3.724 ( 2.682 -4.709 0.000) 5.420 3.921 ( -0.529 -0.713 0.000) 0.888 4.231 ( 1.309 0.598 0.000) 1.439 4.258 ( 1.316 1.066 0.000) 1.694 4.378 ( 4.465 0.184 0.000) 4.469 4.586 ( 3.251 -0.317 0.000) 3.266 4.658 ( -3.657 -1.890 0.000) 4.117 4.763 ( 0.198 1.653 0.000) 1.665 4.799 ( 3.151 1.349 0.000) 3.428 5.023 ( 2.807 0.744 0.000) 2.904 5.067 ( 1.915 0.380 0.000) 1.952 5.540 ( 3.752 1.283 0.000) 3.965 5.631 ( 0.246 1.975 0.000) 1.991 5.860 ( -4.133 -3.933 0.000) 5.705 ======================= Grid point 57 (38/172) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -8.962 11.929 0.000) 14.920 1.064 ( 0.207 21.174 0.000) 21.175 1.599 ( -1.354 -4.734 0.000) 4.924 1.738 ( -1.671 -9.042 0.000) 9.195 1.915 ( -12.595 10.753 0.000) 16.561 2.210 ( -5.277 0.615 0.000) 5.313 2.341 ( -1.205 0.365 0.000) 1.259 2.496 ( -9.224 -1.173 0.000) 9.298 2.571 ( -0.839 0.618 0.000) 1.042 2.654 ( 2.323 -2.830 0.000) 3.661 2.822 ( -2.320 -1.985 0.000) 3.054 2.987 ( -2.053 0.288 0.000) 2.073 3.042 ( -0.633 -6.782 0.000) 6.812 3.220 ( -3.638 2.638 0.000) 4.493 3.337 ( 0.533 -0.283 0.000) 0.603 3.487 ( 0.858 2.440 0.000) 2.587 3.798 ( 1.910 -6.298 0.000) 6.581 3.876 ( -3.328 -0.364 0.000) 3.348 4.244 ( 1.421 2.161 0.000) 2.587 4.294 ( 2.706 0.542 0.000) 2.760 4.451 ( 1.934 1.090 0.000) 2.220 4.524 ( -7.426 -2.588 0.000) 7.864 4.658 ( 1.551 -2.774 0.000) 3.178 4.782 ( 1.866 3.377 0.000) 3.858 4.840 ( 1.932 1.648 0.000) 2.539 5.057 ( 0.966 -0.797 0.000) 1.253 5.199 ( 12.264 2.922 0.000) 12.607 5.537 ( -1.842 0.163 0.000) 1.850 5.641 ( -1.502 5.673 0.000) 5.869 5.795 ( -3.233 -4.288 0.000) 5.370 ======================= Grid point 58 (39/172) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 16.321 0.000) 16.321 0.981 ( 0.000 22.095 0.000) 22.095 1.427 ( 0.000 30.813 0.000) 30.813 1.775 ( -0.000 -10.973 0.000) 10.973 1.846 ( -0.000 -14.626 0.000) 14.626 2.194 ( 0.000 3.654 0.000) 3.654 2.327 ( -0.000 -1.306 0.000) 1.306 2.387 ( -0.000 -3.152 0.000) 3.152 2.560 ( 0.000 0.564 0.000) 0.564 2.698 ( -0.000 -3.850 0.000) 3.850 2.816 ( -0.000 -0.968 0.000) 0.968 2.958 ( 0.000 1.046 0.000) 1.046 3.096 ( -0.000 -9.270 0.000) 9.270 3.147 ( 0.000 4.554 0.000) 4.554 3.350 ( -0.000 -1.068 0.000) 1.068 3.484 ( 0.000 1.698 0.000) 1.698 3.830 ( 0.000 0.925 0.000) 0.925 3.860 ( -0.000 -8.182 0.000) 8.182 4.250 ( 0.000 3.379 0.000) 3.379 4.368 ( -0.000 -0.919 0.000) 0.919 4.373 ( -0.000 -1.205 0.000) 1.205 4.488 ( 0.000 1.602 0.000) 1.602 4.690 ( -0.000 -3.338 0.000) 3.338 4.781 ( 0.000 4.326 0.000) 4.326 4.851 ( 0.000 1.894 0.000) 1.894 5.074 ( -0.000 -1.526 0.000) 1.526 5.438 ( 0.000 1.647 0.000) 1.647 5.480 ( 0.000 0.270 0.000) 0.270 5.513 ( 0.000 0.747 0.000) 0.747 5.777 ( 0.000 3.559 0.000) 3.559 ======================= Grid point 67 (40/172) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -12.010 0.000 0.000) 12.010 1.300 ( 1.176 -0.000 0.000) 1.176 1.434 ( -6.484 0.000 0.000) 6.484 1.731 ( -5.101 0.000 0.000) 5.101 2.206 ( -5.209 0.000 0.000) 5.209 2.358 ( -0.960 0.000 0.000) 0.960 2.496 ( -7.706 0.000 0.000) 7.706 2.585 ( -0.166 0.000 0.000) 0.166 2.633 ( -11.008 0.000 0.000) 11.008 2.636 ( -4.510 0.000 0.000) 4.510 2.932 ( -8.895 0.000 0.000) 8.895 3.027 ( -1.338 0.000 0.000) 1.338 3.052 ( -10.725 0.000 0.000) 10.725 3.294 ( 2.139 -0.000 0.000) 2.139 3.324 ( -2.782 0.000 0.000) 2.782 3.488 ( 1.695 -0.000 0.000) 1.695 3.698 ( 2.182 -0.000 0.000) 2.182 3.917 ( -0.162 0.000 0.000) 0.162 4.234 ( 1.730 -0.000 0.000) 1.730 4.263 ( 1.046 -0.000 0.000) 1.046 4.379 ( 4.574 -0.000 0.000) 4.574 4.586 ( 3.741 -0.000 0.000) 3.741 4.647 ( -5.265 0.000 0.000) 5.265 4.771 ( 0.559 -0.000 0.000) 0.559 4.806 ( 3.383 -0.000 0.000) 3.383 5.026 ( 2.422 -0.000 0.000) 2.422 5.069 ( 2.664 -0.000 0.000) 2.664 5.546 ( 2.985 -0.000 0.000) 2.985 5.643 ( 2.115 -0.000 0.000) 2.115 5.839 ( -4.759 0.000 0.000) 4.759 ======================= Grid point 69 (41/172) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -7.696 4.987 0.000) 9.171 1.267 ( 0.200 18.975 0.000) 18.976 1.475 ( 5.796 -16.097 0.000) 17.109 1.669 ( -2.368 -4.028 0.000) 4.673 2.064 ( -13.113 15.287 0.000) 20.141 2.180 ( -8.891 -7.237 0.000) 11.463 2.345 ( -0.561 0.295 0.000) 0.634 2.484 ( -11.498 -0.900 0.000) 11.533 2.576 ( -1.005 0.238 0.000) 1.032 2.636 ( 2.295 -0.897 0.000) 2.464 2.798 ( -1.839 -1.998 0.000) 2.715 2.987 ( -1.471 -0.267 0.000) 1.495 2.993 ( -1.179 -2.253 0.000) 2.543 3.246 ( -4.002 1.871 0.000) 4.418 3.327 ( 0.729 -1.041 0.000) 1.271 3.517 ( 1.598 2.373 0.000) 2.861 3.745 ( 1.669 -3.378 0.000) 3.768 3.876 ( -3.110 0.105 0.000) 3.112 4.263 ( 2.324 1.432 0.000) 2.730 4.294 ( 1.898 -0.399 0.000) 1.939 4.457 ( 1.572 0.318 0.000) 1.603 4.505 ( -6.943 -1.003 0.000) 7.015 4.637 ( 1.391 -1.180 0.000) 1.824 4.807 ( 2.153 1.344 0.000) 2.538 4.851 ( 1.776 0.532 0.000) 1.854 5.052 ( 0.777 -0.294 0.000) 0.831 5.219 ( 11.880 1.021 0.000) 11.924 5.538 ( -1.576 0.061 0.000) 1.577 5.689 ( -7.034 3.548 0.000) 7.879 5.757 ( 3.060 -2.963 0.000) 4.259 ======================= Grid point 70 (42/172) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 10.620 0.000) 10.620 1.184 ( 0.000 17.914 0.000) 17.914 1.668 ( -0.000 -2.257 0.000) 2.257 1.697 ( -0.000 -14.449 0.000) 14.449 1.713 ( 0.000 17.955 0.000) 17.955 2.198 ( -0.000 -3.631 0.000) 3.631 2.320 ( -0.000 -0.291 0.000) 0.291 2.352 ( -0.000 -2.656 0.000) 2.656 2.564 ( 0.000 0.328 0.000) 0.328 2.668 ( -0.000 -1.991 0.000) 1.991 2.803 ( -0.000 -1.703 0.000) 1.703 2.964 ( 0.000 0.225 0.000) 0.225 3.015 ( -0.000 -5.877 0.000) 5.877 3.186 ( 0.000 3.120 0.000) 3.120 3.338 ( -0.000 -1.053 0.000) 1.053 3.517 ( 0.000 3.849 0.000) 3.849 3.787 ( -0.000 -6.087 0.000) 6.087 3.838 ( 0.000 0.571 0.000) 0.571 4.285 ( 0.000 3.523 0.000) 3.523 4.355 ( -0.000 -2.207 0.000) 2.207 4.360 ( -0.000 -0.550 0.000) 0.550 4.498 ( 0.000 0.587 0.000) 0.587 4.658 ( -0.000 -2.527 0.000) 2.527 4.818 ( 0.000 2.816 0.000) 2.816 4.866 ( 0.000 0.995 0.000) 0.995 5.063 ( -0.000 -0.710 0.000) 0.710 5.451 ( 0.000 0.987 0.000) 0.987 5.482 ( 0.000 0.171 0.000) 0.171 5.519 ( 0.000 0.415 0.000) 0.415 5.805 ( 0.000 1.936 0.000) 1.936 ======================= Grid point 82 (43/172) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 0.000 0.000 0.000) 0.000 1.293 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 2.156 ( 0.000 0.000 0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.753 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 4.310 ( -0.000 -0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.833 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 5.059 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/172) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 0.000 0.000 19.078) 19.078 0.475 ( 0.000 0.000 24.572) 24.572 0.579 ( 0.000 0.000 28.113) 28.113 1.965 ( 0.000 0.000 -8.558) 8.558 2.019 ( 0.000 0.000 -8.419) 8.419 2.056 ( 0.000 0.000 -5.586) 5.586 2.238 ( 0.000 0.000 -7.858) 7.858 2.560 ( 0.000 0.000 2.404) 2.404 2.623 ( 0.000 0.000 -8.971) 8.971 2.672 ( 0.000 0.000 8.633) 8.633 2.789 ( 0.000 0.000 1.249) 1.249 2.983 ( 0.000 0.000 -0.391) 0.391 3.059 ( 0.000 0.000 -0.349) 0.349 3.147 ( 0.000 0.000 5.703) 5.703 3.287 ( 0.000 0.000 -6.888) 6.888 3.837 ( 0.000 0.000 1.653) 1.653 3.846 ( 0.000 0.000 5.259) 5.259 3.881 ( 0.000 0.000 6.876) 6.876 4.144 ( 0.000 0.000 -12.535) 12.535 4.251 ( 0.000 0.000 1.913) 1.913 4.383 ( 0.000 0.000 -1.434) 1.434 4.490 ( 0.000 0.000 -4.634) 4.634 4.601 ( 0.000 0.000 1.783) 1.783 4.850 ( 0.000 0.000 5.256) 5.256 4.884 ( 0.000 0.000 2.502) 2.502 5.280 ( 0.000 0.000 3.228) 3.228 5.370 ( 0.000 0.000 -2.393) 2.393 5.468 ( 0.000 0.000 0.776) 0.776 5.477 ( 0.000 0.000 -0.051) 0.051 5.481 ( 0.000 0.000 -0.101) 0.101 ======================= Grid point 152 (45/172) ======================= q-point: ( 0.08 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 14.895 -4.765 6.796) 17.051 0.593 ( 18.006 -1.535 11.113) 21.215 1.100 ( 32.334 -7.371 20.673) 39.079 1.950 ( -0.718 0.788 -6.228) 6.318 1.989 ( -1.460 1.822 -9.082) 9.378 2.148 ( 8.209 0.815 -4.883) 9.586 2.211 ( -1.885 -2.024 -8.098) 8.557 2.563 ( -1.054 6.563 -3.381) 7.458 2.623 ( 0.970 -3.951 -1.278) 4.264 2.681 ( 2.338 1.638 6.036) 6.677 2.824 ( 1.730 -3.477 1.639) 4.215 2.925 ( -2.049 0.360 -0.746) 2.210 3.127 ( 0.346 0.565 3.311) 3.376 3.149 ( 4.443 -1.945 0.655) 4.895 3.283 ( -0.358 -0.241 -5.174) 5.192 3.782 ( -0.839 8.589 3.924) 9.480 3.861 ( -1.398 -6.551 3.307) 7.470 3.952 ( 5.214 -1.801 5.116) 7.523 4.131 ( -0.703 2.182 -10.639) 10.883 4.240 ( -1.101 -1.284 1.338) 2.157 4.393 ( -1.131 0.873 2.802) 3.145 4.491 ( -0.302 -1.405 -4.907) 5.113 4.626 ( 2.181 -0.317 -0.656) 2.300 4.831 ( -1.537 1.958 6.408) 6.875 4.881 ( -0.012 0.277 1.285) 1.315 5.003 ( -12.071 -3.613 11.018) 16.738 5.219 ( -4.799 1.499 2.222) 5.497 5.374 ( -1.141 -2.694 -1.981) 3.534 5.539 ( 4.880 -0.055 0.708) 4.932 5.920 ( 11.279 2.120 -11.452) 16.213 ======================= Grid point 153 (46/172) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 21.099 -3.895 -5.032) 22.038 0.979 ( 21.373 0.066 4.062) 21.756 1.726 ( 25.360 -6.310 12.479) 28.960 1.934 ( 0.586 3.687 -8.318) 9.118 1.972 ( 2.440 -0.575 -1.542) 2.944 2.209 ( 1.464 -2.332 -9.922) 10.297 2.310 ( 7.472 0.341 -5.151) 9.082 2.510 ( -1.150 4.096 -4.933) 6.514 2.641 ( 0.708 -1.341 3.098) 3.449 2.757 ( 5.266 1.703 1.480) 5.729 2.863 ( 1.000 -2.457 3.201) 4.157 2.926 ( 1.759 -1.127 0.507) 2.150 3.093 ( -3.492 -3.290 1.701) 5.090 3.264 ( 4.088 1.553 -1.524) 4.631 3.297 ( 3.243 -1.348 0.049) 3.512 3.738 ( 0.249 6.753 3.080) 7.427 3.846 ( -3.208 -3.527 1.818) 5.103 4.045 ( 2.851 1.387 1.503) 3.509 4.126 ( 2.276 0.725 -3.613) 4.331 4.221 ( -1.712 -1.297 0.204) 2.158 4.354 ( -1.675 -0.379 4.111) 4.456 4.485 ( -0.426 -0.009 -5.232) 5.250 4.650 ( -1.006 -2.701 3.089) 4.225 4.776 ( -3.394 1.192 5.215) 6.335 4.880 ( -0.194 1.341 2.692) 3.013 4.919 ( -0.124 -2.453 0.300) 2.474 5.128 ( -3.419 0.862 1.461) 3.817 5.362 ( -1.482 -2.703 -2.124) 3.744 5.633 ( 4.682 0.427 1.025) 4.811 6.020 ( 2.755 2.913 -6.264) 7.437 ======================= Grid point 154 (47/172) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 19.024 -1.446 -8.415) 20.852 1.367 ( 19.436 1.470 -1.201) 19.528 1.864 ( 0.770 4.270 -1.395) 4.558 1.922 ( -0.295 1.373 -4.868) 5.066 2.179 ( 5.113 -2.996 -1.184) 6.043 2.342 ( 5.929 -0.836 -3.945) 7.170 2.395 ( 2.357 -2.175 -2.354) 3.978 2.498 ( 2.813 0.518 -3.309) 4.374 2.735 ( 10.515 -1.363 0.050) 10.603 2.809 ( 1.195 3.437 3.509) 5.056 2.922 ( 3.535 -2.614 2.012) 4.835 3.000 ( 5.255 -2.472 2.677) 6.395 3.048 ( -1.335 -4.433 1.940) 5.020 3.303 ( 2.085 -0.084 -2.216) 3.044 3.376 ( 2.524 -1.035 3.734) 4.624 3.716 ( -1.014 2.135 2.459) 3.411 3.774 ( -4.381 0.833 0.769) 4.525 4.062 ( 1.228 2.867 -0.992) 3.273 4.167 ( -0.033 -0.361 0.673) 0.764 4.191 ( -1.289 0.008 0.205) 1.305 4.360 ( 2.079 -1.085 2.829) 3.674 4.489 ( 1.316 1.676 -2.740) 3.471 4.619 ( -3.146 -2.213 4.810) 6.159 4.704 ( -3.199 -0.785 4.120) 5.275 4.875 ( 0.424 1.333 -0.523) 1.493 4.962 ( 2.620 -0.727 -1.634) 3.172 5.100 ( 1.023 -0.052 0.828) 1.317 5.342 ( -2.003 -1.674 -2.012) 3.295 5.699 ( 2.395 0.778 0.782) 2.637 6.023 ( -0.557 3.452 -4.112) 5.398 ======================= Grid point 155 (48/172) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 13.751 0.376 -11.624) 18.009 1.646 ( 10.017 3.429 -8.049) 13.300 1.885 ( 3.161 1.953 2.331) 4.386 1.943 ( 5.445 2.198 -1.681) 6.108 2.230 ( -0.104 -0.373 -4.275) 4.293 2.348 ( -0.319 0.728 -6.871) 6.917 2.410 ( 0.311 0.529 0.186) 0.641 2.540 ( -1.140 -3.067 -0.457) 3.303 2.776 ( -3.397 -0.911 3.152) 4.723 2.906 ( 1.158 -4.649 1.608) 5.054 2.974 ( 2.876 -0.304 1.729) 3.370 3.076 ( 4.823 0.228 -1.480) 5.050 3.248 ( 11.623 0.445 2.385) 11.874 3.367 ( 2.701 -2.310 -1.114) 3.725 3.412 ( 5.902 -2.085 5.387) 8.258 3.623 ( -6.910 -0.586 5.081) 8.597 3.727 ( -2.199 -1.454 0.150) 2.640 4.065 ( 0.167 2.142 0.611) 2.233 4.132 ( -1.730 1.607 0.347) 2.387 4.190 ( 1.466 0.438 0.682) 1.675 4.433 ( 4.499 -0.906 1.549) 4.844 4.488 ( -0.901 2.055 2.489) 3.352 4.582 ( -0.875 -0.335 3.032) 3.174 4.693 ( 1.345 -1.563 0.729) 2.187 4.875 ( -0.130 0.538 -0.686) 0.882 5.002 ( 1.420 0.128 -2.280) 2.689 5.169 ( 5.608 -0.058 -0.239) 5.614 5.295 ( -3.554 -0.386 -1.480) 3.869 5.713 ( -0.478 0.400 0.346) 0.713 5.969 ( -3.032 3.859 -3.129) 5.820 ======================= Grid point 156 (49/172) ======================= q-point: ( 0.42 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 2.316 1.643 -9.450) 9.868 1.780 ( 4.386 0.872 -12.835) 13.592 1.947 ( 5.785 1.929 -2.415) 6.559 2.086 ( 6.104 2.595 1.411) 6.781 2.204 ( -0.356 0.291 -3.645) 3.674 2.368 ( 2.789 2.222 -5.030) 6.166 2.422 ( 0.274 -1.663 -1.028) 1.974 2.502 ( -3.742 -2.368 1.356) 4.631 2.712 ( -3.703 -3.211 4.880) 6.916 2.894 ( -1.932 -2.163 -0.128) 2.903 3.059 ( 4.176 -0.258 2.159) 4.708 3.140 ( 2.002 0.836 -2.369) 3.213 3.316 ( -0.485 1.659 1.302) 2.164 3.374 ( 1.419 0.321 0.199) 1.468 3.492 ( -4.459 -1.187 6.272) 7.786 3.654 ( -0.123 -0.289 -0.127) 0.338 3.697 ( 5.744 -4.210 4.598) 8.477 4.040 ( -1.641 -0.652 1.843) 2.552 4.111 ( 0.094 3.792 2.182) 4.376 4.260 ( 4.906 -2.275 1.953) 5.749 4.461 ( 0.410 1.469 2.506) 2.934 4.519 ( 3.186 -0.899 0.165) 3.315 4.595 ( 2.508 0.375 1.704) 3.055 4.737 ( 1.947 -0.639 -0.800) 2.200 4.848 ( -3.040 0.522 0.040) 3.084 5.020 ( 0.670 0.331 -2.823) 2.920 5.210 ( -3.548 0.598 -0.206) 3.604 5.295 ( 5.718 0.281 -1.088) 5.827 5.686 ( -2.122 -0.776 -0.059) 2.260 5.884 ( -3.506 3.330 -2.588) 5.484 ======================= Grid point 157 (50/172) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 0.000 -0.000 -7.258) 7.258 1.804 ( 0.000 -0.000 -13.968) 13.968 2.036 ( -0.000 -0.000 -2.495) 2.495 2.087 ( 0.000 -0.000 -5.295) 5.295 2.231 ( 0.000 -0.000 -1.702) 1.702 2.413 ( 0.000 0.000 -0.083) 0.083 2.418 ( -0.000 -0.000 -1.932) 1.932 2.458 ( 0.000 -0.000 0.407) 0.407 2.684 ( 0.000 -0.000 6.661) 6.661 2.881 ( 0.000 -0.000 -2.294) 2.294 3.097 ( 0.000 -0.000 -0.590) 0.590 3.155 ( 0.000 -0.000 1.461) 1.461 3.308 ( 0.000 -0.000 2.133) 2.133 3.380 ( 0.000 -0.000 -0.888) 0.888 3.461 ( 0.000 -0.000 7.296) 7.296 3.609 ( 0.000 -0.000 -1.298) 1.298 3.789 ( 0.000 -0.000 4.811) 4.811 4.030 ( 0.000 -0.000 2.546) 2.546 4.095 ( 0.000 -0.000 2.189) 2.189 4.319 ( 0.000 -0.000 4.250) 4.250 4.476 ( 0.000 -0.000 1.110) 1.110 4.559 ( 0.000 -0.000 -0.902) 0.902 4.649 ( 0.000 -0.000 -0.216) 0.216 4.763 ( 0.000 -0.000 -1.024) 1.024 4.775 ( 0.000 -0.000 1.278) 1.278 5.025 ( 0.000 -0.000 -3.034) 3.034 5.168 ( 0.000 -0.000 0.701) 0.701 5.361 ( 0.000 -0.000 -1.318) 1.318 5.662 ( 0.000 -0.000 -0.227) 0.227 5.836 ( 0.000 -0.000 -2.390) 2.390 ======================= Grid point 165 (51/172) ======================= q-point: ( 0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 22.248 -0.000 -6.217) 23.101 0.980 ( 21.791 -0.000 4.497) 22.250 1.690 ( 27.956 -0.000 14.157) 31.336 1.962 ( -1.796 0.000 -10.342) 10.497 1.962 ( 3.518 -0.000 -0.722) 3.592 2.195 ( 1.286 -0.000 -10.395) 10.475 2.313 ( 7.291 -0.000 -5.134) 8.918 2.535 ( -2.050 0.000 -6.058) 6.395 2.631 ( 1.634 -0.000 3.823) 4.157 2.767 ( 4.787 -0.000 2.016) 5.194 2.849 ( 2.121 -0.000 3.658) 4.228 2.921 ( 1.212 -0.000 0.596) 1.351 3.075 ( -3.886 0.000 1.565) 4.190 3.277 ( 6.623 -0.000 1.376) 6.765 3.285 ( 0.752 -0.000 -3.045) 3.137 3.787 ( -2.136 0.000 2.587) 3.355 3.812 ( -1.004 0.000 2.244) 2.459 4.050 ( 3.948 -0.000 3.265) 5.123 4.133 ( 1.100 -0.000 -7.322) 7.404 4.213 ( -1.436 0.000 2.541) 2.919 4.353 ( -1.984 0.000 4.276) 4.713 4.485 ( 0.283 -0.000 -4.421) 4.430 4.636 ( -1.245 0.000 2.806) 3.070 4.782 ( -4.005 0.000 6.137) 7.328 4.892 ( -1.353 0.000 2.537) 2.876 4.901 ( 2.098 -0.000 -0.654) 2.198 5.133 ( -3.850 0.000 1.239) 4.044 5.348 ( -0.966 0.000 -1.938) 2.166 5.635 ( 4.770 -0.000 1.032) 4.880 6.035 ( 2.530 -0.000 -6.654) 7.119 ======================= Grid point 166 (52/172) ======================= q-point: ( 0.17 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 19.970 -0.516 -10.298) 22.474 1.380 ( 20.071 0.849 -0.082) 20.089 1.892 ( 0.992 1.349 1.291) 2.115 1.931 ( -0.687 0.596 -8.808) 8.855 2.155 ( 5.768 -1.396 -0.266) 5.940 2.331 ( 11.348 -0.944 -0.602) 11.403 2.378 ( 0.391 -0.801 -6.160) 6.225 2.512 ( -0.362 1.267 -3.016) 3.291 2.722 ( 9.055 -0.859 0.565) 9.113 2.848 ( 3.229 3.883 2.302) 5.550 2.895 ( 1.999 -2.837 4.367) 5.579 2.977 ( 5.272 -1.726 4.107) 6.903 3.018 ( -0.039 -1.474 -0.089) 1.478 3.304 ( 1.171 0.139 -2.139) 2.442 3.369 ( 2.735 -0.397 3.579) 4.522 3.726 ( -4.133 0.270 3.237) 5.257 3.783 ( -2.498 0.660 -0.324) 2.603 4.081 ( 0.771 0.907 -1.749) 2.116 4.164 ( 0.471 -0.069 -0.348) 0.590 4.190 ( -0.772 -0.116 1.628) 1.806 4.352 ( 2.040 -0.383 3.089) 3.722 4.506 ( 2.065 1.250 -2.463) 3.449 4.599 ( -2.478 -1.437 4.844) 5.627 4.700 ( -3.881 -0.145 4.428) 5.890 4.884 ( 0.025 0.541 -0.674) 0.865 4.956 ( 3.138 -0.323 -1.712) 3.589 5.100 ( 0.817 -0.008 0.704) 1.078 5.330 ( -1.385 -0.639 -1.798) 2.357 5.704 ( 2.350 0.286 0.841) 2.513 6.047 ( -0.693 1.269 -4.434) 4.664 ======================= Grid point 167 (53/172) ======================= q-point: ( 0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 14.481 0.251 -13.203) 19.598 1.676 ( 10.007 2.263 -8.010) 13.016 1.902 ( 1.804 1.364 2.131) 3.107 1.960 ( 5.919 1.231 -2.767) 6.649 2.222 ( 1.554 -1.044 -2.760) 3.335 2.356 ( -0.722 0.756 -7.910) 7.979 2.422 ( 0.136 1.852 0.595) 1.950 2.503 ( -1.696 -3.824 -1.121) 4.331 2.780 ( -4.730 1.514 6.085) 7.855 2.862 ( 1.318 -3.895 1.600) 4.412 2.964 ( 3.577 -1.257 2.533) 4.560 3.085 ( 5.372 1.083 -1.934) 5.811 3.257 ( 16.148 1.089 2.119) 16.323 3.338 ( 3.796 -2.892 -1.096) 4.897 3.401 ( 3.014 -0.511 5.248) 6.074 3.617 ( -7.283 -0.474 4.746) 8.706 3.717 ( -4.257 -0.594 0.063) 4.298 4.077 ( -1.479 0.474 0.596) 1.663 4.149 ( -0.230 1.530 -0.600) 1.659 4.191 ( 0.792 -0.098 0.480) 0.931 4.424 ( 4.655 -0.733 1.870) 5.070 4.513 ( -0.826 2.752 2.505) 3.812 4.574 ( -0.609 -1.241 3.486) 3.750 4.680 ( 1.763 -0.948 0.725) 2.129 4.880 ( -0.406 0.351 -0.637) 0.833 5.003 ( 1.624 0.056 -2.308) 2.823 5.168 ( 5.874 -0.010 -0.320) 5.883 5.292 ( -3.095 -0.308 -1.355) 3.392 5.716 ( -0.841 0.267 0.488) 1.009 6.000 ( -3.261 2.192 -3.449) 5.228 ======================= Grid point 168 (54/172) ======================= q-point: ( 0.33 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 2.043 2.548 -10.747) 11.233 1.784 ( 3.431 -0.239 -12.921) 13.371 1.964 ( 5.978 1.341 -2.291) 6.541 2.112 ( 6.348 2.519 -0.461) 6.845 2.211 ( -1.370 1.249 -1.889) 2.646 2.361 ( 0.096 -3.634 -3.930) 5.353 2.423 ( 1.653 1.773 -2.458) 3.452 2.473 ( -2.842 -2.866 0.274) 4.045 2.698 ( -2.609 -0.017 7.583) 8.019 2.871 ( -0.903 -2.354 0.165) 2.527 3.057 ( 5.013 -0.117 2.965) 5.825 3.150 ( 1.781 1.097 -2.820) 3.512 3.332 ( -0.412 1.662 0.905) 1.937 3.373 ( 1.808 -0.520 0.033) 1.882 3.479 ( -6.259 -1.387 5.948) 8.745 3.629 ( -3.459 -3.218 2.476) 5.334 3.684 ( 11.921 0.351 2.256) 12.138 4.032 ( -2.210 -0.693 1.581) 2.804 4.145 ( -0.143 2.895 1.654) 3.337 4.240 ( 4.420 -1.741 1.953) 5.136 4.478 ( -0.812 1.803 2.620) 3.282 4.509 ( 3.435 -0.926 0.068) 3.558 4.595 ( 2.473 -0.377 2.060) 3.241 4.732 ( 2.358 -0.450 -0.702) 2.502 4.852 ( -2.859 0.361 0.207) 2.889 5.023 ( 0.636 0.241 -2.780) 2.861 5.216 ( -3.591 0.672 -0.332) 3.668 5.296 ( 6.005 -0.028 -1.189) 6.122 5.680 ( -2.432 -0.350 0.143) 2.461 5.912 ( -4.426 2.266 -2.830) 5.721 ======================= Grid point 169 (55/172) ======================= q-point: ( 0.42 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -0.446 1.311 -7.783) 7.905 1.803 ( -0.290 -0.248 -13.825) 13.830 2.039 ( -2.629 0.655 -2.224) 3.505 2.090 ( -0.340 0.429 -4.853) 4.883 2.229 ( -0.184 -0.398 -1.583) 1.643 2.351 ( -3.326 -7.022 -1.461) 7.906 2.446 ( 0.681 0.933 -1.788) 2.129 2.471 ( 2.476 2.393 2.142) 4.056 2.700 ( 3.310 2.872 5.301) 6.878 2.878 ( 0.996 -0.589 -2.033) 2.339 3.106 ( 0.017 1.712 -0.411) 1.761 3.155 ( -0.339 0.110 1.311) 1.359 3.308 ( -0.756 0.088 1.955) 2.097 3.375 ( -2.026 -1.136 -0.308) 2.343 3.460 ( 2.663 -0.292 6.158) 6.716 3.586 ( -0.448 -3.823 0.993) 3.975 3.809 ( 1.930 3.298 3.292) 5.044 4.021 ( 0.309 -1.486 2.028) 2.532 4.108 ( -2.066 2.118 2.990) 4.207 4.320 ( 1.762 0.118 3.849) 4.235 4.471 ( -0.256 -0.785 1.235) 1.485 4.557 ( 0.510 -0.208 -0.902) 1.057 4.649 ( 0.362 -0.118 -0.168) 0.416 4.761 ( 0.541 -0.227 -0.972) 1.136 4.776 ( -1.691 0.114 1.284) 2.126 5.025 ( -0.217 0.064 -3.036) 3.044 5.169 ( -0.391 0.245 0.664) 0.809 5.360 ( -0.489 -0.121 -1.294) 1.389 5.662 ( 1.180 0.138 -0.253) 1.215 5.835 ( -2.341 -0.050 -2.383) 3.341 ======================= Grid point 170 (56/172) ======================= q-point: (-0.50 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -3.000 -0.503 -8.541) 9.067 1.770 ( -5.380 -1.014 -12.692) 13.822 1.927 ( -5.615 -2.075 -2.319) 6.420 2.061 ( -6.725 -2.470 3.596) 8.017 2.202 ( -0.242 -0.163 -5.001) 5.010 2.339 ( -0.893 -3.073 -5.244) 6.143 2.442 ( -0.679 2.132 -0.146) 2.242 2.514 ( 2.929 0.243 2.010) 3.560 2.759 ( 4.603 5.817 1.665) 7.602 2.911 ( 2.506 1.031 -0.882) 2.850 3.065 ( -3.723 1.130 1.492) 4.167 3.133 ( -1.961 -0.645 -1.718) 2.686 3.300 ( 0.131 -1.389 1.637) 2.151 3.367 ( -0.792 -1.118 0.146) 1.378 3.503 ( 3.289 1.252 6.555) 7.440 3.642 ( 0.781 -1.877 1.110) 2.316 3.755 ( -2.879 6.563 3.619) 8.028 4.039 ( -0.070 -1.535 2.070) 2.578 4.077 ( -0.108 -2.248 2.952) 3.712 4.284 ( -5.303 2.468 1.678) 6.085 4.450 ( -1.186 -0.731 2.275) 2.668 4.525 ( -2.936 0.165 0.437) 2.973 4.590 ( -2.577 -0.609 1.435) 3.012 4.743 ( -1.568 0.517 -0.947) 1.904 4.842 ( 3.365 -0.568 -0.210) 3.419 5.016 ( -0.761 -0.335 -2.880) 2.997 5.205 ( 3.644 -0.330 -0.062) 3.660 5.290 ( -5.664 -0.568 -0.928) 5.767 5.696 ( 1.766 1.396 -0.350) 2.278 5.848 ( 2.415 -3.868 -2.269) 5.093 ======================= Grid point 171 (57/172) ======================= q-point: (-0.42 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -13.189 -0.541 -8.674) 15.795 1.612 ( -9.444 -3.119 -8.670) 13.194 1.866 ( -4.142 -1.757 1.920) 4.892 1.918 ( -5.638 -2.752 -0.451) 6.291 2.226 ( 1.075 -1.103 -5.531) 5.741 2.343 ( 0.556 -0.378 -5.862) 5.901 2.413 ( -1.041 1.031 0.476) 1.540 2.560 ( 1.608 0.950 0.027) 1.868 2.799 ( 1.407 3.388 0.012) 3.668 2.949 ( 1.024 3.179 0.663) 3.405 2.971 ( -4.996 0.063 0.367) 5.010 3.082 ( -2.995 1.104 -0.609) 3.250 3.249 ( -8.228 0.687 2.661) 8.675 3.379 ( 0.795 0.159 -0.379) 0.894 3.444 ( -8.648 4.019 4.617) 10.596 3.630 ( 5.464 0.887 5.516) 7.815 3.745 ( -0.311 2.086 0.511) 2.170 4.030 ( -1.683 -4.932 1.905) 5.548 4.121 ( 2.918 -0.479 0.258) 2.968 4.182 ( -2.556 -1.276 0.945) 3.009 4.439 ( -3.451 0.331 1.651) 3.839 4.475 ( 0.338 -0.441 1.975) 2.052 4.585 ( 1.597 0.481 2.919) 3.362 4.708 ( -0.955 1.343 0.343) 1.684 4.870 ( -0.208 -0.492 -0.754) 0.924 5.000 ( -1.171 -0.230 -2.278) 2.572 5.170 ( -5.366 0.086 -0.125) 5.368 5.299 ( 4.264 0.232 -1.588) 4.556 5.709 ( -0.135 -0.333 0.115) 0.378 5.926 ( 2.815 -4.576 -2.656) 5.993 ======================= Grid point 172 (58/172) ======================= q-point: (-0.33 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -17.259 1.864 -4.254) 17.873 1.358 ( -17.801 -0.003 -4.550) 18.373 1.813 ( -2.263 -5.697 -1.172) 6.241 1.901 ( 0.423 -2.927 -2.681) 3.992 2.205 ( -3.872 1.871 -2.624) 5.038 2.348 ( -2.168 0.615 -5.578) 6.016 2.405 ( 0.042 0.057 -0.525) 0.530 2.520 ( -6.577 4.479 -3.729) 8.788 2.744 ( -11.157 0.198 0.021) 11.159 2.789 ( -3.255 -0.075 3.415) 4.718 2.950 ( -1.372 2.890 0.098) 3.201 3.022 ( -5.471 1.741 2.040) 6.093 3.099 ( 1.236 5.512 3.337) 6.561 3.308 ( -3.490 0.972 -2.344) 4.314 3.389 ( -2.205 1.483 3.778) 4.619 3.682 ( -2.984 -4.550 1.721) 5.707 3.767 ( 5.590 -0.942 2.274) 6.108 4.026 ( -1.431 -4.119 0.508) 4.390 4.168 ( 1.001 -0.401 -0.118) 1.085 4.191 ( 1.829 0.234 -0.104) 1.847 4.372 ( -2.009 1.323 2.666) 3.590 4.477 ( -0.546 -0.577 -3.314) 3.408 4.640 ( 4.402 2.007 5.120) 7.044 4.715 ( 2.251 1.392 3.300) 4.230 4.859 ( -1.014 -1.685 -0.355) 1.998 4.970 ( -1.860 0.833 -1.470) 2.513 5.101 ( -1.258 0.138 1.060) 1.651 5.362 ( 3.037 2.131 -2.333) 4.383 5.689 ( -2.455 -1.051 0.662) 2.751 5.981 ( 0.361 -4.690 -3.547) 5.891 ======================= Grid point 173 (59/172) ======================= q-point: (-0.25 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -17.853 7.246 -1.375) 19.316 0.987 ( -19.921 2.227 1.483) 20.100 1.770 ( -12.781 -0.559 2.951) 13.129 1.916 ( -4.508 1.540 -3.012) 5.636 1.981 ( -7.224 2.304 2.286) 7.920 2.230 ( -3.830 1.486 -8.502) 9.443 2.314 ( -6.867 1.654 -5.508) 8.957 2.469 ( 0.403 -3.696 -4.730) 6.016 2.651 ( -0.168 0.679 2.620) 2.712 2.736 ( -4.940 -2.447 1.757) 5.786 2.892 ( -1.278 3.041 1.909) 3.811 2.945 ( -1.706 2.610 -0.112) 3.121 3.130 ( 2.332 3.590 2.077) 4.758 3.252 ( -2.786 -0.620 -2.686) 3.920 3.310 ( -4.041 1.467 1.825) 4.671 3.662 ( -2.201 -8.281 3.191) 9.143 3.868 ( 4.293 0.498 1.649) 4.625 4.017 ( -1.762 -3.721 0.236) 4.124 4.129 ( -3.285 1.278 -1.303) 3.758 4.234 ( 2.274 1.125 -1.102) 2.766 4.363 ( 1.366 1.312 3.317) 3.820 4.487 ( 1.459 0.449 -6.887) 7.054 4.683 ( 0.339 3.552 3.301) 4.861 4.761 ( 2.313 -1.731 3.717) 4.708 4.867 ( 0.753 -1.481 3.783) 4.132 4.947 ( 1.890 3.109 1.098) 3.800 5.120 ( 2.746 -0.669 2.062) 3.498 5.398 ( 2.609 4.231 -2.555) 5.589 5.627 ( -4.407 -0.639 0.993) 4.562 5.981 ( -3.185 -4.785 -5.306) 7.822 ======================= Grid point 174 (60/172) ======================= q-point: (-0.17 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( -15.678 9.755 3.701) 18.832 0.639 ( -11.872 8.913 11.729) 18.920 1.228 ( -28.568 17.064 17.455) 37.576 1.910 ( 0.625 -6.816 -8.927) 11.249 1.989 ( 1.587 1.921 -5.444) 5.987 2.130 ( -7.954 -2.777 -4.591) 9.594 2.241 ( 1.697 3.476 -7.345) 8.301 2.495 ( -0.555 -6.467 -2.038) 6.803 2.633 ( -4.311 -2.109 -1.452) 5.014 2.676 ( 0.970 1.175 3.962) 4.245 2.870 ( -0.804 4.399 0.826) 4.548 2.923 ( 1.346 0.471 0.285) 1.454 3.121 ( -3.329 -0.579 2.246) 4.058 3.183 ( -1.247 4.548 0.866) 4.795 3.286 ( 0.734 0.300 -3.997) 4.075 3.686 ( -0.091 -10.651 4.186) 11.444 3.903 ( -0.186 2.004 4.969) 5.361 3.982 ( -1.708 2.455 0.160) 2.995 4.099 ( 0.069 -2.847 -7.050) 7.603 4.262 ( 1.689 2.746 -1.100) 3.406 4.386 ( 0.752 -0.076 1.961) 2.101 4.507 ( 0.434 1.377 -6.558) 6.715 4.631 ( -3.265 0.471 -0.093) 3.300 4.809 ( 1.591 -1.583 6.858) 7.216 4.877 ( 0.193 -0.453 2.331) 2.382 5.052 ( 11.644 4.901 8.154) 15.036 5.201 ( 5.255 -1.308 2.948) 6.166 5.418 ( 2.047 5.614 -2.341) 6.418 5.540 ( -4.489 0.248 0.729) 4.554 5.884 ( -11.148 -4.559 -8.814) 14.925 ======================= Grid point 175 (61/172) ======================= q-point: (-0.08 0.08 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( -0.000 -0.364 16.727) 16.731 0.537 ( 0.000 11.810 21.484) 24.516 0.732 ( 0.000 24.181 23.448) 33.683 1.952 ( -0.000 -4.521 -8.502) 9.629 2.003 ( -0.000 -0.180 -7.940) 7.942 2.049 ( -0.000 -1.460 -5.300) 5.497 2.257 ( 0.000 3.212 -7.281) 7.957 2.513 ( -0.000 -7.871 2.474) 8.251 2.607 ( -0.000 -2.780 -5.574) 6.229 2.684 ( 0.000 1.724 5.031) 5.318 2.826 ( 0.000 5.821 0.626) 5.854 2.969 ( -0.000 -2.188 1.291) 2.541 3.060 ( 0.000 0.388 -0.446) 0.591 3.167 ( 0.000 3.357 4.310) 5.463 3.291 ( 0.000 0.929 -6.354) 6.421 3.751 ( -0.000 -10.441 3.289) 10.946 3.882 ( 0.000 0.133 6.779) 6.780 3.940 ( 0.000 9.791 -0.726) 9.818 4.125 ( -0.000 -3.925 -9.450) 10.233 4.265 ( 0.000 3.259 -0.859) 3.371 4.380 ( -0.000 -0.471 -1.432) 1.508 4.494 ( 0.000 0.524 -3.699) 3.736 4.601 ( 0.000 0.086 1.292) 1.295 4.833 ( -0.000 -2.221 6.610) 6.974 4.883 ( -0.000 -0.341 2.558) 2.580 5.225 ( -0.000 -6.531 5.030) 8.243 5.402 ( 0.000 2.886 -0.885) 3.019 5.476 ( -0.000 -0.098 -0.015) 0.099 5.486 ( 0.000 0.711 -0.127) 0.722 5.522 ( 0.000 8.741 -3.537) 9.430 ======================= Grid point 178 (62/172) ======================= q-point: ( 0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 14.781 -0.000 -13.700) 20.154 1.688 ( 9.949 -0.000 -8.042) 12.793 1.909 ( 1.065 -0.000 1.937) 2.210 1.967 ( 6.314 -0.000 -3.262) 7.106 2.216 ( 2.277 -0.000 -2.050) 3.064 2.361 ( -0.821 0.000 -8.312) 8.352 2.437 ( 1.244 -0.000 1.686) 2.096 2.478 ( -3.318 0.000 -2.156) 3.956 2.793 ( -6.275 0.000 8.844) 10.844 2.838 ( 2.316 -0.000 -0.241) 2.329 2.957 ( 4.304 -0.000 2.775) 5.121 3.091 ( 5.203 -0.000 -1.984) 5.569 3.264 ( 20.615 -0.000 2.165) 20.729 3.321 ( 0.902 -0.000 -1.181) 1.486 3.398 ( 2.506 -0.000 5.081) 5.666 3.615 ( -7.294 0.000 4.639) 8.644 3.714 ( -5.059 0.000 0.063) 5.059 4.079 ( -1.954 0.000 0.757) 2.095 4.157 ( 0.173 -0.000 -1.243) 1.255 4.190 ( 0.628 -0.000 0.521) 0.816 4.420 ( 4.643 -0.000 2.039) 5.071 4.532 ( -0.880 0.000 1.858) 2.056 4.563 ( -0.437 0.000 4.370) 4.391 4.675 ( 1.920 -0.000 0.628) 2.020 4.882 ( -0.512 0.000 -0.622) 0.805 5.003 ( 1.704 -0.000 -2.322) 2.880 5.168 ( 5.996 -0.000 -0.350) 6.006 5.290 ( -2.944 0.000 -1.299) 3.218 5.718 ( -0.961 0.000 0.536) 1.101 6.011 ( -3.355 0.000 -3.561) 4.893 ======================= Grid point 179 (63/172) ======================= q-point: ( 0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 2.465 2.516 -11.956) 12.464 1.774 ( 2.294 -1.612 -12.693) 12.999 1.973 ( 6.139 0.487 -2.187) 6.535 2.131 ( 7.340 1.060 -1.882) 7.651 2.231 ( -0.972 2.420 0.909) 2.762 2.316 ( -5.140 -4.086 -4.651) 8.047 2.439 ( 1.127 0.931 -1.526) 2.113 2.453 ( 0.875 -0.945 -1.626) 2.074 2.703 ( -2.195 0.530 8.854) 9.137 2.852 ( -0.099 -1.114 0.012) 1.119 3.056 ( 5.792 -0.101 3.574) 6.806 3.159 ( 1.585 0.599 -2.984) 3.432 3.348 ( 0.685 1.566 0.432) 1.763 3.363 ( 1.071 -1.280 -0.042) 1.670 3.467 ( -7.736 -0.699 5.672) 9.618 3.607 ( -3.805 -1.120 3.753) 5.460 3.688 ( 13.952 0.254 1.427) 14.027 4.027 ( -2.507 -0.280 1.429) 2.899 4.166 ( 0.089 1.196 1.465) 1.893 4.226 ( 3.825 -0.783 1.759) 4.282 4.493 ( -1.807 1.031 2.529) 3.275 4.502 ( 3.420 -0.468 0.113) 3.454 4.590 ( 2.815 -0.434 2.405) 3.728 4.729 ( 2.591 -0.142 -0.664) 2.679 4.855 ( -2.793 0.129 0.275) 2.810 5.024 ( 0.628 0.088 -2.756) 2.828 5.221 ( -3.755 0.314 -0.406) 3.790 5.295 ( 6.354 -0.077 -1.230) 6.473 5.678 ( -2.607 -0.095 0.244) 2.621 5.928 ( -4.951 0.805 -2.961) 5.825 ======================= Grid point 180 (64/172) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -1.170 1.921 -8.865) 9.146 1.797 ( 0.025 -1.000 -13.508) 13.545 2.052 ( -3.202 2.039 -1.629) 4.131 2.092 ( -3.393 -0.277 -3.709) 5.035 2.224 ( -0.912 -0.669 -0.883) 1.435 2.287 ( -0.425 -5.138 -3.014) 5.972 2.450 ( 1.265 0.162 -1.668) 2.100 2.490 ( 1.051 1.274 3.381) 3.763 2.731 ( 5.467 2.807 2.823) 6.763 2.870 ( 1.598 -0.877 -1.358) 2.273 3.129 ( 0.320 2.552 0.136) 2.575 3.156 ( -0.443 -0.137 0.874) 0.990 3.311 ( -1.402 0.517 0.954) 1.773 3.357 ( -3.882 -2.368 1.529) 4.797 3.456 ( 5.585 -0.321 3.299) 6.495 3.551 ( -1.309 -2.666 4.777) 5.625 3.840 ( 3.108 2.551 1.579) 4.320 4.006 ( -0.111 -1.232 1.491) 1.937 4.129 ( -3.212 1.864 4.191) 5.600 4.321 ( 3.729 0.121 2.853) 4.697 4.462 ( -1.003 -0.872 1.587) 2.070 4.555 ( 0.904 -0.203 -0.904) 1.295 4.647 ( 0.712 -0.119 -0.078) 0.726 4.759 ( 0.532 -0.182 -0.923) 1.081 4.777 ( -2.525 0.075 1.348) 2.864 5.026 ( -0.368 0.061 -3.037) 3.060 5.172 ( -0.689 0.249 0.590) 0.940 5.359 ( -0.839 -0.124 -1.247) 1.508 5.664 ( 2.087 0.139 -0.304) 2.113 5.835 ( -4.095 -0.051 -2.370) 4.731 ======================= Grid point 181 (65/172) ======================= q-point: (-0.58 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -3.820 0.241 -8.307) 9.146 1.762 ( -6.430 -0.590 -12.611) 14.168 1.908 ( -5.586 -1.610 -1.755) 6.073 2.037 ( -6.947 -2.122 5.514) 9.119 2.201 ( -0.469 -0.158 -6.033) 6.053 2.312 ( 0.735 -2.137 -5.568) 6.009 2.462 ( -0.699 1.859 1.349) 2.400 2.511 ( 2.501 -0.737 1.266) 2.898 2.818 ( 4.837 5.489 -0.452) 7.330 2.914 ( 2.360 -0.392 -1.789) 2.988 3.081 ( -3.673 1.921 0.865) 4.234 3.127 ( -1.813 -0.591 -1.068) 2.185 3.289 ( -0.310 -0.794 1.956) 2.133 3.352 ( 0.065 -1.616 0.003) 1.617 3.518 ( 2.751 1.645 6.858) 7.570 3.621 ( 4.147 -2.352 2.330) 5.307 3.819 ( -2.452 6.087 2.814) 7.141 4.006 ( -3.232 -4.292 2.592) 5.965 4.071 ( 0.585 0.304 3.386) 3.449 4.307 ( -6.092 2.024 1.280) 6.546 4.447 ( -0.872 -0.007 2.035) 2.214 4.521 ( -3.236 -0.856 0.922) 3.472 4.586 ( -2.108 -0.118 1.099) 2.381 4.747 ( -1.382 0.211 -1.064) 1.757 4.837 ( 3.745 -0.446 -0.451) 3.799 5.013 ( -0.904 -0.249 -2.939) 3.084 5.203 ( 3.764 -0.107 0.061) 3.766 5.284 ( -5.781 -0.573 -0.753) 5.857 5.714 ( 1.536 2.139 -0.700) 2.725 5.809 ( 1.373 -3.891 -1.909) 4.546 ======================= Grid point 182 (66/172) ======================= q-point: (-0.50 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -13.440 -1.458 -5.133) 14.460 1.590 ( -7.868 -1.129 -9.561) 12.433 1.851 ( -4.438 -1.191 0.350) 4.608 1.891 ( -6.605 -2.650 1.180) 7.214 2.212 ( 0.787 -1.523 -6.188) 6.421 2.340 ( 1.593 -0.276 -5.246) 5.490 2.427 ( -1.487 1.686 1.359) 2.626 2.562 ( 2.071 -0.276 -0.429) 2.133 2.834 ( -1.471 3.212 -1.933) 4.027 2.949 ( 0.363 -1.005 -0.294) 1.108 3.000 ( -2.975 3.660 -1.057) 4.833 3.093 ( -1.858 0.905 -0.179) 2.075 3.263 ( -4.688 1.981 2.476) 5.660 3.372 ( 1.965 -1.399 -0.450) 2.454 3.488 ( -7.949 4.860 4.923) 10.537 3.639 ( 2.707 0.674 5.486) 6.154 3.768 ( -2.532 2.626 1.405) 3.909 3.971 ( -1.904 -6.551 3.587) 7.707 4.120 ( 2.380 0.159 -0.172) 2.392 4.165 ( -3.255 -1.867 0.958) 3.873 4.441 ( -2.473 0.183 2.237) 3.339 4.475 ( -0.094 0.102 1.628) 1.633 4.594 ( 2.636 1.332 2.595) 3.932 4.718 ( -0.756 0.670 -0.258) 1.042 4.866 ( -0.500 -0.305 -0.814) 1.003 4.997 ( -0.961 -0.320 -2.334) 2.545 5.170 ( -5.209 0.043 0.009) 5.209 5.300 ( 5.028 0.031 -1.629) 5.285 5.707 ( -0.982 -0.118 -0.179) 1.005 5.882 ( 2.805 -4.116 -2.119) 5.413 ======================= Grid point 183 (67/172) ======================= q-point: (-0.42 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -14.967 1.609 -0.742) 15.071 1.371 ( -15.013 2.529 -7.764) 17.090 1.755 ( -4.677 -5.720 1.256) 7.495 1.864 ( -0.265 -4.410 -2.075) 4.881 2.212 ( -2.479 -0.509 -4.227) 4.927 2.356 ( -0.715 0.927 -4.522) 4.671 2.410 ( 0.586 1.265 -1.505) 2.052 2.562 ( -3.800 2.920 -3.771) 6.099 2.740 ( -8.134 -0.492 1.343) 8.259 2.813 ( -9.383 4.725 1.080) 10.561 2.977 ( 0.087 2.388 -1.276) 2.709 3.034 ( -4.945 0.791 2.055) 5.413 3.157 ( 0.089 6.377 4.027) 7.543 3.321 ( -5.263 1.676 -1.964) 5.862 3.404 ( -1.376 1.372 2.877) 3.472 3.628 ( -6.371 -6.231 2.112) 9.158 3.752 ( 4.123 -1.983 3.137) 5.547 3.985 ( -0.246 -3.812 2.264) 4.441 4.158 ( 2.213 -1.323 -1.047) 2.783 4.196 ( 2.030 0.486 -0.765) 2.223 4.384 ( -1.858 0.925 2.957) 3.613 4.478 ( 0.150 0.543 -3.309) 3.357 4.661 ( 5.149 2.312 4.979) 7.526 4.729 ( 1.791 1.131 2.331) 3.150 4.842 ( -1.861 -1.685 -0.381) 2.539 4.978 ( -0.935 0.735 -1.229) 1.710 5.103 ( -1.349 0.235 1.367) 1.935 5.382 ( 4.218 1.968 -2.646) 5.354 5.679 ( -2.471 -1.029 0.482) 2.719 5.934 ( 0.158 -4.674 -2.867) 5.485 ======================= Grid point 184 (68/172) ======================= q-point: (-0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -13.687 7.725 4.035) 16.226 1.033 ( -17.011 7.490 -4.088) 19.031 1.716 ( -5.266 -8.371 -4.057) 10.689 1.909 ( 1.714 -4.416 1.105) 4.865 2.048 ( -14.885 9.273 4.843) 18.194 2.248 ( -8.254 3.206 -6.874) 11.209 2.344 ( -5.805 4.098 -5.040) 8.711 2.443 ( -0.232 -1.277 -5.998) 6.137 2.654 ( -0.262 -0.032 2.217) 2.232 2.713 ( -4.635 -1.976 3.036) 5.883 2.920 ( -2.899 2.550 1.562) 4.165 2.972 ( -1.050 2.354 -1.639) 3.055 3.157 ( -0.267 1.688 2.056) 2.674 3.250 ( -0.898 0.035 -1.595) 1.830 3.331 ( -4.253 2.882 2.314) 5.635 3.576 ( -3.512 -8.706 2.675) 9.761 3.849 ( 3.817 -4.454 0.775) 5.917 3.987 ( -1.431 -1.854 2.142) 3.174 4.145 ( -2.552 1.660 -2.635) 4.026 4.241 ( 2.641 0.266 -1.022) 2.844 4.377 ( 1.407 1.410 2.507) 3.202 4.496 ( 2.142 1.396 -7.917) 8.320 4.709 ( -2.747 0.717 1.456) 3.191 4.752 ( 3.595 0.850 4.392) 5.738 4.849 ( 1.316 -2.024 3.884) 4.574 4.979 ( 3.272 3.145 1.811) 4.886 5.117 ( 2.688 0.239 2.921) 3.976 5.442 ( 3.841 4.508 -3.027) 6.651 5.622 ( -3.891 -0.443 0.893) 4.017 5.929 ( -3.494 -5.348 -4.179) 7.634 ======================= Grid point 185 (69/172) ======================= q-point: (-0.25 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -15.404 11.801 -0.096) 19.405 0.770 ( -4.277 16.296 10.630) 19.922 1.407 ( -22.939 17.008 11.992) 30.972 1.842 ( -1.053 -5.487 -7.214) 9.124 2.000 ( 2.517 -1.733 -1.504) 3.406 2.102 ( -6.983 -1.259 -5.740) 9.126 2.275 ( 0.673 3.328 -6.009) 6.903 2.444 ( -1.852 -3.571 -3.315) 5.212 2.605 ( -5.335 -3.024 0.089) 6.133 2.684 ( 1.326 0.145 1.823) 2.259 2.895 ( 0.333 1.095 0.757) 1.372 2.941 ( -0.521 2.346 0.211) 2.412 3.120 ( -2.640 0.557 2.229) 3.500 3.233 ( -1.660 4.846 1.210) 5.263 3.286 ( 1.658 -0.085 -2.459) 2.967 3.575 ( -1.574 -11.145 3.077) 11.669 3.911 ( -0.651 -0.427 5.087) 5.146 3.964 ( -0.286 -5.241 -0.966) 5.337 4.101 ( -0.576 2.650 -6.393) 6.945 4.286 ( 2.610 1.621 -0.970) 3.222 4.393 ( 0.267 1.284 0.234) 1.332 4.518 ( -0.174 0.972 -7.959) 8.020 4.630 ( -3.701 -0.747 -0.072) 3.776 4.806 ( 2.197 0.874 6.514) 6.930 4.872 ( 0.501 -0.441 3.181) 3.250 5.084 ( 7.760 1.397 5.512) 9.620 5.204 ( 8.325 2.173 4.324) 9.630 5.477 ( 2.389 5.850 -2.799) 6.911 5.546 ( -3.646 0.991 0.730) 3.848 5.837 ( -9.887 -4.614 -6.099) 12.500 ======================= Grid point 186 (70/172) ======================= q-point: (-0.17 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 0.000 12.918 5.972) 14.232 0.689 ( 0.000 17.817 16.244) 24.110 0.994 ( 0.000 27.094 18.375) 32.737 1.879 ( -0.000 -8.505 -9.154) 12.495 2.022 ( -0.000 -4.288 -4.260) 6.045 2.031 ( 0.000 4.969 -6.350) 8.064 2.293 ( 0.000 3.680 -6.754) 7.692 2.429 ( -0.000 -8.198 2.222) 8.494 2.574 ( -0.000 -3.594 -3.621) 5.101 2.697 ( 0.000 0.812 2.645) 2.767 2.879 ( 0.000 4.153 -1.255) 4.338 2.950 ( -0.000 -1.434 3.782) 4.045 3.072 ( 0.000 2.395 -0.132) 2.398 3.203 ( 0.000 3.555 3.349) 4.884 3.303 ( 0.000 1.307 -5.075) 5.240 3.629 ( -0.000 -13.438 2.892) 13.745 3.884 ( 0.000 0.272 6.504) 6.510 3.997 ( -0.000 -0.762 -2.471) 2.585 4.090 ( -0.000 -0.372 -7.484) 7.493 4.309 ( 0.000 4.756 -3.146) 5.702 4.374 ( -0.000 -0.837 -1.427) 1.654 4.495 ( -0.000 -0.141 -2.343) 2.347 4.604 ( 0.000 0.626 -0.922) 1.114 4.823 ( 0.000 0.416 7.099) 7.111 4.878 ( -0.000 -0.361 2.779) 2.803 5.172 ( -0.000 -4.179 5.461) 6.876 5.426 ( 0.000 2.332 0.823) 2.473 5.476 ( 0.000 0.148 0.043) 0.154 5.494 ( 0.000 0.911 -0.156) 0.924 5.606 ( 0.000 7.655 -5.521) 9.438 ======================= Grid point 191 (71/172) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -2.140 0.000 -9.290) 9.534 1.789 ( 0.884 -0.000 -13.457) 13.486 2.070 ( 1.914 -0.000 -1.522) 2.446 2.086 ( -11.057 0.000 -2.623) 11.364 2.219 ( -1.583 0.000 0.029) 1.584 2.260 ( 2.345 -0.000 -4.675) 5.230 2.451 ( 1.561 -0.000 -1.613) 2.245 2.496 ( 0.424 -0.000 3.843) 3.867 2.747 ( 6.223 -0.000 1.583) 6.421 2.864 ( 1.695 -0.000 -0.879) 1.910 3.148 ( 2.098 -0.000 2.599) 3.340 3.151 ( -1.868 0.000 -1.489) 2.389 3.317 ( -1.308 0.000 -1.664) 2.116 3.339 ( -4.969 0.000 4.506) 6.708 3.455 ( 6.904 -0.000 1.672) 7.104 3.537 ( -1.986 0.000 6.622) 6.914 3.854 ( 3.562 -0.000 0.988) 3.697 3.999 ( -0.403 0.000 1.331) 1.391 4.139 ( -3.668 0.000 4.755) 6.006 4.321 ( 4.800 -0.000 2.224) 5.290 4.457 ( -1.544 0.000 1.832) 2.396 4.554 ( 1.055 -0.000 -0.907) 1.391 4.647 ( 0.873 -0.000 -0.037) 0.874 4.758 ( 0.459 -0.000 -0.909) 1.018 4.778 ( -2.763 0.000 1.389) 3.093 5.026 ( -0.421 0.000 -3.038) 3.067 5.173 ( -0.802 0.000 0.552) 0.974 5.358 ( -0.965 0.000 -1.223) 1.558 5.665 ( 2.434 -0.000 -0.329) 2.456 5.834 ( -4.751 0.000 -2.363) 5.307 ======================= Grid point 192 (72/172) ======================= q-point: (-0.67 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -4.401 0.222 -8.483) 9.559 1.758 ( -7.151 -0.165 -12.646) 14.529 1.897 ( -5.747 -0.602 -1.025) 5.869 2.021 ( -6.590 -0.900 6.538) 9.327 2.199 ( -0.536 -0.066 -6.567) 6.589 2.298 ( 1.538 -0.745 -5.815) 6.061 2.478 ( -1.194 1.067 3.890) 4.207 2.503 ( 2.900 -0.718 -0.995) 3.149 2.862 ( 5.264 3.089 -1.094) 6.201 2.904 ( 1.752 -1.281 -2.747) 3.501 3.098 ( -4.507 1.199 0.408) 4.681 3.121 ( -1.358 -0.420 -0.720) 1.593 3.285 ( -0.699 -0.163 2.181) 2.296 3.338 ( 1.082 -0.914 -0.034) 1.416 3.533 ( 2.161 1.165 7.227) 7.633 3.600 ( 6.724 -1.454 2.963) 7.491 3.870 ( -0.814 3.569 2.007) 4.175 3.966 ( -6.177 -3.027 3.180) 7.578 4.074 ( 0.424 0.223 3.695) 3.726 4.321 ( -7.113 0.794 1.001) 7.227 4.448 ( 0.416 0.227 1.846) 1.906 4.512 ( -4.096 -0.683 1.345) 4.365 4.586 ( -1.454 0.083 0.819) 1.671 4.748 ( -1.353 0.019 -1.106) 1.748 4.834 ( 3.994 -0.165 -0.586) 4.040 5.012 ( -1.021 -0.092 -2.978) 3.149 5.202 ( 3.832 -0.014 0.132) 3.834 5.280 ( -5.906 -0.241 -0.638) 5.945 5.739 ( 2.043 2.811 -1.055) 3.632 5.772 ( 0.125 -3.439 -1.556) 3.777 ======================= Grid point 193 (73/172) ======================= q-point: (-0.58 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -13.013 -1.203 -4.852) 13.940 1.586 ( -7.166 -0.040 -7.610) 10.453 1.843 ( -3.744 -0.515 -3.113) 4.897 1.868 ( -8.366 -1.741 4.248) 9.543 2.199 ( 0.241 -0.962 -6.533) 6.608 2.338 ( 2.475 -0.131 -4.970) 5.554 2.442 ( -1.542 1.175 2.591) 3.236 2.558 ( 2.214 -0.437 -1.548) 2.737 2.856 ( -4.607 1.228 -2.018) 5.178 2.944 ( 1.441 0.014 -1.673) 2.208 3.029 ( -1.753 2.130 -1.741) 3.262 3.099 ( -1.583 0.319 -0.234) 1.632 3.287 ( -0.867 2.749 1.595) 3.294 3.352 ( 1.518 -2.434 -0.509) 2.913 3.539 ( -5.251 5.152 5.641) 9.270 3.636 ( -2.088 -1.437 4.879) 5.498 3.800 ( -3.426 3.788 2.730) 5.791 3.905 ( -1.488 -6.435 4.619) 8.060 4.124 ( 0.512 0.558 -0.154) 0.773 4.147 ( -2.513 -1.759 0.605) 3.127 4.443 ( -2.897 0.206 2.761) 4.008 4.475 ( 0.800 -0.025 1.784) 1.955 4.609 ( 3.444 1.389 2.055) 4.244 4.722 ( -0.710 0.103 -0.761) 1.046 4.864 ( -0.692 -0.127 -0.856) 1.108 4.994 ( -0.842 -0.265 -2.429) 2.585 5.170 ( -5.110 -0.010 0.129) 5.111 5.300 ( 5.589 -0.047 -1.614) 5.817 5.707 ( -1.901 0.054 -0.467) 1.958 5.848 ( 3.078 -2.486 -1.653) 4.288 ======================= Grid point 194 (74/172) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -12.368 1.416 -2.314) 12.662 1.403 ( -11.761 3.514 -6.373) 13.831 1.704 ( -7.389 -4.419 4.538) 9.732 1.818 ( -1.916 -4.586 -2.587) 5.603 2.202 ( -1.323 -1.086 -5.645) 5.899 2.365 ( -0.342 0.662 -3.189) 3.275 2.429 ( 1.178 2.274 -1.736) 3.094 2.574 ( -1.741 -0.110 -4.288) 4.629 2.736 ( -6.555 -0.287 2.300) 6.953 2.871 ( -9.862 5.967 -1.912) 11.684 2.995 ( -0.453 1.421 -1.713) 2.271 3.038 ( -4.575 0.120 2.125) 5.046 3.228 ( -0.479 7.777 4.031) 8.772 3.340 ( -7.569 1.981 -0.314) 7.831 3.412 ( 0.080 0.157 0.758) 0.778 3.557 ( -9.255 -8.176 2.930) 12.692 3.733 ( 0.874 -1.539 3.741) 4.139 3.953 ( 2.079 -2.503 4.050) 5.195 4.145 ( 3.272 -1.245 -1.459) 3.793 4.200 ( 2.032 0.282 -2.026) 2.883 4.390 ( -1.689 0.418 3.452) 3.865 4.486 ( 0.707 0.920 -2.687) 2.927 4.684 ( 5.172 2.151 4.621) 7.261 4.737 ( 1.882 0.563 1.410) 2.418 4.827 ( -2.876 -1.318 -0.652) 3.230 4.984 ( -0.063 0.442 -1.009) 1.103 5.106 ( -1.248 0.264 1.678) 2.108 5.399 ( 5.260 1.342 -2.877) 6.144 5.670 ( -2.393 -0.731 0.266) 2.516 5.893 ( -0.058 -3.421 -2.231) 4.085 ======================= Grid point 195 (75/172) ======================= q-point: (-0.42 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -10.884 7.619 -0.803) 13.310 1.128 ( -11.892 10.541 -1.186) 15.935 1.626 ( -5.360 -9.258 -2.898) 11.083 1.841 ( 0.823 -8.625 2.358) 8.980 2.119 ( -8.055 4.711 -0.032) 9.331 2.298 ( -8.259 5.613 -4.027) 10.767 2.391 ( -6.722 5.210 -3.373) 9.149 2.446 ( -2.800 2.048 -7.695) 8.441 2.654 ( -0.754 0.268 2.824) 2.935 2.701 ( -5.311 -0.303 4.343) 6.867 2.941 ( -3.738 1.536 1.508) 4.314 2.985 ( -1.367 0.223 -2.779) 3.105 3.160 ( -4.923 -1.650 2.120) 5.608 3.255 ( 0.273 1.579 1.131) 1.961 3.363 ( -3.319 3.046 1.545) 4.762 3.498 ( -2.690 -6.545 1.335) 7.201 3.790 ( 2.315 -6.616 0.065) 7.010 3.978 ( -0.731 -0.342 3.944) 4.026 4.162 ( -1.435 1.803 -3.805) 4.448 4.238 ( 2.509 -0.945 -1.772) 3.214 4.388 ( 1.491 0.830 2.266) 2.837 4.513 ( 2.702 1.947 -7.493) 8.200 4.700 ( -5.042 -1.587 0.255) 5.292 4.772 ( 3.605 2.039 4.022) 5.774 4.830 ( 2.360 -1.391 3.997) 4.846 5.006 ( 3.614 2.117 1.960) 4.624 5.124 ( 3.452 1.073 3.800) 5.245 5.484 ( 4.767 3.598 -3.332) 6.839 5.620 ( -2.908 0.247 0.567) 2.973 5.878 ( -3.755 -4.816 -3.129) 6.862 ======================= Grid point 196 (76/172) ======================= q-point: (-0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -11.623 14.471 -3.083) 18.815 0.944 ( -0.571 17.853 8.532) 19.795 1.510 ( -12.791 1.306 -0.453) 12.866 1.840 ( -5.848 5.314 2.681) 8.344 1.940 ( -1.441 -7.218 1.728) 7.560 2.123 ( -3.424 4.186 -6.276) 8.284 2.307 ( -0.784 3.264 -3.906) 5.150 2.422 ( -2.210 -1.101 -5.784) 6.289 2.576 ( -6.704 -2.840 0.589) 7.305 2.680 ( 1.532 -0.678 1.748) 2.421 2.903 ( -0.025 0.519 0.871) 1.014 2.954 ( -1.610 0.077 -0.142) 1.618 3.124 ( -0.339 -0.828 3.027) 3.156 3.247 ( -2.757 -1.912 2.946) 4.465 3.306 ( 0.771 3.952 -1.558) 4.318 3.485 ( -1.698 -5.689 0.533) 5.961 3.870 ( 1.954 -7.713 -0.795) 7.996 3.932 ( -3.381 -0.555 4.777) 5.879 4.131 ( -0.133 3.093 -6.778) 7.451 4.291 ( 2.720 -0.597 -1.291) 3.070 4.405 ( -0.310 0.792 -1.094) 1.386 4.530 ( -1.269 1.549 -6.246) 6.560 4.619 ( -2.309 -1.396 -1.304) 2.997 4.814 ( 1.570 0.060 3.101) 3.476 4.875 ( 1.830 1.389 6.138) 6.554 5.088 ( 4.371 -0.249 4.367) 6.184 5.235 ( 10.186 3.354 4.747) 11.728 5.521 ( 0.045 2.295 -1.808) 2.922 5.570 ( -0.886 4.415 -0.598) 4.542 5.794 ( -7.605 -4.015 -4.390) 9.655 ======================= Grid point 197 (77/172) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 0.000 18.307 -1.227) 18.348 0.878 ( 0.000 19.782 12.114) 23.196 1.244 ( 0.000 21.515 11.001) 24.164 1.804 ( -0.000 -5.163 -5.956) 7.883 1.958 ( -0.000 -8.829 -2.274) 9.117 2.091 ( 0.000 6.619 -5.229) 8.436 2.326 ( 0.000 2.959 -6.352) 7.008 2.362 ( -0.000 -5.117 1.258) 5.269 2.536 ( -0.000 -4.180 -3.073) 5.188 2.699 ( -0.000 -0.257 1.818) 1.836 2.903 ( 0.000 0.801 -3.815) 3.898 2.941 ( -0.000 -0.543 5.927) 5.951 3.108 ( 0.000 4.678 0.699) 4.730 3.223 ( -0.000 -0.930 4.738) 4.828 3.315 ( 0.000 1.047 -3.586) 3.736 3.505 ( -0.000 -9.786 1.064) 9.844 3.887 ( 0.000 0.387 6.109) 6.121 3.938 ( -0.000 -8.530 -2.140) 8.794 4.117 ( 0.000 3.624 -7.571) 8.393 4.342 ( 0.000 1.400 -3.277) 3.564 4.364 ( -0.000 -1.006 -1.418) 1.738 4.498 ( 0.000 0.888 -0.960) 1.308 4.612 ( 0.000 0.703 -4.040) 4.101 4.830 ( 0.000 0.109 4.213) 4.215 4.883 ( 0.000 1.717 5.462) 5.726 5.139 ( -0.000 -2.514 5.500) 6.047 5.450 ( 0.000 2.367 1.716) 2.924 5.478 ( 0.000 0.300 0.100) 0.316 5.503 ( 0.000 0.918 -0.176) 0.935 5.672 ( 0.000 5.753 -5.439) 7.917 ======================= Grid point 204 (78/172) ======================= q-point: (-0.67 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -12.818 0.000 -5.000) 13.759 1.586 ( -6.902 0.000 -6.558) 9.521 1.840 ( -2.662 0.000 -6.494) 7.018 1.859 ( -9.886 0.000 7.375) 12.334 2.194 ( 0.019 -0.000 -6.653) 6.653 2.337 ( 2.807 -0.000 -4.902) 5.649 2.448 ( -1.521 0.000 3.245) 3.583 2.555 ( 2.228 -0.000 -2.172) 3.112 2.861 ( -5.785 0.000 -1.677) 6.023 2.945 ( 1.893 -0.000 -2.438) 3.087 3.040 ( -1.327 0.000 -1.816) 2.249 3.100 ( -1.563 0.000 -0.371) 1.607 3.308 ( 2.833 -0.000 0.853) 2.958 3.333 ( -0.940 0.000 -0.263) 0.976 3.575 ( 0.011 -0.000 6.181) 6.181 3.620 ( -8.621 0.000 4.338) 9.651 3.838 ( -6.302 0.000 2.137) 6.654 3.853 ( 1.813 -0.000 6.125) 6.387 4.131 ( -6.742 0.000 1.208) 6.849 4.133 ( 4.324 -0.000 -0.872) 4.411 4.445 ( -3.388 0.000 2.976) 4.510 4.475 ( 1.484 -0.000 1.907) 2.416 4.616 ( 3.748 -0.000 1.804) 4.160 4.722 ( -0.723 0.000 -0.955) 1.197 4.863 ( -0.760 0.000 -0.872) 1.157 4.993 ( -0.810 0.000 -2.479) 2.608 5.170 ( -5.070 0.000 0.180) 5.073 5.299 ( 5.788 -0.000 -1.599) 6.005 5.707 ( -2.359 0.000 -0.600) 2.435 5.836 ( 3.297 -0.000 -1.454) 3.603 ======================= Grid point 206 (79/172) ======================= q-point: (-0.58 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -10.364 0.665 -5.394) 11.702 1.432 ( -9.277 1.743 -3.365) 10.021 1.672 ( -9.440 -1.705 6.968) 11.856 1.782 ( -3.565 -2.148 -3.585) 5.493 2.194 ( -0.673 -0.441 -6.443) 6.493 2.369 ( -0.312 0.249 -2.697) 2.726 2.448 ( 2.006 1.151 -0.882) 2.475 2.569 ( -1.781 -0.508 -5.281) 5.596 2.735 ( -5.826 -0.105 2.836) 6.481 2.915 ( -6.724 2.417 -4.141) 8.258 3.007 ( -2.120 0.821 -1.621) 2.792 3.037 ( -4.720 -0.283 2.300) 5.258 3.303 ( -0.048 6.108 1.345) 6.255 3.358 ( -4.895 1.142 3.862) 6.339 3.414 ( -4.705 1.209 0.033) 4.858 3.471 ( -9.936 -8.150 2.229) 13.043 3.724 ( -2.031 -0.292 4.148) 4.628 3.936 ( 3.914 -0.909 5.300) 6.651 4.136 ( 3.910 -0.495 -1.734) 4.306 4.201 ( 1.962 0.079 -2.843) 3.455 4.393 ( -1.569 0.106 3.787) 4.101 4.493 ( 1.055 0.441 -2.155) 2.439 4.700 ( 4.716 0.871 4.778) 6.769 4.741 ( 2.323 0.180 0.447) 2.373 4.817 ( -3.613 -0.522 -0.875) 3.754 4.987 ( 0.450 0.127 -0.902) 1.016 5.108 ( -1.093 0.123 1.882) 2.180 5.408 ( 5.879 0.470 -2.996) 6.615 5.665 ( -2.280 -0.261 0.102) 2.297 5.869 ( -0.235 -1.254 -1.830) 2.231 ======================= Grid point 207 (80/172) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -6.810 6.948 -7.265) 12.142 1.223 ( -8.972 7.464 1.238) 11.736 1.544 ( -6.539 -6.460 2.276) 9.469 1.753 ( -1.647 -8.006 1.449) 8.301 2.149 ( -4.059 1.757 -3.555) 5.675 2.335 ( -3.719 1.824 -2.395) 4.785 2.439 ( -4.390 3.837 -4.366) 7.284 2.475 ( -6.333 2.393 -8.368) 10.763 2.666 ( -2.271 1.776 4.773) 5.576 2.710 ( -7.140 2.585 5.995) 9.675 2.948 ( -4.441 -0.240 1.418) 4.668 2.978 ( -2.300 -1.295 -3.763) 4.596 3.127 ( -9.719 -3.959 4.043) 11.246 3.286 ( 0.042 4.157 1.384) 4.382 3.371 ( -3.076 -2.125 2.017) 4.248 3.462 ( 1.431 -0.329 -1.029) 1.793 3.730 ( 0.701 -4.952 0.091) 5.002 3.976 ( -0.350 -0.069 4.792) 4.805 4.181 ( -0.436 2.047 -4.310) 4.792 4.223 ( 2.066 -1.832 -2.925) 4.023 4.394 ( 1.503 0.356 2.418) 2.870 4.531 ( 3.185 1.487 -6.697) 7.563 4.685 ( -6.279 -1.331 0.918) 6.484 4.782 ( 1.811 0.005 0.537) 1.889 4.827 ( 4.354 0.483 5.786) 7.257 5.021 ( 3.356 0.879 1.880) 3.946 5.136 ( 4.379 0.992 4.354) 6.254 5.511 ( 4.865 1.789 -3.238) 6.112 5.626 ( -1.190 0.838 -0.164) 1.464 5.837 ( -4.244 -3.125 -2.261) 5.735 ======================= Grid point 208 (81/172) ======================= q-point: (-0.42 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -8.093 15.192 -4.368) 17.759 1.111 ( 2.048 14.778 4.618) 15.618 1.461 ( -7.111 -8.149 -6.000) 12.368 1.790 ( -0.649 -12.284 3.154) 12.699 2.002 ( -9.020 13.915 6.135) 17.681 2.166 ( -3.790 4.053 -4.309) 7.025 2.340 ( -1.728 3.446 -0.827) 3.942 2.416 ( -2.261 -0.295 -8.565) 8.863 2.548 ( -8.817 -2.620 1.015) 9.254 2.678 ( 1.723 0.511 2.953) 3.457 2.902 ( -0.572 -1.185 1.838) 2.261 2.941 ( -2.299 -2.647 -1.311) 3.743 3.083 ( 0.559 -6.285 4.640) 7.832 3.241 ( -3.726 1.265 1.910) 4.374 3.332 ( -0.999 0.775 -0.447) 1.341 3.475 ( 0.824 3.063 -0.902) 3.297 3.788 ( 1.436 -8.232 -1.908) 8.571 3.932 ( -3.319 0.169 5.392) 6.334 4.160 ( 0.077 2.746 -7.425) 7.917 4.277 ( 2.577 -1.862 -2.233) 3.885 4.408 ( -1.177 0.000 -1.896) 2.231 4.545 ( -2.645 1.336 -1.202) 3.198 4.606 ( 0.027 -1.013 -4.022) 4.148 4.808 ( 0.915 -0.979 -0.267) 1.366 4.896 ( 2.990 2.202 8.426) 9.208 5.085 ( 3.048 -0.260 4.041) 5.068 5.264 ( 10.132 2.397 4.578) 11.374 5.532 ( -1.274 0.501 -0.642) 1.512 5.622 ( -0.287 5.406 -1.943) 5.752 5.756 ( -4.778 -3.753 -3.526) 7.025 ======================= Grid point 209 (82/172) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 0.000 19.005 -3.459) 19.317 1.075 ( 0.000 19.548 9.243) 21.623 1.371 ( 0.000 2.022 -4.703) 5.119 1.822 ( 0.000 10.281 5.586) 11.701 1.848 ( -0.000 -12.798 -0.057) 12.798 2.155 ( 0.000 5.789 -3.509) 6.769 2.327 ( -0.000 -2.042 0.190) 2.051 2.350 ( 0.000 1.770 -5.497) 5.775 2.492 ( -0.000 -4.683 -3.437) 5.809 2.696 ( -0.000 -0.032 2.198) 2.198 2.902 ( -0.000 -0.599 -5.710) 5.741 2.932 ( -0.000 -1.759 7.123) 7.337 3.157 ( 0.000 4.717 1.055) 4.834 3.163 ( -0.000 -10.027 6.756) 12.091 3.323 ( 0.000 0.406 -2.231) 2.267 3.468 ( 0.000 2.019 -1.296) 2.399 3.848 ( -0.000 -9.202 -2.149) 9.450 3.892 ( 0.000 0.408 5.690) 5.704 4.150 ( 0.000 3.042 -8.267) 8.809 4.339 ( -0.000 -1.620 -3.805) 4.136 4.355 ( -0.000 -0.909 -1.407) 1.675 4.511 ( 0.000 1.538 1.744) 2.325 4.617 ( 0.000 0.451 -6.321) 6.338 4.823 ( -0.000 -1.161 0.490) 1.260 4.910 ( 0.000 3.152 8.390) 8.963 5.121 ( -0.000 -1.335 5.401) 5.563 5.472 ( 0.000 2.002 2.254) 3.015 5.481 ( 0.000 0.311 0.148) 0.344 5.511 ( 0.000 0.740 -0.187) 0.763 5.721 ( 0.000 3.974 -5.276) 6.606 ======================= Grid point 218 (83/172) ======================= q-point: (-0.58 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -3.544 0.000 -11.525) 12.058 1.260 ( -9.305 0.000 1.854) 9.488 1.511 ( -6.752 0.000 7.397) 10.015 1.707 ( -3.270 0.000 -0.010) 3.270 2.158 ( -2.988 0.000 -4.510) 5.409 2.343 ( -2.604 0.000 -2.010) 3.289 2.461 ( -3.778 0.000 -3.292) 5.011 2.483 ( -5.091 0.000 -10.372) 11.554 2.675 ( -2.886 0.000 4.841) 5.636 2.735 ( -8.134 0.000 7.972) 11.389 2.941 ( -5.973 0.000 0.719) 6.016 2.971 ( -2.741 0.000 -3.950) 4.808 3.104 ( -11.036 0.000 4.955) 12.097 3.322 ( -1.978 0.000 -0.311) 2.003 3.343 ( -0.955 0.000 3.744) 3.864 3.466 ( 3.358 -0.000 -2.016) 3.917 3.703 ( -0.332 0.000 0.294) 0.443 3.976 ( -0.226 0.000 5.045) 5.050 4.199 ( -1.201 0.000 -5.042) 5.183 4.206 ( 3.006 -0.000 -2.834) 4.131 4.396 ( 1.502 -0.000 2.548) 2.958 4.539 ( 3.433 -0.000 -6.476) 7.330 4.678 ( -6.813 0.000 1.548) 6.987 4.780 ( 1.301 -0.000 -0.968) 1.621 4.830 ( 4.926 -0.000 6.411) 8.085 5.025 ( 3.211 -0.000 1.844) 3.703 5.141 ( 4.743 -0.000 4.516) 6.549 5.519 ( 4.637 -0.000 -3.062) 5.557 5.632 ( -0.062 0.000 -0.670) 0.673 5.821 ( -4.635 0.000 -1.860) 4.994 ======================= Grid point 220 (84/172) ======================= q-point: (-0.50 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -5.825 11.728 -0.548) 13.106 1.195 ( 2.959 -0.178 -10.782) 11.183 1.407 ( -5.400 -0.642 3.629) 6.537 1.677 ( -1.944 -8.318 2.244) 8.832 2.110 ( -1.285 5.986 1.021) 6.207 2.198 ( -9.333 2.076 0.597) 9.580 2.372 ( -1.761 2.369 2.658) 3.973 2.414 ( -2.753 -0.163 -10.775) 11.122 2.526 ( -11.328 -1.571 1.082) 11.488 2.693 ( 1.536 2.056 5.832) 6.371 2.863 ( -1.228 -5.131 4.989) 7.261 2.921 ( -2.511 -0.696 -6.240) 6.762 3.040 ( 0.432 -1.895 4.749) 5.131 3.257 ( -3.893 1.301 1.102) 4.250 3.330 ( -0.740 -0.448 0.184) 0.885 3.516 ( 2.303 3.524 -0.348) 4.224 3.719 ( 0.758 -4.583 -2.683) 5.365 3.933 ( -3.236 0.091 5.322) 6.229 4.183 ( -0.028 1.509 -8.505) 8.638 4.259 ( 2.654 -1.334 -2.337) 3.780 4.407 ( -1.792 -0.084 -2.143) 2.795 4.554 ( -3.999 0.455 3.511) 5.341 4.599 ( 2.024 -0.335 -6.826) 7.127 4.800 ( 0.853 -0.445 -1.822) 2.060 4.912 ( 3.368 0.923 9.015) 9.668 5.083 ( 2.578 -0.088 3.879) 4.658 5.281 ( 9.839 0.844 4.440) 10.827 5.535 ( -1.303 0.124 -0.397) 1.367 5.672 ( -3.015 4.579 -2.082) 5.865 5.718 ( -0.903 -3.889 -3.358) 5.217 ======================= Grid point 221 (85/172) ======================= q-point: (-0.42 0.42 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 16.873 -1.517) 16.941 1.259 ( 0.000 16.584 7.386) 18.154 1.314 ( -0.000 -10.483 -16.285) 19.367 1.714 ( -0.000 -13.445 1.542) 13.533 1.972 ( 0.000 16.441 10.662) 19.596 2.194 ( 0.000 1.238 -0.453) 1.318 2.316 ( -0.000 -0.541 -0.359) 0.649 2.362 ( 0.000 0.822 -2.339) 2.479 2.446 ( -0.000 -4.173 -6.329) 7.581 2.704 ( 0.000 1.681 3.902) 4.249 2.892 ( -0.000 -6.456 6.399) 9.091 2.896 ( -0.000 -0.574 -6.796) 6.820 3.075 ( -0.000 -5.717 6.206) 8.437 3.196 ( 0.000 2.980 1.010) 3.146 3.324 ( -0.000 -0.117 -1.225) 1.230 3.514 ( 0.000 5.747 -0.679) 5.787 3.761 ( -0.000 -7.791 -2.778) 8.271 3.895 ( 0.000 0.270 5.369) 5.376 4.176 ( 0.000 2.076 -9.463) 9.688 4.319 ( -0.000 -1.943 -4.075) 4.514 4.347 ( -0.000 -0.543 -1.397) 1.499 4.524 ( 0.000 0.913 4.128) 4.228 4.620 ( 0.000 0.132 -7.012) 7.013 4.813 ( -0.000 -0.781 -1.650) 1.826 4.937 ( 0.000 2.077 9.427) 9.653 5.111 ( -0.000 -0.582 5.133) 5.166 5.484 ( 0.000 0.193 0.180) 0.264 5.488 ( 0.000 1.154 2.557) 2.805 5.517 ( 0.000 0.412 -0.192) 0.455 5.751 ( 0.000 2.056 -5.224) 5.614 ======================= Grid point 233 (86/172) ======================= q-point: ( 0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 0.000 0.000 6.812) 6.812 1.231 ( 0.000 0.000 -26.353) 26.353 1.362 ( 0.000 0.000 6.808) 6.808 1.626 ( -0.000 -0.000 2.031) 2.031 2.079 ( 0.000 0.000 9.440) 9.440 2.183 ( 0.000 0.000 2.541) 2.541 2.313 ( 0.000 0.000 -0.499) 0.499 2.368 ( -0.000 -0.000 3.154) 3.154 2.421 ( 0.000 0.000 -11.873) 11.873 2.720 ( 0.000 0.000 6.235) 6.235 2.844 ( 0.000 0.000 3.806) 3.806 2.893 ( 0.000 0.000 -7.156) 7.156 3.050 ( 0.000 0.000 6.185) 6.185 3.212 ( -0.000 -0.000 0.924) 0.924 3.323 ( 0.000 0.000 -0.824) 0.824 3.551 ( 0.000 0.000 0.470) 0.470 3.714 ( -0.000 -0.000 -3.763) 3.763 3.896 ( 0.000 0.000 5.249) 5.249 4.187 ( 0.000 0.000 -10.253) 10.253 4.308 ( -0.000 -0.000 -3.880) 3.880 4.345 ( 0.000 0.000 -1.394) 1.394 4.528 ( 0.000 0.000 4.975) 4.975 4.621 ( 0.000 0.000 -6.981) 6.981 4.809 ( 0.000 0.000 -2.483) 2.483 4.948 ( -0.000 -0.000 9.729) 9.729 5.109 ( 0.000 0.000 4.971) 4.971 5.485 ( 0.000 0.000 0.192) 0.192 5.494 ( 0.000 0.000 2.657) 2.657 5.519 ( 0.000 0.000 -0.194) 0.194 5.761 ( 0.000 0.000 -5.217) 5.217 ======================= Grid point 302 (87/172) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 0.000 0.000 15.244) 15.244 0.923 ( 0.000 0.000 22.565) 22.565 0.990 ( 0.000 0.000 12.644) 12.644 1.796 ( 0.000 0.000 -7.287) 7.287 1.811 ( 0.000 0.000 -11.579) 11.579 1.901 ( 0.000 0.000 -10.674) 10.674 2.140 ( 0.000 0.000 -0.948) 0.948 2.487 ( 0.000 0.000 -5.590) 5.590 2.624 ( 0.000 0.000 4.250) 4.250 2.811 ( 0.000 0.000 0.598) 0.598 2.816 ( 0.000 0.000 6.292) 6.292 3.021 ( 0.000 0.000 5.127) 5.127 3.049 ( 0.000 0.000 -0.607) 0.607 3.149 ( 0.000 0.000 -6.731) 6.731 3.203 ( 0.000 0.000 -0.225) 0.225 3.747 ( 0.000 0.000 -15.542) 15.542 3.919 ( 0.000 0.000 1.773) 1.773 3.947 ( 0.000 0.000 -3.051) 3.051 4.025 ( 0.000 0.000 7.671) 7.671 4.337 ( 0.000 0.000 6.979) 6.979 4.341 ( 0.000 0.000 -3.014) 3.014 4.459 ( 0.000 0.000 1.225) 1.225 4.635 ( 0.000 0.000 1.518) 1.518 4.827 ( 0.000 0.000 -3.861) 3.861 5.010 ( 0.000 0.000 6.839) 6.839 5.309 ( 0.000 0.000 -3.947) 3.947 5.358 ( 0.000 0.000 4.477) 4.477 5.476 ( 0.000 0.000 -0.052) 0.052 5.479 ( 0.000 0.000 -0.137) 0.137 5.481 ( 0.000 0.000 0.355) 0.355 ======================= Grid point 303 (88/172) ======================= q-point: ( 0.08 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -1.660 1.508 13.901) 14.081 0.823 ( 8.262 -4.282 11.689) 14.941 1.426 ( 25.599 -4.327 10.343) 27.947 1.762 ( -1.929 2.744 -11.593) 12.069 1.825 ( 2.296 -2.665 -5.810) 6.792 2.009 ( 8.921 0.059 -9.264) 12.861 2.125 ( -1.412 -1.534 0.701) 2.199 2.467 ( -1.480 1.118 -4.489) 4.857 2.665 ( 4.276 2.530 3.675) 6.180 2.798 ( -0.981 1.125 5.600) 5.795 2.846 ( 2.514 -1.943 0.450) 3.209 2.946 ( -3.027 -0.215 3.213) 4.420 3.121 ( -1.835 -1.138 -4.509) 4.999 3.159 ( 6.625 -0.266 1.592) 6.819 3.219 ( 1.234 -1.308 -1.546) 2.372 3.755 ( 1.571 3.190 -12.634) 13.125 3.899 ( -1.835 -0.089 0.675) 1.957 3.935 ( -1.522 -1.745 -3.339) 4.063 4.081 ( 5.138 0.004 7.340) 8.960 4.314 ( -1.278 2.825 5.881) 6.648 4.397 ( 3.521 1.149 -1.784) 4.111 4.456 ( -0.335 -0.464 0.806) 0.989 4.634 ( 0.444 -0.884 1.074) 1.460 4.821 ( -0.691 -0.313 -3.705) 3.782 4.992 ( -1.708 0.390 6.836) 7.057 5.167 ( -12.699 -1.836 5.579) 13.992 5.265 ( -6.141 1.469 2.150) 6.670 5.325 ( -1.992 -2.552 -2.772) 4.262 5.561 ( 5.833 0.007 1.622) 6.054 5.751 ( 11.136 0.482 -6.427) 12.866 ======================= Grid point 304 (89/172) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 11.041 -4.687 0.943) 12.032 1.058 ( 14.117 0.848 2.709) 14.400 1.720 ( 1.005 2.666 -9.391) 9.814 1.815 ( 6.542 -4.468 -5.409) 9.592 1.997 ( 13.723 -3.171 -2.506) 14.305 2.137 ( 5.807 -0.173 6.772) 8.922 2.177 ( 7.379 -1.435 -6.088) 9.673 2.443 ( 0.617 2.799 -2.480) 3.791 2.711 ( 1.099 -0.059 4.261) 4.401 2.810 ( 3.730 2.075 4.343) 6.089 2.899 ( 1.836 -1.545 0.173) 2.405 2.947 ( 3.069 0.197 2.658) 4.065 3.100 ( -1.435 -4.400 -1.309) 4.810 3.228 ( 1.774 1.403 -1.428) 2.675 3.320 ( 7.052 -1.949 1.768) 7.527 3.761 ( 1.102 5.825 -4.548) 7.471 3.857 ( -2.958 -0.724 -0.843) 3.160 3.926 ( -0.025 -3.313 -6.844) 7.604 4.178 ( 3.912 0.239 5.766) 6.972 4.268 ( -1.805 3.176 4.044) 5.450 4.406 ( 0.284 2.976 1.150) 3.203 4.462 ( 0.316 -0.810 2.193) 2.359 4.679 ( 2.826 -2.046 0.010) 3.489 4.799 ( -2.075 0.409 -2.486) 3.264 4.945 ( -2.948 1.011 5.153) 6.023 4.994 ( -6.711 -3.448 5.406) 9.282 5.154 ( -4.472 0.265 1.069) 4.606 5.305 ( -1.433 -1.966 -3.753) 4.473 5.661 ( 4.635 0.530 1.985) 5.070 5.890 ( 4.733 1.642 -6.628) 8.308 ======================= Grid point 305 (90/172) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 13.232 -4.253 -8.348) 16.213 1.297 ( 10.987 2.735 -7.362) 13.505 1.771 ( 5.911 0.423 -3.181) 6.726 1.900 ( 2.664 -0.462 -1.421) 3.054 2.095 ( 2.196 -1.418 -4.706) 5.383 2.220 ( 0.201 -0.103 -7.146) 7.149 2.403 ( 7.019 -0.719 1.079) 7.138 2.458 ( 2.497 1.977 -1.552) 3.543 2.791 ( 6.958 -1.304 4.490) 8.383 2.875 ( 4.331 2.354 4.565) 6.718 2.944 ( 2.786 0.005 -0.204) 2.793 3.042 ( 4.872 -1.562 2.586) 5.733 3.121 ( 3.149 -5.764 4.713) 8.084 3.261 ( 2.460 0.041 -1.838) 3.071 3.439 ( 4.324 -0.798 2.618) 5.117 3.743 ( -0.119 3.419 -0.136) 3.423 3.794 ( -4.082 -1.018 0.803) 4.283 3.970 ( 2.716 -2.465 -8.239) 9.019 4.189 ( -1.524 1.863 2.250) 3.295 4.225 ( -1.507 1.731 2.450) 3.358 4.426 ( 2.434 0.383 4.046) 4.737 4.494 ( 3.744 1.318 2.766) 4.838 4.714 ( -2.721 -1.886 3.770) 5.017 4.744 ( -1.338 -0.008 -0.079) 1.340 4.872 ( -3.127 0.565 0.734) 3.261 4.949 ( -0.559 -1.051 0.537) 1.306 5.113 ( 0.320 -0.354 0.683) 0.833 5.287 ( -1.427 -1.019 -3.692) 4.088 5.721 ( 1.975 0.986 1.651) 2.757 5.928 ( 0.536 2.436 -5.426) 5.972 ======================= Grid point 306 (91/172) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 9.819 -1.902 -13.237) 16.590 1.435 ( 5.283 0.794 -13.116) 14.162 1.883 ( 3.890 3.047 0.053) 4.942 1.988 ( 8.388 -0.795 2.883) 8.905 2.123 ( -0.017 2.230 -5.823) 6.235 2.230 ( 1.738 -1.485 -4.812) 5.327 2.410 ( -1.119 1.019 -0.006) 1.513 2.506 ( 0.313 -2.300 -2.781) 3.622 2.826 ( -1.153 1.489 2.739) 3.324 2.967 ( -0.366 -0.728 1.980) 2.141 3.011 ( 7.115 1.564 2.707) 7.772 3.078 ( 0.723 -2.268 2.064) 3.150 3.266 ( 4.463 0.727 -0.511) 4.550 3.345 ( 3.901 -1.679 -1.100) 4.387 3.537 ( 8.780 -2.624 7.361) 11.754 3.707 ( -4.544 -1.252 3.136) 5.662 3.735 ( -1.692 -2.228 0.742) 2.895 4.039 ( 3.473 -0.298 -4.826) 5.953 4.148 ( -1.068 1.217 2.220) 2.748 4.210 ( 1.326 0.307 1.548) 2.061 4.482 ( 3.235 -0.624 3.464) 4.781 4.559 ( 2.308 2.223 4.337) 5.393 4.646 ( -2.311 0.536 3.008) 3.831 4.718 ( -1.953 -1.250 2.456) 3.378 4.850 ( 0.447 0.927 -2.049) 2.293 4.948 ( -0.049 0.065 -3.192) 3.193 5.164 ( 4.404 -0.289 -0.096) 4.414 5.256 ( -2.124 -0.150 -2.504) 3.287 5.725 ( -0.954 0.834 1.045) 1.642 5.894 ( -2.458 2.884 -4.431) 5.831 ======================= Grid point 307 (92/172) ======================= q-point: ( 0.42 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 4.370 -0.153 -13.928) 14.599 1.507 ( 2.168 -0.435 -14.405) 14.574 1.931 ( 3.636 1.990 -0.203) 4.149 2.056 ( -2.200 0.499 -4.525) 5.057 2.173 ( 5.140 1.363 0.809) 5.379 2.294 ( 5.771 2.197 -2.037) 6.502 2.396 ( -0.501 -1.352 -1.037) 1.776 2.497 ( -2.685 -3.547 -1.821) 4.807 2.798 ( -0.251 1.210 3.659) 3.862 2.917 ( -4.202 -0.568 1.533) 4.509 3.092 ( 1.340 0.148 1.952) 2.372 3.140 ( 4.945 0.357 2.050) 5.365 3.310 ( 1.539 1.365 -1.535) 2.567 3.364 ( 0.088 -0.265 -1.452) 1.479 3.594 ( -4.007 -1.405 3.759) 5.671 3.656 ( -4.108 -0.829 0.466) 4.217 3.811 ( 7.804 -3.733 6.575) 10.866 4.081 ( 0.901 -2.146 0.918) 2.502 4.144 ( 0.516 2.830 2.479) 3.797 4.300 ( 7.254 -2.103 1.714) 7.745 4.531 ( -0.068 0.602 3.414) 3.467 4.546 ( 0.181 0.030 3.546) 3.551 4.636 ( 0.910 1.093 2.817) 3.156 4.719 ( 1.238 -0.172 -0.882) 1.530 4.837 ( -2.103 1.192 -1.480) 2.834 4.945 ( -0.031 0.454 -4.860) 4.882 5.209 ( -1.576 0.158 0.238) 1.602 5.269 ( 4.937 -0.062 -1.543) 5.172 5.688 ( -2.387 -0.123 0.410) 2.425 5.821 ( -3.240 2.597 -3.762) 5.604 ======================= Grid point 308 (93/172) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -0.000 -0.000 -14.912) 14.912 1.512 ( 0.000 0.000 -12.856) 12.856 1.992 ( -0.000 -0.000 -2.357) 2.357 2.004 ( 0.000 0.000 -3.960) 3.960 2.206 ( 0.000 -0.000 0.439) 0.439 2.381 ( 0.000 0.000 -2.633) 2.633 2.398 ( 0.000 -0.000 0.013) 0.013 2.456 ( -0.000 -0.000 -0.726) 0.726 2.811 ( 0.000 -0.000 5.333) 5.333 2.854 ( 0.000 -0.000 -0.469) 0.469 3.101 ( 0.000 -0.000 1.649) 1.649 3.192 ( 0.000 -0.000 2.081) 2.081 3.334 ( 0.000 -0.000 0.167) 0.167 3.355 ( 0.000 -0.000 -1.708) 1.708 3.569 ( 0.000 -0.000 3.418) 3.418 3.590 ( 0.000 0.000 -0.518) 0.518 3.896 ( 0.000 -0.000 5.805) 5.805 4.118 ( 0.000 0.000 -0.302) 0.302 4.120 ( 0.000 -0.000 7.012) 7.012 4.399 ( 0.000 -0.000 2.576) 2.576 4.520 ( 0.000 -0.000 3.730) 3.730 4.557 ( 0.000 -0.000 0.870) 0.870 4.654 ( 0.000 -0.000 1.308) 1.308 4.738 ( 0.000 -0.000 -1.468) 1.468 4.785 ( 0.000 -0.000 -0.578) 0.578 4.944 ( 0.000 -0.000 -5.291) 5.291 5.192 ( 0.000 -0.000 1.849) 1.849 5.327 ( 0.000 -0.000 -2.162) 2.162 5.659 ( 0.000 -0.000 0.143) 0.143 5.777 ( 0.000 -0.000 -3.499) 3.499 ======================= Grid point 316 (94/172) ======================= q-point: ( 0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 11.241 -0.000 1.453) 11.334 1.064 ( 14.895 -0.000 2.643) 15.128 1.736 ( -0.662 0.000 -11.039) 11.059 1.790 ( 8.946 -0.000 -4.719) 10.115 1.981 ( 13.900 -0.000 -2.153) 14.066 2.135 ( 6.830 -0.000 9.677) 11.844 2.171 ( 6.468 -0.000 -8.874) 10.981 2.458 ( 0.591 -0.000 -2.701) 2.765 2.711 ( 0.696 -0.000 4.638) 4.690 2.824 ( 3.255 -0.000 4.435) 5.501 2.888 ( 2.426 -0.000 0.510) 2.479 2.949 ( 3.308 -0.000 2.831) 4.354 3.076 ( -1.961 0.000 -1.704) 2.598 3.236 ( 1.252 -0.000 -2.024) 2.380 3.309 ( 7.844 -0.000 2.050) 8.108 3.797 ( 1.116 -0.000 -5.849) 5.955 3.849 ( -3.178 0.000 1.124) 3.371 3.906 ( -0.302 0.000 -8.381) 8.386 4.180 ( 4.172 -0.000 6.371) 7.616 4.285 ( -2.423 0.000 4.743) 5.326 4.427 ( -0.391 0.000 3.087) 3.111 4.453 ( 1.004 -0.000 0.709) 1.230 4.667 ( 2.636 -0.000 0.300) 2.653 4.801 ( -1.674 0.000 -3.286) 3.688 4.956 ( -1.839 0.000 5.560) 5.856 4.970 ( -7.497 0.000 4.978) 8.999 5.156 ( -4.769 0.000 0.965) 4.866 5.295 ( -0.979 0.000 -3.556) 3.688 5.664 ( 4.727 -0.000 2.029) 5.144 5.899 ( 4.797 -0.000 -6.896) 8.400 ======================= Grid point 317 (95/172) ======================= q-point: ( 0.17 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 14.299 -1.521 -8.626) 16.769 1.317 ( 10.786 1.157 -8.176) 13.584 1.774 ( 5.830 0.170 -4.067) 7.110 1.894 ( 3.574 -0.423 -2.072) 4.153 2.084 ( 2.961 -0.683 -4.041) 5.056 2.221 ( -0.337 0.132 -8.268) 8.276 2.395 ( 9.194 -0.553 3.204) 9.752 2.475 ( 0.515 1.070 -1.403) 1.838 2.782 ( 7.010 -0.522 4.834) 8.531 2.896 ( 5.380 1.549 4.196) 6.996 2.944 ( 3.382 -0.057 -0.373) 3.403 3.036 ( 1.085 0.497 3.111) 3.332 3.071 ( 6.292 -3.787 4.949) 8.855 3.262 ( 1.607 0.173 -1.944) 2.528 3.432 ( 4.643 -0.393 2.826) 5.450 3.771 ( -2.507 1.880 0.643) 3.199 3.785 ( -3.982 -0.737 0.508) 4.081 3.949 ( 3.925 -1.347 -10.579) 11.364 4.203 ( -1.451 0.806 3.410) 3.793 4.236 ( -2.247 0.544 2.727) 3.575 4.429 ( 1.436 0.117 4.650) 4.868 4.507 ( 4.529 0.869 2.067) 5.054 4.696 ( -0.575 -1.130 4.177) 4.366 4.746 ( -3.609 0.218 0.039) 3.615 4.876 ( -2.568 0.138 0.274) 2.586 4.941 ( 0.073 -0.398 0.493) 0.637 5.111 ( 0.249 -0.113 0.597) 0.656 5.280 ( -0.944 -0.375 -3.443) 3.590 5.728 ( 1.964 0.359 1.733) 2.644 5.945 ( 0.536 0.898 -5.797) 5.891 ======================= Grid point 318 (96/172) ======================= q-point: ( 0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 11.181 -1.043 -13.796) 17.788 1.443 ( 3.968 0.587 -14.822) 15.355 1.914 ( 4.152 3.065 0.460) 5.182 1.973 ( 8.303 -2.047 2.191) 8.828 2.147 ( 2.171 2.511 -4.968) 5.975 2.211 ( 1.209 -2.190 -6.035) 6.533 2.427 ( -1.815 2.224 0.049) 2.871 2.480 ( -0.726 -2.804 -1.570) 3.295 2.844 ( 0.039 1.833 2.449) 3.059 2.955 ( -2.048 -1.492 4.701) 5.340 3.025 ( 6.364 0.897 3.251) 7.202 3.061 ( 2.848 -1.012 0.649) 3.091 3.277 ( 4.973 1.500 -0.498) 5.218 3.323 ( 6.466 -2.550 -0.435) 6.964 3.518 ( 7.770 -1.210 7.100) 10.595 3.696 ( -5.496 -0.928 2.937) 6.300 3.720 ( -2.592 -0.773 0.297) 2.721 4.035 ( 3.737 -0.378 -6.148) 7.204 4.158 ( -1.378 0.777 2.483) 2.944 4.211 ( 0.382 -0.017 1.549) 1.596 4.477 ( 3.051 -0.440 3.498) 4.663 4.579 ( 2.302 1.695 3.665) 4.648 4.655 ( -1.892 1.203 4.018) 4.601 4.702 ( -1.389 -1.883 2.354) 3.319 4.858 ( 0.255 0.631 -1.684) 1.816 4.948 ( 0.272 -0.040 -3.242) 3.254 5.162 ( 4.600 -0.148 -0.195) 4.606 5.255 ( -1.910 -0.110 -2.421) 3.086 5.732 ( -1.243 0.493 1.235) 1.820 5.917 ( -2.575 1.656 -4.872) 5.754 ======================= Grid point 319 (97/172) ======================= q-point: ( 0.33 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 4.651 0.669 -14.565) 15.304 1.500 ( 2.447 -0.891 -15.187) 15.409 1.950 ( 2.767 1.775 -0.090) 3.289 2.061 ( -1.650 0.466 -4.482) 4.799 2.190 ( 4.005 2.330 0.281) 4.642 2.297 ( 5.592 -1.831 -2.387) 6.350 2.393 ( 0.062 0.831 -0.674) 1.072 2.462 ( -2.524 -3.210 -1.317) 4.290 2.817 ( -0.635 2.530 4.042) 4.811 2.904 ( -3.843 -2.140 3.029) 5.341 3.100 ( 1.888 1.403 0.989) 2.552 3.141 ( 4.976 -0.049 2.656) 5.641 3.323 ( 1.454 1.195 -1.555) 2.441 3.356 ( -0.318 -1.078 -1.769) 2.096 3.581 ( -5.090 -1.102 3.973) 6.551 3.649 ( -2.763 -0.511 0.291) 2.825 3.780 ( 9.750 -2.336 6.573) 11.989 4.061 ( -0.416 -1.694 0.265) 1.765 4.172 ( 1.941 2.439 1.881) 3.640 4.279 ( 6.462 -1.995 1.734) 6.982 4.527 ( 1.561 -0.766 1.943) 2.608 4.557 ( -1.993 1.496 4.803) 5.411 4.645 ( 0.509 0.562 3.289) 3.376 4.717 ( 1.579 -0.246 -0.545) 1.688 4.847 ( -1.883 0.819 -1.062) 2.312 4.949 ( -0.075 0.321 -4.804) 4.816 5.211 ( -1.728 0.314 -0.052) 1.757 5.267 ( 5.176 -0.206 -1.700) 5.452 5.688 ( -2.755 0.051 0.748) 2.855 5.843 ( -3.908 1.780 -4.145) 5.969 ======================= Grid point 320 (98/172) ======================= q-point: ( 0.42 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 0.640 -0.348 -14.034) 14.053 1.520 ( -0.322 0.845 -13.745) 13.774 1.994 ( -2.274 0.498 -2.725) 3.583 2.008 ( 1.297 0.642 -3.948) 4.205 2.206 ( -0.673 -0.005 0.489) 0.832 2.338 ( -4.154 -5.744 -0.478) 7.105 2.411 ( 0.118 0.953 -1.264) 1.588 2.475 ( 4.925 2.802 -1.091) 5.770 2.813 ( -0.384 0.318 5.023) 5.048 2.854 ( 0.065 -0.078 -0.434) 0.446 3.109 ( 0.156 1.438 1.477) 2.067 3.192 ( -0.479 0.027 2.038) 2.094 3.330 ( 0.005 -0.775 0.173) 0.794 3.355 ( -1.095 -0.098 -1.654) 1.986 3.557 ( 2.620 -1.732 3.312) 4.564 3.599 ( -0.927 1.203 0.274) 1.543 3.899 ( 1.971 0.445 5.493) 5.853 4.076 ( 0.590 -3.843 2.640) 4.699 4.167 ( -0.670 4.778 3.876) 6.189 4.392 ( 1.622 -1.305 2.354) 3.142 4.519 ( -1.107 -0.102 3.903) 4.058 4.556 ( 0.931 -0.148 0.935) 1.328 4.655 ( -0.224 0.085 1.343) 1.364 4.737 ( 0.063 -0.128 -1.450) 1.457 4.786 ( -1.789 0.257 -0.531) 1.884 4.944 ( -0.295 0.031 -5.311) 5.319 5.192 ( -0.008 0.090 1.805) 1.807 5.326 ( -0.108 -0.041 -2.145) 2.148 5.660 ( 0.554 0.048 0.121) 0.569 5.777 ( -1.866 -0.022 -3.491) 3.958 ======================= Grid point 321 (99/172) ======================= q-point: (-0.50 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -4.121 0.847 -13.464) 14.106 1.510 ( -1.866 0.126 -13.213) 13.345 1.913 ( -4.567 -1.476 -0.163) 4.802 2.052 ( 1.907 -0.266 -5.079) 5.432 2.161 ( -5.933 -1.115 1.420) 6.201 2.262 ( -3.861 -3.814 -1.515) 5.635 2.415 ( 0.608 2.186 -1.487) 2.713 2.527 ( 1.670 2.243 -1.506) 3.177 2.795 ( 0.359 0.774 2.303) 2.456 2.915 ( 3.844 -1.068 0.130) 3.992 3.097 ( -1.253 0.952 2.526) 2.976 3.136 ( -4.524 -0.369 1.639) 4.826 3.297 ( -1.784 -1.142 -1.544) 2.621 3.361 ( -0.231 -0.627 -0.981) 1.187 3.608 ( 3.540 1.537 3.789) 5.408 3.664 ( 5.402 0.734 1.094) 5.560 3.852 ( -5.563 4.437 5.894) 9.240 4.089 ( -2.031 -1.713 1.423) 3.014 4.129 ( -0.203 0.857 3.673) 3.777 4.320 ( -7.484 1.789 1.583) 7.856 4.519 ( 0.649 -1.237 4.661) 4.866 4.552 ( -1.188 0.729 2.327) 2.712 4.624 ( -1.167 -1.232 2.527) 3.044 4.720 ( -1.231 -0.076 -1.412) 1.875 4.824 ( 2.442 -1.212 -1.884) 3.314 4.940 ( -0.112 -0.479 -4.937) 4.961 5.208 ( 1.591 0.066 0.514) 1.673 5.268 ( -4.870 -0.122 -1.301) 5.042 5.691 ( 1.941 0.536 -0.078) 2.016 5.793 ( 2.480 -2.976 -3.249) 5.056 ======================= Grid point 322 (100/172) ======================= q-point: (-0.42 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -8.150 2.149 -12.613) 15.170 1.429 ( -6.614 -0.319 -10.827) 12.691 1.854 ( -3.223 -2.714 0.045) 4.213 1.988 ( -8.806 -0.652 2.637) 9.216 2.104 ( 1.008 -1.458 -5.087) 5.387 2.238 ( -0.744 0.093 -4.320) 4.385 2.409 ( -0.124 0.829 -0.617) 1.041 2.524 ( -1.208 1.108 -3.401) 3.775 2.818 ( 1.553 -0.075 2.196) 2.691 2.963 ( -0.395 -1.661 -0.571) 1.800 3.002 ( -6.916 0.081 3.120) 7.588 3.101 ( 0.309 2.083 2.217) 3.058 3.262 ( -3.270 -0.077 -0.907) 3.394 3.354 ( -1.437 0.052 -1.515) 2.088 3.570 ( -9.386 3.985 7.422) 12.612 3.721 ( 3.180 1.326 3.302) 4.773 3.764 ( 0.443 3.652 1.553) 3.993 4.038 ( -3.235 -0.699 -2.628) 4.226 4.135 ( 0.747 -1.171 1.920) 2.369 4.204 ( -2.968 -0.927 1.559) 3.478 4.488 ( -3.265 0.522 3.451) 4.779 4.540 ( -2.010 -1.418 4.268) 4.926 4.644 ( 2.898 0.144 2.729) 3.983 4.725 ( 2.468 0.059 1.908) 3.120 4.842 ( -0.610 -0.752 -2.360) 2.551 4.947 ( 0.423 -0.319 -3.230) 3.273 5.167 ( -4.201 0.368 0.038) 4.218 5.258 ( 2.466 0.123 -2.545) 3.546 5.716 ( 0.478 -0.925 0.760) 1.289 5.862 ( 2.378 -3.356 -3.800) 5.600 ======================= Grid point 323 (101/172) ======================= q-point: (-0.33 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -11.556 5.618 -8.459) 15.383 1.269 ( -10.977 -2.356 -5.705) 12.594 1.766 ( -6.177 -0.503 -1.631) 6.409 1.899 ( -1.316 -0.782 -0.192) 1.543 2.106 ( -1.213 0.423 -5.195) 5.351 2.226 ( -0.632 1.261 -6.032) 6.195 2.399 ( -2.716 -1.681 -0.877) 3.312 2.449 ( -6.656 0.480 -3.170) 7.388 2.806 ( -6.044 1.464 3.902) 7.341 2.855 ( -4.117 -1.307 4.829) 6.479 2.947 ( -1.783 0.630 -0.366) 1.926 3.061 ( -5.707 1.969 2.090) 6.389 3.178 ( -1.780 5.351 4.165) 7.010 3.267 ( -4.162 1.570 -1.382) 4.658 3.445 ( -3.877 0.263 2.149) 4.441 3.708 ( -2.840 -3.437 0.198) 4.463 3.802 ( 3.269 0.560 1.241) 3.541 3.991 ( -1.819 1.589 -4.898) 5.461 4.169 ( 1.666 -2.018 0.595) 2.684 4.203 ( 0.835 -2.410 1.473) 2.945 4.422 ( -3.784 -0.295 3.024) 4.853 4.485 ( -2.596 -0.573 3.375) 4.296 4.723 ( 4.538 0.099 1.740) 4.861 4.754 ( -0.616 1.999 1.342) 2.485 4.863 ( 3.563 -1.283 1.328) 4.013 4.961 ( 1.764 1.325 0.624) 2.293 5.118 ( -0.323 0.615 0.857) 1.103 5.299 ( 2.257 1.371 -4.071) 4.853 5.709 ( -1.979 -1.367 1.509) 2.839 5.898 ( -0.530 -3.280 -4.781) 5.822 ======================= Grid point 324 (102/172) ======================= q-point: (-0.25 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -11.373 6.675 -1.034) 13.228 1.055 ( -11.194 0.796 3.165) 11.660 1.688 ( -3.270 -3.663 -6.099) 7.830 1.867 ( -2.535 5.259 -5.382) 7.941 2.041 ( -11.512 5.244 -4.245) 13.343 2.131 ( -6.156 -1.328 2.031) 6.617 2.205 ( -8.179 4.344 -1.427) 9.370 2.406 ( -0.717 -4.355 -2.386) 5.018 2.712 ( -2.111 0.249 3.741) 4.303 2.792 ( -4.197 -1.313 4.660) 6.407 2.912 ( -1.895 1.031 -1.075) 2.410 2.950 ( -2.631 1.076 2.672) 3.901 3.153 ( 0.952 5.791 -0.783) 5.921 3.214 ( -2.096 -1.108 -0.508) 2.425 3.343 ( -5.939 2.415 1.570) 6.601 3.694 ( -1.914 -7.414 -3.079) 8.253 3.855 ( 2.081 -1.362 -1.864) 3.108 3.958 ( -0.087 2.861 -4.426) 5.271 4.176 ( -3.379 -0.333 4.298) 5.477 4.233 ( 1.359 -3.270 1.843) 3.992 4.376 ( -0.840 -2.947 -0.610) 3.125 4.466 ( -0.487 -0.022 2.572) 2.618 4.698 ( -3.093 1.422 -0.498) 3.441 4.797 ( 2.535 0.065 -1.092) 2.761 4.939 ( 3.295 -0.065 5.527) 6.435 5.031 ( 7.402 3.664 5.536) 9.943 5.153 ( 4.068 0.263 1.279) 4.272 5.332 ( 2.447 3.192 -4.227) 5.835 5.654 ( -4.361 -0.870 1.855) 4.819 5.868 ( -4.549 -2.804 -5.932) 7.984 ======================= Grid point 325 (103/172) ======================= q-point: (-0.17 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -6.278 -0.998 9.269) 11.240 0.895 ( -1.016 9.528 13.097) 16.228 1.496 ( -22.116 8.003 5.989) 24.270 1.733 ( -0.628 -1.509 -7.082) 7.268 1.865 ( -1.227 5.105 -5.367) 7.508 2.008 ( -8.798 -0.242 -7.958) 11.866 2.151 ( 1.878 3.190 -0.135) 3.705 2.443 ( 2.116 -3.692 -2.989) 5.200 2.630 ( -6.440 -3.473 2.262) 7.658 2.782 ( 1.218 -1.897 5.289) 5.750 2.862 ( -2.604 0.315 -1.659) 3.104 2.955 ( 3.337 2.008 3.584) 5.293 3.141 ( -2.657 2.349 -1.177) 3.736 3.169 ( -0.758 2.281 -0.486) 2.452 3.242 ( -2.209 2.901 -1.098) 3.808 3.700 ( -1.423 -7.513 -8.235) 11.238 3.893 ( 1.192 -1.733 -2.737) 3.452 3.961 ( 1.489 3.002 -2.551) 4.211 4.081 ( -5.177 -0.047 6.842) 8.580 4.276 ( 1.137 -3.662 2.359) 4.502 4.382 ( -2.223 -1.750 -1.650) 3.275 4.448 ( -0.777 -2.222 -0.557) 2.419 4.650 ( -0.647 2.040 1.915) 2.872 4.826 ( 0.953 0.416 -2.605) 2.805 4.989 ( 1.990 0.250 7.439) 7.704 5.193 ( 10.958 2.689 5.477) 12.542 5.252 ( 6.273 -0.277 2.032) 6.600 5.362 ( 2.959 4.510 -3.118) 6.231 5.561 ( -5.459 0.052 1.485) 5.657 5.742 ( -10.361 -1.270 -5.862) 11.972 ======================= Grid point 326 (104/172) ======================= q-point: (-0.08 0.08 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -0.000 -7.620 14.613) 16.480 0.954 ( 0.000 5.933 21.594) 22.394 1.089 ( 0.000 16.440 10.617) 19.570 1.761 ( -0.000 -4.941 -9.642) 10.834 1.844 ( 0.000 4.827 -6.808) 8.346 1.901 ( -0.000 -0.066 -10.282) 10.282 2.157 ( 0.000 3.137 -1.546) 3.497 2.487 ( 0.000 0.113 -5.206) 5.207 2.580 ( -0.000 -7.658 4.423) 8.844 2.808 ( -0.000 -1.463 6.025) 6.200 2.827 ( 0.000 1.742 -1.041) 2.029 3.024 ( 0.000 0.649 5.419) 5.458 3.050 ( 0.000 0.913 -0.410) 1.001 3.170 ( 0.000 3.623 -5.624) 6.690 3.210 ( 0.000 1.510 -0.451) 1.576 3.718 ( -0.000 -5.501 -12.651) 13.795 3.914 ( -0.000 -1.111 -1.053) 1.531 3.965 ( 0.000 2.970 -2.617) 3.958 4.024 ( -0.000 -0.157 7.613) 7.615 4.307 ( -0.000 -4.259 4.400) 6.123 4.339 ( -0.000 -0.456 -3.007) 3.041 4.459 ( -0.000 -1.260 0.963) 1.586 4.641 ( 0.000 1.352 2.059) 2.463 4.832 ( 0.000 0.758 -3.065) 3.157 5.008 ( -0.000 -0.073 7.265) 7.266 5.294 ( -0.000 -2.106 0.091) 2.108 5.379 ( 0.000 3.401 0.982) 3.540 5.475 ( 0.000 0.046 0.014) 0.048 5.482 ( 0.000 0.613 -0.190) 0.641 5.496 ( 0.000 2.902 -0.438) 2.935 ======================= Grid point 329 (105/172) ======================= q-point: ( 0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 11.684 -0.000 -14.020) 18.250 1.446 ( 3.442 -0.000 -15.457) 15.835 1.937 ( 1.350 -0.000 1.031) 1.699 1.954 ( 11.207 -0.000 1.434) 11.299 2.164 ( 5.202 -0.000 -2.836) 5.925 2.195 ( -1.235 0.000 -8.196) 8.289 2.451 ( -2.877 0.000 -0.868) 3.005 2.453 ( -0.308 0.000 -0.141) 0.339 2.855 ( 1.108 -0.000 1.928) 2.224 2.945 ( -3.690 0.000 5.962) 7.011 3.028 ( 6.214 -0.000 4.424) 7.628 3.057 ( 3.915 -0.000 -0.749) 3.986 3.292 ( 1.706 -0.000 -1.733) 2.432 3.302 ( 10.878 -0.000 1.067) 10.930 3.512 ( 7.384 -0.000 6.969) 10.153 3.691 ( -5.765 0.000 2.804) 6.411 3.717 ( -3.004 0.000 0.217) 3.012 4.033 ( 3.870 -0.000 -6.593) 7.644 4.162 ( -1.535 0.000 2.627) 3.042 4.211 ( 0.101 -0.000 1.522) 1.525 4.475 ( 2.973 -0.000 3.518) 4.607 4.588 ( 2.162 -0.000 3.103) 3.783 4.665 ( -1.817 0.000 5.877) 6.152 4.689 ( -1.001 0.000 1.070) 1.465 4.862 ( 0.170 -0.000 -1.523) 1.533 4.948 ( 0.401 -0.000 -3.281) 3.306 5.161 ( 4.685 -0.000 -0.233) 4.691 5.254 ( -1.841 0.000 -2.380) 3.009 5.734 ( -1.340 0.000 1.301) 1.868 5.926 ( -2.626 0.000 -5.030) 5.674 ======================= Grid point 330 (106/172) ======================= q-point: ( 0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 5.456 0.876 -15.203) 16.176 1.490 ( 1.984 -0.921 -15.343) 15.498 1.964 ( 2.166 0.738 0.105) 2.291 2.064 ( -0.754 0.126 -4.673) 4.735 2.221 ( 3.235 3.669 -0.686) 4.940 2.265 ( 3.656 -4.029 -1.442) 5.629 2.407 ( 1.006 1.413 -0.953) 1.979 2.436 ( -1.590 -1.856 -0.795) 2.570 2.845 ( -1.184 2.985 3.367) 4.653 2.878 ( -3.199 -2.884 4.522) 6.245 3.116 ( 2.211 1.285 -0.227) 2.568 3.138 ( 5.125 -0.523 3.704) 6.345 3.333 ( 1.904 0.814 -1.689) 2.672 3.345 ( -1.220 -0.998 -1.795) 2.389 3.573 ( -5.972 -0.428 4.329) 7.389 3.646 ( -1.901 -0.144 0.289) 1.928 3.765 ( 10.922 -0.767 6.238) 12.601 4.049 ( -1.035 -0.618 -0.140) 1.214 4.190 ( 3.133 1.119 1.613) 3.697 4.263 ( 5.504 -1.002 1.751) 5.862 4.521 ( 1.737 -0.331 1.946) 2.629 4.569 ( -2.527 0.710 4.491) 5.202 4.648 ( 0.161 0.084 3.784) 3.788 4.715 ( 1.957 -0.092 -0.410) 2.002 4.852 ( -1.791 0.283 -0.807) 1.985 4.951 ( -0.069 0.116 -4.777) 4.779 5.214 ( -1.959 0.174 -0.245) 1.982 5.265 ( 5.467 -0.125 -1.765) 5.746 5.688 ( -2.961 0.040 0.921) 3.101 5.855 ( -4.296 0.634 -4.351) 6.147 ======================= Grid point 331 (107/172) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.385 0.061 -14.296) 14.301 1.527 ( 0.197 0.410 -13.475) 13.482 2.002 ( -3.086 1.020 -3.634) 4.875 2.014 ( 1.382 0.347 -3.963) 4.211 2.209 ( -1.631 0.717 0.574) 1.872 2.282 ( -4.013 -5.086 1.014) 6.557 2.418 ( 0.631 0.425 -1.225) 1.442 2.499 ( 5.282 1.773 -1.416) 5.749 2.816 ( -0.490 0.315 4.438) 4.476 2.853 ( 0.051 -0.150 -0.341) 0.376 3.127 ( 0.169 1.799 0.990) 2.061 3.192 ( -0.997 -0.050 1.904) 2.150 3.320 ( 0.713 -1.025 0.417) 1.317 3.354 ( -2.390 -0.127 -1.586) 2.872 3.541 ( 3.798 -1.146 4.142) 5.735 3.609 ( -0.780 0.662 0.754) 1.271 3.904 ( 3.529 0.528 4.896) 6.058 4.045 ( 0.018 -2.282 2.113) 3.110 4.210 ( -0.389 3.546 4.057) 5.402 4.375 ( 2.982 -1.740 1.906) 3.943 4.518 ( -2.025 -0.025 4.260) 4.717 4.554 ( 1.394 -0.186 1.012) 1.733 4.656 ( -0.253 0.068 1.411) 1.435 4.736 ( 0.041 -0.106 -1.417) 1.422 4.789 ( -2.937 0.238 -0.431) 2.978 4.945 ( -0.514 0.032 -5.350) 5.375 5.193 ( -0.030 0.092 1.716) 1.718 5.326 ( -0.180 -0.042 -2.109) 2.117 5.660 ( 0.980 0.048 0.078) 0.985 5.777 ( -3.251 -0.023 -3.474) 4.758 ======================= Grid point 332 (108/172) ======================= q-point: (-0.58 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -3.700 1.050 -13.327) 13.871 1.510 ( -1.912 -0.079 -11.924) 12.077 1.903 ( -5.488 -0.619 -0.057) 5.524 2.050 ( 1.027 -0.269 -5.941) 6.035 2.152 ( -6.165 -0.592 2.545) 6.696 2.224 ( -1.808 -3.557 -1.725) 4.347 2.436 ( 1.232 2.065 -1.772) 2.987 2.540 ( 0.200 0.517 -0.379) 0.672 2.812 ( 0.912 2.481 0.490) 2.689 2.898 ( 3.091 -2.226 -0.777) 3.887 3.107 ( -2.647 0.958 2.163) 3.550 3.133 ( -2.976 -0.052 1.704) 3.429 3.288 ( -2.194 -0.640 -1.556) 2.765 3.353 ( -0.039 -0.959 -0.433) 1.053 3.623 ( 3.461 1.430 3.635) 5.219 3.669 ( 6.648 0.303 2.162) 6.997 3.896 ( -3.305 4.266 4.966) 7.333 4.057 ( -1.344 -3.861 2.355) 4.719 4.150 ( -2.776 2.447 4.520) 5.841 4.335 ( -7.219 1.200 1.274) 7.428 4.509 ( 0.584 -0.652 4.501) 4.585 4.557 ( -0.994 0.184 2.546) 2.739 4.613 ( -1.452 -0.975 2.154) 2.775 4.718 ( -1.466 -0.169 -1.909) 2.412 4.814 ( 2.777 -0.854 -2.135) 3.605 4.936 ( -0.321 -0.371 -5.011) 5.035 5.210 ( 1.706 0.158 0.714) 1.856 5.267 ( -4.930 -0.186 -1.045) 5.043 5.699 ( 1.527 1.156 -0.678) 2.031 5.763 ( 1.844 -2.915 -2.651) 4.351 ======================= Grid point 333 (109/172) ======================= q-point: (-0.50 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -7.528 1.296 -11.927) 14.164 1.431 ( -6.498 0.864 -8.813) 10.984 1.829 ( -2.875 -2.190 0.445) 3.641 1.977 ( -8.776 -1.329 1.497) 9.001 2.093 ( 0.644 -0.779 -3.257) 3.411 2.233 ( 0.704 -0.912 -4.533) 4.677 2.425 ( -1.087 2.441 -1.402) 3.018 2.526 ( -1.718 -0.563 -3.027) 3.526 2.825 ( 1.191 1.513 1.100) 2.218 2.940 ( -1.190 -2.711 -0.828) 3.074 3.009 ( -5.246 0.909 1.689) 5.586 3.117 ( 0.174 1.096 2.027) 2.311 3.264 ( -1.611 0.458 -1.594) 2.312 3.347 ( -0.400 -1.183 -1.519) 1.966 3.613 ( -8.143 4.558 6.927) 11.622 3.732 ( 1.075 0.805 3.652) 3.891 3.806 ( -0.837 4.717 2.381) 5.350 4.022 ( -2.667 -2.700 0.228) 3.802 4.127 ( 0.206 -0.424 1.427) 1.503 4.192 ( -4.986 -1.508 1.762) 5.499 4.494 ( -2.786 0.722 3.330) 4.402 4.530 ( -1.896 -0.593 3.767) 4.259 4.649 ( 3.772 0.759 2.665) 4.680 4.720 ( 2.660 -0.957 0.970) 2.989 4.836 ( -0.654 -0.378 -2.444) 2.558 4.942 ( 0.721 -0.553 -3.363) 3.484 5.171 ( -4.037 0.328 0.182) 4.054 5.259 ( 2.837 0.083 -2.502) 3.784 5.708 ( -0.145 -0.759 0.434) 0.887 5.830 ( 2.445 -2.930 -3.127) 4.933 ======================= Grid point 334 (110/172) ======================= q-point: (-0.42 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -11.060 1.912 -9.656) 14.806 1.267 ( -9.255 2.889 -3.233) 10.221 1.762 ( -6.390 -0.344 0.167) 6.401 1.882 ( -0.536 -2.618 1.553) 3.091 2.101 ( -0.946 -1.262 -4.905) 5.152 2.244 ( 0.142 2.002 -5.840) 6.175 2.383 ( -3.056 -0.932 -2.159) 3.856 2.457 ( -6.450 0.573 -5.217) 8.316 2.818 ( -3.610 0.860 3.568) 5.148 2.851 ( -4.930 0.348 3.783) 6.223 2.956 ( -0.995 1.178 -0.517) 1.627 3.078 ( -5.272 1.374 2.087) 5.834 3.222 ( -0.620 3.550 1.469) 3.891 3.297 ( -5.457 4.391 0.250) 7.009 3.442 ( -4.226 -0.713 1.967) 4.716 3.675 ( -6.111 -3.429 1.583) 7.184 3.803 ( 1.022 -0.339 2.148) 2.403 4.001 ( -0.989 0.489 -1.637) 1.974 4.149 ( 1.655 -2.014 -0.350) 2.630 4.181 ( 1.145 -1.877 -0.174) 2.206 4.423 ( -4.610 0.443 1.730) 4.944 4.481 ( -1.944 -0.188 3.439) 3.955 4.724 ( 3.024 0.241 0.666) 3.106 4.776 ( 0.619 2.081 1.765) 2.799 4.847 ( 3.803 -2.040 2.003) 4.758 4.973 ( 3.114 1.069 0.605) 3.348 5.125 ( -0.114 0.821 1.109) 1.385 5.313 ( 3.211 1.333 -4.430) 5.631 5.695 ( -1.954 -1.403 1.342) 2.755 5.865 ( -0.534 -3.211 -4.033) 5.183 ======================= Grid point 335 (111/172) ======================= q-point: (-0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -13.081 3.385 -4.421) 14.217 1.090 ( -6.061 6.610 3.691) 9.698 1.652 ( -5.575 -3.256 -1.861) 6.719 1.909 ( 1.450 2.635 -2.755) 4.078 2.069 ( -4.103 -1.508 -4.575) 6.328 2.137 ( -11.666 4.448 -2.235) 12.684 2.260 ( -7.613 6.213 -1.293) 9.911 2.364 ( -0.906 -3.816 -3.149) 5.030 2.718 ( -3.373 1.189 3.779) 5.203 2.785 ( -4.367 -0.104 5.537) 7.053 2.918 ( -4.054 0.165 -2.166) 4.599 2.968 ( -1.327 2.190 2.591) 3.643 3.208 ( -0.071 2.735 1.344) 3.049 3.210 ( -1.240 2.675 -1.226) 3.194 3.365 ( -4.738 1.972 1.278) 5.288 3.616 ( -3.391 -8.150 -1.197) 8.908 3.826 ( 0.277 -4.507 -1.423) 4.735 3.982 ( 0.009 1.928 -2.904) 3.485 4.168 ( -2.880 -1.331 3.582) 4.785 4.211 ( 1.984 -1.066 -1.317) 2.609 4.352 ( -1.738 -1.560 -2.574) 3.475 4.464 ( -1.021 -0.311 2.126) 2.379 4.704 ( -2.976 -0.079 -0.186) 2.982 4.798 ( 1.777 0.040 -0.781) 1.942 4.943 ( 4.693 0.869 6.686) 8.215 5.063 ( 7.339 2.547 5.294) 9.401 5.162 ( 4.374 1.496 1.610) 4.896 5.366 ( 3.616 3.550 -4.761) 6.953 5.645 ( -3.912 -0.898 1.633) 4.334 5.837 ( -4.315 -3.247 -5.029) 7.379 ======================= Grid point 336 (112/172) ======================= q-point: (-0.25 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -9.692 1.889 4.358) 10.793 1.004 ( 2.549 11.928 11.527) 16.782 1.532 ( -12.845 -1.858 -1.929) 13.121 1.778 ( -7.686 11.212 0.743) 13.614 1.921 ( -1.138 5.281 -5.208) 7.504 2.002 ( -6.915 -0.807 -4.176) 8.118 2.185 ( 1.744 3.739 -0.844) 4.211 2.398 ( 1.920 -4.910 -1.789) 5.567 2.604 ( -8.049 -1.826 1.194) 8.339 2.762 ( 0.971 -1.901 4.721) 5.181 2.851 ( -3.203 -2.176 -3.709) 5.362 2.983 ( 3.358 3.099 3.780) 5.931 3.161 ( -3.558 1.973 1.912) 4.495 3.208 ( 1.687 4.955 -2.604) 5.846 3.273 ( -2.526 3.308 -0.223) 4.168 3.611 ( -1.964 -10.014 -3.631) 10.832 3.858 ( 0.485 -5.236 -4.041) 6.632 3.986 ( 1.243 1.861 -2.358) 3.251 4.079 ( -5.109 -0.209 6.122) 7.977 4.255 ( 1.736 -0.739 -1.722) 2.555 4.360 ( -0.461 -2.675 -3.005) 4.050 4.421 ( -3.218 -2.460 -2.370) 4.694 4.666 ( -0.543 0.988 3.252) 3.442 4.826 ( 1.033 -0.464 -1.690) 2.035 5.002 ( 2.433 2.311 8.098) 8.766 5.204 ( 6.729 -0.382 5.422) 8.651 5.270 ( 9.080 3.378 2.377) 9.975 5.411 ( 3.433 5.140 -3.856) 7.285 5.562 ( -4.767 0.323 1.180) 4.921 5.726 ( -9.041 -1.743 -5.056) 10.504 ======================= Grid point 337 (113/172) ======================= q-point: (-0.17 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -0.000 -2.770 11.463) 11.793 1.037 ( 0.000 10.534 19.148) 21.855 1.259 ( 0.000 15.161 4.530) 15.823 1.720 ( -0.000 -1.613 -5.240) 5.482 1.897 ( -0.000 -0.920 -8.983) 9.030 1.907 ( 0.000 7.820 -4.414) 8.980 2.194 ( 0.000 3.909 -2.168) 4.470 2.487 ( -0.000 -0.315 -4.101) 4.113 2.493 ( -0.000 -9.083 4.486) 10.131 2.790 ( -0.000 -2.033 5.519) 5.881 2.826 ( -0.000 -2.007 -4.540) 4.964 3.033 ( 0.000 1.193 5.734) 5.857 3.078 ( 0.000 4.546 0.897) 4.634 3.211 ( 0.000 4.299 -4.110) 5.947 3.233 ( 0.000 3.042 -0.827) 3.152 3.643 ( -0.000 -9.530 -7.074) 11.869 3.889 ( -0.000 -4.225 -3.791) 5.676 3.994 ( 0.000 2.564 -2.991) 3.940 4.022 ( -0.000 -0.261 7.450) 7.455 4.278 ( -0.000 -1.065 -0.390) 1.134 4.332 ( -0.000 -0.808 -2.987) 3.094 4.426 ( -0.000 -5.044 -1.650) 5.307 4.658 ( 0.000 1.727 3.739) 4.118 4.838 ( 0.000 0.181 -1.953) 1.962 5.015 ( 0.000 1.647 8.104) 8.270 5.274 ( -0.000 -1.899 3.418) 3.911 5.417 ( 0.000 4.007 -0.834) 4.092 5.477 ( 0.000 0.303 0.112) 0.323 5.490 ( 0.000 0.834 -0.254) 0.872 5.533 ( 0.000 4.226 -2.282) 4.803 ======================= Grid point 342 (114/172) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 0.199 -0.000 -14.503) 14.504 1.529 ( 0.491 -0.000 -13.249) 13.258 2.010 ( -4.653 0.000 -4.797) 6.683 2.014 ( 2.687 -0.000 -3.408) 4.340 2.217 ( -2.660 0.000 0.197) 2.668 2.251 ( -3.164 0.000 2.177) 3.840 2.420 ( 0.914 -0.000 -1.162) 1.478 2.508 ( 5.154 -0.000 -1.500) 5.368 2.818 ( -0.464 0.000 4.160) 4.186 2.852 ( 0.018 -0.000 -0.281) 0.282 3.137 ( 0.163 -0.000 0.650) 0.670 3.192 ( -1.332 0.000 1.798) 2.238 3.314 ( 1.206 -0.000 0.695) 1.392 3.353 ( -2.953 0.000 -1.564) 3.341 3.536 ( 4.248 -0.000 4.572) 6.241 3.612 ( -0.726 0.000 0.940) 1.188 3.907 ( 4.183 -0.000 4.612) 6.226 4.033 ( -0.335 0.000 1.884) 1.913 4.229 ( -0.342 0.000 4.170) 4.184 4.365 ( 3.602 -0.000 1.641) 3.958 4.518 ( -2.401 0.000 4.446) 5.053 4.553 ( 1.502 -0.000 1.024) 1.818 4.656 ( -0.215 0.000 1.444) 1.459 4.735 ( 0.014 -0.000 -1.402) 1.402 4.790 ( -3.308 0.000 -0.379) 3.329 4.945 ( -0.596 0.000 -5.369) 5.402 5.194 ( -0.045 0.000 1.671) 1.671 5.326 ( -0.203 0.000 -2.091) 2.101 5.660 ( 1.144 -0.000 0.056) 1.146 5.777 ( -3.765 0.000 -3.466) 5.118 ======================= Grid point 343 (115/172) ======================= q-point: (-0.67 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -3.205 0.544 -13.610) 13.992 1.508 ( -2.234 -0.136 -10.820) 11.049 1.900 ( -6.190 -0.077 0.025) 6.191 2.047 ( 0.163 -0.218 -6.529) 6.534 2.150 ( -6.233 0.128 4.238) 7.538 2.197 ( -0.144 -1.705 -2.923) 3.387 2.452 ( 1.998 0.928 -2.035) 2.999 2.541 ( -1.021 -0.116 0.582) 1.181 2.841 ( 1.764 3.105 -0.725) 3.644 2.872 ( 2.174 -2.906 -1.138) 3.804 3.114 ( -4.983 0.274 1.305) 5.159 3.134 ( -0.756 0.143 2.170) 2.303 3.284 ( -2.608 -0.170 -1.583) 3.055 3.345 ( 0.325 -0.473 0.008) 0.574 3.635 ( 3.162 0.665 3.172) 4.528 3.671 ( 7.802 -0.006 3.218) 8.440 3.933 ( -1.105 2.563 4.371) 5.186 4.022 ( -2.270 -2.536 2.755) 4.379 4.168 ( -4.304 1.063 5.326) 6.929 4.343 ( -6.881 0.423 0.953) 6.960 4.506 ( 1.013 -0.125 4.219) 4.341 4.557 ( -0.958 -0.116 3.021) 3.171 4.606 ( -1.712 -0.364 1.658) 2.411 4.717 ( -1.680 -0.068 -2.133) 2.716 4.808 ( 2.968 -0.298 -2.238) 3.729 4.933 ( -0.481 -0.141 -5.058) 5.083 5.211 ( 1.814 0.078 0.816) 1.990 5.265 ( -5.011 -0.087 -0.879) 5.089 5.714 ( 1.208 1.862 -1.343) 2.594 5.736 ( 1.555 -2.499 -1.998) 3.558 ======================= Grid point 344 (116/172) ======================= q-point: (-0.58 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -8.434 0.317 -10.912) 13.795 1.443 ( -4.664 1.245 -8.021) 9.362 1.811 ( -3.078 -1.344 1.048) 3.518 1.965 ( -8.452 -0.953 0.400) 8.515 2.088 ( -0.317 -0.334 -1.553) 1.620 2.224 ( 1.878 -0.833 -5.215) 5.605 2.454 ( -1.312 3.065 -2.237) 4.015 2.513 ( -2.054 -1.997 -1.984) 3.484 2.846 ( 0.301 2.357 0.393) 2.409 2.912 ( -0.808 -2.713 -1.267) 3.101 3.017 ( -4.207 0.712 0.611) 4.310 3.124 ( -0.310 0.293 1.886) 1.934 3.270 ( 0.264 0.642 -2.439) 2.536 3.334 ( -0.910 -1.276 -1.097) 1.913 3.655 ( -4.628 3.534 5.626) 8.097 3.735 ( -2.499 -0.102 4.565) 5.205 3.855 ( -2.368 4.908 2.882) 6.164 3.986 ( -1.207 -4.167 2.637) 5.077 4.127 ( -0.210 0.346 1.049) 1.125 4.176 ( -6.926 -1.442 2.136) 7.390 4.503 ( -2.335 1.121 3.199) 4.116 4.525 ( -1.912 -0.640 3.280) 3.850 4.658 ( 5.157 1.013 2.846) 5.976 4.709 ( 2.171 -1.203 -0.169) 2.488 4.834 ( -0.623 -0.124 -2.399) 2.482 4.937 ( 0.870 -0.477 -3.510) 3.647 5.174 ( -3.912 0.186 0.304) 3.928 5.259 ( 3.107 0.046 -2.417) 3.936 5.702 ( -0.761 -0.415 0.155) 0.880 5.807 ( 2.652 -1.704 -2.597) 4.085 ======================= Grid point 345 (117/172) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -11.700 -1.103 -8.647) 14.591 1.318 ( -6.394 6.002 -3.724) 9.527 1.761 ( -5.742 0.237 1.809) 6.025 1.848 ( -1.637 -4.025 3.473) 5.563 2.086 ( -0.953 -1.462 -4.399) 4.733 2.260 ( 1.596 1.120 -6.305) 6.599 2.386 ( -4.451 1.586 -3.522) 5.893 2.455 ( -5.398 -0.985 -5.668) 7.889 2.824 ( -2.308 0.579 4.093) 4.735 2.858 ( -4.157 0.725 1.061) 4.351 2.969 ( -0.863 1.216 -0.497) 1.572 3.088 ( -4.540 0.635 2.383) 5.166 3.255 ( -0.127 3.392 -1.113) 3.572 3.337 ( -1.782 2.260 -1.331) 3.171 3.442 ( -8.806 1.826 4.497) 10.055 3.633 ( -8.905 -5.175 3.600) 10.911 3.799 ( -2.153 -0.331 3.000) 3.707 4.005 ( 0.415 0.485 0.244) 0.684 4.129 ( 1.217 -1.949 -0.398) 2.331 4.167 ( 2.126 -1.029 -1.308) 2.700 4.431 ( -4.988 1.030 0.139) 5.095 4.479 ( -1.668 -0.307 3.427) 3.824 4.731 ( 2.061 1.156 0.372) 2.392 4.792 ( -0.186 0.918 0.616) 1.121 4.825 ( 5.355 -1.935 3.480) 6.673 4.981 ( 4.118 0.497 0.447) 4.172 5.134 ( 0.292 0.776 1.375) 1.606 5.325 ( 4.037 0.943 -4.676) 6.249 5.683 ( -1.892 -1.063 1.197) 2.478 5.837 ( -0.572 -2.294 -3.381) 4.126 ======================= Grid point 346 (118/172) ======================= q-point: (-0.42 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -12.181 0.899 -6.671) 13.918 1.174 ( -3.803 9.065 1.860) 10.005 1.630 ( -7.048 -0.819 2.795) 7.626 1.901 ( 2.924 -4.791 2.888) 6.312 2.049 ( -3.747 -0.658 -5.346) 6.562 2.194 ( -9.234 5.859 -6.031) 12.488 2.307 ( -3.801 1.105 -4.448) 5.954 2.343 ( -2.753 1.251 -3.913) 4.946 2.737 ( -4.564 2.491 3.562) 6.302 2.791 ( -3.889 1.460 6.483) 7.700 2.918 ( -6.429 0.190 -1.815) 6.683 2.988 ( -0.704 1.521 2.421) 2.945 3.216 ( -3.063 1.070 1.856) 3.738 3.256 ( 0.494 4.217 0.164) 4.249 3.379 ( -3.003 0.568 0.178) 3.062 3.536 ( -4.566 -7.680 0.649) 8.959 3.773 ( -1.610 -5.428 -0.540) 5.688 3.997 ( -0.236 1.233 -2.872) 3.135 4.154 ( -1.500 -1.129 2.115) 2.828 4.201 ( 1.171 -1.436 -1.325) 2.278 4.349 ( -1.856 0.868 -5.192) 5.582 4.460 ( -1.534 -0.551 1.503) 2.217 4.701 ( -3.009 -0.234 0.747) 3.109 4.793 ( 0.755 -1.031 -0.808) 1.512 4.956 ( 6.403 1.477 7.533) 9.997 5.080 ( 6.378 1.040 4.612) 7.939 5.182 ( 5.417 2.239 2.162) 6.248 5.399 ( 4.727 3.048 -5.200) 7.660 5.637 ( -3.317 -0.625 1.311) 3.621 5.806 ( -4.187 -2.922 -4.122) 6.562 ======================= Grid point 347 (119/172) ======================= q-point: (-0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -9.224 4.854 -1.189) 10.491 1.121 ( 3.792 10.731 7.344) 13.545 1.494 ( -9.609 -3.923 0.007) 10.379 1.906 ( -6.383 6.809 0.954) 9.381 1.939 ( -7.426 2.893 -5.400) 9.626 2.021 ( 1.155 5.270 0.104) 5.396 2.227 ( -0.118 4.536 -1.476) 4.771 2.355 ( 1.091 -3.128 -1.924) 3.831 2.591 ( -9.326 -0.917 1.420) 9.478 2.749 ( 0.391 -0.310 4.705) 4.732 2.826 ( -3.911 -2.656 -4.879) 6.794 3.009 ( 2.804 1.868 3.708) 5.010 3.181 ( -1.408 1.734 2.427) 3.298 3.255 ( 1.170 3.850 -1.857) 4.432 3.306 ( -2.526 3.191 0.611) 4.116 3.510 ( -2.728 -9.303 -0.397) 9.703 3.794 ( 0.024 -7.251 -4.374) 8.468 3.997 ( 0.629 0.277 -2.953) 3.032 4.078 ( -4.832 -0.054 5.202) 7.100 4.246 ( 2.052 -2.000 -3.023) 4.166 4.343 ( 0.186 -0.014 -6.425) 6.428 4.403 ( -4.393 -1.303 -3.511) 5.773 4.670 ( -0.395 -0.176 4.550) 4.571 4.817 ( 0.891 -1.371 -0.968) 1.900 5.032 ( 3.093 3.535 8.386) 9.612 5.196 ( 5.196 -0.985 5.444) 7.590 5.305 ( 9.146 3.377 2.610) 10.093 5.460 ( 3.470 4.590 -4.166) 7.104 5.569 ( -3.709 1.024 0.503) 3.880 5.708 ( -7.558 -2.048 -4.272) 8.920 ======================= Grid point 348 (120/172) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.000 4.175 5.131) 6.615 1.157 ( 0.000 13.314 16.097) 20.890 1.341 ( 0.000 0.366 -4.139) 4.155 1.767 ( 0.000 11.761 1.945) 11.920 1.877 ( -0.000 -3.284 -6.468) 7.254 1.997 ( 0.000 10.193 -2.220) 10.431 2.229 ( 0.000 2.946 -2.139) 3.640 2.409 ( -0.000 -7.551 3.874) 8.487 2.480 ( -0.000 -1.102 -2.465) 2.700 2.772 ( -0.000 -1.339 5.202) 5.372 2.795 ( -0.000 -3.829 -7.250) 8.199 3.045 ( 0.000 0.836 5.528) 5.591 3.131 ( 0.000 5.673 1.598) 5.894 3.252 ( 0.000 3.676 -2.878) 4.668 3.269 ( 0.000 3.805 -0.581) 3.849 3.536 ( -0.000 -11.312 -1.742) 11.446 3.832 ( -0.000 -6.938 -5.238) 8.693 4.011 ( 0.000 0.772 -3.886) 3.962 4.019 ( -0.000 -0.279 7.209) 7.214 4.280 ( 0.000 0.228 -3.778) 3.785 4.323 ( -0.000 -0.967 -2.957) 3.111 4.377 ( -0.000 -3.613 -5.635) 6.694 4.669 ( 0.000 0.419 5.252) 5.269 4.833 ( -0.000 -1.112 -1.153) 1.602 5.042 ( 0.000 3.743 8.568) 9.350 5.257 ( -0.000 -1.628 5.136) 5.388 5.456 ( 0.000 3.832 -0.833) 3.922 5.481 ( 0.000 0.440 0.206) 0.486 5.498 ( 0.000 0.868 -0.301) 0.919 5.575 ( 0.000 4.076 -4.113) 5.791 ======================= Grid point 355 (121/172) ======================= q-point: (-0.67 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -8.973 0.000 -10.413) 13.746 1.451 ( -3.663 0.000 -7.907) 8.714 1.804 ( -3.315 0.000 1.354) 3.581 1.960 ( -8.276 0.000 -0.029) 8.276 2.086 ( -0.800 0.000 -0.868) 1.180 2.219 ( 2.355 -0.000 -5.597) 6.072 2.478 ( -0.299 0.000 -4.539) 4.549 2.494 ( -3.181 0.000 0.474) 3.216 2.863 ( -0.686 0.000 0.938) 1.162 2.893 ( 0.021 -0.000 -2.275) 2.275 3.021 ( -3.824 0.000 0.231) 3.831 3.125 ( -0.535 0.000 1.849) 1.925 3.274 ( 1.379 -0.000 -2.967) 3.272 3.327 ( -1.647 0.000 -0.700) 1.790 3.675 ( -1.412 0.000 4.437) 4.656 3.733 ( -5.599 0.000 5.524) 7.865 3.889 ( -4.714 0.000 2.747) 5.457 3.956 ( 1.157 -0.000 3.828) 3.999 4.130 ( 0.070 -0.000 0.887) 0.889 4.168 ( -8.143 0.000 2.405) 8.491 4.512 ( -2.604 0.000 3.616) 4.456 4.519 ( -1.526 0.000 2.632) 3.042 4.665 ( 6.438 -0.000 3.311) 7.239 4.701 ( 1.270 -0.000 -1.038) 1.641 4.833 ( -0.600 0.000 -2.368) 2.443 4.934 ( 0.902 -0.000 -3.573) 3.685 5.174 ( -3.861 0.000 0.354) 3.877 5.260 ( 3.201 -0.000 -2.375) 3.986 5.700 ( -1.039 0.000 0.041) 1.039 5.798 ( 2.781 -0.000 -2.391) 3.668 ======================= Grid point 357 (122/172) ======================= q-point: (-0.58 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -11.810 -0.533 -7.941) 14.242 1.365 ( -4.802 2.790 -4.602) 7.212 1.768 ( -2.578 1.039 2.729) 3.895 1.810 ( -5.675 -2.977 4.994) 8.125 2.076 ( -0.735 -0.554 -4.088) 4.191 2.267 ( 2.204 0.236 -6.806) 7.158 2.410 ( -5.031 2.820 -4.899) 7.567 2.438 ( -4.750 -2.383 -4.770) 7.141 2.829 ( -2.292 0.301 4.720) 5.256 2.862 ( -2.717 0.220 -1.100) 2.939 2.978 ( -1.002 0.538 -0.548) 1.262 3.091 ( -4.095 0.163 2.627) 4.868 3.291 ( 0.169 3.502 -2.011) 4.042 3.331 ( 2.157 -2.583 -3.978) 5.211 3.487 ( -13.453 6.049 6.228) 16.012 3.573 ( -10.257 -6.381 5.898) 13.443 3.798 ( -4.272 0.020 3.252) 5.369 4.010 ( 1.509 0.383 1.017) 1.859 4.114 ( 1.054 -0.897 -0.466) 1.460 4.160 ( 2.552 -0.375 -1.498) 2.983 4.440 ( -5.279 0.638 -1.410) 5.501 4.476 ( -1.387 -0.283 3.899) 4.148 4.745 ( 2.018 1.324 0.270) 2.429 4.787 ( -2.663 -1.309 -0.656) 3.039 4.817 ( 7.685 0.064 4.875) 9.101 4.984 ( 4.607 0.097 0.301) 4.618 5.140 ( 0.634 0.327 1.545) 1.702 5.331 ( 4.516 0.337 -4.792) 6.593 5.675 ( -1.834 -0.399 1.114) 2.182 5.822 ( -0.619 -0.825 -3.004) 3.176 ======================= Grid point 358 (123/172) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -10.234 0.396 -8.340) 13.208 1.251 ( -4.262 5.731 -0.582) 7.166 1.643 ( -6.549 3.601 7.018) 10.252 1.826 ( 0.436 -9.016 5.514) 10.577 2.056 ( -1.169 1.208 -5.094) 5.365 2.245 ( -7.010 3.996 -6.943) 10.645 2.295 ( -3.309 -1.614 -6.943) 7.859 2.367 ( -1.646 1.776 -5.043) 5.594 2.759 ( -5.422 1.536 3.341) 6.551 2.813 ( -1.975 2.336 3.916) 4.969 2.930 ( -7.470 2.561 0.995) 7.959 2.992 ( -1.543 -0.992 2.805) 3.351 3.224 ( -6.961 0.271 4.648) 8.374 3.294 ( -0.105 3.258 0.303) 3.273 3.375 ( -1.084 -1.083 -1.862) 2.411 3.472 ( -2.862 -4.735 1.417) 5.711 3.728 ( -3.477 -3.416 0.353) 4.887 4.006 ( -0.876 0.541 -3.456) 3.606 4.148 ( 0.316 0.029 -0.030) 0.319 4.183 ( -0.727 -1.910 0.677) 2.153 4.363 ( -1.166 1.566 -7.443) 7.695 4.453 ( -1.998 -0.662 1.379) 2.517 4.701 ( -3.537 0.147 1.457) 3.828 4.781 ( 0.638 -1.245 -0.442) 1.467 4.969 ( 7.448 1.116 7.704) 10.774 5.086 ( 5.605 0.241 4.036) 6.912 5.201 ( 6.173 1.549 2.559) 6.860 5.424 ( 5.539 1.766 -5.465) 7.979 5.633 ( -2.687 -0.245 0.941) 2.858 5.782 ( -4.267 -1.800 -3.387) 5.738 ======================= Grid point 359 (124/172) ======================= q-point: (-0.42 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( -6.701 5.770 -7.103) 11.342 1.195 ( 1.834 3.321 1.544) 4.096 1.487 ( -8.299 3.845 6.925) 11.473 1.844 ( -4.355 -9.983 1.803) 11.040 2.049 ( -2.595 10.124 -4.450) 11.360 2.078 ( 0.773 5.875 -1.083) 6.023 2.254 ( -1.374 -0.676 -3.744) 4.045 2.354 ( 0.479 3.719 -0.867) 3.849 2.583 ( -11.197 -0.901 2.374) 11.481 2.765 ( -0.957 3.751 5.233) 6.509 2.802 ( -3.995 -1.733 -5.026) 6.650 3.011 ( 1.488 -2.193 3.607) 4.476 3.184 ( 0.612 -1.723 4.451) 4.812 3.277 ( -0.781 1.001 1.070) 1.661 3.327 ( -2.916 0.723 0.313) 3.021 3.458 ( -0.891 -0.081 -1.400) 1.662 3.720 ( -0.418 -7.265 -3.926) 8.269 3.994 ( -0.116 -0.702 -4.546) 4.601 4.078 ( -4.844 0.135 4.409) 6.551 4.218 ( 1.871 -2.934 -3.274) 4.778 4.356 ( -0.615 1.893 -7.188) 7.459 4.394 ( -3.389 -0.615 -5.688) 6.650 4.666 ( -0.405 -0.477 5.555) 5.590 4.802 ( 0.817 -1.366 -0.329) 1.626 5.067 ( 3.787 3.098 8.507) 9.814 5.186 ( 4.523 -0.990 5.392) 7.107 5.334 ( 8.496 2.260 2.649) 9.182 5.497 ( 2.581 2.636 -3.466) 5.062 5.585 ( -1.867 2.220 -1.089) 3.098 5.686 ( -6.455 -2.284 -3.499) 7.690 ======================= Grid point 360 (125/172) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.000 8.591 -2.685) 9.001 1.293 ( -0.000 -8.047 -5.119) 9.537 1.296 ( 0.000 14.346 13.043) 19.389 1.827 ( -0.000 -6.939 -2.762) 7.469 1.917 ( 0.000 16.039 1.201) 16.084 2.105 ( 0.000 11.034 0.020) 11.034 2.250 ( 0.000 1.242 -1.360) 1.841 2.348 ( -0.000 -4.482 2.484) 5.124 2.466 ( -0.000 -1.679 -0.486) 1.748 2.757 ( -0.000 -3.567 -9.079) 9.755 2.768 ( 0.000 1.062 5.329) 5.434 3.043 ( -0.000 -1.658 4.842) 5.118 3.184 ( 0.000 4.726 1.660) 5.009 3.283 ( 0.000 2.489 -1.890) 3.125 3.284 ( -0.000 -2.820 3.399) 4.416 3.451 ( -0.000 -3.016 -0.904) 3.148 3.758 ( -0.000 -7.749 -5.660) 9.596 4.010 ( -0.000 -0.905 -5.942) 6.010 4.017 ( -0.000 -0.218 6.945) 6.948 4.262 ( -0.000 -3.288 -3.979) 5.162 4.314 ( -0.000 -0.870 -2.923) 3.050 4.372 ( 0.000 2.000 -9.991) 10.190 4.668 ( -0.000 -0.452 6.306) 6.322 4.819 ( -0.000 -1.549 -0.441) 1.610 5.083 ( 0.000 4.162 8.681) 9.627 5.241 ( -0.000 -1.562 5.830) 6.035 5.485 ( 0.000 0.415 0.283) 0.503 5.491 ( 0.000 3.055 -0.303) 3.070 5.506 ( 0.000 0.712 -0.331) 0.786 5.611 ( 0.000 3.079 -5.428) 6.240 ======================= Grid point 369 (126/172) ======================= q-point: (-0.58 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -9.378 0.000 -9.045) 13.029 1.280 ( -5.077 0.000 -1.586) 5.319 1.681 ( -5.336 0.000 9.725) 11.093 1.760 ( -1.053 0.000 4.989) 5.098 2.063 ( -0.086 0.000 -4.458) 4.459 2.267 ( -3.445 0.000 -6.424) 7.289 2.285 ( -7.160 0.000 -8.643) 11.223 2.375 ( -0.168 0.000 -5.318) 5.321 2.767 ( -5.692 0.000 3.862) 6.878 2.825 ( -1.189 0.000 0.450) 1.271 2.965 ( -1.179 0.000 2.175) 2.474 2.968 ( -8.013 0.000 4.384) 9.134 3.223 ( -10.265 0.000 6.794) 12.310 3.313 ( -0.826 0.000 -0.089) 0.831 3.367 ( -0.157 0.000 -2.826) 2.830 3.448 ( -0.248 0.000 1.171) 1.197 3.710 ( -4.467 0.000 0.827) 4.543 4.009 ( -1.230 0.000 -3.792) 3.986 4.151 ( 2.391 -0.000 -2.412) 3.396 4.171 ( -2.816 0.000 3.080) 4.173 4.372 ( -0.767 0.000 -8.484) 8.519 4.449 ( -2.263 0.000 1.667) 2.810 4.702 ( -3.971 0.000 1.696) 4.318 4.774 ( 0.885 -0.000 -0.222) 0.912 4.975 ( 7.769 -0.000 7.691) 10.932 5.087 ( 5.358 -0.000 3.834) 6.589 5.210 ( 6.398 -0.000 2.679) 6.936 5.433 ( 5.834 -0.000 -5.547) 8.050 5.632 ( -2.377 0.000 0.752) 2.493 5.772 ( -4.367 0.000 -3.083) 5.346 ======================= Grid point 371 (127/172) ======================= q-point: (-0.50 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -4.111 2.849 -11.933) 12.939 1.199 ( -2.599 -0.929 0.756) 2.861 1.558 ( -5.549 7.814 9.801) 13.708 1.742 ( -3.528 -8.841 4.059) 10.348 2.101 ( 5.256 1.876 -1.092) 5.687 2.153 ( -3.893 7.758 -5.768) 10.421 2.220 ( -1.909 -5.348 -5.874) 8.170 2.398 ( 2.006 3.167 -1.423) 4.010 2.574 ( -13.535 -0.623 3.410) 13.972 2.785 ( -5.053 -0.510 -5.551) 7.524 2.835 ( -1.032 8.129 7.010) 10.784 2.956 ( -0.912 -8.067 4.125) 9.106 3.160 ( 1.557 -1.712 7.145) 7.510 3.285 ( -2.447 0.590 1.799) 3.094 3.329 ( -2.351 0.010 -0.356) 2.378 3.484 ( 2.179 3.092 -3.433) 5.108 3.659 ( -1.465 -4.206 -2.735) 5.227 3.987 ( -0.647 -0.467 -6.225) 6.276 4.080 ( -5.179 0.079 4.112) 6.614 4.196 ( 2.055 -1.153 -3.359) 4.103 4.370 ( -4.200 0.774 -3.557) 5.558 4.390 ( 0.356 -0.090 -10.427) 10.433 4.662 ( -0.514 -0.216 6.117) 6.142 4.792 ( 0.840 -0.559 0.062) 1.011 5.090 ( 4.338 1.308 8.703) 9.811 5.178 ( 4.050 -0.521 5.153) 6.575 5.349 ( 8.062 0.793 2.664) 8.527 5.513 ( 1.519 0.702 -2.486) 2.996 5.608 ( 0.650 1.940 -3.158) 3.762 5.664 ( -6.785 -1.708 -2.467) 7.419 ======================= Grid point 372 (128/172) ======================= q-point: (-0.42 0.42 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.000 8.057 -10.407) 13.161 1.209 ( -0.000 -7.808 -1.236) 7.905 1.435 ( 0.000 13.151 10.340) 16.729 1.742 ( -0.000 -9.521 0.978) 9.571 2.059 ( 0.000 11.968 -2.437) 12.214 2.185 ( 0.000 2.273 -2.520) 3.394 2.269 ( 0.000 4.154 2.739) 4.975 2.319 ( -0.000 -1.708 1.161) 2.065 2.449 ( -0.000 -1.500 1.731) 2.290 2.728 ( -0.000 -2.116 -10.274) 10.489 2.801 ( 0.000 5.762 6.082) 8.378 2.997 ( -0.000 -8.180 4.414) 9.294 3.221 ( 0.000 2.707 1.515) 3.102 3.228 ( -0.000 -5.303 8.484) 10.005 3.301 ( 0.000 1.155 -1.182) 1.653 3.478 ( 0.000 5.952 -3.273) 6.792 3.682 ( -0.000 -7.277 -4.862) 8.751 3.997 ( -0.000 -1.400 -8.691) 8.803 4.015 ( -0.000 -0.113 6.734) 6.735 4.233 ( -0.000 -2.115 -4.178) 4.683 4.307 ( -0.000 -0.518 -2.895) 2.941 4.395 ( 0.000 2.047 -11.786) 11.963 4.663 ( -0.000 -0.514 7.034) 7.052 4.805 ( -0.000 -1.020 0.078) 1.023 5.120 ( 0.000 2.943 8.879) 9.354 5.226 ( -0.000 -1.343 5.839) 5.992 5.489 ( 0.000 0.249 0.333) 0.416 5.512 ( 0.000 0.400 -0.348) 0.530 5.515 ( 0.000 1.707 0.175) 1.716 5.635 ( 0.000 1.640 -6.190) 6.404 ======================= Grid point 384 (129/172) ======================= q-point: ( 0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.000 0.000 -14.983) 14.983 1.164 ( -0.000 -0.000 2.193) 2.193 1.522 ( 0.000 0.000 9.094) 9.094 1.673 ( -0.000 -0.000 2.656) 2.656 2.152 ( -0.000 -0.000 -7.951) 7.951 2.155 ( 0.000 0.000 0.256) 0.256 2.302 ( -0.000 -0.000 3.506) 3.506 2.311 ( 0.000 0.000 0.682) 0.682 2.440 ( 0.000 0.000 3.213) 3.213 2.717 ( 0.000 0.000 -10.711) 10.711 2.867 ( 0.000 0.000 8.199) 8.199 2.913 ( 0.000 0.000 3.371) 3.371 3.203 ( 0.000 0.000 9.239) 9.239 3.235 ( -0.000 -0.000 1.422) 1.422 3.306 ( 0.000 0.000 -0.906) 0.906 3.522 ( 0.000 0.000 -4.235) 4.235 3.634 ( -0.000 -0.000 -3.784) 3.784 3.989 ( -0.000 -0.000 -10.061) 10.061 4.014 ( 0.000 0.000 6.653) 6.653 4.223 ( 0.000 0.000 -4.124) 4.124 4.304 ( 0.000 0.000 -2.884) 2.884 4.406 ( 0.000 0.000 -12.344) 12.344 4.660 ( 0.000 0.000 7.335) 7.335 4.800 ( 0.000 0.000 0.271) 0.271 5.136 ( -0.000 -0.000 9.129) 9.129 5.218 ( 0.000 0.000 5.615) 5.615 5.490 ( 0.000 0.000 0.351) 0.351 5.514 ( 0.000 0.000 -0.353) 0.353 5.524 ( 0.000 0.000 0.358) 0.358 5.643 ( 0.000 0.000 -6.440) 6.440 ======================= Grid point 453 (130/172) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 0.000 8.501) 8.501 1.047 ( 0.000 0.000 -3.597) 3.597 1.323 ( 0.000 0.000 19.404) 19.404 1.653 ( 0.000 0.000 -15.336) 15.336 1.660 ( 0.000 0.000 -2.929) 2.929 1.691 ( 0.000 0.000 -4.569) 4.569 2.234 ( 0.000 0.000 8.952) 8.952 2.384 ( 0.000 0.000 -6.128) 6.128 2.714 ( 0.000 0.000 4.906) 4.906 2.793 ( 0.000 0.000 -2.832) 2.832 2.948 ( 0.000 0.000 8.995) 8.995 3.039 ( 0.000 0.000 -0.211) 0.211 3.057 ( 0.000 0.000 -2.656) 2.656 3.129 ( 0.000 0.000 -7.707) 7.707 3.168 ( 0.000 0.000 9.801) 9.801 3.409 ( 0.000 0.000 -16.512) 16.512 3.928 ( 0.000 0.000 -0.179) 0.179 3.928 ( 0.000 0.000 -0.347) 0.347 4.161 ( 0.000 0.000 6.485) 6.485 4.267 ( 0.000 0.000 -4.761) 4.761 4.472 ( 0.000 0.000 5.583) 5.583 4.501 ( 0.000 0.000 1.819) 1.819 4.660 ( 0.000 0.000 1.826) 1.826 4.734 ( 0.000 0.000 -5.378) 5.378 5.126 ( 0.000 0.000 5.570) 5.570 5.225 ( 0.000 0.000 -4.829) 4.829 5.434 ( 0.000 0.000 3.193) 3.193 5.475 ( 0.000 0.000 -1.158) 1.158 5.475 ( 0.000 0.000 0.009) 0.009 5.476 ( 0.000 0.000 -0.093) 0.093 ======================= Grid point 454 (131/172) ======================= q-point: ( 0.08 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -3.221 4.309 7.202) 8.990 0.969 ( -0.801 -4.733 1.877) 5.154 1.515 ( 11.615 0.346 3.741) 12.207 1.603 ( -0.169 -3.206 -4.944) 5.895 1.756 ( 7.545 -1.773 -1.668) 7.928 1.826 ( 10.642 -1.781 -8.616) 13.808 2.247 ( 1.533 -0.551 9.065) 9.210 2.382 ( 0.080 0.125 -5.141) 5.143 2.745 ( 3.600 3.236 4.569) 6.657 2.822 ( 2.851 1.896 -2.957) 4.524 2.930 ( -0.708 -0.166 8.453) 8.484 3.017 ( -1.789 -0.844 3.901) 4.374 3.040 ( -1.512 -3.123 -3.451) 4.894 3.143 ( 1.112 -0.391 -6.769) 6.871 3.237 ( 6.244 -0.782 6.776) 9.247 3.446 ( 3.951 0.554 -15.461) 15.968 3.906 ( -1.912 0.556 0.144) 1.997 3.912 ( -1.869 -0.795 -0.633) 2.128 4.217 ( 5.028 0.325 6.670) 8.359 4.326 ( 4.563 0.671 -4.677) 6.569 4.437 ( -0.884 5.895 5.122) 7.859 4.483 ( -1.246 2.117 0.528) 2.513 4.663 ( -0.221 -2.496 2.401) 3.470 4.736 ( -0.557 -2.340 -4.812) 5.380 5.108 ( -2.071 -0.315 5.391) 5.784 5.192 ( -4.533 -0.976 -2.892) 5.464 5.290 ( -7.809 0.220 1.099) 7.889 5.302 ( -7.550 -1.562 -0.014) 7.710 5.601 ( 6.879 0.131 2.568) 7.344 5.659 ( 8.466 0.205 -3.683) 9.235 ======================= Grid point 455 (132/172) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 2.555 -2.025 6.198) 7.003 1.024 ( 4.122 -0.503 -6.325) 7.566 1.633 ( 5.373 -0.619 0.965) 5.494 1.706 ( 6.361 -3.308 -5.242) 8.882 1.954 ( 8.574 -2.532 0.139) 8.941 2.022 ( 7.470 -1.848 -6.466) 10.051 2.317 ( 6.165 0.908 6.457) 8.974 2.397 ( 2.311 2.216 -2.786) 4.244 2.793 ( 2.852 1.401 4.054) 5.151 2.858 ( 2.231 1.900 -2.421) 3.801 2.948 ( 1.962 -0.900 7.009) 7.334 3.018 ( 1.979 0.531 2.190) 2.999 3.073 ( 3.442 -5.066 1.505) 6.307 3.182 ( 2.771 -0.856 -4.584) 5.425 3.374 ( 7.154 -0.738 4.726) 8.606 3.542 ( 6.397 1.492 -13.036) 14.597 3.857 ( -2.949 -0.200 0.489) 2.996 3.873 ( -2.766 -1.823 -1.275) 3.549 4.281 ( 0.688 2.674 4.547) 5.320 4.326 ( -2.523 3.883 0.512) 4.659 4.442 ( 3.568 3.974 2.924) 6.088 4.487 ( 2.974 0.615 -0.686) 3.113 4.683 ( 1.290 -2.287 1.338) 2.947 4.734 ( -0.666 -1.911 -3.588) 4.119 5.040 ( -5.897 0.087 4.025) 7.140 5.069 ( -7.333 -2.611 1.573) 7.942 5.173 ( -4.211 -0.324 1.528) 4.491 5.229 ( -2.080 -1.408 -3.967) 4.696 5.709 ( 4.647 0.714 3.105) 5.635 5.782 ( 4.860 0.980 -4.717) 6.844 ======================= Grid point 456 (133/172) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 6.764 -3.641 0.784) 7.722 1.113 ( 4.711 -1.171 -9.899) 11.025 1.776 ( 8.936 0.252 2.818) 9.373 1.846 ( 7.213 -0.582 -3.841) 8.193 2.055 ( 2.092 -1.738 0.506) 2.767 2.106 ( 1.340 -2.239 -4.556) 5.250 2.416 ( 3.326 2.201 0.577) 4.030 2.432 ( 2.206 2.709 -1.121) 3.669 2.857 ( 3.548 -0.009 2.845) 4.548 2.906 ( 3.383 0.636 -2.086) 4.025 2.999 ( 3.502 0.565 5.481) 6.529 3.066 ( 2.774 -0.238 -1.098) 2.993 3.206 ( 6.497 -3.385 3.706) 8.210 3.243 ( 2.908 -1.346 -0.463) 3.238 3.506 ( 7.337 -0.459 5.962) 9.465 3.667 ( 7.614 1.939 -8.661) 11.694 3.805 ( -3.123 -1.885 0.783) 3.731 3.838 ( -2.015 -4.159 -3.589) 5.852 4.238 ( -2.069 3.315 2.271) 4.520 4.257 ( -2.432 2.812 0.487) 3.749 4.505 ( 3.305 1.068 3.767) 5.124 4.540 ( 3.235 0.662 0.738) 3.384 4.724 ( 0.428 -0.067 -0.361) 0.564 4.738 ( 1.733 -1.411 -1.008) 2.452 4.914 ( -6.608 -0.449 3.071) 7.301 4.956 ( -5.554 -0.875 -0.787) 5.677 5.141 ( 0.155 -0.518 2.625) 2.680 5.210 ( -0.644 -0.577 -4.201) 4.289 5.763 ( 1.545 1.220 2.866) 3.476 5.832 ( 1.163 1.618 -4.410) 4.839 ======================= Grid point 457 (134/172) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 6.599 -2.857 -3.542) 8.016 1.208 ( 4.200 -2.333 -9.103) 10.293 1.904 ( 4.211 3.218 2.195) 5.737 1.967 ( 4.488 2.591 -4.151) 6.640 2.098 ( 3.735 -1.864 2.748) 4.997 2.158 ( 3.934 -2.371 -3.280) 5.644 2.419 ( -0.715 1.130 1.088) 1.724 2.453 ( 0.206 -0.268 -2.468) 2.491 2.885 ( -0.195 1.507 3.324) 3.655 2.945 ( 0.437 1.491 -2.785) 3.189 3.083 ( 5.677 1.315 3.571) 6.834 3.119 ( 2.600 -0.656 0.530) 2.733 3.260 ( 0.835 0.168 1.115) 1.403 3.308 ( 0.982 -0.877 -2.859) 3.148 3.685 ( 6.787 -1.626 6.970) 9.863 3.734 ( -2.401 -1.452 0.022) 2.806 3.764 ( 0.963 -3.848 3.144) 5.061 3.900 ( 7.279 -2.932 -8.811) 11.799 4.201 ( -0.009 1.179 2.701) 2.947 4.230 ( 0.975 0.523 -0.056) 1.108 4.551 ( 1.951 -0.468 3.441) 3.983 4.598 ( 2.523 0.313 -0.939) 2.710 4.709 ( -0.856 1.695 4.389) 4.782 4.781 ( 0.744 -0.635 0.174) 0.993 4.806 ( -3.670 1.943 0.703) 4.211 4.881 ( -2.634 0.189 -4.029) 4.817 5.173 ( 2.733 -0.397 1.152) 2.992 5.208 ( 0.265 -0.202 -2.409) 2.432 5.756 ( -1.497 1.305 2.303) 3.041 5.814 ( -1.964 1.930 -3.767) 4.666 ======================= Grid point 458 (135/172) ======================= q-point: ( 0.42 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 3.800 -1.247 -5.372) 6.698 1.284 ( 2.418 -1.710 -7.691) 8.241 1.933 ( 1.299 1.932 0.750) 2.446 1.972 ( -0.899 1.340 -3.466) 3.823 2.211 ( 4.882 0.666 2.673) 5.606 2.260 ( 5.786 0.637 -2.243) 6.238 2.402 ( -0.616 -0.957 1.739) 2.078 2.449 ( -1.156 -2.352 -2.839) 3.864 2.859 ( -0.877 1.716 3.037) 3.597 2.911 ( -2.626 1.551 -2.067) 3.685 3.158 ( 1.340 -0.150 3.921) 4.146 3.183 ( 4.372 0.972 1.656) 4.775 3.279 ( 1.795 0.914 -0.857) 2.188 3.314 ( 0.336 -0.729 -3.448) 3.540 3.640 ( -5.006 -1.308 1.602) 5.416 3.660 ( -5.136 -1.387 -0.381) 5.334 3.932 ( 6.816 -2.947 6.098) 9.609 4.036 ( 4.325 -2.286 -4.574) 6.698 4.230 ( 2.854 0.080 5.134) 5.874 4.302 ( 5.868 -1.585 -1.905) 6.370 4.579 ( 0.493 -0.855 2.462) 2.653 4.609 ( -1.175 -0.020 0.519) 1.284 4.700 ( 1.180 2.161 3.839) 4.561 4.734 ( -1.430 1.599 2.887) 3.597 4.791 ( -1.169 1.551 -2.708) 3.333 4.844 ( -1.129 0.542 -5.547) 5.687 5.220 ( 1.120 -0.339 0.875) 1.461 5.241 ( 3.428 -0.391 -1.322) 3.695 5.706 ( -2.716 0.746 1.667) 3.274 5.753 ( -2.994 1.677 -3.175) 4.675 ======================= Grid point 459 (136/172) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -0.000 -0.000 -6.054) 6.054 1.309 ( 0.000 -0.000 -6.776) 6.776 1.947 ( -0.000 -0.000 -1.465) 1.465 1.952 ( 0.000 0.000 -1.590) 1.590 2.250 ( 0.000 -0.000 3.524) 3.524 2.321 ( 0.000 -0.000 -3.609) 3.609 2.411 ( 0.000 0.000 1.153) 1.153 2.436 ( -0.000 -0.000 -1.311) 1.311 2.857 ( 0.000 -0.000 0.526) 0.526 2.862 ( -0.000 -0.000 0.478) 0.478 3.167 ( 0.000 0.000 4.546) 4.546 3.220 ( 0.000 -0.000 0.069) 0.069 3.314 ( -0.000 -0.000 -1.468) 1.468 3.320 ( 0.000 0.000 -1.735) 1.735 3.591 ( -0.000 0.000 0.494) 0.494 3.598 ( 0.000 -0.000 0.126) 0.126 3.999 ( 0.000 -0.000 5.007) 5.007 4.081 ( 0.000 -0.000 -3.382) 3.382 4.268 ( -0.000 -0.000 7.669) 7.669 4.384 ( 0.000 -0.000 -3.942) 3.942 4.585 ( -0.000 -0.000 1.673) 1.673 4.589 ( 0.000 -0.000 2.172) 2.172 4.714 ( -0.000 -0.000 3.055) 3.055 4.724 ( -0.000 -0.000 2.460) 2.460 4.753 ( 0.000 -0.000 -2.456) 2.456 4.832 ( 0.000 -0.000 -6.258) 6.258 5.234 ( 0.000 -0.000 2.489) 2.489 5.282 ( 0.000 -0.000 -2.481) 2.481 5.673 ( 0.000 -0.000 1.383) 1.383 5.714 ( 0.000 0.000 -2.913) 2.913 ======================= Grid point 467 (137/172) ======================= q-point: ( 0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( 1.887 -0.000 6.810) 7.067 1.022 ( 4.434 -0.000 -6.822) 8.136 1.631 ( 4.875 -0.000 0.301) 4.885 1.688 ( 7.587 -0.000 -4.578) 8.861 1.941 ( 8.947 -0.000 0.124) 8.947 2.012 ( 7.651 -0.000 -6.930) 10.323 2.321 ( 6.681 -0.000 7.022) 9.692 2.408 ( 2.627 -0.000 -2.991) 3.981 2.801 ( 1.771 -0.000 4.446) 4.786 2.869 ( 1.528 -0.000 -2.486) 2.918 2.944 ( 2.209 -0.000 6.734) 7.087 3.028 ( 1.444 -0.000 -3.030) 3.357 3.037 ( 4.720 -0.000 7.110) 8.534 3.178 ( 2.785 -0.000 -5.249) 5.942 3.370 ( 7.379 -0.000 5.216) 9.036 3.549 ( 6.559 -0.000 -13.819) 15.296 3.857 ( -3.358 0.000 0.069) 3.359 3.862 ( -3.022 0.000 -0.524) 3.067 4.294 ( 1.355 -0.000 5.093) 5.271 4.346 ( -2.979 0.000 0.318) 2.996 4.473 ( 2.933 -0.000 1.944) 3.519 4.481 ( 1.752 -0.000 1.230) 2.140 4.670 ( 1.943 -0.000 0.978) 2.176 4.723 ( -0.175 0.000 -4.198) 4.202 5.047 ( -4.629 0.000 3.129) 5.587 5.049 ( -8.329 0.000 2.675) 8.748 5.172 ( -4.408 0.000 1.163) 4.559 5.221 ( -1.633 0.000 -3.828) 4.161 5.713 ( 4.725 -0.000 3.158) 5.683 5.787 ( 4.949 -0.000 -4.823) 6.910 ======================= Grid point 468 (138/172) ======================= q-point: ( 0.17 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 7.054 -1.385 1.337) 7.312 1.106 ( 4.291 -0.357 -11.340) 12.130 1.779 ( 10.291 0.281 2.919) 10.701 1.841 ( 8.160 -0.368 -3.141) 8.752 2.043 ( 2.788 -0.596 -0.128) 2.854 2.089 ( 0.949 -0.932 -5.029) 5.202 2.431 ( 3.184 0.769 1.129) 3.465 2.451 ( 1.211 1.054 -1.130) 1.963 2.857 ( 3.860 -0.001 3.169) 4.994 2.910 ( 3.322 0.258 -2.433) 4.126 3.005 ( 4.293 0.435 5.302) 6.836 3.066 ( 2.148 0.062 -0.795) 2.291 3.177 ( 8.279 -1.816 5.325) 10.009 3.235 ( 2.584 -0.381 -1.298) 2.917 3.503 ( 7.102 -0.168 6.154) 9.399 3.685 ( 7.936 1.353 -11.253) 13.836 3.790 ( -3.620 -0.944 0.426) 3.765 3.806 ( -3.021 -1.860 -1.690) 3.930 4.262 ( -2.967 1.410 2.269) 3.992 4.275 ( -3.401 0.883 0.956) 3.641 4.513 ( 1.872 0.438 3.737) 4.203 4.545 ( 3.801 0.276 0.800) 3.894 4.724 ( 1.173 0.043 -0.879) 1.467 4.727 ( 2.262 -0.695 -0.640) 2.451 4.910 ( -6.247 -0.226 2.856) 6.873 4.949 ( -4.972 -0.349 -0.673) 5.030 5.138 ( 0.264 -0.166 2.606) 2.624 5.206 ( -0.313 -0.194 -4.123) 4.140 5.772 ( 1.553 0.446 2.965) 3.377 5.843 ( 1.191 0.597 -4.627) 4.815 ======================= Grid point 469 (139/172) ======================= q-point: ( 0.25 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 7.500 -1.626 -3.760) 8.546 1.190 ( 4.161 -1.260 -9.914) 10.825 1.936 ( 4.154 3.162 1.988) 5.586 1.985 ( 5.824 0.645 -2.145) 6.240 2.085 ( 3.344 -0.405 0.555) 3.414 2.132 ( 4.785 -2.787 -3.251) 6.421 2.431 ( -1.534 1.248 0.538) 2.050 2.449 ( -0.890 -0.468 -1.405) 1.728 2.898 ( 0.399 1.115 3.200) 3.412 2.957 ( 0.617 0.860 -2.637) 2.841 3.095 ( 5.305 1.018 3.346) 6.354 3.111 ( 2.836 -0.833 2.095) 3.622 3.263 ( 1.222 0.384 0.169) 1.292 3.297 ( 1.856 -1.182 -2.408) 3.262 3.673 ( 8.304 -0.714 8.418) 11.846 3.723 ( -3.499 -0.749 0.159) 3.582 3.734 ( -0.790 -2.118 1.757) 2.863 3.876 ( 8.401 -1.709 -9.703) 12.948 4.212 ( -0.931 0.828 2.421) 2.723 4.233 ( -0.147 0.157 0.256) 0.335 4.546 ( 1.623 -0.353 3.570) 3.937 4.600 ( 1.791 0.048 -1.597) 2.400 4.727 ( 0.290 1.729 4.142) 4.498 4.772 ( 0.231 -1.046 2.350) 2.583 4.823 ( -2.087 1.262 -0.620) 2.517 4.881 ( -2.400 -0.089 -3.922) 4.599 5.170 ( 2.784 -0.212 1.182) 3.032 5.206 ( 0.254 -0.099 -2.496) 2.511 5.767 ( -1.668 0.756 2.515) 3.111 5.829 ( -2.050 1.116 -4.101) 4.719 ======================= Grid point 470 (140/172) ======================= q-point: ( 0.33 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 4.644 -0.548 -5.960) 7.576 1.268 ( 3.208 -1.329 -7.733) 8.477 1.952 ( 0.332 1.787 0.546) 1.898 1.984 ( -1.847 0.997 -2.995) 3.657 2.216 ( 5.613 0.472 2.015) 5.982 2.257 ( 6.171 -1.218 -2.156) 6.650 2.399 ( -0.636 0.237 1.178) 1.359 2.430 ( -1.342 -1.501 -1.873) 2.750 2.876 ( -1.329 1.619 2.847) 3.535 2.922 ( -3.130 0.761 -1.449) 3.532 3.156 ( 1.611 -0.134 4.422) 4.708 3.193 ( 4.269 0.883 1.587) 4.640 3.288 ( 1.657 0.856 -1.579) 2.444 3.305 ( 0.429 -0.888 -3.100) 3.253 3.630 ( -4.836 -0.799 1.527) 5.134 3.648 ( -4.279 -0.975 -0.475) 4.414 3.905 ( 7.996 -2.234 6.380) 10.471 4.014 ( 4.414 -2.006 -4.685) 6.743 4.234 ( 3.149 0.588 3.904) 5.050 4.287 ( 5.364 -1.303 -1.220) 5.653 4.571 ( 0.692 -0.666 2.576) 2.749 4.609 ( -0.690 -0.064 -0.444) 0.823 4.720 ( 0.106 1.827 4.573) 4.925 4.744 ( -1.578 0.526 3.770) 4.120 4.807 ( -1.151 1.464 -3.025) 3.552 4.848 ( -1.206 0.335 -5.571) 5.710 5.217 ( 1.053 -0.177 0.682) 1.267 5.237 ( 3.554 -0.352 -1.379) 3.828 5.713 ( -3.103 0.590 2.059) 3.770 5.767 ( -3.448 1.179 -3.583) 5.110 ======================= Grid point 471 (141/172) ======================= q-point: ( 0.42 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 0.614 0.052 -5.889) 5.921 1.312 ( 1.008 0.507 -6.924) 7.015 1.947 ( -1.499 -0.079 -1.341) 2.013 1.954 ( 0.142 0.334 -1.817) 1.852 2.247 ( -1.327 -0.589 3.151) 3.469 2.307 ( -1.961 -2.462 -2.785) 4.203 2.414 ( 0.718 0.631 1.303) 1.616 2.446 ( 3.359 1.649 -1.768) 4.139 2.856 ( -0.840 -0.084 0.536) 1.000 2.862 ( -1.355 -0.057 0.448) 1.428 3.170 ( 0.314 0.553 4.247) 4.295 3.219 ( -0.936 -0.226 0.055) 0.965 3.313 ( -0.558 -0.035 -1.170) 1.297 3.322 ( 0.493 0.217 -1.682) 1.766 3.590 ( 1.547 -0.091 0.815) 1.751 3.600 ( 0.223 0.357 -0.202) 0.467 3.998 ( 1.500 -0.107 4.813) 5.043 4.072 ( 1.085 -1.544 -2.619) 3.228 4.276 ( 0.580 1.489 6.626) 6.816 4.379 ( 1.381 -0.852 -3.538) 3.892 4.585 ( 0.169 -0.008 1.859) 1.867 4.590 ( -0.008 0.277 2.039) 2.058 4.715 ( -0.980 0.087 3.211) 3.359 4.723 ( -0.688 -0.179 2.258) 2.367 4.755 ( -1.785 0.362 -2.418) 3.027 4.832 ( -0.398 -0.058 -6.279) 6.292 5.234 ( 0.315 -0.010 2.478) 2.498 5.282 ( 0.263 -0.016 -2.483) 2.497 5.673 ( -0.306 0.005 1.378) 1.412 5.714 ( -1.164 -0.003 -2.910) 3.134 ======================= Grid point 472 (142/172) ======================= q-point: (-0.50 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -2.868 1.631 -4.890) 5.899 1.301 ( -1.572 1.814 -7.406) 7.785 1.916 ( -2.175 -1.533 0.828) 2.787 1.959 ( -0.194 -1.258 -3.840) 4.045 2.201 ( -4.058 -1.165 2.597) 4.957 2.245 ( -4.813 -2.110 -1.573) 5.486 2.417 ( 0.372 1.925 2.033) 2.825 2.475 ( 0.618 2.623 -3.415) 4.350 2.844 ( 0.546 -1.237 2.696) 3.016 2.892 ( 2.085 -2.032 -2.204) 3.652 3.157 ( -2.671 -0.461 2.816) 3.908 3.176 ( -3.304 -0.376 1.583) 3.683 3.271 ( -1.831 -0.542 0.090) 1.912 3.319 ( -0.476 0.307 -3.344) 3.392 3.654 ( 5.232 1.446 1.635) 5.669 3.675 ( 6.042 1.531 -0.309) 6.240 3.962 ( -5.144 3.005 5.539) 8.135 4.055 ( -3.642 1.267 -3.931) 5.507 4.235 ( -3.117 1.054 5.924) 6.776 4.318 ( -6.091 1.511 -2.288) 6.679 4.587 ( -0.158 0.720 2.488) 2.595 4.609 ( 1.425 -0.191 1.781) 2.289 4.680 ( -1.995 -1.767 2.587) 3.714 4.713 ( 0.381 -2.556 1.321) 2.903 4.778 ( 1.536 -1.061 -1.728) 2.544 4.838 ( 0.940 -0.585 -5.548) 5.657 5.224 ( -1.086 0.418 1.001) 1.534 5.244 ( -3.360 0.325 -1.181) 3.577 5.699 ( 2.255 -0.612 1.109) 2.586 5.735 ( 2.485 -1.821 -2.610) 4.038 ======================= Grid point 473 (143/172) ======================= q-point: (-0.42 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -5.612 3.320 -3.169) 7.250 1.235 ( -4.055 3.004 -8.104) 9.547 1.874 ( -3.731 -2.586 2.153) 5.025 1.939 ( -3.859 -2.804 -4.577) 6.611 2.115 ( -3.330 1.487 3.362) 4.960 2.175 ( -2.865 0.955 -2.880) 4.173 2.411 ( -0.636 -0.307 1.247) 1.433 2.456 ( -1.630 0.425 -3.270) 3.679 2.871 ( 0.788 -1.253 3.115) 3.448 2.928 ( -0.068 -1.881 -2.737) 3.322 3.070 ( -5.393 -1.173 3.646) 6.615 3.123 ( -2.673 0.165 -1.108) 2.898 3.259 ( -0.359 -0.103 1.757) 1.796 3.312 ( -0.533 -0.005 -2.926) 2.974 3.705 ( -5.020 2.262 5.619) 7.867 3.751 ( 1.369 1.828 -0.028) 2.284 3.809 ( -2.615 5.037 4.028) 6.959 3.932 ( -6.084 3.328 -7.405) 10.146 4.190 ( -1.266 -1.183 2.963) 3.432 4.223 ( -2.731 -0.864 -0.232) 2.874 4.555 ( -2.463 0.288 3.212) 4.058 4.593 ( -3.384 -0.739 -0.013) 3.463 4.695 ( 2.301 -0.974 3.890) 4.624 4.779 ( 0.792 -1.722 -3.948) 4.379 4.791 ( 3.682 -0.337 4.308) 5.677 4.877 ( 2.946 -0.604 -4.197) 5.164 5.177 ( -2.650 0.505 1.120) 2.921 5.210 ( -0.233 0.293 -2.272) 2.302 5.742 ( 1.242 -1.501 2.012) 2.801 5.793 ( 1.881 -2.220 -3.310) 4.407 ======================= Grid point 474 (144/172) ======================= q-point: (-0.33 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -6.615 4.279 0.064) 7.879 1.131 ( -5.138 2.441 -7.854) 9.698 1.776 ( -6.993 0.428 2.708) 7.511 1.851 ( -5.096 0.486 -4.286) 6.676 2.074 ( -1.406 1.908 1.457) 2.782 2.130 ( -1.467 2.506 -4.036) 4.972 2.387 ( -3.418 -3.498 0.018) 4.891 2.404 ( -4.351 -2.659 -1.648) 5.358 2.857 ( -2.971 0.012 2.366) 3.798 2.898 ( -3.246 -0.878 -1.546) 3.701 2.997 ( -2.381 0.151 5.346) 5.854 3.071 ( -2.780 0.727 -1.828) 3.406 3.231 ( -3.473 1.467 2.291) 4.411 3.265 ( -3.709 2.916 -0.356) 4.732 3.513 ( -8.234 0.969 6.198) 10.351 3.652 ( -8.438 -0.791 -6.435) 10.641 3.826 ( 2.285 2.242 1.678) 3.614 3.882 ( 1.166 4.396 -4.753) 6.579 4.200 ( 0.688 -4.077 2.020) 4.601 4.222 ( 1.002 -3.970 0.019) 4.095 4.494 ( -4.551 -1.189 3.765) 6.025 4.533 ( -2.950 -0.854 0.420) 3.100 4.726 ( 0.144 0.270 0.456) 0.548 4.752 ( -0.923 1.294 -1.587) 2.246 4.918 ( 7.306 0.254 3.511) 8.110 4.965 ( 6.517 0.931 -1.043) 6.665 5.148 ( 0.121 0.887 2.659) 2.806 5.217 ( 1.238 0.900 -4.297) 4.562 5.749 ( -1.526 -1.668 2.703) 3.524 5.813 ( -1.119 -2.180 -4.045) 4.729 ======================= Grid point 475 (145/172) ======================= q-point: (-0.25 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -4.587 2.277 5.042) 7.187 1.036 ( -3.119 2.088 -5.678) 6.806 1.646 ( -5.692 2.014 2.682) 6.607 1.750 ( -4.040 5.251 -6.486) 9.272 1.989 ( -7.504 4.240 0.168) 8.621 2.046 ( -6.949 2.888 -5.141) 9.114 2.302 ( -4.923 -2.046 4.717) 7.119 2.364 ( -1.681 -4.413 -2.343) 5.271 2.780 ( -4.608 -0.911 3.399) 5.797 2.839 ( -3.572 -1.556 -2.333) 4.541 2.961 ( -1.693 1.533 7.337) 7.684 3.017 ( -1.583 0.347 2.615) 3.076 3.127 ( -2.721 5.414 0.206) 6.063 3.196 ( -2.733 1.930 -3.030) 4.514 3.383 ( -6.474 1.143 3.564) 7.479 3.522 ( -6.211 -2.393 -11.051) 12.901 3.858 ( 1.909 -0.211 1.303) 2.321 3.894 ( 1.840 2.206 -2.555) 3.844 4.241 ( 0.440 -5.026 3.093) 5.918 4.276 ( 1.442 -5.769 0.345) 5.957 4.405 ( -5.083 -3.193 3.672) 7.037 4.474 ( -4.433 -1.663 -2.252) 5.243 4.707 ( -0.201 2.251 1.819) 2.901 4.754 ( 1.189 1.799 -2.689) 3.447 5.046 ( 6.032 1.187 4.809) 7.805 5.097 ( 7.998 2.851 0.263) 8.495 5.180 ( 4.066 1.139 2.440) 4.876 5.248 ( 2.995 2.359 -4.297) 5.745 5.699 ( -4.429 -1.226 2.956) 5.464 5.769 ( -4.630 -1.701 -4.429) 6.629 ======================= Grid point 476 (146/172) ======================= q-point: (-0.17 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -0.816 -3.766 9.658) 10.398 1.018 ( 3.624 4.630 -3.069) 6.633 1.516 ( -9.412 0.891 4.502) 10.471 1.657 ( -1.487 6.981 -5.485) 9.002 1.789 ( -8.035 4.785 -1.083) 9.414 1.862 ( -8.675 5.291 -6.692) 12.167 2.256 ( -0.730 1.271 8.285) 8.414 2.378 ( 1.084 -0.979 -4.391) 4.628 2.698 ( -5.167 -5.272 4.499) 8.645 2.787 ( -3.362 -4.665 -4.356) 7.214 2.931 ( -0.179 -0.097 9.402) 9.404 3.033 ( 3.040 2.100 3.252) 4.922 3.088 ( 1.019 5.959 -2.815) 6.669 3.152 ( -1.158 1.331 -5.454) 5.733 3.252 ( -5.946 2.195 5.138) 8.159 3.435 ( -3.837 -1.577 -14.154) 14.749 3.897 ( 1.570 -1.389 1.023) 2.333 3.922 ( 1.622 0.980 -1.706) 2.550 4.210 ( -4.568 -0.996 6.346) 7.882 4.308 ( -2.430 -3.486 -3.007) 5.206 4.366 ( -1.576 -6.829 3.298) 7.746 4.432 ( -0.226 -7.126 -2.187) 7.457 4.701 ( 0.771 4.122 3.294) 5.333 4.766 ( 1.131 3.035 -3.419) 4.710 5.116 ( 2.413 1.490 5.867) 6.516 5.209 ( 4.005 2.188 -3.471) 5.733 5.295 ( 8.599 1.265 2.324) 8.997 5.323 ( 6.833 2.636 -1.044) 7.398 5.598 ( -6.543 -0.344 2.465) 7.000 5.655 ( -8.011 -0.583 -3.586) 8.796 ======================= Grid point 477 (147/172) ======================= q-point: (-0.08 0.08 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.000 -6.325 11.046) 12.729 1.084 ( 0.000 4.939 -8.338) 9.691 1.340 ( 0.000 3.310 18.863) 19.151 1.661 ( 0.000 1.521 -14.908) 14.985 1.665 ( 0.000 2.839 0.450) 2.874 1.738 ( 0.000 7.721 -5.474) 9.464 2.243 ( 0.000 1.783 8.764) 8.943 2.390 ( 0.000 1.148 -5.945) 6.055 2.675 ( -0.000 -6.811 5.413) 8.700 2.773 ( -0.000 -4.105 -4.477) 6.074 2.943 ( -0.000 -1.079 9.316) 9.379 3.054 ( 0.000 3.698 1.063) 3.848 3.091 ( 0.000 5.344 -2.861) 6.061 3.126 ( -0.000 -0.623 -6.061) 6.093 3.177 ( 0.000 1.729 7.552) 7.747 3.404 ( -0.000 -1.009 -15.886) 15.918 3.920 ( -0.000 -1.085 0.486) 1.188 3.934 ( 0.000 0.768 -1.142) 1.376 4.159 ( -0.000 -0.321 6.452) 6.460 4.265 ( -0.000 -0.412 -4.744) 4.762 4.408 ( -0.000 -9.340 5.383) 10.781 4.476 ( -0.000 -6.542 -1.013) 6.620 4.686 ( 0.000 4.568 3.192) 5.573 4.760 ( 0.000 3.890 -4.159) 5.695 5.132 ( 0.000 1.117 5.824) 5.930 5.232 ( 0.000 1.549 -4.802) 5.046 5.437 ( 0.000 0.621 3.217) 3.276 5.476 ( 0.000 0.246 0.089) 0.262 5.479 ( 0.000 0.450 -0.167) 0.480 5.481 ( 0.000 1.189 -1.444) 1.871 ======================= Grid point 480 (148/172) ======================= q-point: ( 0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 7.856 -0.000 -3.835) 8.742 1.183 ( 4.128 -0.000 -10.222) 11.024 1.957 ( 2.847 -0.000 1.447) 3.193 1.982 ( 7.858 -0.000 0.111) 7.858 2.088 ( 2.040 -0.000 -1.855) 2.757 2.112 ( 5.956 -0.000 -2.680) 6.531 2.441 ( -2.024 0.000 -0.182) 2.032 2.444 ( -1.065 0.000 -0.492) 1.173 2.904 ( 0.673 -0.000 3.075) 3.148 2.962 ( 0.632 -0.000 -2.526) 2.604 3.103 ( 2.534 -0.000 3.162) 4.052 3.103 ( 5.507 -0.000 2.806) 6.181 3.266 ( 1.162 -0.000 -0.421) 1.236 3.290 ( 2.494 -0.000 -2.003) 3.199 3.670 ( 9.161 -0.000 9.225) 13.001 3.719 ( -4.503 0.000 0.395) 4.520 3.724 ( -1.294 0.000 0.767) 1.504 3.868 ( 8.896 -0.000 -10.023) 13.402 4.216 ( -1.299 0.000 2.281) 2.625 4.234 ( -0.506 0.000 0.427) 0.663 4.545 ( 1.521 -0.000 3.609) 3.916 4.600 ( 1.533 -0.000 -1.820) 2.380 4.738 ( 0.877 -0.000 3.601) 3.706 4.765 ( -0.060 0.000 3.349) 3.350 4.829 ( -1.570 0.000 -0.877) 1.799 4.880 ( -2.342 0.000 -3.903) 4.552 5.169 ( 2.802 -0.000 1.193) 3.045 5.206 ( 0.242 -0.000 -2.525) 2.537 5.770 ( -1.728 0.000 2.592) 3.115 5.835 ( -2.085 0.000 -4.223) 4.709 ======================= Grid point 481 (149/172) ======================= q-point: ( 0.25 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 5.378 0.015 -6.519) 8.451 1.258 ( 3.456 -0.644 -7.525) 8.305 1.966 ( -0.393 0.814 0.338) 0.966 1.990 ( -2.344 0.304 -2.574) 3.494 2.223 ( 6.253 0.951 0.684) 6.362 2.241 ( 5.815 -1.618 -1.148) 6.144 2.404 ( -0.442 0.515 0.477) 0.829 2.419 ( -1.251 -0.714 -0.974) 1.738 2.889 ( -1.674 0.749 2.413) 3.031 2.926 ( -3.451 0.111 -0.669) 3.517 3.156 ( 2.147 0.015 4.319) 4.823 3.199 ( 4.032 0.330 1.509) 4.318 3.294 ( 0.488 0.264 -2.236) 2.303 3.299 ( 1.626 -0.341 -2.300) 2.838 3.625 ( -4.826 -0.233 1.437) 5.041 3.641 ( -3.693 -0.370 -0.542) 3.751 3.890 ( 8.569 -0.842 6.484) 10.778 3.999 ( 4.318 -0.779 -4.718) 6.443 4.240 ( 3.546 0.374 3.005) 4.664 4.277 ( 4.892 -0.582 -0.593) 4.962 4.567 ( 0.797 -0.248 2.666) 2.793 4.608 ( -0.376 -0.028 -0.957) 1.028 4.735 ( -1.107 0.930 5.097) 5.298 4.746 ( -0.859 -0.132 3.810) 3.908 4.817 ( -1.337 0.600 -2.852) 3.207 4.850 ( -1.164 0.092 -5.650) 5.770 5.216 ( 0.938 -0.042 0.518) 1.072 5.234 ( 3.690 -0.151 -1.373) 3.940 5.717 ( -3.323 0.222 2.261) 4.025 5.775 ( -3.714 0.424 -3.798) 5.329 ======================= Grid point 482 (150/172) ======================= q-point: ( 0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 1.089 0.129 -5.672) 5.777 1.317 ( 1.740 0.432 -7.105) 7.328 1.946 ( -2.078 0.016 -1.299) 2.450 1.957 ( -0.298 0.256 -2.081) 2.118 2.242 ( -2.407 -0.309 2.321) 3.359 2.281 ( -2.315 -2.326 -1.393) 3.566 2.421 ( 1.645 0.618 1.556) 2.347 2.461 ( 4.456 1.226 -2.288) 5.157 2.856 ( -1.408 -0.072 0.535) 1.508 2.861 ( -2.361 -0.073 0.419) 2.399 3.177 ( 0.534 0.671 3.577) 3.678 3.216 ( -1.718 -0.365 0.099) 1.759 3.314 ( 0.077 0.310 -0.748) 0.813 3.322 ( -0.144 -0.108 -1.401) 1.413 3.590 ( 2.360 -0.015 1.192) 2.643 3.604 ( 0.725 0.292 -0.594) 0.982 3.998 ( 2.807 -0.030 4.387) 5.208 4.056 ( 1.521 -1.499 -1.393) 2.550 4.293 ( 1.224 1.600 4.732) 5.143 4.369 ( 2.247 -1.083 -2.596) 3.600 4.585 ( 0.900 0.075 1.934) 2.135 4.593 ( -0.613 0.186 2.074) 2.171 4.716 ( -1.414 0.104 3.884) 4.134 4.721 ( -1.447 -0.182 1.540) 2.121 4.759 ( -3.066 0.351 -2.377) 3.896 4.831 ( -0.673 -0.064 -6.328) 6.364 5.234 ( 0.540 -0.010 2.455) 2.514 5.282 ( 0.461 -0.016 -2.485) 2.527 5.673 ( -0.527 0.005 1.370) 1.468 5.714 ( -2.020 -0.003 -2.904) 3.538 ======================= Grid point 483 (151/172) ======================= q-point: (-0.58 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -2.017 1.415 -4.547) 5.172 1.318 ( -0.975 1.445 -7.042) 7.254 1.904 ( -2.794 -0.859 0.726) 3.012 1.947 ( -1.149 -0.936 -4.041) 4.304 2.189 ( -3.256 -1.068 2.090) 4.013 2.223 ( -4.066 -2.225 -0.704) 4.688 2.437 ( 0.288 1.871 2.177) 2.885 2.498 ( 0.082 1.925 -3.419) 3.924 2.836 ( 0.448 -0.288 1.752) 1.832 2.871 ( 1.548 -2.113 -1.831) 3.195 3.151 ( -4.202 -0.623 2.204) 4.786 3.174 ( -2.305 -0.088 0.886) 2.471 3.268 ( -1.915 -0.123 0.916) 2.126 3.320 ( -0.634 0.011 -2.989) 3.055 3.668 ( 5.387 1.116 1.662) 5.747 3.689 ( 6.764 1.228 -0.276) 6.880 3.990 ( -3.365 2.653 4.628) 6.307 4.059 ( -2.537 -0.348 -2.216) 3.386 4.250 ( -3.962 1.864 5.604) 7.112 4.331 ( -5.830 1.020 -2.262) 6.337 4.593 ( 0.477 0.305 3.004) 3.057 4.606 ( 0.813 -0.355 2.570) 2.718 4.666 ( -1.952 -0.999 1.550) 2.685 4.687 ( -1.209 -2.283 -0.268) 2.598 4.770 ( 1.850 -0.613 -0.969) 2.176 4.833 ( 0.735 -0.448 -5.543) 5.610 5.227 ( -0.983 0.349 1.049) 1.480 5.247 ( -3.342 0.208 -1.009) 3.497 5.695 ( 1.814 -0.189 0.418) 1.871 5.718 ( 2.084 -1.600 -1.927) 3.259 ======================= Grid point 484 (152/172) ======================= q-point: (-0.50 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -5.069 2.839 -2.627) 6.376 1.265 ( -3.514 2.963 -7.327) 8.649 1.853 ( -3.109 -1.639 2.027) 4.057 1.913 ( -3.503 -2.282 -4.399) 6.069 2.126 ( -2.842 0.784 3.190) 4.344 2.176 ( -1.781 -0.666 -2.184) 2.896 2.414 ( -1.995 0.777 0.967) 2.349 2.461 ( -2.943 0.562 -3.478) 4.590 2.861 ( 1.180 -0.550 2.407) 2.736 2.908 ( 0.350 -2.099 -2.329) 3.155 3.061 ( -4.799 -0.721 3.480) 5.972 3.122 ( -2.564 -0.200 -2.233) 3.406 3.258 ( -0.143 -0.136 1.904) 1.915 3.309 ( -0.696 -0.613 -2.664) 2.821 3.727 ( -2.818 2.124 4.463) 5.689 3.769 ( 0.218 1.619 0.011) 1.634 3.862 ( -3.746 5.415 4.137) 7.776 3.962 ( -4.969 2.570 -5.431) 7.796 4.179 ( -2.736 -0.934 3.099) 4.238 4.213 ( -4.824 -1.048 -0.165) 4.940 4.557 ( -2.891 0.115 2.855) 4.065 4.584 ( -3.840 -1.017 0.701) 4.034 4.690 ( 3.464 -0.081 2.917) 4.529 4.757 ( 4.678 -2.311 -1.330) 5.385 4.791 ( 1.382 0.062 1.598) 2.113 4.869 ( 3.142 -0.835 -4.331) 5.415 5.182 ( -2.542 0.478 1.104) 2.813 5.213 ( -0.153 0.318 -2.121) 2.150 5.728 ( 0.952 -1.298 1.719) 2.355 5.772 ( 1.853 -1.912 -2.852) 3.902 ======================= Grid point 485 (153/172) ======================= q-point: (-0.42 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -7.238 2.868 0.228) 7.788 1.163 ( -4.925 4.065 -6.900) 9.402 1.785 ( -4.810 1.309 2.733) 5.685 1.856 ( -2.356 0.411 -3.792) 4.483 2.088 ( -1.381 0.551 2.494) 2.903 2.152 ( -1.040 1.517 -3.952) 4.359 2.353 ( -4.873 -2.935 -0.144) 5.691 2.382 ( -5.671 -1.613 -2.852) 6.550 2.857 ( -2.283 -0.008 1.817) 2.918 2.889 ( -2.830 -1.057 -1.003) 3.183 3.002 ( -1.261 0.877 4.920) 5.154 3.080 ( -2.220 1.092 -2.434) 3.471 3.240 ( -2.082 0.514 2.031) 2.954 3.288 ( -2.121 1.352 -2.127) 3.294 3.529 ( -10.151 2.468 6.952) 12.549 3.650 ( -9.547 0.242 -4.434) 10.529 3.846 ( 0.587 1.753 2.797) 3.352 3.922 ( 0.221 3.507 -5.161) 6.244 4.161 ( -0.401 -3.714 1.481) 4.019 4.182 ( -0.148 -3.898 -0.410) 3.922 4.483 ( -5.237 -1.010 3.665) 6.471 4.524 ( -2.929 -0.756 0.043) 3.025 4.730 ( 0.486 0.578 0.954) 1.217 4.762 ( -0.564 0.667 -1.951) 2.138 4.918 ( 8.268 -0.101 4.025) 9.196 4.972 ( 7.498 0.514 -1.374) 7.640 5.159 ( 0.610 1.130 2.680) 2.972 5.227 ( 1.946 1.028 -4.336) 4.863 5.732 ( -1.496 -1.676 2.535) 3.387 5.791 ( -1.079 -2.138 -3.644) 4.361 ======================= Grid point 486 (154/172) ======================= q-point: (-0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -6.827 1.085 4.898) 8.472 1.067 ( -2.455 3.879 -6.608) 8.046 1.674 ( -5.212 3.822 5.017) 8.182 1.807 ( -1.599 6.188 -7.208) 9.633 2.030 ( -5.573 3.334 0.661) 6.527 2.074 ( -6.601 2.706 -3.211) 7.823 2.279 ( -3.647 -2.492 1.619) 4.704 2.313 ( -1.420 -5.515 -2.177) 6.097 2.778 ( -5.559 0.398 2.834) 6.252 2.830 ( -4.252 -0.423 -2.296) 4.850 2.976 ( -2.497 1.570 7.398) 7.965 3.024 ( -1.165 1.050 2.232) 2.728 3.175 ( -1.782 4.248 -0.106) 4.608 3.222 ( -2.669 3.360 -1.872) 4.682 3.394 ( -5.343 0.812 2.515) 5.961 3.497 ( -6.560 -2.339 -8.388) 10.902 3.847 ( -0.089 -2.210 2.764) 3.541 3.911 ( 0.379 1.084 -3.912) 4.077 4.191 ( 0.871 -4.592 1.274) 4.844 4.219 ( 0.979 -5.401 -0.671) 5.530 4.379 ( -6.219 -2.175 4.352) 7.896 4.457 ( -5.199 -1.528 -2.909) 6.151 4.725 ( 0.407 1.314 2.152) 2.554 4.767 ( 1.202 0.826 -2.059) 2.523 5.061 ( 6.671 1.772 5.143) 8.608 5.121 ( 8.165 1.796 -0.442) 8.372 5.197 ( 4.608 2.367 3.166) 6.071 5.274 ( 3.992 2.789 -4.629) 6.719 5.686 ( -4.120 -1.399 2.729) 5.136 5.750 ( -4.349 -1.986 -4.032) 6.254 ======================= Grid point 487 (155/172) ======================= q-point: (-0.25 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -3.025 -2.331 11.091) 11.730 1.056 ( 3.360 2.885 -8.430) 9.522 1.538 ( -8.058 3.573 7.577) 11.624 1.730 ( -2.615 6.969 -8.845) 11.561 1.850 ( -7.699 7.437 1.539) 10.814 1.927 ( -5.183 7.502 -4.630) 10.227 2.269 ( 0.976 0.973 6.589) 6.732 2.359 ( 3.043 -2.910 -2.902) 5.114 2.654 ( -7.575 -3.340 3.858) 9.133 2.741 ( -5.113 -4.210 -4.965) 8.278 2.927 ( -1.073 -0.716 10.266) 10.347 3.053 ( 3.609 1.592 1.599) 4.256 3.150 ( 0.675 6.267 -2.626) 6.829 3.171 ( -0.775 2.524 -3.092) 4.066 3.279 ( -5.294 3.117 2.949) 6.814 3.416 ( -3.609 -2.173 -11.579) 12.322 3.872 ( 0.763 -4.110 2.711) 4.983 3.927 ( 1.167 -0.164 -3.214) 3.423 4.197 ( -3.331 -1.719 5.276) 6.472 4.255 ( 0.218 -5.984 0.643) 6.023 4.314 ( -2.645 -4.733 -0.990) 5.512 4.365 ( -3.998 -5.265 -3.814) 7.632 4.734 ( 1.150 2.487 3.462) 4.415 4.789 ( 1.349 1.413 -2.277) 3.000 5.138 ( 2.902 2.862 6.179) 7.403 5.231 ( 3.906 1.933 -2.943) 5.259 5.315 ( 8.704 2.703 2.533) 9.460 5.353 ( 6.268 3.320 -1.950) 7.356 5.594 ( -5.947 -0.422 2.232) 6.366 5.648 ( -7.243 -0.882 -3.398) 8.049 ======================= Grid point 488 (156/172) ======================= q-point: (-0.17 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -0.000 -5.091 13.906) 14.809 1.118 ( 0.000 1.395 -14.811) 14.877 1.387 ( 0.000 6.063 17.327) 18.357 1.682 ( 0.000 2.547 -13.592) 13.829 1.725 ( 0.000 9.008 4.402) 10.026 1.832 ( 0.000 10.770 -5.428) 12.061 2.268 ( 0.000 3.207 8.341) 8.936 2.405 ( 0.000 1.836 -5.306) 5.615 2.595 ( -0.000 -8.760 6.095) 10.672 2.717 ( -0.000 -6.745 -6.487) 9.358 2.929 ( -0.000 -1.523 10.010) 10.126 3.106 ( 0.000 6.015 1.942) 6.320 3.118 ( -0.000 -0.959 -4.550) 4.650 3.149 ( 0.000 5.949 -2.655) 6.514 3.201 ( 0.000 3.139 4.377) 5.386 3.390 ( -0.000 -1.802 -13.939) 14.055 3.901 ( -0.000 -3.220 1.906) 3.742 3.941 ( 0.000 0.287 -2.523) 2.539 4.154 ( -0.000 -0.562 6.361) 6.386 4.260 ( -0.000 -0.728 -4.696) 4.752 4.314 ( -0.000 -8.832 3.933) 9.668 4.390 ( -0.000 -9.695 -3.155) 10.195 4.731 ( 0.000 3.782 3.764) 5.336 4.793 ( 0.000 2.490 -2.727) 3.692 5.150 ( 0.000 2.716 6.266) 6.830 5.253 ( 0.000 2.530 -4.369) 5.049 5.446 ( 0.000 1.338 3.037) 3.318 5.480 ( 0.000 0.505 0.200) 0.544 5.485 ( 0.000 0.696 -0.263) 0.744 5.496 ( 0.000 1.806 -2.097) 2.768 ======================= Grid point 493 (157/172) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 1.260 -0.000 -5.592) 5.732 1.319 ( 2.019 -0.000 -7.166) 7.445 1.947 ( -2.259 0.000 -1.316) 2.615 1.958 ( -0.499 0.000 -2.184) 2.240 2.241 ( -3.070 0.000 1.754) 3.535 2.268 ( -2.009 0.000 -0.612) 2.100 2.425 ( 1.978 -0.000 1.666) 2.586 2.467 ( 4.699 -0.000 -2.458) 5.303 2.855 ( -1.601 0.000 0.525) 1.685 2.861 ( -2.733 0.000 0.419) 2.765 3.181 ( 0.669 -0.000 3.189) 3.259 3.213 ( -2.090 0.000 0.174) 2.098 3.317 ( 1.480 -0.000 -0.503) 1.564 3.321 ( -1.538 0.000 -1.295) 2.011 3.590 ( 2.632 -0.000 1.332) 2.950 3.605 ( 0.941 -0.000 -0.743) 1.199 3.998 ( 3.425 -0.000 4.148) 5.379 4.047 ( 1.505 -0.000 -0.868) 1.737 4.302 ( 1.531 -0.000 3.771) 4.070 4.362 ( 2.504 -0.000 -2.002) 3.205 4.586 ( 1.368 -0.000 1.924) 2.361 4.594 ( -1.035 0.000 2.141) 2.379 4.717 ( -1.227 0.000 4.850) 5.002 4.720 ( -2.056 0.000 0.565) 2.133 4.761 ( -3.530 0.000 -2.365) 4.249 4.831 ( -0.767 0.000 -6.356) 6.402 5.234 ( 0.621 -0.000 2.443) 2.521 5.282 ( 0.536 -0.000 -2.486) 2.543 5.673 ( -0.607 0.000 1.365) 1.494 5.714 ( -2.335 0.000 -2.902) 3.724 ======================= Grid point 494 (158/172) ======================= q-point: (-0.67 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -1.489 0.567 -4.370) 4.651 1.328 ( -0.705 0.557 -6.789) 6.848 1.898 ( -3.096 -0.240 0.550) 3.154 1.941 ( -1.726 -0.371 -4.062) 4.429 2.182 ( -2.576 -0.359 1.489) 2.997 2.206 ( -3.897 -1.003 0.047) 4.024 2.451 ( 0.360 0.783 2.203) 2.366 2.511 ( -0.258 0.672 -3.159) 3.240 2.839 ( 0.634 0.843 0.393) 1.126 2.852 ( 1.027 -1.723 -0.930) 2.211 3.146 ( -4.742 -0.247 2.033) 5.165 3.173 ( -2.166 -0.040 0.276) 2.184 3.268 ( -2.019 0.016 1.319) 2.412 3.320 ( -0.708 -0.037 -2.692) 2.784 3.675 ( 5.446 0.419 1.686) 5.716 3.698 ( 7.144 0.473 -0.270) 7.164 4.012 ( -2.003 1.552 3.508) 4.327 4.051 ( -1.962 -0.890 -0.272) 2.171 4.266 ( -4.736 0.993 4.917) 6.898 4.337 ( -5.304 0.314 -2.052) 5.695 4.594 ( 1.239 -0.021 4.011) 4.198 4.603 ( -0.174 -0.106 2.095) 2.105 4.658 ( -1.480 -0.630 2.047) 2.604 4.673 ( -2.534 -0.587 -1.998) 3.280 4.765 ( 1.979 -0.212 -0.650) 2.094 4.829 ( 0.606 -0.168 -5.536) 5.571 5.230 ( -0.891 0.136 1.058) 1.389 5.248 ( -3.349 0.071 -0.890) 3.466 5.696 ( 1.351 0.403 -0.352) 1.453 5.704 ( 2.061 -1.060 -1.170) 2.596 ======================= Grid point 495 (159/172) ======================= q-point: (-0.58 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -5.032 1.609 -2.063) 5.671 1.290 ( -2.774 1.898 -6.968) 7.737 1.842 ( -2.600 -0.697 1.913) 3.302 1.895 ( -3.297 -1.336 -4.036) 5.380 2.133 ( -2.715 0.595 2.576) 3.790 2.165 ( -1.014 -1.321 -1.421) 2.189 2.424 ( -2.779 1.021 0.414) 2.990 2.466 ( -3.801 0.301 -3.069) 4.895 2.861 ( 1.264 0.453 1.203) 1.803 2.888 ( 0.752 -2.005 -1.474) 2.600 3.056 ( -4.241 -0.286 3.194) 5.316 3.120 ( -2.313 -0.236 -2.760) 3.608 3.257 ( -0.109 -0.096 1.755) 1.761 3.302 ( -1.171 -0.559 -2.321) 2.659 3.744 ( -0.807 1.233 3.656) 3.942 3.782 ( -0.796 0.941 0.061) 1.234 3.912 ( -4.542 4.355 3.398) 7.151 3.979 ( -3.759 0.654 -2.923) 4.807 4.172 ( -4.030 -0.438 2.947) 5.011 4.203 ( -6.778 -0.856 0.060) 6.832 4.559 ( -3.070 0.347 2.272) 3.835 4.574 ( -3.850 -1.052 1.091) 4.138 4.693 ( 4.168 0.534 1.853) 4.593 4.736 ( 6.098 -1.801 0.103) 6.359 4.792 ( 1.080 0.025 0.551) 1.212 4.861 ( 3.164 -0.629 -4.381) 5.441 5.186 ( -2.438 0.293 1.109) 2.694 5.216 ( -0.068 0.215 -2.007) 2.020 5.717 ( 0.703 -0.750 1.504) 1.822 5.757 ( 1.882 -1.098 -2.519) 3.331 ======================= Grid point 496 (160/172) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -8.148 1.390 1.526) 8.405 1.205 ( -4.476 3.854 -7.692) 9.698 1.802 ( -2.385 2.086 2.829) 4.247 1.858 ( -0.014 -0.172 -2.186) 2.193 2.086 ( -2.420 -0.676 3.048) 3.950 2.157 ( -0.620 -0.416 -4.397) 4.460 2.335 ( -6.381 -0.699 -0.482) 6.437 2.371 ( -6.113 -0.614 -3.545) 7.093 2.857 ( -1.746 0.016 1.197) 2.117 2.878 ( -2.284 -0.967 -0.593) 2.550 3.012 ( -0.348 0.989 4.585) 4.704 3.092 ( -1.471 1.091 -2.653) 3.224 3.245 ( -1.166 0.511 1.180) 1.736 3.290 ( -0.654 -0.944 -2.918) 3.136 3.562 ( -11.794 4.001 6.710) 14.147 3.652 ( -10.329 -0.206 -2.027) 10.528 3.859 ( -1.988 0.733 3.805) 4.356 3.950 ( -1.003 2.105 -5.206) 5.704 4.130 ( -0.695 -2.386 0.770) 2.602 4.148 ( -0.389 -2.786 -0.891) 2.951 4.474 ( -5.583 -0.716 3.563) 6.662 4.518 ( -2.949 -0.392 -0.221) 2.983 4.738 ( 0.586 0.898 0.847) 1.366 4.765 ( -0.629 -0.133 -1.836) 1.945 4.916 ( 9.258 -0.246 4.360) 10.236 4.975 ( 8.229 0.049 -1.635) 8.390 5.169 ( 1.194 0.995 2.662) 3.083 5.236 ( 2.572 0.829 -4.297) 5.076 5.717 ( -1.462 -1.236 2.412) 3.079 5.772 ( -1.059 -1.535 -3.322) 3.810 ======================= Grid point 497 (161/172) ======================= q-point: (-0.42 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -7.944 0.375 5.859) 9.878 1.106 ( -3.154 3.788 -8.920) 10.192 1.722 ( -3.966 5.833 7.198) 10.078 1.869 ( 0.839 5.969 -6.546) 8.899 2.035 ( -3.967 -2.524 3.331) 5.762 2.104 ( -6.155 2.973 -3.409) 7.638 2.247 ( -1.926 -4.628 -1.195) 5.153 2.273 ( -2.848 -1.211 -3.189) 4.443 2.786 ( -5.547 1.277 2.260) 6.124 2.828 ( -3.960 -0.088 -1.911) 4.398 2.993 ( -3.483 1.832 6.592) 7.678 3.036 ( -1.234 1.108 1.706) 2.379 3.213 ( -0.610 3.604 0.288) 3.667 3.258 ( -2.098 3.502 -2.136) 4.608 3.397 ( -4.409 -0.266 2.610) 5.130 3.478 ( -7.482 -1.487 -5.300) 9.289 3.814 ( -2.831 -4.170 4.351) 6.659 3.912 ( -1.671 -0.912 -5.473) 5.795 4.154 ( 1.192 -2.880 -0.043) 3.118 4.177 ( 1.208 -2.724 -1.939) 3.555 4.361 ( -6.731 -1.359 4.681) 8.310 4.444 ( -5.605 -1.116 -3.150) 6.526 4.735 ( 0.499 0.714 2.261) 2.422 4.771 ( 1.043 -0.007 -1.480) 1.811 5.078 ( 7.529 1.561 5.025) 9.185 5.133 ( 7.789 0.616 -0.152) 7.815 5.224 ( 5.613 2.719 3.114) 6.971 5.301 ( 4.951 2.543 -4.829) 7.369 5.673 ( -3.795 -1.198 2.466) 4.682 5.731 ( -4.133 -1.763 -3.616) 5.768 ======================= Grid point 498 (162/172) ======================= q-point: (-0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -4.121 -0.955 11.351) 12.114 1.075 ( 1.354 0.968 -12.019) 12.134 1.587 ( -6.984 6.266 9.973) 13.693 1.788 ( -5.276 4.496 -9.607) 11.846 1.933 ( -4.778 8.874 2.939) 10.499 2.000 ( -1.029 6.603 -3.041) 7.342 2.271 ( 3.048 -1.004 3.658) 4.866 2.324 ( 4.720 -3.509 -1.914) 6.185 2.634 ( -9.735 -0.620 3.145) 10.249 2.709 ( -7.651 -1.997 -4.686) 9.192 2.921 ( -1.556 -0.131 10.653) 10.766 3.061 ( 2.695 -0.137 -0.419) 2.731 3.201 ( -0.074 3.376 -0.751) 3.460 3.210 ( 0.581 5.797 -2.527) 6.350 3.311 ( -4.217 3.243 1.230) 5.460 3.395 ( -3.048 -1.837 -8.004) 8.759 3.813 ( -0.502 -7.548 4.747) 8.931 3.912 ( 0.363 -3.061 -5.215) 6.058 4.178 ( -1.409 -1.800 2.921) 3.709 4.207 ( 0.496 -3.640 -0.302) 3.686 4.267 ( -2.881 -3.877 -0.255) 4.836 4.332 ( -6.236 -2.023 -4.396) 7.893 4.751 ( 1.228 0.964 3.459) 3.795 4.796 ( 1.306 0.116 -1.430) 1.940 5.170 ( 3.511 3.246 5.932) 7.619 5.245 ( 4.360 0.939 -1.173) 4.611 5.345 ( 8.093 3.088 2.040) 8.899 5.388 ( 5.809 3.604 -2.866) 7.413 5.590 ( -5.209 -0.327 1.830) 5.531 5.638 ( -6.403 -1.072 -3.106) 7.197 ======================= Grid point 499 (163/172) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -0.000 -2.739 14.736) 14.988 1.114 ( -0.000 -1.816 -17.085) 17.181 1.457 ( 0.000 7.847 14.970) 16.902 1.709 ( 0.000 2.576 -11.271) 11.562 1.833 ( 0.000 11.864 5.301) 12.994 1.945 ( 0.000 11.643 -5.304) 12.794 2.305 ( 0.000 4.031 7.952) 8.915 2.424 ( 0.000 1.950 -4.127) 4.565 2.508 ( -0.000 -8.469 6.464) 10.654 2.647 ( -0.000 -7.114 -7.908) 10.637 2.916 ( -0.000 -1.049 10.488) 10.540 3.105 ( -0.000 -1.720 -4.139) 4.483 3.166 ( 0.000 5.776 1.986) 6.108 3.205 ( 0.000 5.166 -2.184) 5.608 3.239 ( 0.000 4.614 1.750) 4.935 3.372 ( -0.000 -1.605 -10.597) 10.718 3.850 ( -0.000 -7.110 4.235) 8.276 3.934 ( -0.000 -2.093 -4.402) 4.874 4.148 ( -0.000 -0.659 6.227) 6.262 4.243 ( -0.000 -5.214 0.958) 5.301 4.251 ( -0.000 -0.865 -4.626) 4.706 4.297 ( -0.000 -8.327 -3.788) 9.148 4.758 ( 0.000 1.689 3.752) 4.115 4.808 ( 0.000 0.608 -1.678) 1.785 5.184 ( 0.000 3.830 6.341) 7.408 5.278 ( 0.000 2.249 -3.013) 3.760 5.463 ( 0.000 2.090 2.255) 3.075 5.486 ( 0.000 0.614 0.300) 0.683 5.492 ( 0.000 0.767 -0.341) 0.840 5.515 ( 0.000 1.819 -2.766) 3.311 ======================= Grid point 506 (164/172) ======================= q-point: (-0.67 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -5.096 0.000 -1.815) 5.409 1.300 ( -2.427 0.000 -6.892) 7.307 1.839 ( -2.403 0.000 1.872) 3.046 1.888 ( -3.230 0.000 -3.852) 5.027 2.137 ( -3.058 0.000 2.268) 3.807 2.157 ( -0.431 0.000 -1.123) 1.203 2.430 ( -2.981 0.000 0.074) 2.982 2.467 ( -4.105 0.000 -2.712) 4.920 2.870 ( 0.754 -0.000 -0.334) 0.825 2.871 ( 1.417 -0.000 -0.108) 1.421 3.055 ( -4.016 0.000 3.053) 5.045 3.119 ( -2.183 0.000 -2.892) 3.624 3.256 ( -0.105 0.000 1.647) 1.650 3.299 ( -1.425 0.000 -2.163) 2.590 3.751 ( 0.002 -0.000 3.370) 3.370 3.786 ( -1.197 0.000 0.075) 1.199 3.937 ( -5.263 0.000 2.521) 5.835 3.979 ( -2.743 0.000 -1.235) 3.008 4.170 ( -4.489 0.000 2.732) 5.254 4.199 ( -7.713 0.000 0.201) 7.716 4.564 ( -2.455 0.000 1.567) 2.912 4.565 ( -4.425 0.000 1.601) 4.706 4.697 ( 4.368 -0.000 1.106) 4.506 4.725 ( 6.548 -0.000 0.939) 6.615 4.792 ( 1.064 -0.000 0.243) 1.091 4.858 ( 3.136 -0.000 -4.386) 5.392 5.188 ( -2.393 0.000 1.114) 2.639 5.217 ( -0.033 0.000 -1.966) 1.966 5.713 ( 0.601 -0.000 1.426) 1.547 5.751 ( 1.906 -0.000 -2.398) 3.063 ======================= Grid point 508 (165/172) ======================= q-point: (-0.58 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -8.661 0.425 2.570) 9.045 1.233 ( -4.294 1.536 -8.693) 9.817 1.824 ( 0.403 1.998 2.571) 3.280 1.850 ( 0.258 -1.156 -0.065) 1.186 2.080 ( -3.367 -0.381 2.903) 4.462 2.149 ( -1.004 -0.701 -4.905) 5.056 2.335 ( -6.817 0.262 -1.046) 6.902 2.368 ( -6.127 -0.186 -3.432) 7.026 2.858 ( -1.571 0.063 0.633) 1.695 2.871 ( -1.804 -0.450 -0.285) 1.881 3.020 ( 0.183 0.424 4.483) 4.507 3.100 ( -0.959 0.478 -2.601) 2.813 3.251 ( -0.058 0.783 -0.363) 0.865 3.276 ( -0.775 -1.311 -2.146) 2.631 3.602 ( -12.254 3.309 4.954) 13.625 3.643 ( -10.818 -1.557 0.907) 10.967 3.862 ( -4.109 0.095 4.308) 5.954 3.964 ( -2.048 0.693 -5.263) 5.690 4.114 ( -0.888 -0.788 0.378) 1.246 4.129 ( 0.362 -0.994 -1.347) 1.713 4.469 ( -5.703 -0.269 3.533) 6.714 4.516 ( -2.983 -0.091 -0.353) 3.005 4.747 ( 0.796 0.869 0.245) 1.204 4.761 ( -1.007 -0.619 -1.233) 1.708 4.914 ( 9.893 -0.111 4.435) 10.842 4.975 ( 8.613 -0.062 -1.752) 8.790 5.177 ( 1.594 0.400 2.630) 3.101 5.242 ( 2.935 0.318 -4.243) 5.169 5.708 ( -1.437 -0.456 2.353) 2.794 5.762 ( -1.057 -0.555 -3.150) 3.368 ======================= Grid point 509 (166/172) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -8.343 0.142 6.818) 10.775 1.137 ( -4.244 2.174 -10.906) 11.903 1.789 ( -2.224 7.445 8.267) 11.345 1.910 ( 3.025 0.391 -0.808) 3.155 2.003 ( -4.589 -1.856 1.864) 5.289 2.117 ( -3.608 -1.009 -7.167) 8.087 2.210 ( -4.102 -1.875 0.138) 4.512 2.273 ( -2.490 0.484 -4.795) 5.424 2.800 ( -5.094 1.403 1.559) 5.509 2.825 ( -3.458 -0.520 -1.003) 3.638 3.012 ( -2.839 1.810 4.696) 5.778 3.043 ( -2.646 0.332 1.597) 3.108 3.248 ( 0.496 3.140 0.062) 3.180 3.285 ( 0.160 1.645 -3.164) 3.569 3.392 ( -6.091 -0.367 4.604) 7.644 3.466 ( -7.668 -1.116 -2.403) 8.113 3.774 ( -5.110 -3.258 4.896) 7.791 3.898 ( -3.791 -1.622 -7.124) 8.231 4.133 ( 1.391 -1.351 -0.056) 1.940 4.163 ( 1.767 -0.527 -3.115) 3.620 4.351 ( -6.864 -0.636 4.708) 8.348 4.436 ( -5.891 -0.584 -3.211) 6.735 4.740 ( 0.299 0.411 2.137) 2.197 4.769 ( 1.022 -0.301 -0.904) 1.398 5.091 ( 8.236 0.896 4.708) 9.529 5.136 ( 7.507 0.083 0.316) 7.514 5.247 ( 6.269 1.717 2.905) 7.120 5.322 ( 5.691 1.532 -4.901) 7.665 5.663 ( -3.540 -0.686 2.240) 4.245 5.717 ( -4.041 -1.050 -3.287) 5.314 ======================= Grid point 510 (167/172) ======================= q-point: (-0.42 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -4.404 -0.094 10.809) 11.672 1.078 ( -0.949 -0.098 -13.195) 13.229 1.658 ( -6.511 7.657 9.860) 14.080 1.815 ( -7.586 0.688 -5.494) 9.392 2.019 ( -1.797 8.174 1.522) 8.506 2.050 ( 3.367 3.320 -1.383) 4.926 2.240 ( 4.004 -4.932 1.651) 6.564 2.305 ( 5.812 -0.273 -4.178) 7.163 2.636 ( -11.288 0.668 3.118) 11.730 2.700 ( -9.487 -0.089 -3.858) 10.242 2.929 ( -1.766 2.028 9.377) 9.755 3.048 ( 1.022 -2.573 -1.196) 3.016 3.235 ( 0.211 3.244 1.287) 3.497 3.264 ( 0.234 4.808 -1.926) 5.185 3.338 ( -2.511 1.597 0.665) 3.050 3.384 ( -1.630 0.138 -4.926) 5.190 3.732 ( -1.995 -7.937 5.496) 9.858 3.869 ( -0.925 -5.213 -7.612) 9.272 4.163 ( 0.301 -1.210 0.847) 1.508 4.182 ( -0.307 -1.431 -0.276) 1.489 4.243 ( -3.528 -1.093 0.137) 3.696 4.317 ( -6.354 -1.121 -4.397) 7.807 4.756 ( 1.147 0.251 3.436) 3.631 4.794 ( 1.221 -0.332 -0.815) 1.506 5.199 ( 4.155 2.594 5.232) 7.167 5.250 ( 4.650 0.059 0.477) 4.675 5.372 ( 7.387 2.309 1.878) 7.964 5.422 ( 5.548 2.918 -3.559) 7.209 5.588 ( -4.439 -0.081 1.245) 4.611 5.627 ( -5.786 -1.058 -2.687) 6.467 ======================= Grid point 511 (168/172) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 277 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -0.000 -0.707 13.679) 13.697 1.089 ( -0.000 -2.843 -16.142) 16.390 1.539 ( 0.000 8.378 11.917) 14.567 1.728 ( 0.000 1.171 -7.744) 7.832 1.948 ( 0.000 10.873 4.276) 11.684 2.052 ( 0.000 9.122 -5.420) 10.611 2.347 ( 0.000 4.218 7.394) 8.513 2.432 ( -0.000 -6.659 6.311) 9.174 2.443 ( 0.000 1.658 -2.635) 3.113 2.580 ( -0.000 -6.038 -9.014) 10.849 2.912 ( 0.000 0.619 9.975) 9.994 3.080 ( -0.000 -3.432 -3.800) 5.120 3.217 ( 0.000 4.389 1.765) 4.730 3.249 ( 0.000 3.716 -1.687) 4.081 3.290 ( 0.000 5.220 0.385) 5.234 3.365 ( 0.000 0.694 -6.552) 6.589 3.764 ( -0.000 -9.698 5.803) 11.302 3.895 ( -0.000 -5.690 -6.856) 8.910 4.142 ( -0.000 -0.579 6.082) 6.110 4.205 ( -0.000 -2.989 -1.034) 3.163 4.238 ( -0.000 -3.229 -4.239) 5.328 4.243 ( -0.000 -0.773 -4.550) 4.615 4.767 ( 0.000 0.432 3.708) 3.733 4.809 ( -0.000 -0.299 -0.925) 0.972 5.222 ( 0.000 3.713 5.882) 6.956 5.295 ( 0.000 0.978 -0.950) 1.363 5.486 ( 0.000 2.431 1.003) 2.630 5.492 ( 0.000 0.542 0.377) 0.660 5.499 ( 0.000 0.648 -0.398) 0.761 5.531 ( 0.000 1.356 -3.222) 3.495 ======================= Grid point 520 (169/172) ======================= q-point: (-0.58 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -8.438 0.000 7.184) 11.082 1.148 ( -4.724 0.000 -11.630) 12.553 1.862 ( -0.284 0.000 8.664) 8.668 1.869 ( 0.385 -0.000 5.595) 5.608 2.007 ( -2.215 0.000 -2.099) 3.051 2.102 ( -2.619 0.000 -9.988) 10.326 2.205 ( -5.668 0.000 0.901) 5.739 2.276 ( -2.185 0.000 -5.056) 5.508 2.810 ( -5.131 0.000 1.033) 5.234 2.820 ( -3.013 0.000 -0.302) 3.028 3.023 ( -1.044 0.000 3.276) 3.438 3.044 ( -4.627 0.000 1.961) 5.026 3.267 ( 0.372 -0.000 -0.495) 0.619 3.290 ( 2.938 -0.000 -3.544) 4.604 3.391 ( -8.585 0.000 6.002) 10.475 3.459 ( -7.191 0.000 -1.027) 7.264 3.757 ( -5.968 0.000 4.782) 7.647 3.888 ( -4.718 0.000 -7.876) 9.181 4.126 ( 1.518 -0.000 0.052) 1.519 4.161 ( 1.936 -0.000 -3.477) 3.980 4.348 ( -6.869 0.000 4.667) 8.304 4.433 ( -6.009 0.000 -3.214) 6.814 4.743 ( 0.131 -0.000 2.020) 2.024 4.767 ( 1.093 -0.000 -0.625) 1.259 5.095 ( 8.520 -0.000 4.543) 9.656 5.136 ( 7.404 -0.000 0.506) 7.421 5.256 ( 6.476 -0.000 2.831) 7.068 5.330 ( 5.974 -0.000 -4.914) 7.736 5.660 ( -3.440 0.000 2.147) 4.056 5.711 ( -4.029 0.000 -3.157) 5.118 ======================= Grid point 522 (170/172) ======================= q-point: (-0.50 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -4.334 0.079 10.206) 11.089 1.076 ( -2.392 -0.172 -13.178) 13.395 1.732 ( -7.152 6.440 7.464) 12.179 1.799 ( -7.572 -3.391 0.708) 8.327 2.067 ( 3.110 0.925 -0.912) 3.370 2.094 ( 2.363 5.746 -2.051) 6.543 2.186 ( 4.508 -4.996 3.310) 7.499 2.308 ( 6.018 0.330 -7.222) 9.407 2.643 ( -12.314 0.432 3.464) 12.799 2.701 ( -9.785 0.163 -3.088) 10.262 2.963 ( -1.625 4.499 5.440) 7.244 3.011 ( -0.677 -4.654 0.851) 4.779 3.260 ( -0.206 1.580 2.988) 3.387 3.302 ( -0.908 2.662 -1.447) 3.162 3.338 ( -0.162 -1.018 2.270) 2.493 3.396 ( 0.455 1.323 -4.528) 4.739 3.671 ( -3.368 -3.559 5.094) 7.068 3.825 ( -2.190 -2.799 -9.436) 10.083 4.155 ( 1.288 -0.326 -0.186) 1.341 4.174 ( -1.511 -0.375 1.042) 1.873 4.239 ( -3.159 -0.081 -0.816) 3.264 4.309 ( -6.327 -0.402 -4.285) 7.652 4.757 ( 1.053 0.037 3.416) 3.575 4.791 ( 1.184 -0.181 -0.477) 1.289 5.219 ( 4.707 1.186 4.511) 6.627 5.248 ( 4.582 -0.300 1.530) 4.840 5.389 ( 6.959 0.855 1.941) 7.276 5.442 ( 5.439 1.128 -3.867) 6.768 5.589 ( -3.772 0.077 0.647) 3.828 5.618 ( -5.631 -0.532 -2.239) 6.083 ======================= Grid point 523 (171/172) ======================= q-point: (-0.42 0.42 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 276 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 0.000 0.217 11.875) 11.877 1.063 ( -0.000 -2.037 -14.333) 14.477 1.618 ( 0.000 7.265 8.211) 10.963 1.727 ( -0.000 -1.506 -3.100) 3.446 2.041 ( 0.000 7.358 2.519) 7.777 2.116 ( 0.000 3.554 -4.216) 5.514 2.380 ( -0.000 -3.604 5.677) 6.724 2.384 ( 0.000 2.993 6.030) 6.732 2.457 ( 0.000 1.155 -1.448) 1.852 2.531 ( -0.000 -3.601 -9.804) 10.444 2.932 ( 0.000 3.405 7.482) 8.220 3.036 ( -0.000 -5.384 -1.616) 5.622 3.251 ( 0.000 2.374 1.524) 2.821 3.278 ( 0.000 1.915 -1.294) 2.311 3.332 ( 0.000 2.969 2.313) 3.764 3.391 ( 0.000 3.937 -4.844) 6.242 3.672 ( -0.000 -7.824 5.560) 9.598 3.831 ( -0.000 -6.020 -9.279) 11.061 4.137 ( -0.000 -0.338 5.967) 5.977 4.182 ( -0.000 -1.459 -0.672) 1.606 4.225 ( -0.000 -0.197 -5.520) 5.524 4.237 ( -0.000 -0.458 -4.490) 4.513 4.769 ( 0.000 0.012 3.703) 3.703 4.805 ( -0.000 -0.353 -0.462) 0.582 5.255 ( 0.000 2.648 5.079) 5.728 5.298 ( -0.000 -0.264 0.971) 1.006 5.496 ( 0.000 0.315 0.426) 0.530 5.504 ( 0.000 0.369 -0.432) 0.568 5.508 ( 0.000 1.767 -0.007) 1.767 5.541 ( 0.000 0.596 -3.435) 3.487 ======================= Grid point 535 (172/172) ======================= q-point: ( 0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 0.000 10.978) 10.978 1.052 ( 0.000 0.000 -13.460) 13.460 1.667 ( 0.000 0.000 5.211) 5.211 1.708 ( -0.000 -0.000 0.445) 0.445 2.082 ( -0.000 -0.000 1.036) 1.036 2.129 ( 0.000 0.000 -2.537) 2.537 2.362 ( -0.000 -0.000 5.269) 5.269 2.400 ( -0.000 -0.000 5.147) 5.147 2.463 ( 0.000 0.000 -1.074) 1.074 2.513 ( 0.000 0.000 -10.107) 10.107 2.974 ( -0.000 -0.000 2.845) 2.845 2.984 ( 0.000 0.000 2.961) 2.961 3.263 ( -0.000 -0.000 1.416) 1.416 3.287 ( 0.000 0.000 -1.136) 1.136 3.348 ( 0.000 0.000 4.455) 4.455 3.417 ( 0.000 0.000 -5.044) 5.044 3.629 ( 0.000 0.000 5.047) 5.047 3.797 ( -0.000 -0.000 -10.470) 10.470 4.136 ( 0.000 0.000 5.923) 5.923 4.175 ( 0.000 0.000 -0.399) 0.399 4.224 ( 0.000 0.000 -6.030) 6.030 4.235 ( 0.000 0.000 -4.466) 4.466 4.769 ( 0.000 0.000 3.709) 3.709 4.803 ( 0.000 0.000 -0.306) 0.306 5.270 ( -0.000 -0.000 4.543) 4.543 5.294 ( 0.000 0.000 1.873) 1.873 5.498 ( 0.000 0.000 0.443) 0.443 5.506 ( 0.000 0.000 -0.443) 0.443 5.518 ( 0.000 0.000 -0.331) 0.331 5.543 ( -0.000 -0.000 -3.522) 3.522 =================== 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 3/30240 10.0 663.385 1353.191 390.560 0.000 0.000 -0.000 3/30240 20.0 128.243 136.652 75.502 0.000 0.000 -0.000 3/30240 30.0 48.253 42.125 30.132 0.000 0.000 -0.000 3/30240 40.0 25.928 20.863 16.800 0.000 0.000 -0.000 3/30240 50.0 17.018 13.094 11.283 0.000 0.000 -0.000 3/30240 60.0 12.560 9.389 8.456 0.000 0.000 -0.000 3/30240 70.0 9.962 7.298 6.779 0.000 0.000 -0.000 3/30240 80.0 8.278 5.975 5.677 0.000 0.000 -0.000 3/30240 90.0 7.101 5.069 4.897 0.000 0.000 -0.000 3/30240 100.0 6.230 4.409 4.315 0.000 0.000 -0.000 3/30240 110.0 5.559 3.907 3.863 0.000 0.000 -0.000 3/30240 120.0 5.024 3.512 3.501 0.000 0.000 -0.000 3/30240 130.0 4.588 3.193 3.203 0.000 0.000 -0.000 3/30240 140.0 4.224 2.929 2.954 0.000 0.000 -0.000 3/30240 150.0 3.915 2.707 2.742 0.000 0.000 -0.000 3/30240 160.0 3.650 2.518 2.559 0.000 0.000 -0.000 3/30240 170.0 3.420 2.354 2.400 0.000 0.000 -0.000 3/30240 180.0 3.218 2.211 2.260 0.000 0.000 -0.000 3/30240 190.0 3.039 2.084 2.136 0.000 0.000 -0.000 3/30240 200.0 2.879 1.972 2.025 0.000 0.000 -0.000 3/30240 210.0 2.736 1.872 1.925 0.000 0.000 -0.000 3/30240 220.0 2.606 1.781 1.835 0.000 0.000 -0.000 3/30240 230.0 2.489 1.700 1.753 0.000 0.000 -0.000 3/30240 240.0 2.382 1.625 1.678 0.000 0.000 -0.000 3/30240 250.0 2.284 1.557 1.609 0.000 0.000 -0.000 3/30240 260.0 2.193 1.494 1.546 0.000 0.000 -0.000 3/30240 270.0 2.110 1.437 1.487 0.000 0.000 -0.000 3/30240 280.0 2.033 1.383 1.433 0.000 0.000 -0.000 3/30240 290.0 1.961 1.334 1.383 0.000 0.000 -0.000 3/30240 300.0 1.894 1.288 1.336 0.000 0.000 -0.000 3/30240 310.0 1.832 1.245 1.292 0.000 0.000 -0.000 3/30240 320.0 1.774 1.205 1.251 0.000 0.000 -0.000 3/30240 330.0 1.719 1.168 1.213 0.000 0.000 -0.000 3/30240 340.0 1.668 1.132 1.177 0.000 0.000 -0.000 3/30240 350.0 1.619 1.099 1.143 0.000 0.000 -0.000 3/30240 360.0 1.574 1.068 1.111 0.000 0.000 -0.000 3/30240 370.0 1.531 1.039 1.081 0.000 0.000 -0.000 3/30240 380.0 1.490 1.011 1.052 0.000 0.000 -0.000 3/30240 390.0 1.451 0.984 1.025 0.000 0.000 -0.000 3/30240 400.0 1.415 0.959 0.999 0.000 0.000 -0.000 3/30240 410.0 1.380 0.935 0.974 0.000 0.000 -0.000 3/30240 420.0 1.347 0.913 0.951 0.000 0.000 -0.000 3/30240 430.0 1.315 0.891 0.929 0.000 0.000 -0.000 3/30240 440.0 1.285 0.871 0.907 0.000 0.000 -0.000 3/30240 450.0 1.256 0.851 0.887 0.000 0.000 -0.000 3/30240 460.0 1.229 0.832 0.868 0.000 0.000 -0.000 3/30240 470.0 1.202 0.814 0.849 0.000 0.000 -0.000 3/30240 480.0 1.177 0.797 0.831 0.000 0.000 -0.000 3/30240 490.0 1.153 0.781 0.814 0.000 0.000 -0.000 3/30240 500.0 1.130 0.765 0.798 0.000 0.000 -0.000 3/30240 510.0 1.107 0.750 0.782 0.000 0.000 -0.000 3/30240 520.0 1.086 0.735 0.767 0.000 0.000 -0.000 3/30240 530.0 1.065 0.721 0.753 0.000 0.000 -0.000 3/30240 540.0 1.045 0.708 0.739 0.000 0.000 -0.000 3/30240 550.0 1.026 0.695 0.725 0.000 0.000 -0.000 3/30240 560.0 1.008 0.682 0.712 0.000 0.000 -0.000 3/30240 570.0 0.990 0.670 0.700 0.000 0.000 -0.000 3/30240 580.0 0.973 0.659 0.687 0.000 0.000 -0.000 3/30240 590.0 0.956 0.647 0.676 0.000 0.000 -0.000 3/30240 600.0 0.940 0.636 0.665 0.000 0.000 -0.000 3/30240 610.0 0.925 0.626 0.654 0.000 0.000 -0.000 3/30240 620.0 0.910 0.616 0.643 0.000 0.000 -0.000 3/30240 630.0 0.896 0.606 0.633 0.000 0.000 -0.000 3/30240 640.0 0.881 0.596 0.623 0.000 0.000 -0.000 3/30240 650.0 0.868 0.587 0.613 0.000 0.000 -0.000 3/30240 660.0 0.855 0.578 0.604 0.000 0.000 -0.000 3/30240 670.0 0.842 0.570 0.595 0.000 0.000 -0.000 3/30240 680.0 0.829 0.561 0.586 0.000 0.000 -0.000 3/30240 690.0 0.817 0.553 0.578 0.000 0.000 -0.000 3/30240 700.0 0.806 0.545 0.569 0.000 0.000 -0.000 3/30240 710.0 0.794 0.537 0.561 0.000 0.000 -0.000 3/30240 720.0 0.783 0.530 0.554 0.000 0.000 -0.000 3/30240 730.0 0.772 0.522 0.546 0.000 0.000 -0.000 3/30240 740.0 0.762 0.515 0.539 0.000 0.000 -0.000 3/30240 750.0 0.752 0.508 0.531 0.000 0.000 -0.000 3/30240 760.0 0.742 0.502 0.524 0.000 0.000 -0.000 3/30240 770.0 0.732 0.495 0.518 0.000 0.000 -0.000 3/30240 780.0 0.723 0.489 0.511 0.000 0.000 -0.000 3/30240 790.0 0.714 0.483 0.504 0.000 0.000 -0.000 3/30240 800.0 0.705 0.477 0.498 0.000 0.000 -0.000 3/30240 810.0 0.696 0.471 0.492 0.000 0.000 -0.000 3/30240 820.0 0.688 0.465 0.486 0.000 0.000 -0.000 3/30240 830.0 0.679 0.459 0.480 0.000 0.000 -0.000 3/30240 840.0 0.671 0.454 0.474 0.000 0.000 -0.000 3/30240 850.0 0.663 0.448 0.469 0.000 0.000 -0.000 3/30240 860.0 0.656 0.443 0.463 0.000 0.000 -0.000 3/30240 870.0 0.648 0.438 0.458 0.000 0.000 -0.000 3/30240 880.0 0.641 0.433 0.453 0.000 0.000 -0.000 3/30240 890.0 0.633 0.428 0.448 0.000 0.000 -0.000 3/30240 900.0 0.626 0.423 0.443 0.000 0.000 -0.000 3/30240 910.0 0.619 0.419 0.438 0.000 0.000 -0.000 3/30240 920.0 0.613 0.414 0.433 0.000 0.000 -0.000 3/30240 930.0 0.606 0.410 0.428 0.000 0.000 -0.000 3/30240 940.0 0.600 0.405 0.424 0.000 0.000 -0.000 3/30240 950.0 0.593 0.401 0.419 0.000 0.000 -0.000 3/30240 960.0 0.587 0.397 0.415 0.000 0.000 -0.000 3/30240 970.0 0.581 0.393 0.411 0.000 0.000 -0.000 3/30240 980.0 0.575 0.389 0.407 0.000 0.000 -0.000 3/30240 990.0 0.569 0.385 0.402 0.000 0.000 -0.000 3/30240 1000.0 0.564 0.381 0.398 0.000 0.000 -0.000 3/30240 Thermal conductivity related properties were written into "kappa-m12127.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:26:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|