----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:28:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.589219290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.139035789999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.668838450000000 Atomic positions (fractional): *1 H 0.42211302877747 0.96757594940707 0.30184630064291 1.008 2 H 0.57788697122253 0.46757594940707 0.69815369935709 1.008 3 H 0.07788697122253 0.03242405059293 0.80184630064291 1.008 4 H 0.92211302877747 0.53242405059293 0.19815369935709 1.008 5 H 0.57788697122253 0.03242405059293 0.69815369935709 1.008 6 H 0.42211302877747 0.53242405059293 0.30184630064291 1.008 7 H 0.92211302877747 0.96757594940707 0.19815369935709 1.008 8 H 0.07788697122253 0.46757594940707 0.80184630064291 1.008 *9 H 0.86535860980885 0.25000000000000 0.69833363888385 1.008 10 H 0.13464139019115 0.75000000000000 0.30166636111615 1.008 11 H 0.63464139019115 0.75000000000000 0.19833363888385 1.008 12 H 0.36535860980885 0.25000000000000 0.80166636111615 1.008 *13 Si 0.54095205602180 0.25000000000000 0.85427747620065 28.085 14 Si 0.45904794397820 0.75000000000000 0.14572252379935 28.085 15 Si 0.95904794397820 0.75000000000000 0.35427747620065 28.085 16 Si 0.04095205602180 0.25000000000000 0.64572252379935 28.085 *17 K 0.68808325420565 0.25000000000000 0.35240281253447 39.098 18 K 0.31191674579435 0.75000000000000 0.64759718746553 39.098 19 K 0.81191674579435 0.75000000000000 0.85240281253447 39.098 20 K 0.18808325420565 0.25000000000000 0.14759718746553 39.098 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.589219290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.139035789999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.668838450000000 Atomic positions (fractional): *1 H 0.42211302877747 0.96757594940707 0.30184630064291 1.008 > 1 2 H 0.57788697122253 0.46757594940707 0.69815369935709 1.008 > 2 3 H 0.07788697122253 0.03242405059293 0.80184630064291 1.008 > 3 4 H 0.92211302877747 0.53242405059293 0.19815369935709 1.008 > 4 5 H 0.57788697122253 0.03242405059293 0.69815369935709 1.008 > 5 6 H 0.42211302877747 0.53242405059293 0.30184630064291 1.008 > 6 7 H 0.92211302877747 0.96757594940707 0.19815369935709 1.008 > 7 8 H 0.07788697122253 0.46757594940707 0.80184630064291 1.008 > 8 *9 H 0.86535860980885 0.25000000000000 0.69833363888385 1.008 > 9 10 H 0.13464139019115 0.75000000000000 0.30166636111615 1.008 > 10 11 H 0.63464139019115 0.75000000000000 0.19833363888385 1.008 > 11 12 H 0.36535860980885 0.25000000000000 0.80166636111615 1.008 > 12 *13 Si 0.54095205602180 0.25000000000000 0.85427747620065 28.085 > 13 14 Si 0.45904794397820 0.75000000000000 0.14572252379935 28.085 > 14 15 Si 0.95904794397820 0.75000000000000 0.35427747620065 28.085 > 15 16 Si 0.04095205602180 0.25000000000000 0.64572252379935 28.085 > 16 *17 K 0.68808325420565 0.25000000000000 0.35240281253447 39.098 > 17 18 K 0.31191674579435 0.75000000000000 0.64759718746553 39.098 > 18 19 K 0.81191674579435 0.75000000000000 0.85240281253447 39.098 > 19 20 K 0.18808325420565 0.25000000000000 0.14759718746553 39.098 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.589219290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.278071579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.337676900000000 Atomic positions (fractional): *1 H 0.42211302877747 0.48378797470353 0.15092315032145 1.008 > 1 2 H 0.42211302877747 0.98378797470353 0.15092315032145 1.008 > 1 3 H 0.42211302877747 0.48378797470353 0.65092315032145 1.008 > 1 4 H 0.42211302877747 0.98378797470353 0.65092315032145 1.008 > 1 5 H 0.57788697122253 0.23378797470353 0.34907684967855 1.008 > 2 6 H 0.57788697122253 0.73378797470353 0.34907684967855 1.008 > 2 7 H 0.57788697122253 0.23378797470353 0.84907684967855 1.008 > 2 8 H 0.57788697122253 0.73378797470353 0.84907684967855 1.008 > 2 9 H 0.07788697122253 0.01621202529647 0.40092315032145 1.008 > 3 10 H 0.07788697122253 0.51621202529647 0.40092315032145 1.008 > 3 11 H 0.07788697122253 0.01621202529647 0.90092315032145 1.008 > 3 12 H 0.07788697122253 0.51621202529647 0.90092315032145 1.008 > 3 13 H 0.92211302877747 0.26621202529647 0.09907684967855 1.008 > 4 14 H 0.92211302877747 0.76621202529647 0.09907684967855 1.008 > 4 15 H 0.92211302877747 0.26621202529647 0.59907684967855 1.008 > 4 16 H 0.92211302877747 0.76621202529647 0.59907684967855 1.008 > 4 17 H 0.57788697122253 0.01621202529647 0.34907684967855 1.008 > 5 18 H 0.57788697122253 0.51621202529647 0.34907684967855 1.008 > 5 19 H 0.57788697122253 0.01621202529647 0.84907684967855 1.008 > 5 20 H 0.57788697122253 0.51621202529647 0.84907684967855 1.008 > 5 21 H 0.42211302877747 0.26621202529647 0.15092315032145 1.008 > 6 22 H 0.42211302877747 0.76621202529647 0.15092315032145 1.008 > 6 23 H 0.42211302877747 0.26621202529647 0.65092315032145 1.008 > 6 24 H 0.42211302877747 0.76621202529647 0.65092315032145 1.008 > 6 25 H 0.92211302877747 0.48378797470353 0.09907684967855 1.008 > 7 26 H 0.92211302877747 0.98378797470353 0.09907684967855 1.008 > 7 27 H 0.92211302877747 0.48378797470353 0.59907684967855 1.008 > 7 28 H 0.92211302877747 0.98378797470353 0.59907684967855 1.008 > 7 29 H 0.07788697122253 0.23378797470353 0.40092315032145 1.008 > 8 30 H 0.07788697122253 0.73378797470353 0.40092315032145 1.008 > 8 31 H 0.07788697122253 0.23378797470353 0.90092315032145 1.008 > 8 32 H 0.07788697122253 0.73378797470353 0.90092315032145 1.008 > 8 *33 H 0.86535860980885 0.12500000000000 0.34916681944193 1.008 > 9 34 H 0.86535860980885 0.62500000000000 0.34916681944193 1.008 > 9 35 H 0.86535860980885 0.12500000000000 0.84916681944193 1.008 > 9 36 H 0.86535860980885 0.62500000000000 0.84916681944193 1.008 > 9 37 H 0.13464139019115 0.37500000000000 0.15083318055807 1.008 > 10 38 H 0.13464139019115 0.87500000000000 0.15083318055807 1.008 > 10 39 H 0.13464139019115 0.37500000000000 0.65083318055807 1.008 > 10 40 H 0.13464139019115 0.87500000000000 0.65083318055807 1.008 > 10 41 H 0.63464139019115 0.37500000000000 0.09916681944193 1.008 > 11 42 H 0.63464139019115 0.87500000000000 0.09916681944193 1.008 > 11 43 H 0.63464139019115 0.37500000000000 0.59916681944193 1.008 > 11 44 H 0.63464139019115 0.87500000000000 0.59916681944193 1.008 > 11 45 H 0.36535860980885 0.12500000000000 0.40083318055807 1.008 > 12 46 H 0.36535860980885 0.62500000000000 0.40083318055807 1.008 > 12 47 H 0.36535860980885 0.12500000000000 0.90083318055807 1.008 > 12 48 H 0.36535860980885 0.62500000000000 0.90083318055807 1.008 > 12 *49 Si 0.54095205602180 0.12500000000000 0.42713873810032 28.085 > 13 50 Si 0.54095205602180 0.62500000000000 0.42713873810032 28.085 > 13 51 Si 0.54095205602180 0.12500000000000 0.92713873810032 28.085 > 13 52 Si 0.54095205602180 0.62500000000000 0.92713873810032 28.085 > 13 53 Si 0.45904794397820 0.37500000000000 0.07286126189968 28.085 > 14 54 Si 0.45904794397820 0.87500000000000 0.07286126189968 28.085 > 14 55 Si 0.45904794397820 0.37500000000000 0.57286126189968 28.085 > 14 56 Si 0.45904794397820 0.87500000000000 0.57286126189968 28.085 > 14 57 Si 0.95904794397820 0.37500000000000 0.17713873810032 28.085 > 15 58 Si 0.95904794397820 0.87500000000000 0.17713873810032 28.085 > 15 59 Si 0.95904794397820 0.37500000000000 0.67713873810032 28.085 > 15 60 Si 0.95904794397820 0.87500000000000 0.67713873810032 28.085 > 15 61 Si 0.04095205602180 0.12500000000000 0.32286126189968 28.085 > 16 62 Si 0.04095205602180 0.62500000000000 0.32286126189968 28.085 > 16 63 Si 0.04095205602180 0.12500000000000 0.82286126189968 28.085 > 16 64 Si 0.04095205602180 0.62500000000000 0.82286126189968 28.085 > 16 *65 K 0.68808325420565 0.12500000000000 0.17620140626724 39.098 > 17 66 K 0.68808325420565 0.62500000000000 0.17620140626724 39.098 > 17 67 K 0.68808325420565 0.12500000000000 0.67620140626724 39.098 > 17 68 K 0.68808325420565 0.62500000000000 0.67620140626724 39.098 > 17 69 K 0.31191674579435 0.37500000000000 0.32379859373276 39.098 > 18 70 K 0.31191674579435 0.87500000000000 0.32379859373276 39.098 > 18 71 K 0.31191674579435 0.37500000000000 0.82379859373276 39.098 > 18 72 K 0.31191674579435 0.87500000000000 0.82379859373276 39.098 > 18 73 K 0.81191674579435 0.37500000000000 0.42620140626724 39.098 > 19 74 K 0.81191674579435 0.87500000000000 0.42620140626724 39.098 > 19 75 K 0.81191674579435 0.37500000000000 0.92620140626724 39.098 > 19 76 K 0.81191674579435 0.87500000000000 0.92620140626724 39.098 > 19 77 K 0.18808325420565 0.12500000000000 0.07379859373276 39.098 > 20 78 K 0.18808325420565 0.62500000000000 0.07379859373276 39.098 > 20 79 K 0.18808325420565 0.12500000000000 0.57379859373276 39.098 > 20 80 K 0.18808325420565 0.62500000000000 0.57379859373276 39.098 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1169904 0.0000000 0.0000000 0.0000000 5.0261407 0.0000000 0.0000000 0.0000000 4.2569599 -------------------------- Born effective charges -------------------------- 1 H -0.3061264 0.1112808 0.2335696 -0.0395166 -0.7551675 -0.6548773 0.0637318 -0.2800939 -0.7130901 2 H -0.3061264 -0.1112808 0.2335696 0.0395166 -0.7551675 0.6548773 0.0637318 0.2800939 -0.7130901 3 H -0.3061264 0.1112808 -0.2335696 -0.0395166 -0.7551675 0.6548773 -0.0637318 0.2800939 -0.7130901 4 H -0.3061264 -0.1112808 -0.2335696 0.0395166 -0.7551675 -0.6548773 -0.0637318 -0.2800939 -0.7130901 5 H -0.3061264 0.1112808 0.2335696 -0.0395166 -0.7551675 -0.6548773 0.0637318 -0.2800939 -0.7130901 6 H -0.3061264 -0.1112808 0.2335696 0.0395166 -0.7551675 0.6548773 0.0637318 0.2800939 -0.7130901 7 H -0.3061264 0.1112808 -0.2335696 -0.0395166 -0.7551675 0.6548773 -0.0637318 0.2800939 -0.7130901 8 H -0.3061264 -0.1112808 -0.2335696 0.0395166 -0.7551675 -0.6548773 -0.0637318 -0.2800939 -0.7130901 9 H -0.7993069 0.0000000 0.2682458 0.0000000 -0.4229252 0.0000000 0.0452932 0.0000000 -0.2861318 10 H -0.7993069 0.0000000 0.2682458 0.0000000 -0.4229252 0.0000000 0.0452932 0.0000000 -0.2861318 11 H -0.7993069 0.0000000 -0.2682458 0.0000000 -0.4229252 0.0000000 -0.0452932 0.0000000 -0.2861318 12 H -0.7993069 0.0000000 -0.2682458 0.0000000 -0.4229252 0.0000000 -0.0452932 0.0000000 -0.2861318 13 Si 0.1484819 0.0000000 -0.2516672 0.0000000 0.7104667 0.0000000 -0.0827473 0.0000000 0.6230113 14 Si 0.1484819 0.0000000 -0.2516672 0.0000000 0.7104667 0.0000000 -0.0827473 0.0000000 0.6230113 15 Si 0.1484819 0.0000000 0.2516672 0.0000000 0.7104667 0.0000000 0.0827473 0.0000000 0.6230113 16 Si 0.1484819 0.0000000 0.2516672 0.0000000 0.7104667 0.0000000 0.0827473 0.0000000 0.6230113 17 K 1.2630779 0.0000000 0.1661710 0.0000000 1.2227935 0.0000000 0.2426210 0.0000000 1.0893006 18 K 1.2630779 0.0000000 0.1661710 0.0000000 1.2227935 0.0000000 0.2426210 0.0000000 1.0893006 19 K 1.2630779 0.0000000 -0.1661710 0.0000000 1.2227935 0.0000000 -0.2426210 0.0000000 1.0893006 20 K 1.2630779 0.0000000 -0.1661710 0.0000000 1.2227935 0.0000000 -0.2426210 0.0000000 1.0893006 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 993 Number of blocks in projector: 993 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 143 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 143 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 143 Use standard eigh solver. Tree of FC basis block matrices: - (993, 969), data: False |-- (143, 139), data: True |-- (143, 139), data: True |-- (143, 139), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 228), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 0.281 Solver_block: 200 / 320 - Time: 0.287 Solver_block: 300 / 320 - Time: 0.287 Solver_block: 320 / 320 - Time: 0.090 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.961 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 993 Number of blocks in projector: 993 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: 236 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 143 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 143 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 143 Use standard eigh solver. Tree of FC basis block matrices: - (993, 969), data: False |-- (143, 139), data: True |-- (143, 139), data: True |-- (143, 139), data: True |-- (164, 162), data: True |-- (164, 162), data: True |-- (236, 228), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:28:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:28:46]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.589219290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.139035789999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.668838450000000 Atomic positions (fractional): 1 H 0.42211302877747 0.96757594940707 0.30184630064291 1.008 2 H 0.57788697122253 0.46757594940707 0.69815369935709 1.008 3 H 0.07788697122253 0.03242405059293 0.80184630064291 1.008 4 H 0.92211302877747 0.53242405059293 0.19815369935709 1.008 5 H 0.57788697122253 0.03242405059293 0.69815369935709 1.008 6 H 0.42211302877747 0.53242405059293 0.30184630064291 1.008 7 H 0.92211302877747 0.96757594940707 0.19815369935709 1.008 8 H 0.07788697122253 0.46757594940707 0.80184630064291 1.008 9 H 0.86535860980885 0.25000000000000 0.69833363888385 1.008 10 H 0.13464139019115 0.75000000000000 0.30166636111615 1.008 11 H 0.63464139019115 0.75000000000000 0.19833363888385 1.008 12 H 0.36535860980885 0.25000000000000 0.80166636111615 1.008 13 Si 0.54095205602180 0.25000000000000 0.85427747620065 28.085 14 Si 0.45904794397820 0.75000000000000 0.14572252379935 28.085 15 Si 0.95904794397820 0.75000000000000 0.35427747620065 28.085 16 Si 0.04095205602180 0.25000000000000 0.64572252379935 28.085 17 K 0.68808325420565 0.25000000000000 0.35240281253447 39.098 18 K 0.31191674579435 0.75000000000000 0.64759718746553 39.098 19 K 0.81191674579435 0.75000000000000 0.85240281253447 39.098 20 K 0.18808325420565 0.25000000000000 0.14759718746553 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.589219290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.278071579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.337676900000000 Atomic positions (fractional): 1 H 0.42211302877747 0.48378797470353 0.15092315032145 1.008 > 1 2 H 0.42211302877747 0.98378797470353 0.15092315032145 1.008 > 1 3 H 0.42211302877747 0.48378797470353 0.65092315032145 1.008 > 1 4 H 0.42211302877747 0.98378797470353 0.65092315032145 1.008 > 1 5 H 0.57788697122253 0.23378797470353 0.34907684967855 1.008 > 5 6 H 0.57788697122253 0.73378797470353 0.34907684967855 1.008 > 5 7 H 0.57788697122253 0.23378797470353 0.84907684967855 1.008 > 5 8 H 0.57788697122253 0.73378797470353 0.84907684967855 1.008 > 5 9 H 0.07788697122253 0.01621202529647 0.40092315032145 1.008 > 9 10 H 0.07788697122253 0.51621202529647 0.40092315032145 1.008 > 9 11 H 0.07788697122253 0.01621202529647 0.90092315032145 1.008 > 9 12 H 0.07788697122253 0.51621202529647 0.90092315032145 1.008 > 9 13 H 0.92211302877747 0.26621202529647 0.09907684967855 1.008 > 13 14 H 0.92211302877747 0.76621202529647 0.09907684967855 1.008 > 13 15 H 0.92211302877747 0.26621202529647 0.59907684967855 1.008 > 13 16 H 0.92211302877747 0.76621202529647 0.59907684967855 1.008 > 13 17 H 0.57788697122253 0.01621202529647 0.34907684967855 1.008 > 17 18 H 0.57788697122253 0.51621202529647 0.34907684967855 1.008 > 17 19 H 0.57788697122253 0.01621202529647 0.84907684967855 1.008 > 17 20 H 0.57788697122253 0.51621202529647 0.84907684967855 1.008 > 17 21 H 0.42211302877747 0.26621202529647 0.15092315032145 1.008 > 21 22 H 0.42211302877747 0.76621202529647 0.15092315032145 1.008 > 21 23 H 0.42211302877747 0.26621202529647 0.65092315032145 1.008 > 21 24 H 0.42211302877747 0.76621202529647 0.65092315032145 1.008 > 21 25 H 0.92211302877747 0.48378797470353 0.09907684967855 1.008 > 25 26 H 0.92211302877747 0.98378797470353 0.09907684967855 1.008 > 25 27 H 0.92211302877747 0.48378797470353 0.59907684967855 1.008 > 25 28 H 0.92211302877747 0.98378797470353 0.59907684967855 1.008 > 25 29 H 0.07788697122253 0.23378797470353 0.40092315032145 1.008 > 29 30 H 0.07788697122253 0.73378797470353 0.40092315032145 1.008 > 29 31 H 0.07788697122253 0.23378797470353 0.90092315032145 1.008 > 29 32 H 0.07788697122253 0.73378797470353 0.90092315032145 1.008 > 29 33 H 0.86535860980885 0.12500000000000 0.34916681944193 1.008 > 33 34 H 0.86535860980885 0.62500000000000 0.34916681944193 1.008 > 33 35 H 0.86535860980885 0.12500000000000 0.84916681944193 1.008 > 33 36 H 0.86535860980885 0.62500000000000 0.84916681944193 1.008 > 33 37 H 0.13464139019115 0.37500000000000 0.15083318055807 1.008 > 37 38 H 0.13464139019115 0.87500000000000 0.15083318055807 1.008 > 37 39 H 0.13464139019115 0.37500000000000 0.65083318055807 1.008 > 37 40 H 0.13464139019115 0.87500000000000 0.65083318055807 1.008 > 37 41 H 0.63464139019115 0.37500000000000 0.09916681944193 1.008 > 41 42 H 0.63464139019115 0.87500000000000 0.09916681944193 1.008 > 41 43 H 0.63464139019115 0.37500000000000 0.59916681944193 1.008 > 41 44 H 0.63464139019115 0.87500000000000 0.59916681944193 1.008 > 41 45 H 0.36535860980885 0.12500000000000 0.40083318055807 1.008 > 45 46 H 0.36535860980885 0.62500000000000 0.40083318055807 1.008 > 45 47 H 0.36535860980885 0.12500000000000 0.90083318055807 1.008 > 45 48 H 0.36535860980885 0.62500000000000 0.90083318055807 1.008 > 45 49 Si 0.54095205602180 0.12500000000000 0.42713873810032 28.085 > 49 50 Si 0.54095205602180 0.62500000000000 0.42713873810032 28.085 > 49 51 Si 0.54095205602180 0.12500000000000 0.92713873810032 28.085 > 49 52 Si 0.54095205602180 0.62500000000000 0.92713873810032 28.085 > 49 53 Si 0.45904794397820 0.37500000000000 0.07286126189968 28.085 > 53 54 Si 0.45904794397820 0.87500000000000 0.07286126189968 28.085 > 53 55 Si 0.45904794397820 0.37500000000000 0.57286126189968 28.085 > 53 56 Si 0.45904794397820 0.87500000000000 0.57286126189968 28.085 > 53 57 Si 0.95904794397820 0.37500000000000 0.17713873810032 28.085 > 57 58 Si 0.95904794397820 0.87500000000000 0.17713873810032 28.085 > 57 59 Si 0.95904794397820 0.37500000000000 0.67713873810032 28.085 > 57 60 Si 0.95904794397820 0.87500000000000 0.67713873810032 28.085 > 57 61 Si 0.04095205602180 0.12500000000000 0.32286126189968 28.085 > 61 62 Si 0.04095205602180 0.62500000000000 0.32286126189968 28.085 > 61 63 Si 0.04095205602180 0.12500000000000 0.82286126189968 28.085 > 61 64 Si 0.04095205602180 0.62500000000000 0.82286126189968 28.085 > 61 65 K 0.68808325420565 0.12500000000000 0.17620140626724 39.098 > 65 66 K 0.68808325420565 0.62500000000000 0.17620140626724 39.098 > 65 67 K 0.68808325420565 0.12500000000000 0.67620140626724 39.098 > 65 68 K 0.68808325420565 0.62500000000000 0.67620140626724 39.098 > 65 69 K 0.31191674579435 0.37500000000000 0.32379859373276 39.098 > 69 70 K 0.31191674579435 0.87500000000000 0.32379859373276 39.098 > 69 71 K 0.31191674579435 0.37500000000000 0.82379859373276 39.098 > 69 72 K 0.31191674579435 0.87500000000000 0.82379859373276 39.098 > 69 73 K 0.81191674579435 0.37500000000000 0.42620140626724 39.098 > 73 74 K 0.81191674579435 0.87500000000000 0.42620140626724 39.098 > 73 75 K 0.81191674579435 0.37500000000000 0.92620140626724 39.098 > 73 76 K 0.81191674579435 0.87500000000000 0.92620140626724 39.098 > 73 77 K 0.18808325420565 0.12500000000000 0.07379859373276 39.098 > 77 78 K 0.18808325420565 0.62500000000000 0.07379859373276 39.098 > 77 79 K 0.18808325420565 0.12500000000000 0.57379859373276 39.098 > 77 80 K 0.18808325420565 0.62500000000000 0.57379859373276 39.098 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1169904 0.0000000 0.0000000 0.0000000 5.0261407 0.0000000 0.0000000 0.0000000 4.2569599 -------------------------- Born effective charges -------------------------- 1 H -0.3061264 0.1112808 0.2335696 -0.0395166 -0.7551675 -0.6548773 0.0637318 -0.2800939 -0.7130901 2 H -0.3061264 -0.1112808 0.2335696 0.0395166 -0.7551675 0.6548773 0.0637318 0.2800939 -0.7130901 3 H -0.3061264 0.1112808 -0.2335696 -0.0395166 -0.7551675 0.6548773 -0.0637318 0.2800939 -0.7130901 4 H -0.3061264 -0.1112808 -0.2335696 0.0395166 -0.7551675 -0.6548773 -0.0637318 -0.2800939 -0.7130901 5 H -0.3061264 0.1112808 0.2335696 -0.0395166 -0.7551675 -0.6548773 0.0637318 -0.2800939 -0.7130901 6 H -0.3061264 -0.1112808 0.2335696 0.0395166 -0.7551675 0.6548773 0.0637318 0.2800939 -0.7130901 7 H -0.3061264 0.1112808 -0.2335696 -0.0395166 -0.7551675 0.6548773 -0.0637318 0.2800939 -0.7130901 8 H -0.3061264 -0.1112808 -0.2335696 0.0395166 -0.7551675 -0.6548773 -0.0637318 -0.2800939 -0.7130901 9 H -0.7993069 0.0000000 0.2682458 0.0000000 -0.4229252 0.0000000 0.0452932 0.0000000 -0.2861318 10 H -0.7993069 0.0000000 0.2682458 0.0000000 -0.4229252 0.0000000 0.0452932 0.0000000 -0.2861318 11 H -0.7993069 0.0000000 -0.2682458 0.0000000 -0.4229252 0.0000000 -0.0452932 0.0000000 -0.2861318 12 H -0.7993069 0.0000000 -0.2682458 0.0000000 -0.4229252 0.0000000 -0.0452932 0.0000000 -0.2861318 13 Si 0.1484819 0.0000000 -0.2516672 0.0000000 0.7104667 0.0000000 -0.0827473 0.0000000 0.6230113 14 Si 0.1484819 0.0000000 -0.2516672 0.0000000 0.7104667 0.0000000 -0.0827473 0.0000000 0.6230113 15 Si 0.1484819 0.0000000 0.2516672 0.0000000 0.7104667 0.0000000 0.0827473 0.0000000 0.6230113 16 Si 0.1484819 0.0000000 0.2516672 0.0000000 0.7104667 0.0000000 0.0827473 0.0000000 0.6230113 17 K 1.2630779 0.0000000 0.1661710 0.0000000 1.2227935 0.0000000 0.2426210 0.0000000 1.0893006 18 K 1.2630779 0.0000000 0.1661710 0.0000000 1.2227935 0.0000000 0.2426210 0.0000000 1.0893006 19 K 1.2630779 0.0000000 -0.1661710 0.0000000 1.2227935 0.0000000 -0.2426210 0.0000000 1.0893006 20 K 1.2630779 0.0000000 -0.1661710 0.0000000 1.2227935 0.0000000 -0.2426210 0.0000000 1.0893006 ---------------------------------------------------------------------------- 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[ 33, 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[ 65, 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: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:28:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:28:58]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.589219290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.139035789999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.668838450000000 Atomic positions (fractional): 1 H 0.42211302877747 0.96757594940707 0.30184630064291 1.008 2 H 0.57788697122253 0.46757594940707 0.69815369935709 1.008 3 H 0.07788697122253 0.03242405059293 0.80184630064291 1.008 4 H 0.92211302877747 0.53242405059293 0.19815369935709 1.008 5 H 0.57788697122253 0.03242405059293 0.69815369935709 1.008 6 H 0.42211302877747 0.53242405059293 0.30184630064291 1.008 7 H 0.92211302877747 0.96757594940707 0.19815369935709 1.008 8 H 0.07788697122253 0.46757594940707 0.80184630064291 1.008 9 H 0.86535860980885 0.25000000000000 0.69833363888385 1.008 10 H 0.13464139019115 0.75000000000000 0.30166636111615 1.008 11 H 0.63464139019115 0.75000000000000 0.19833363888385 1.008 12 H 0.36535860980885 0.25000000000000 0.80166636111615 1.008 13 Si 0.54095205602180 0.25000000000000 0.85427747620065 28.085 14 Si 0.45904794397820 0.75000000000000 0.14572252379935 28.085 15 Si 0.95904794397820 0.75000000000000 0.35427747620065 28.085 16 Si 0.04095205602180 0.25000000000000 0.64572252379935 28.085 17 K 0.68808325420565 0.25000000000000 0.35240281253447 39.098 18 K 0.31191674579435 0.75000000000000 0.64759718746553 39.098 19 K 0.81191674579435 0.75000000000000 0.85240281253447 39.098 20 K 0.18808325420565 0.25000000000000 0.14759718746553 39.098 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.589219290000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.278071579999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.337676900000000 Atomic positions (fractional): 1 H 0.42211302877747 0.48378797470353 0.15092315032145 1.008 > 1 2 H 0.42211302877747 0.98378797470353 0.15092315032145 1.008 > 1 3 H 0.42211302877747 0.48378797470353 0.65092315032145 1.008 > 1 4 H 0.42211302877747 0.98378797470353 0.65092315032145 1.008 > 1 5 H 0.57788697122253 0.23378797470353 0.34907684967855 1.008 > 5 6 H 0.57788697122253 0.73378797470353 0.34907684967855 1.008 > 5 7 H 0.57788697122253 0.23378797470353 0.84907684967855 1.008 > 5 8 H 0.57788697122253 0.73378797470353 0.84907684967855 1.008 > 5 9 H 0.07788697122253 0.01621202529647 0.40092315032145 1.008 > 9 10 H 0.07788697122253 0.51621202529647 0.40092315032145 1.008 > 9 11 H 0.07788697122253 0.01621202529647 0.90092315032145 1.008 > 9 12 H 0.07788697122253 0.51621202529647 0.90092315032145 1.008 > 9 13 H 0.92211302877747 0.26621202529647 0.09907684967855 1.008 > 13 14 H 0.92211302877747 0.76621202529647 0.09907684967855 1.008 > 13 15 H 0.92211302877747 0.26621202529647 0.59907684967855 1.008 > 13 16 H 0.92211302877747 0.76621202529647 0.59907684967855 1.008 > 13 17 H 0.57788697122253 0.01621202529647 0.34907684967855 1.008 > 17 18 H 0.57788697122253 0.51621202529647 0.34907684967855 1.008 > 17 19 H 0.57788697122253 0.01621202529647 0.84907684967855 1.008 > 17 20 H 0.57788697122253 0.51621202529647 0.84907684967855 1.008 > 17 21 H 0.42211302877747 0.26621202529647 0.15092315032145 1.008 > 21 22 H 0.42211302877747 0.76621202529647 0.15092315032145 1.008 > 21 23 H 0.42211302877747 0.26621202529647 0.65092315032145 1.008 > 21 24 H 0.42211302877747 0.76621202529647 0.65092315032145 1.008 > 21 25 H 0.92211302877747 0.48378797470353 0.09907684967855 1.008 > 25 26 H 0.92211302877747 0.98378797470353 0.09907684967855 1.008 > 25 27 H 0.92211302877747 0.48378797470353 0.59907684967855 1.008 > 25 28 H 0.92211302877747 0.98378797470353 0.59907684967855 1.008 > 25 29 H 0.07788697122253 0.23378797470353 0.40092315032145 1.008 > 29 30 H 0.07788697122253 0.73378797470353 0.40092315032145 1.008 > 29 31 H 0.07788697122253 0.23378797470353 0.90092315032145 1.008 > 29 32 H 0.07788697122253 0.73378797470353 0.90092315032145 1.008 > 29 33 H 0.86535860980885 0.12500000000000 0.34916681944193 1.008 > 33 34 H 0.86535860980885 0.62500000000000 0.34916681944193 1.008 > 33 35 H 0.86535860980885 0.12500000000000 0.84916681944193 1.008 > 33 36 H 0.86535860980885 0.62500000000000 0.84916681944193 1.008 > 33 37 H 0.13464139019115 0.37500000000000 0.15083318055807 1.008 > 37 38 H 0.13464139019115 0.87500000000000 0.15083318055807 1.008 > 37 39 H 0.13464139019115 0.37500000000000 0.65083318055807 1.008 > 37 40 H 0.13464139019115 0.87500000000000 0.65083318055807 1.008 > 37 41 H 0.63464139019115 0.37500000000000 0.09916681944193 1.008 > 41 42 H 0.63464139019115 0.87500000000000 0.09916681944193 1.008 > 41 43 H 0.63464139019115 0.37500000000000 0.59916681944193 1.008 > 41 44 H 0.63464139019115 0.87500000000000 0.59916681944193 1.008 > 41 45 H 0.36535860980885 0.12500000000000 0.40083318055807 1.008 > 45 46 H 0.36535860980885 0.62500000000000 0.40083318055807 1.008 > 45 47 H 0.36535860980885 0.12500000000000 0.90083318055807 1.008 > 45 48 H 0.36535860980885 0.62500000000000 0.90083318055807 1.008 > 45 49 Si 0.54095205602180 0.12500000000000 0.42713873810032 28.085 > 49 50 Si 0.54095205602180 0.62500000000000 0.42713873810032 28.085 > 49 51 Si 0.54095205602180 0.12500000000000 0.92713873810032 28.085 > 49 52 Si 0.54095205602180 0.62500000000000 0.92713873810032 28.085 > 49 53 Si 0.45904794397820 0.37500000000000 0.07286126189968 28.085 > 53 54 Si 0.45904794397820 0.87500000000000 0.07286126189968 28.085 > 53 55 Si 0.45904794397820 0.37500000000000 0.57286126189968 28.085 > 53 56 Si 0.45904794397820 0.87500000000000 0.57286126189968 28.085 > 53 57 Si 0.95904794397820 0.37500000000000 0.17713873810032 28.085 > 57 58 Si 0.95904794397820 0.87500000000000 0.17713873810032 28.085 > 57 59 Si 0.95904794397820 0.37500000000000 0.67713873810032 28.085 > 57 60 Si 0.95904794397820 0.87500000000000 0.67713873810032 28.085 > 57 61 Si 0.04095205602180 0.12500000000000 0.32286126189968 28.085 > 61 62 Si 0.04095205602180 0.62500000000000 0.32286126189968 28.085 > 61 63 Si 0.04095205602180 0.12500000000000 0.82286126189968 28.085 > 61 64 Si 0.04095205602180 0.62500000000000 0.82286126189968 28.085 > 61 65 K 0.68808325420565 0.12500000000000 0.17620140626724 39.098 > 65 66 K 0.68808325420565 0.62500000000000 0.17620140626724 39.098 > 65 67 K 0.68808325420565 0.12500000000000 0.67620140626724 39.098 > 65 68 K 0.68808325420565 0.62500000000000 0.67620140626724 39.098 > 65 69 K 0.31191674579435 0.37500000000000 0.32379859373276 39.098 > 69 70 K 0.31191674579435 0.87500000000000 0.32379859373276 39.098 > 69 71 K 0.31191674579435 0.37500000000000 0.82379859373276 39.098 > 69 72 K 0.31191674579435 0.87500000000000 0.82379859373276 39.098 > 69 73 K 0.81191674579435 0.37500000000000 0.42620140626724 39.098 > 73 74 K 0.81191674579435 0.87500000000000 0.42620140626724 39.098 > 73 75 K 0.81191674579435 0.37500000000000 0.92620140626724 39.098 > 73 76 K 0.81191674579435 0.87500000000000 0.92620140626724 39.098 > 73 77 K 0.18808325420565 0.12500000000000 0.07379859373276 39.098 > 77 78 K 0.18808325420565 0.62500000000000 0.07379859373276 39.098 > 77 79 K 0.18808325420565 0.12500000000000 0.57379859373276 39.098 > 77 80 K 0.18808325420565 0.62500000000000 0.57379859373276 39.098 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1169904 0.0000000 0.0000000 0.0000000 5.0261407 0.0000000 0.0000000 0.0000000 4.2569599 -------------------------- Born effective charges -------------------------- 1 H -0.3061264 0.1112808 0.2335696 -0.0395166 -0.7551675 -0.6548773 0.0637318 -0.2800939 -0.7130901 2 H -0.3061264 -0.1112808 0.2335696 0.0395166 -0.7551675 0.6548773 0.0637318 0.2800939 -0.7130901 3 H -0.3061264 0.1112808 -0.2335696 -0.0395166 -0.7551675 0.6548773 -0.0637318 0.2800939 -0.7130901 4 H -0.3061264 -0.1112808 -0.2335696 0.0395166 -0.7551675 -0.6548773 -0.0637318 -0.2800939 -0.7130901 5 H -0.3061264 0.1112808 0.2335696 -0.0395166 -0.7551675 -0.6548773 0.0637318 -0.2800939 -0.7130901 6 H -0.3061264 -0.1112808 0.2335696 0.0395166 -0.7551675 0.6548773 0.0637318 0.2800939 -0.7130901 7 H -0.3061264 0.1112808 -0.2335696 -0.0395166 -0.7551675 0.6548773 -0.0637318 0.2800939 -0.7130901 8 H -0.3061264 -0.1112808 -0.2335696 0.0395166 -0.7551675 -0.6548773 -0.0637318 -0.2800939 -0.7130901 9 H -0.7993069 0.0000000 0.2682458 0.0000000 -0.4229252 0.0000000 0.0452932 0.0000000 -0.2861318 10 H -0.7993069 0.0000000 0.2682458 0.0000000 -0.4229252 0.0000000 0.0452932 0.0000000 -0.2861318 11 H -0.7993069 0.0000000 -0.2682458 0.0000000 -0.4229252 0.0000000 -0.0452932 0.0000000 -0.2861318 12 H -0.7993069 0.0000000 -0.2682458 0.0000000 -0.4229252 0.0000000 -0.0452932 0.0000000 -0.2861318 13 Si 0.1484819 0.0000000 -0.2516672 0.0000000 0.7104667 0.0000000 -0.0827473 0.0000000 0.6230113 14 Si 0.1484819 0.0000000 -0.2516672 0.0000000 0.7104667 0.0000000 -0.0827473 0.0000000 0.6230113 15 Si 0.1484819 0.0000000 0.2516672 0.0000000 0.7104667 0.0000000 0.0827473 0.0000000 0.6230113 16 Si 0.1484819 0.0000000 0.2516672 0.0000000 0.7104667 0.0000000 0.0827473 0.0000000 0.6230113 17 K 1.2630779 0.0000000 0.1661710 0.0000000 1.2227935 0.0000000 0.2426210 0.0000000 1.0893006 18 K 1.2630779 0.0000000 0.1661710 0.0000000 1.2227935 0.0000000 0.2426210 0.0000000 1.0893006 19 K 1.2630779 0.0000000 -0.1661710 0.0000000 1.2227935 0.0000000 -0.2426210 0.0000000 1.0893006 20 K 1.2630779 0.0000000 -0.1661710 0.0000000 1.2227935 0.0000000 -0.2426210 0.0000000 1.0893006 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) 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 ... [ 6 10 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: 0.62, Number of G-points: 297, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 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 2.271 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 4.099 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.413 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.743 ( 0.000 0.000 0.000) 0.000 4.839 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.725 ( 0.000 0.000 0.000) 0.000 11.814 ( 0.000 0.000 0.000) 0.000 12.508 ( 0.000 0.000 0.000) 0.000 13.021 ( 0.000 0.000 0.000) 0.000 13.828 ( 0.000 0.000 0.000) 0.000 13.857 ( 0.000 0.000 0.000) 0.000 14.074 ( 0.000 0.000 0.000) 0.000 14.141 ( 0.000 0.000 0.000) 0.000 14.628 ( 0.000 0.000 0.000) 0.000 15.124 ( 0.000 0.000 0.000) 0.000 15.750 ( 0.000 0.000 0.000) 0.000 15.791 ( 0.000 0.000 0.000) 0.000 15.995 ( 0.000 0.000 0.000) 0.000 26.488 ( 0.000 0.000 0.000) 0.000 26.536 ( 0.000 0.000 0.000) 0.000 26.684 ( 0.000 0.000 0.000) 0.000 26.806 ( 0.000 0.000 0.000) 0.000 27.943 ( 0.000 0.000 0.000) 0.000 28.039 ( 0.000 0.000 0.000) 0.000 28.226 ( 0.000 0.000 0.000) 0.000 28.485 ( 0.000 0.000 0.000) 0.000 28.567 ( 0.000 0.000 0.000) 0.000 28.616 ( 0.000 0.000 0.000) 0.000 28.895 ( 0.000 0.000 0.000) 0.000 29.006 ( 0.000 0.000 0.000) 0.000 53.788 ( 0.000 0.000 0.000) 0.000 53.873 ( 0.000 0.000 0.000) 0.000 54.589 ( 0.000 0.000 0.000) 0.000 54.594 ( 0.000 0.000 0.000) 0.000 54.840 ( 0.000 0.000 0.000) 0.000 54.858 ( 0.000 0.000 0.000) 0.000 55.356 ( 0.000 0.000 0.000) 0.000 55.625 ( 0.000 0.000 0.000) 0.000 56.108 ( 0.000 0.000 0.000) 0.000 56.217 ( 0.000 0.000 0.000) 0.000 57.289 ( 0.000 0.000 0.000) 0.000 57.682 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 25.864 0.000 0.000) 25.864 0.654 ( 33.396 0.000 0.000) 33.396 0.870 ( 43.730 0.000 0.000) 43.730 2.143 ( -11.904 0.000 0.000) 11.904 2.339 ( 6.814 0.000 0.000) 6.814 2.711 ( 7.644 0.000 0.000) 7.644 2.884 ( -20.790 0.000 0.000) 20.790 2.926 ( 0.378 0.000 0.000) 0.378 3.037 ( 0.496 0.000 0.000) 0.496 3.249 ( -6.216 0.000 0.000) 6.216 3.298 ( -8.686 0.000 0.000) 8.686 3.719 ( -16.998 0.000 0.000) 16.998 3.847 ( 9.149 0.000 0.000) 9.149 4.372 ( 6.782 0.000 0.000) 6.782 4.377 ( 6.820 0.000 0.000) 6.820 4.390 ( -2.354 0.000 0.000) 2.354 4.464 ( -0.751 0.000 0.000) 0.751 4.809 ( 6.068 0.000 0.000) 6.068 4.861 ( 2.363 0.000 0.000) 2.363 4.888 ( -2.816 0.000 0.000) 2.816 5.210 ( -0.759 0.000 0.000) 0.759 5.473 ( 0.045 0.000 0.000) 0.045 5.495 ( -1.119 0.000 0.000) 1.119 5.713 ( -1.260 0.000 0.000) 1.260 12.022 ( 3.447 0.000 0.000) 3.447 12.473 ( -3.559 0.000 0.000) 3.559 13.076 ( 5.507 0.000 0.000) 5.507 13.774 ( -5.373 0.000 0.000) 5.373 13.879 ( 2.161 0.000 0.000) 2.161 14.065 ( -0.894 0.000 0.000) 0.894 14.178 ( 3.684 0.000 0.000) 3.684 14.600 ( -2.879 0.000 0.000) 2.879 15.162 ( 3.864 0.000 0.000) 3.864 15.740 ( -5.062 0.000 0.000) 5.062 15.764 ( 1.384 0.000 0.000) 1.384 15.976 ( -1.878 0.000 0.000) 1.878 26.512 ( 2.405 0.000 0.000) 2.405 26.545 ( 0.884 0.000 0.000) 0.884 26.674 ( -0.970 0.000 0.000) 0.970 26.824 ( -2.276 0.000 0.000) 2.276 27.949 ( 0.676 0.000 0.000) 0.676 28.033 ( -0.625 0.000 0.000) 0.625 28.491 ( 0.584 0.000 0.000) 0.584 28.536 ( 0.410 0.000 0.000) 0.410 28.562 ( -0.515 0.000 0.000) 0.515 28.609 ( -0.713 0.000 0.000) 0.713 28.904 ( 0.877 0.000 0.000) 0.877 29.000 ( -0.634 0.000 0.000) 0.634 53.794 ( 0.570 0.000 0.000) 0.570 53.867 ( -0.576 0.000 0.000) 0.576 54.608 ( 1.378 0.000 0.000) 1.378 54.797 ( -1.652 0.000 0.000) 1.652 54.841 ( 0.123 0.000 0.000) 0.123 54.857 ( -0.117 0.000 0.000) 0.117 55.384 ( 2.735 0.000 0.000) 2.735 55.612 ( -1.344 0.000 0.000) 1.344 56.173 ( 6.743 0.000 0.000) 6.743 57.132 ( 4.558 0.000 0.000) 4.558 57.195 ( -9.287 0.000 0.000) 9.287 57.655 ( -3.017 0.000 0.000) 3.017 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( 24.170 0.000 0.000) 24.170 1.290 ( 31.923 0.000 0.000) 31.923 1.644 ( 27.396 0.000 0.000) 27.396 1.889 ( -5.477 0.000 0.000) 5.477 2.426 ( -25.946 0.000 0.000) 25.946 2.523 ( 11.781 0.000 0.000) 11.781 2.893 ( 10.810 0.000 0.000) 10.810 2.894 ( -9.570 0.000 0.000) 9.570 3.036 ( -0.714 0.000 0.000) 0.714 3.048 ( -13.067 0.000 0.000) 13.067 3.052 ( -11.341 0.000 0.000) 11.341 3.391 ( -15.366 0.000 0.000) 15.366 4.038 ( 9.609 0.000 0.000) 9.609 4.321 ( -4.787 0.000 0.000) 4.787 4.460 ( 0.389 0.000 0.000) 0.389 4.462 ( 1.968 0.000 0.000) 1.968 4.526 ( 8.422 0.000 0.000) 8.422 4.808 ( -5.400 0.000 0.000) 5.400 4.926 ( 3.920 0.000 0.000) 3.920 4.938 ( 5.937 0.000 0.000) 5.937 5.200 ( 0.438 0.000 0.000) 0.438 5.389 ( -6.165 0.000 0.000) 6.165 5.544 ( 3.625 0.000 0.000) 3.625 5.676 ( -2.551 0.000 0.000) 2.551 12.116 ( 6.029 0.000 0.000) 6.029 12.376 ( -6.139 0.000 0.000) 6.139 13.225 ( 9.490 0.000 0.000) 9.490 13.628 ( -9.355 0.000 0.000) 9.355 13.933 ( 3.141 0.000 0.000) 3.141 14.038 ( -1.872 0.000 0.000) 1.872 14.276 ( 6.088 0.000 0.000) 6.088 14.519 ( -5.299 0.000 0.000) 5.299 15.271 ( 7.235 0.000 0.000) 7.235 15.606 ( -8.360 0.000 0.000) 8.360 15.803 ( 2.595 0.000 0.000) 2.595 15.926 ( -3.148 0.000 0.000) 3.148 26.569 ( 1.531 0.000 0.000) 1.531 26.574 ( 3.627 0.000 0.000) 3.627 26.651 ( -1.150 0.000 0.000) 1.150 26.762 ( -3.966 0.000 0.000) 3.966 27.968 ( 1.151 0.000 0.000) 1.151 28.016 ( -1.101 0.000 0.000) 1.101 28.507 ( 0.986 0.000 0.000) 0.986 28.548 ( -0.917 0.000 0.000) 0.917 28.548 ( 0.841 0.000 0.000) 0.841 28.591 ( -1.138 0.000 0.000) 1.138 28.927 ( 1.413 0.000 0.000) 1.413 28.982 ( -1.176 0.000 0.000) 1.176 53.809 ( 0.989 0.000 0.000) 0.989 53.851 ( -0.995 0.000 0.000) 0.995 54.646 ( 2.433 0.000 0.000) 2.433 54.754 ( -2.664 0.000 0.000) 2.664 54.844 ( 0.211 0.000 0.000) 0.211 54.853 ( -0.205 0.000 0.000) 0.205 55.449 ( 3.649 0.000 0.000) 3.649 55.574 ( -2.470 0.000 0.000) 2.470 56.365 ( 12.736 0.000 0.000) 12.736 56.954 ( -14.791 0.000 0.000) 14.791 57.254 ( 7.678 0.000 0.000) 7.678 57.562 ( -6.455 0.000 0.000) 6.455 ======================= Grid point 3 (4/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -21.103 0.000 0.000) 21.103 1.439 ( 21.103 0.000 0.000) 21.103 1.887 ( -29.464 0.000 0.000) 29.464 1.887 ( 29.464 0.000 0.000) 29.464 2.419 ( -32.244 0.000 0.000) 32.244 2.419 ( 32.244 0.000 0.000) 32.244 2.779 ( -14.032 0.000 0.000) 14.032 2.779 ( 14.032 0.000 0.000) 14.032 3.013 ( -1.155 0.000 0.000) 1.155 3.013 ( 1.155 0.000 0.000) 1.155 3.124 ( -12.637 0.000 0.000) 12.637 3.124 ( 12.637 0.000 0.000) 12.637 4.204 ( -7.322 0.000 0.000) 7.322 4.204 ( 7.322 0.000 0.000) 7.322 4.471 ( -0.488 0.000 0.000) 0.488 4.471 ( 0.488 0.000 0.000) 0.488 4.682 ( -7.455 0.000 0.000) 7.455 4.682 ( 7.455 0.000 0.000) 7.455 4.986 ( -1.269 0.000 0.000) 1.269 4.986 ( 1.269 0.000 0.000) 1.269 5.263 ( -5.985 0.000 0.000) 5.985 5.263 ( 5.985 0.000 0.000) 5.985 5.616 ( -3.550 0.000 0.000) 3.550 5.616 ( 3.550 0.000 0.000) 3.550 12.245 ( -7.035 0.000 0.000) 7.035 12.245 ( 7.035 0.000 0.000) 7.035 13.427 ( -10.880 0.000 0.000) 10.880 13.427 ( 10.880 0.000 0.000) 10.880 13.993 ( -2.808 0.000 0.000) 2.808 13.993 ( 2.808 0.000 0.000) 2.808 14.402 ( -6.584 0.000 0.000) 6.584 14.402 ( 6.584 0.000 0.000) 6.584 15.433 ( -9.059 0.000 0.000) 9.059 15.433 ( 9.059 0.000 0.000) 9.059 15.861 ( -3.327 0.000 0.000) 3.327 15.861 ( 3.327 0.000 0.000) 3.327 26.599 ( -1.319 0.000 0.000) 1.319 26.599 ( 1.319 0.000 0.000) 1.319 26.679 ( -4.159 0.000 0.000) 4.159 26.679 ( 4.159 0.000 0.000) 4.159 27.992 ( -1.299 0.000 0.000) 1.299 27.992 ( 1.299 0.000 0.000) 1.299 28.528 ( -1.098 0.000 0.000) 1.098 28.528 ( 1.098 0.000 0.000) 1.098 28.568 ( -1.152 0.000 0.000) 1.152 28.568 ( 1.152 0.000 0.000) 1.152 28.955 ( -1.488 0.000 0.000) 1.488 28.955 ( 1.488 0.000 0.000) 1.488 53.830 ( -1.145 0.000 0.000) 1.145 53.830 ( 1.145 0.000 0.000) 1.145 54.698 ( -2.909 0.000 0.000) 2.909 54.698 ( 2.909 0.000 0.000) 2.909 54.849 ( -0.240 0.000 0.000) 0.240 54.849 ( 0.240 0.000 0.000) 0.240 55.518 ( -3.294 0.000 0.000) 3.294 55.518 ( 3.294 0.000 0.000) 3.294 56.649 ( -15.891 0.000 0.000) 15.891 56.649 ( 15.891 0.000 0.000) 15.891 57.414 ( -8.360 0.000 0.000) 8.360 57.414 ( 8.360 0.000 0.000) 8.360 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 0.000 24.282 0.000) 24.282 0.648 ( 0.000 33.131 0.000) 33.131 0.761 ( 0.000 38.536 0.000) 38.536 2.332 ( 0.000 5.360 0.000) 5.360 2.336 ( 0.000 5.911 0.000) 5.911 2.660 ( 0.000 5.635 0.000) 5.635 2.866 ( 0.000 -5.437 0.000) 5.437 3.042 ( 0.000 1.441 0.000) 1.441 3.050 ( 0.000 -10.216 0.000) 10.216 3.151 ( 0.000 -8.687 0.000) 8.687 3.367 ( 0.000 -4.523 0.000) 4.523 3.673 ( 0.000 -7.183 0.000) 7.183 3.969 ( 0.000 4.858 0.000) 4.858 4.115 ( 0.000 1.536 0.000) 1.536 4.324 ( 0.000 5.503 0.000) 5.503 4.366 ( 0.000 6.001 0.000) 6.001 4.628 ( 0.000 0.573 0.000) 0.573 4.702 ( 0.000 -4.161 0.000) 4.161 4.858 ( 0.000 1.971 0.000) 1.971 4.873 ( 0.000 -4.402 0.000) 4.402 5.211 ( 0.000 -4.884 0.000) 4.884 5.443 ( 0.000 -1.633 0.000) 1.633 5.507 ( 0.000 -1.242 0.000) 1.242 5.678 ( 0.000 -4.796 0.000) 4.796 11.828 ( 0.000 1.389 0.000) 1.389 12.528 ( 0.000 1.998 0.000) 1.998 12.974 ( 0.000 -4.748 0.000) 4.748 13.753 ( 0.000 -7.271 0.000) 7.271 13.888 ( 0.000 3.020 0.000) 3.020 14.130 ( 0.000 3.275 0.000) 3.275 14.146 ( 0.000 0.508 0.000) 0.508 14.638 ( 0.000 0.912 0.000) 0.912 15.144 ( 0.000 1.821 0.000) 1.821 15.723 ( 0.000 -2.686 0.000) 2.686 15.778 ( 0.000 -1.286 0.000) 1.286 15.967 ( 0.000 -2.798 0.000) 2.798 26.486 ( 0.000 -0.249 0.000) 0.249 26.533 ( 0.000 -0.282 0.000) 0.282 26.666 ( 0.000 -1.829 0.000) 1.829 26.792 ( 0.000 -1.472 0.000) 1.472 28.075 ( 0.000 3.560 0.000) 3.560 28.229 ( 0.000 0.527 0.000) 0.527 28.511 ( 0.000 2.426 0.000) 2.426 28.521 ( 0.000 -2.715 0.000) 2.715 28.575 ( 0.000 0.641 0.000) 0.641 28.665 ( 0.000 3.020 0.000) 3.020 28.881 ( 0.000 -1.436 0.000) 1.436 28.991 ( 0.000 -1.541 0.000) 1.541 53.967 ( 0.000 9.274 0.000) 9.274 54.478 ( 0.000 -8.028 0.000) 8.028 54.495 ( 0.000 -6.785 0.000) 6.785 54.952 ( 0.000 8.658 0.000) 8.658 54.988 ( 0.000 9.434 0.000) 9.434 55.307 ( 0.000 -5.000 0.000) 5.000 55.558 ( 0.000 -6.661 0.000) 6.661 55.785 ( 0.000 -2.039 0.000) 2.039 56.106 ( 0.000 -0.171 0.000) 0.171 56.213 ( 0.000 -0.374 0.000) 0.374 57.290 ( 0.000 0.116 0.000) 0.116 57.665 ( 0.000 -1.751 0.000) 1.751 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 16.251 10.478 0.000) 19.336 0.690 ( 18.345 16.031 0.000) 24.363 1.362 ( 35.997 31.494 0.000) 47.829 2.186 ( -12.542 4.560 0.000) 13.345 2.385 ( 5.012 4.151 0.000) 6.508 2.718 ( -22.103 -13.024 0.000) 25.655 2.771 ( 9.007 6.383 0.000) 11.039 2.879 ( 0.150 -5.198 0.000) 5.200 3.037 ( -0.388 0.701 0.000) 0.801 3.186 ( -7.561 -6.142 0.000) 9.741 3.328 ( -1.022 -1.656 0.000) 1.946 3.738 ( -8.090 3.118 0.000) 8.670 3.858 ( 3.918 0.695 0.000) 3.979 4.230 ( 6.857 -3.835 0.000) 7.857 4.382 ( 4.002 1.934 0.000) 4.445 4.414 ( 4.089 3.326 0.000) 5.271 4.600 ( -2.775 3.513 0.000) 4.477 4.772 ( 3.728 -4.758 0.000) 6.044 4.863 ( 0.653 -2.667 0.000) 2.746 4.870 ( 1.296 1.058 0.000) 1.673 5.134 ( -4.943 -6.037 0.000) 7.802 5.447 ( -1.254 -2.737 0.000) 3.011 5.492 ( 0.041 -0.236 0.000) 0.240 5.668 ( -0.928 -4.426 0.000) 4.522 11.938 ( 7.977 -2.876 0.000) 8.480 12.491 ( -3.743 1.834 0.000) 4.168 13.023 ( 5.091 -5.037 0.000) 7.162 13.702 ( -5.198 -7.100 0.000) 8.800 13.910 ( 2.187 3.047 0.000) 3.750 14.110 ( -1.543 3.811 0.000) 4.111 14.184 ( 3.782 0.605 0.000) 3.830 14.611 ( -2.814 0.962 0.000) 2.974 15.178 ( 3.533 1.502 0.000) 3.838 15.729 ( -4.922 -1.146 0.000) 5.053 15.736 ( 1.349 -2.723 0.000) 3.039 15.948 ( -1.910 -2.837 0.000) 3.420 26.509 ( 2.306 -0.346 0.000) 2.332 26.541 ( 0.789 -0.376 0.000) 0.874 26.657 ( -0.860 -1.718 0.000) 1.921 26.787 ( -1.103 -2.275 0.000) 2.528 28.072 ( -0.280 3.867 0.000) 3.877 28.148 ( -5.520 9.239 0.000) 10.762 28.441 ( -1.840 -0.582 0.000) 1.929 28.514 ( -0.788 -2.810 0.000) 2.919 28.608 ( 1.079 3.035 0.000) 3.221 28.660 ( -0.424 3.134 0.000) 3.163 28.887 ( 0.767 -1.568 0.000) 1.746 28.984 ( -0.666 -1.574 0.000) 1.709 53.965 ( -0.143 9.575 0.000) 9.576 54.351 ( -16.117 13.822 0.000) 21.232 54.489 ( 1.108 -7.957 0.000) 8.034 54.747 ( -14.344 9.643 0.000) 17.284 54.994 ( 0.546 9.781 0.000) 9.796 55.148 ( -10.430 19.820 0.000) 22.396 55.333 ( 2.429 -5.195 0.000) 5.735 55.545 ( -1.306 -6.630 0.000) 6.758 56.172 ( 6.916 -0.104 0.000) 6.917 56.825 ( 21.333 -19.976 0.000) 29.226 57.197 ( -9.164 0.265 0.000) 9.168 57.630 ( -3.684 -2.408 0.000) 4.401 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 30.168 -11.497 0.000) 32.284 1.085 ( 21.080 8.716 0.000) 22.811 1.886 ( -14.607 7.190 0.000) 16.281 2.067 ( 32.756 23.538 0.000) 40.336 2.236 ( -26.886 -14.362 0.000) 30.482 2.521 ( 8.829 0.278 0.000) 8.834 2.875 ( -2.548 -5.058 0.000) 5.663 2.965 ( 9.471 4.435 0.000) 10.458 2.995 ( -8.992 -4.810 0.000) 10.197 3.027 ( 0.459 1.653 0.000) 1.715 3.190 ( -15.362 11.940 0.000) 19.457 3.443 ( -14.679 5.155 0.000) 15.558 4.070 ( 11.963 1.886 0.000) 12.111 4.319 ( 2.145 0.139 0.000) 2.150 4.455 ( 1.638 -0.779 0.000) 1.814 4.494 ( 5.662 -2.205 0.000) 6.076 4.520 ( -4.974 4.505 0.000) 6.711 4.737 ( -4.989 -6.508 0.000) 8.200 4.905 ( 2.075 -1.787 0.000) 2.738 4.939 ( 3.020 -0.802 0.000) 3.124 5.100 ( 2.864 -8.828 0.000) 9.281 5.364 ( -6.277 -2.500 0.000) 6.756 5.534 ( 3.103 -1.062 0.000) 3.280 5.641 ( -1.906 -3.447 0.000) 3.939 12.091 ( 7.907 -1.480 0.000) 8.045 12.388 ( -6.568 1.300 0.000) 6.696 13.165 ( 9.242 -5.733 0.000) 10.876 13.560 ( -9.135 -6.712 0.000) 11.336 13.965 ( 3.222 3.169 0.000) 4.519 14.075 ( -2.112 3.598 0.000) 4.172 14.284 ( 6.202 0.805 0.000) 6.253 14.531 ( -5.307 1.037 0.000) 5.408 15.279 ( 6.774 0.736 0.000) 6.814 15.599 ( -8.085 -0.745 0.000) 8.119 15.775 ( 2.548 -2.810 0.000) 3.793 15.897 ( -3.166 -2.893 0.000) 4.289 26.562 ( 1.370 -0.633 0.000) 1.509 26.568 ( 3.404 -0.643 0.000) 3.464 26.637 ( -0.940 -1.412 0.000) 1.696 26.742 ( -3.384 -1.782 0.000) 3.825 28.066 ( -0.338 4.823 0.000) 4.834 28.078 ( -1.822 9.035 0.000) 9.217 28.439 ( 0.884 -3.123 0.000) 3.246 28.492 ( -1.372 -3.069 0.000) 3.361 28.623 ( 0.646 3.901 0.000) 3.955 28.650 ( -0.659 3.437 0.000) 3.499 28.909 ( 1.403 -1.722 0.000) 2.221 28.965 ( -1.221 -1.651 0.000) 2.054 53.965 ( 0.343 10.836 0.000) 10.842 54.085 ( -8.606 20.484 0.000) 22.218 54.519 ( 1.913 -7.724 0.000) 7.958 54.613 ( -3.346 -4.605 0.000) 5.692 55.009 ( 1.033 10.711 0.000) 10.761 55.066 ( -2.072 13.663 0.000) 13.819 55.392 ( 3.337 -5.787 0.000) 6.680 55.509 ( -2.371 -6.517 0.000) 6.935 56.367 ( 12.906 0.232 0.000) 12.909 56.958 ( -14.737 0.448 0.000) 14.744 57.122 ( 12.268 -11.686 0.000) 16.943 57.519 ( -7.664 -4.142 0.000) 8.712 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -9.441 -0.857 0.000) 9.480 1.448 ( 9.441 -0.857 0.000) 9.480 1.721 ( -19.481 -8.030 0.000) 21.071 1.721 ( 19.481 -8.030 0.000) 21.071 2.682 ( -26.092 18.558 0.000) 32.018 2.682 ( 26.092 18.558 0.000) 32.018 2.721 ( -13.197 -3.209 0.000) 13.582 2.721 ( 13.197 -3.209 0.000) 13.582 2.991 ( -0.148 -1.877 0.000) 1.883 2.991 ( 0.148 -1.877 0.000) 1.883 3.201 ( -11.578 6.614 0.000) 13.334 3.201 ( 11.578 6.614 0.000) 13.334 4.271 ( -7.678 5.887 0.000) 9.675 4.271 ( 7.678 5.887 0.000) 9.675 4.462 ( -0.384 -1.337 0.000) 1.391 4.462 ( 0.384 -1.337 0.000) 1.391 4.621 ( -6.656 -5.764 0.000) 8.805 4.621 ( 6.656 -5.764 0.000) 8.805 4.942 ( -1.480 -4.477 0.000) 4.715 4.942 ( 1.480 -4.477 0.000) 4.715 5.223 ( -7.844 -3.488 0.000) 8.584 5.223 ( 7.844 -3.488 0.000) 8.584 5.594 ( -2.899 -2.188 0.000) 3.632 5.594 ( 2.899 -2.188 0.000) 3.632 12.246 ( -7.888 0.263 0.000) 7.892 12.246 ( 7.888 0.263 0.000) 7.892 13.363 ( -10.667 -6.263 0.000) 12.369 13.363 ( 10.667 -6.263 0.000) 12.369 14.026 ( -2.917 3.357 0.000) 4.447 14.026 ( 2.917 3.357 0.000) 4.447 14.412 ( -6.661 0.979 0.000) 6.732 14.412 ( 6.661 0.979 0.000) 6.732 15.432 ( -8.658 -0.095 0.000) 8.659 15.432 ( 8.658 -0.095 0.000) 8.659 15.832 ( -3.303 -2.887 0.000) 4.386 15.832 ( 3.303 -2.887 0.000) 4.386 26.590 ( -1.203 -0.953 0.000) 1.535 26.590 ( 1.203 -0.953 0.000) 1.535 26.667 ( -3.924 -1.180 0.000) 4.098 26.667 ( 3.924 -1.180 0.000) 4.098 28.062 ( -0.132 6.535 0.000) 6.536 28.062 ( 0.132 6.535 0.000) 6.536 28.463 ( -1.503 -3.342 0.000) 3.664 28.463 ( 1.503 -3.342 0.000) 3.664 28.636 ( -0.688 3.787 0.000) 3.849 28.636 ( 0.688 3.787 0.000) 3.849 28.938 ( -1.519 -1.722 0.000) 2.296 28.938 ( 1.519 -1.722 0.000) 2.296 53.988 ( -2.422 14.106 0.000) 14.313 53.988 ( 2.422 14.106 0.000) 14.313 54.561 ( -2.378 -7.074 0.000) 7.464 54.561 ( 2.378 -7.074 0.000) 7.464 55.033 ( -1.432 11.979 0.000) 12.064 55.033 ( 1.432 11.979 0.000) 12.064 55.455 ( -3.092 -6.256 0.000) 6.978 55.455 ( 3.092 -6.256 0.000) 6.978 56.653 ( -15.952 0.446 0.000) 15.959 56.653 ( 15.952 0.446 0.000) 15.959 57.341 ( -10.416 -6.947 0.000) 12.520 57.341 ( 10.416 -6.947 0.000) 12.520 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 23.343 0.000) 23.343 1.284 ( 0.000 32.069 0.000) 32.069 1.484 ( 0.000 35.208 0.000) 35.208 2.435 ( 0.000 4.612 0.000) 4.612 2.485 ( 0.000 8.974 0.000) 8.974 2.723 ( 0.000 -8.852 0.000) 8.852 2.832 ( 0.000 -11.703 0.000) 11.703 2.853 ( 0.000 14.226 0.000) 14.226 2.924 ( 0.000 -13.911 0.000) 13.911 3.090 ( 0.000 3.561 0.000) 3.561 3.189 ( 0.000 -12.344 0.000) 12.344 3.481 ( 0.000 -12.158 0.000) 12.158 4.127 ( 0.000 10.266 0.000) 10.266 4.150 ( 0.000 1.783 0.000) 1.783 4.447 ( 0.000 6.494 0.000) 6.494 4.498 ( 0.000 7.115 0.000) 7.115 4.583 ( 0.000 -8.035 0.000) 8.035 4.648 ( 0.000 1.567 0.000) 1.567 4.744 ( 0.000 -8.785 0.000) 8.785 4.917 ( 0.000 4.210 0.000) 4.210 5.071 ( 0.000 -9.443 0.000) 9.443 5.378 ( 0.000 -4.973 0.000) 4.973 5.487 ( 0.000 -0.977 0.000) 0.977 5.545 ( 0.000 -8.677 0.000) 8.677 11.870 ( 0.000 3.081 0.000) 3.081 12.584 ( 0.000 3.703 0.000) 3.703 12.843 ( 0.000 -8.485 0.000) 8.485 13.566 ( 0.000 -11.409 0.000) 11.409 13.967 ( 0.000 4.805 0.000) 4.805 14.159 ( 0.000 0.811 0.000) 0.811 14.220 ( 0.000 5.813 0.000) 5.813 14.659 ( 0.000 1.136 0.000) 1.136 15.187 ( 0.000 2.419 0.000) 2.419 15.651 ( 0.000 -4.606 0.000) 4.606 15.744 ( 0.000 -2.193 0.000) 2.193 15.892 ( 0.000 -4.730 0.000) 4.730 26.478 ( 0.000 -0.461 0.000) 0.461 26.527 ( 0.000 -0.235 0.000) 0.235 26.618 ( 0.000 -2.942 0.000) 2.942 26.751 ( 0.000 -2.660 0.000) 2.660 28.168 ( 0.000 5.640 0.000) 5.640 28.255 ( 0.000 2.245 0.000) 2.245 28.481 ( 0.000 -1.284 0.000) 1.284 28.568 ( 0.000 3.088 0.000) 3.088 28.591 ( 0.000 0.961 0.000) 0.961 28.714 ( 0.000 1.884 0.000) 1.884 28.839 ( 0.000 -2.790 0.000) 2.790 28.948 ( 0.000 -2.770 0.000) 2.770 54.206 ( 0.000 14.427 0.000) 14.427 54.350 ( 0.000 -4.518 0.000) 4.518 54.381 ( 0.000 -4.390 0.000) 4.390 55.123 ( 0.000 8.450 0.000) 8.450 55.155 ( 0.000 7.025 0.000) 7.025 55.165 ( 0.000 -9.336 0.000) 9.336 55.381 ( 0.000 -10.971 0.000) 10.971 55.731 ( 0.000 -3.455 0.000) 3.455 56.104 ( 0.000 0.103 0.000) 0.103 56.202 ( 0.000 -0.707 0.000) 0.707 57.296 ( 0.000 0.576 0.000) 0.576 57.617 ( 0.000 -3.060 0.000) 3.060 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -10.222 29.560 0.000) 31.278 1.052 ( 10.690 20.032 0.000) 22.706 1.968 ( 30.310 29.480 0.000) 42.282 2.303 ( -11.842 6.890 0.000) 13.700 2.454 ( -23.362 -13.161 0.000) 26.814 2.501 ( 2.210 8.031 0.000) 8.330 2.743 ( 1.085 -8.161 0.000) 8.233 2.931 ( 5.361 8.963 0.000) 10.444 3.027 ( -8.042 -9.577 0.000) 12.506 3.088 ( 0.642 5.165 0.000) 5.204 3.187 ( 8.592 -11.529 0.000) 14.379 3.677 ( 14.997 -10.132 0.000) 18.099 3.990 ( -12.286 11.765 0.000) 17.011 4.208 ( 5.295 0.274 0.000) 5.302 4.449 ( -0.682 4.521 0.000) 4.573 4.506 ( 0.774 5.905 0.000) 5.956 4.598 ( -0.580 -7.505 0.000) 7.527 4.669 ( 0.580 -0.875 0.000) 1.050 4.774 ( 5.531 -6.569 0.000) 8.588 4.909 ( -0.891 3.054 0.000) 3.181 4.992 ( -7.274 -8.479 0.000) 11.171 5.369 ( -1.631 -5.201 0.000) 5.451 5.483 ( 0.104 -0.892 0.000) 0.898 5.546 ( 0.101 -8.025 0.000) 8.026 11.936 ( 6.249 2.040 0.000) 6.574 12.543 ( -4.129 3.515 0.000) 5.423 12.888 ( 4.609 -8.593 0.000) 9.751 13.518 ( -4.816 -11.202 0.000) 12.193 13.990 ( 2.317 4.907 0.000) 5.427 14.199 ( 3.969 0.904 0.000) 4.070 14.206 ( -1.341 5.955 0.000) 6.104 14.633 ( -2.726 1.176 0.000) 2.969 15.214 ( 2.806 2.015 0.000) 3.454 15.663 ( 1.248 -4.673 0.000) 4.837 15.698 ( -4.551 -1.967 0.000) 4.958 15.871 ( -2.012 -4.815 0.000) 5.218 26.499 ( 2.033 -0.633 0.000) 2.129 26.532 ( 0.531 -0.396 0.000) 0.663 26.612 ( -0.557 -2.749 0.000) 2.805 26.739 ( -1.263 -2.743 0.000) 3.020 28.172 ( 0.419 5.984 0.000) 5.998 28.257 ( 0.079 3.635 0.000) 3.636 28.473 ( -0.846 -1.236 0.000) 1.498 28.476 ( -5.019 3.278 0.000) 5.994 28.648 ( 2.294 1.357 0.000) 2.666 28.711 ( -0.302 1.890 0.000) 1.914 28.844 ( 0.575 -2.815 0.000) 2.873 28.940 ( -0.752 -2.827 0.000) 2.925 54.201 ( -0.359 12.630 0.000) 12.635 54.360 ( -2.165 -3.145 0.000) 3.818 54.375 ( 2.408 -2.158 0.000) 3.234 54.998 ( -13.204 11.689 0.000) 17.634 55.166 ( 1.124 7.268 0.000) 7.355 55.186 ( 1.861 -9.635 0.000) 9.813 55.369 ( -1.252 -10.961 0.000) 11.032 55.451 ( -13.287 9.903 0.000) 16.571 56.173 ( 7.256 0.303 0.000) 7.263 56.522 ( 20.170 -11.397 0.000) 23.167 57.207 ( -8.884 0.766 0.000) 8.917 57.567 ( -5.243 -3.960 0.000) 6.570 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 13.424 10.201 0.000) 16.860 1.309 ( 14.226 13.426 0.000) 19.561 1.983 ( -24.002 -10.110 0.000) 26.044 2.027 ( -15.388 8.519 0.000) 17.589 2.511 ( 15.958 10.249 0.000) 18.966 2.609 ( 16.711 17.562 0.000) 24.242 2.760 ( -1.118 -5.368 0.000) 5.483 2.870 ( -5.304 -7.886 0.000) 9.504 2.969 ( -0.513 0.539 0.000) 0.744 3.171 ( 7.324 8.580 0.000) 11.281 3.293 ( 1.057 -3.104 0.000) 3.279 3.646 ( -18.831 14.975 0.000) 24.059 4.026 ( 16.591 -7.871 0.000) 18.363 4.325 ( 6.060 -0.028 0.000) 6.060 4.437 ( 0.090 0.175 0.000) 0.197 4.504 ( -1.184 3.438 0.000) 3.636 4.539 ( -5.561 -7.416 0.000) 9.270 4.617 ( -6.357 -1.529 0.000) 6.539 4.860 ( -3.874 -7.621 0.000) 8.549 4.883 ( -1.695 0.183 0.000) 1.705 4.950 ( 10.556 -4.607 0.000) 11.517 5.295 ( -5.969 -4.572 0.000) 7.518 5.502 ( 1.603 -2.289 0.000) 2.795 5.545 ( -0.262 -6.366 0.000) 6.372 12.089 ( 8.926 1.448 0.000) 9.042 12.429 ( -7.382 2.947 0.000) 7.949 13.017 ( 8.473 -9.140 0.000) 12.463 13.386 ( -8.559 -10.659 0.000) 13.671 14.049 ( 3.502 5.222 0.000) 6.287 14.170 ( -2.319 5.950 0.000) 6.386 14.304 ( 6.430 1.109 0.000) 6.525 14.554 ( -5.262 1.275 0.000) 5.415 15.296 ( 5.684 0.969 0.000) 5.766 15.578 ( -7.372 -1.317 0.000) 7.488 15.699 ( 2.412 -4.831 0.000) 5.400 15.819 ( -3.224 -4.948 0.000) 5.906 26.547 ( 0.923 -0.844 0.000) 1.251 26.550 ( 2.820 -1.133 0.000) 3.039 26.600 ( -0.354 -2.214 0.000) 2.242 26.700 ( -2.813 -2.499 0.000) 3.763 28.185 ( 1.008 6.942 0.000) 7.015 28.246 ( -1.423 7.320 0.000) 7.458 28.413 ( -1.104 0.707 0.000) 1.311 28.450 ( -1.477 -1.142 0.000) 1.867 28.678 ( 1.008 1.764 0.000) 2.032 28.703 ( -0.461 1.920 0.000) 1.975 28.863 ( 1.280 -2.976 0.000) 3.240 28.920 ( -1.330 -2.954 0.000) 3.240 54.203 ( 0.751 10.103 0.000) 10.131 54.301 ( -3.605 1.392 0.000) 3.865 54.438 ( 4.091 2.056 0.000) 4.578 54.718 ( -12.461 14.101 0.000) 18.818 55.197 ( 2.017 7.910 0.000) 8.163 55.231 ( 2.569 -10.162 0.000) 10.482 55.307 ( -3.992 10.043 0.000) 10.807 55.335 ( -2.190 -10.866 0.000) 11.084 56.376 ( 13.269 0.703 0.000) 13.288 56.877 ( 16.665 -12.188 0.000) 20.646 56.972 ( -14.610 1.003 0.000) 14.645 57.414 ( -10.312 -6.239 0.000) 12.052 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -16.545 -2.724 0.000) 16.768 1.375 ( 16.545 -2.724 0.000) 16.768 1.749 ( -9.307 8.474 0.000) 12.587 1.749 ( 9.307 8.474 0.000) 12.587 2.659 ( -6.680 -1.126 0.000) 6.775 2.659 ( 6.680 -1.126 0.000) 6.775 2.860 ( -0.383 -3.779 0.000) 3.799 2.860 ( 0.383 -3.779 0.000) 3.799 3.145 ( -18.929 17.666 0.000) 25.892 3.145 ( 18.929 17.666 0.000) 25.892 3.324 ( -9.392 5.841 0.000) 11.061 3.324 ( 9.392 5.841 0.000) 11.061 4.338 ( -14.406 -6.328 0.000) 15.735 4.338 ( 14.406 -6.328 0.000) 15.735 4.425 ( -3.196 2.468 0.000) 4.038 4.425 ( 3.196 2.468 0.000) 4.038 4.503 ( -3.238 -4.695 0.000) 5.703 4.503 ( 3.238 -4.695 0.000) 5.703 4.849 ( -1.441 -3.344 0.000) 3.641 4.849 ( 1.441 -3.344 0.000) 3.641 5.146 ( -9.156 -4.341 0.000) 10.133 5.146 ( 9.156 -4.341 0.000) 10.133 5.531 ( -1.199 -4.293 0.000) 4.457 5.531 ( 1.199 -4.293 0.000) 4.457 12.267 ( -9.095 2.093 0.000) 9.333 12.267 ( 9.095 2.093 0.000) 9.333 13.201 ( -9.982 -9.931 0.000) 14.081 13.201 ( 9.982 -9.931 0.000) 14.081 14.116 ( -3.215 5.645 0.000) 6.497 14.116 ( 3.215 5.645 0.000) 6.497 14.435 ( -6.784 1.272 0.000) 6.902 14.435 ( 6.784 1.272 0.000) 6.902 15.428 ( -7.646 -0.282 0.000) 7.651 15.428 ( 7.646 -0.282 0.000) 7.651 15.754 ( -3.238 -4.960 0.000) 5.923 15.754 ( 3.238 -4.960 0.000) 5.923 26.565 ( -0.828 -1.428 0.000) 1.651 26.565 ( 0.828 -1.428 0.000) 1.651 26.636 ( -3.453 -1.918 0.000) 3.950 26.636 ( 3.453 -1.918 0.000) 3.950 28.212 ( -1.722 8.075 0.000) 8.257 28.212 ( 1.722 8.075 0.000) 8.257 28.421 ( -1.326 -0.918 0.000) 1.613 28.421 ( 1.326 -0.918 0.000) 1.613 28.693 ( -0.585 1.935 0.000) 2.022 28.693 ( 0.585 1.935 0.000) 2.022 28.891 ( -1.555 -3.041 0.000) 3.415 28.891 ( 1.555 -3.041 0.000) 3.415 54.236 ( -2.711 6.914 0.000) 7.426 54.236 ( 2.711 6.914 0.000) 7.426 54.539 ( -6.648 7.709 0.000) 10.180 54.539 ( 6.648 7.709 0.000) 10.180 55.242 ( -2.456 8.027 0.000) 8.395 55.242 ( 2.456 8.027 0.000) 8.395 55.287 ( -2.460 -9.797 0.000) 10.101 55.287 ( 2.460 -9.797 0.000) 10.101 56.667 ( -16.090 0.987 0.000) 16.120 56.667 ( 16.090 0.987 0.000) 16.120 57.175 ( -14.043 -9.289 0.000) 16.837 57.175 ( 14.043 -9.289 0.000) 16.837 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 0.000 21.349 0.000) 21.349 1.882 ( 0.000 28.739 0.000) 28.739 2.089 ( 0.000 24.925 0.000) 24.925 2.516 ( 0.000 4.230 0.000) 4.230 2.541 ( 0.000 -9.233 0.000) 9.233 2.608 ( 0.000 -10.993 0.000) 10.993 2.635 ( 0.000 -15.220 0.000) 15.220 2.690 ( 0.000 13.309 0.000) 13.309 2.942 ( 0.000 -11.800 0.000) 11.800 3.174 ( 0.000 4.485 0.000) 4.485 3.184 ( 0.000 18.807 0.000) 18.807 3.219 ( 0.000 -14.192 0.000) 14.192 4.167 ( 0.000 -0.932 0.000) 0.932 4.330 ( 0.000 9.884 0.000) 9.884 4.396 ( 0.000 -10.776 0.000) 10.776 4.539 ( 0.000 -11.480 0.000) 11.480 4.557 ( 0.000 4.479 0.000) 4.479 4.638 ( 0.000 7.357 0.000) 7.357 4.696 ( 0.000 3.345 0.000) 3.345 4.851 ( 0.000 -12.864 0.000) 12.864 5.020 ( 0.000 6.152 0.000) 6.152 5.259 ( 0.000 -7.132 0.000) 7.132 5.351 ( 0.000 -10.896 0.000) 10.896 5.457 ( 0.000 -2.339 0.000) 2.339 11.950 ( 0.000 5.194 0.000) 5.194 12.655 ( 0.000 -10.568 0.000) 10.568 12.670 ( 0.000 5.062 0.000) 5.062 13.332 ( 0.000 -12.114 0.000) 12.114 14.063 ( 0.000 4.776 0.000) 4.776 14.176 ( 0.000 0.843 0.000) 0.843 14.347 ( 0.000 7.061 0.000) 7.061 14.675 ( 0.000 0.227 0.000) 0.227 15.234 ( 0.000 2.484 0.000) 2.484 15.551 ( 0.000 -5.403 0.000) 5.403 15.698 ( 0.000 -2.306 0.000) 2.306 15.793 ( 0.000 -5.104 0.000) 5.104 26.469 ( 0.000 -0.440 0.000) 0.440 26.527 ( 0.000 0.303 0.000) 0.303 26.558 ( 0.000 -3.013 0.000) 3.013 26.692 ( 0.000 -3.246 0.000) 3.246 28.283 ( 0.000 5.879 0.000) 5.879 28.318 ( 0.000 4.195 0.000) 4.195 28.471 ( 0.000 0.085 0.000) 0.085 28.607 ( 0.000 0.500 0.000) 0.500 28.623 ( 0.000 2.478 0.000) 2.478 28.737 ( 0.000 0.638 0.000) 0.638 28.775 ( 0.000 -3.678 0.000) 3.678 28.886 ( 0.000 -3.427 0.000) 3.427 54.311 ( 0.000 0.582 0.000) 0.582 54.336 ( 0.000 -0.021 0.000) 0.021 54.484 ( 0.000 12.626 0.000) 12.626 54.956 ( 0.000 -11.788 0.000) 11.788 55.163 ( 0.000 -10.286 0.000) 10.286 55.248 ( 0.000 2.420 0.000) 2.420 55.273 ( 0.000 6.868 0.000) 6.868 55.656 ( 0.000 -4.096 0.000) 4.096 56.111 ( 0.000 0.549 0.000) 0.549 56.186 ( 0.000 -0.957 0.000) 0.957 57.315 ( 0.000 1.425 0.000) 1.425 57.550 ( 0.000 -3.704 0.000) 3.704 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.17 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 6.118 19.354 0.000) 20.298 1.572 ( -16.285 29.532 0.000) 33.724 2.234 ( -20.295 -8.882 0.000) 22.154 2.411 ( 6.335 12.915 0.000) 14.385 2.439 ( 1.686 6.564 0.000) 6.777 2.579 ( 3.235 -8.546 0.000) 9.138 2.744 ( 7.716 19.077 0.000) 20.578 2.843 ( -6.235 -8.309 0.000) 10.389 2.923 ( 12.374 -14.777 0.000) 19.274 3.116 ( -3.622 10.658 0.000) 11.257 3.228 ( 2.674 8.105 0.000) 8.535 3.416 ( 16.000 -15.570 0.000) 22.325 4.200 ( 2.941 -3.051 0.000) 4.237 4.225 ( -9.938 11.499 0.000) 15.198 4.400 ( -0.129 -9.235 0.000) 9.236 4.535 ( -2.641 3.710 0.000) 4.554 4.582 ( 2.815 -11.523 0.000) 11.862 4.635 ( -0.534 7.133 0.000) 7.153 4.715 ( 2.752 2.718 0.000) 3.868 4.814 ( -2.670 -9.270 0.000) 9.647 4.989 ( -2.905 5.028 0.000) 5.806 5.251 ( -1.205 -6.651 0.000) 6.760 5.364 ( 1.280 -10.410 0.000) 10.488 5.449 ( -0.629 -2.726 0.000) 2.797 12.005 ( 5.399 4.885 0.000) 7.281 12.626 ( -4.416 4.977 0.000) 6.654 12.699 ( 4.448 -10.566 0.000) 11.464 13.288 ( -4.466 -11.978 0.000) 12.784 14.089 ( 2.620 4.976 0.000) 5.624 14.217 ( 4.074 0.852 0.000) 4.162 14.335 ( -1.293 7.046 0.000) 7.164 14.649 ( -2.592 0.334 0.000) 2.613 15.254 ( 2.054 2.133 0.000) 2.961 15.562 ( 1.111 -5.475 0.000) 5.586 15.657 ( -4.070 -2.051 0.000) 4.557 15.771 ( -2.209 -5.248 0.000) 5.694 26.486 ( 1.650 -0.654 0.000) 1.775 26.529 ( 0.175 0.109 0.000) 0.207 26.557 ( -0.136 -2.780 0.000) 2.783 26.681 ( -1.156 -3.160 0.000) 3.365 28.292 ( 0.949 6.059 0.000) 6.133 28.330 ( 1.157 4.179 0.000) 4.336 28.465 ( -0.591 0.318 0.000) 0.671 28.542 ( -4.136 3.055 0.000) 5.142 28.666 ( 1.948 0.425 0.000) 1.993 28.733 ( -0.402 0.521 0.000) 0.658 28.780 ( 0.540 -3.646 0.000) 3.685 28.878 ( -0.870 -3.495 0.000) 3.601 54.301 ( -0.780 1.568 0.000) 1.751 54.328 ( -0.803 0.373 0.000) 0.885 54.522 ( 3.735 11.940 0.000) 12.510 54.970 ( 1.333 -12.094 0.000) 12.167 55.149 ( -1.306 -10.252 0.000) 10.335 55.194 ( -8.071 8.601 0.000) 11.795 55.263 ( 1.521 2.515 0.000) 2.939 55.554 ( -6.983 1.480 0.000) 7.138 56.184 ( 7.595 0.814 0.000) 7.638 56.358 ( 14.439 -5.892 0.000) 15.595 57.229 ( -8.626 1.556 0.000) 8.765 57.483 ( -6.819 -4.418 0.000) 8.125 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -3.308 22.849 0.000) 23.087 1.566 ( 3.042 11.761 0.000) 12.148 1.895 ( -10.517 2.152 0.000) 10.735 2.212 ( -12.790 10.014 0.000) 16.244 2.586 ( 3.470 0.612 0.000) 3.523 2.664 ( 4.604 -8.111 0.000) 9.327 2.736 ( -3.707 -1.434 0.000) 3.975 2.907 ( -1.087 9.173 0.000) 9.237 3.124 ( 8.201 -12.956 0.000) 15.334 3.165 ( 13.400 18.081 0.000) 22.505 3.285 ( 4.411 3.541 0.000) 5.656 3.744 ( 15.287 -15.037 0.000) 21.443 3.977 ( -13.846 13.313 0.000) 19.208 4.224 ( -2.198 -12.619 0.000) 12.810 4.425 ( 3.633 0.342 0.000) 3.649 4.467 ( -3.586 2.029 0.000) 4.120 4.533 ( -6.632 -8.553 0.000) 10.823 4.605 ( -2.738 6.349 0.000) 6.915 4.780 ( 2.151 0.596 0.000) 2.232 4.870 ( 9.185 -4.182 0.000) 10.092 4.918 ( -4.125 3.191 0.000) 5.216 5.192 ( -5.146 -5.712 0.000) 7.688 5.395 ( 1.770 -8.921 0.000) 9.095 5.439 ( -0.490 -4.356 0.000) 4.384 12.147 ( 8.846 4.466 0.000) 9.909 12.504 ( -7.919 4.734 0.000) 9.226 12.821 ( 7.944 -10.719 0.000) 13.342 13.165 ( -7.969 -11.604 0.000) 14.077 14.157 ( 4.058 5.544 0.000) 6.871 14.297 ( -2.578 6.841 0.000) 7.310 14.324 ( 6.551 0.863 0.000) 6.607 14.574 ( -5.108 0.586 0.000) 5.141 15.316 ( 4.430 1.149 0.000) 4.577 15.551 ( -6.447 -1.312 0.000) 6.579 15.595 ( 2.248 -5.623 0.000) 6.055 15.714 ( -3.384 -5.526 0.000) 6.480 26.526 ( 2.082 -1.226 0.000) 2.416 26.533 ( 0.293 -0.432 0.000) 0.522 26.556 ( 0.427 -2.160 0.000) 2.202 26.647 ( -2.304 -2.792 0.000) 3.620 28.319 ( 1.873 6.520 0.000) 6.784 28.357 ( 1.385 4.557 0.000) 4.763 28.448 ( -1.153 0.856 0.000) 1.436 28.463 ( -3.590 3.836 0.000) 5.254 28.695 ( 1.104 -0.024 0.000) 1.104 28.723 ( -0.577 0.254 0.000) 0.631 28.797 ( 1.160 -3.701 0.000) 3.879 28.854 ( -1.472 -3.645 0.000) 3.931 54.290 ( -0.283 2.438 0.000) 2.454 54.309 ( -1.033 1.343 0.000) 1.694 54.622 ( 6.518 11.616 0.000) 13.319 54.964 ( -7.505 0.021 0.000) 7.505 55.034 ( -1.542 0.175 0.000) 1.552 55.114 ( -2.221 -10.146 0.000) 10.386 55.305 ( 2.751 2.872 0.000) 3.977 55.444 ( -4.492 3.784 0.000) 5.874 56.395 ( 13.670 1.230 0.000) 13.726 56.673 ( 17.185 -8.588 0.000) 19.211 56.998 ( -14.520 1.700 0.000) 14.619 57.291 ( -12.735 -6.131 0.000) 14.134 ======================= Grid point 24 (16/96) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -9.223 9.919 0.000) 13.544 1.443 ( 9.223 9.919 0.000) 13.544 1.963 ( -11.755 12.366 0.000) 17.062 1.963 ( 11.755 12.366 0.000) 17.062 2.644 ( -3.109 -3.610 0.000) 4.765 2.644 ( 3.109 -3.610 0.000) 4.765 2.803 ( -6.645 2.326 0.000) 7.040 2.803 ( 6.645 2.326 0.000) 7.040 3.235 ( -2.985 -6.857 0.000) 7.479 3.235 ( 2.985 -6.857 0.000) 7.479 3.590 ( -19.813 17.926 0.000) 26.719 3.590 ( 19.813 17.926 0.000) 26.719 4.081 ( -12.468 -16.416 0.000) 20.614 4.081 ( 12.468 -16.416 0.000) 20.614 4.431 ( -0.921 -2.055 0.000) 2.252 4.431 ( 0.921 -2.055 0.000) 2.252 4.529 ( -4.822 5.335 0.000) 7.191 4.529 ( 4.822 5.335 0.000) 7.191 4.839 ( -3.779 1.867 0.000) 4.215 4.839 ( 3.779 1.867 0.000) 4.215 5.054 ( -8.794 -4.932 0.000) 10.083 5.054 ( 8.794 -4.932 0.000) 10.083 5.424 ( -1.103 -6.711 0.000) 6.801 5.424 ( 1.103 -6.711 0.000) 6.801 12.330 ( -9.616 4.462 0.000) 10.601 12.330 ( 9.616 4.462 0.000) 10.601 12.993 ( -9.308 -11.119 0.000) 14.501 12.993 ( 9.308 -11.119 0.000) 14.501 14.235 ( -3.760 6.284 0.000) 7.323 14.235 ( 3.760 6.284 0.000) 7.323 14.457 ( -6.780 0.798 0.000) 6.827 14.457 ( 6.780 0.798 0.000) 6.827 15.423 ( -6.374 -0.156 0.000) 6.376 15.423 ( 6.374 -0.156 0.000) 6.376 15.648 ( -3.207 -5.681 0.000) 6.523 15.648 ( 3.207 -5.681 0.000) 6.523 26.539 ( -0.202 -1.172 0.000) 1.189 26.539 ( 0.202 -1.172 0.000) 1.189 26.595 ( -2.862 -2.154 0.000) 3.582 26.595 ( 2.862 -2.154 0.000) 3.582 28.359 ( -1.687 6.762 0.000) 6.970 28.359 ( 1.687 6.762 0.000) 6.970 28.428 ( -0.388 1.545 0.000) 1.593 28.428 ( 0.388 1.545 0.000) 1.593 28.711 ( -0.686 0.022 0.000) 0.686 28.711 ( 0.686 0.022 0.000) 0.686 28.824 ( -1.582 -3.748 0.000) 4.069 28.824 ( 1.582 -3.748 0.000) 4.069 54.292 ( -0.553 2.262 0.000) 2.329 54.292 ( 0.553 2.262 0.000) 2.329 54.775 ( -9.225 11.221 0.000) 14.526 54.775 ( 9.225 11.221 0.000) 14.526 55.067 ( -2.501 -9.586 0.000) 9.907 55.067 ( 2.501 -9.586 0.000) 9.907 55.367 ( -3.582 3.449 0.000) 4.973 55.367 ( 3.582 3.449 0.000) 4.973 56.692 ( -16.290 1.589 0.000) 16.368 56.692 ( 16.290 1.589 0.000) 16.368 57.004 ( -16.422 -7.956 0.000) 18.248 57.004 ( 16.422 -7.956 0.000) 18.248 ======================= Grid point 28 (17/96) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.000 18.022 0.000) 18.022 2.335 ( 0.000 14.413 0.000) 14.413 2.346 ( 0.000 -13.859 0.000) 13.859 2.391 ( 0.000 -6.004 0.000) 6.004 2.393 ( 0.000 7.349 0.000) 7.349 2.423 ( 0.000 -7.482 0.000) 7.482 2.654 ( 0.000 12.644 0.000) 12.644 2.771 ( 0.000 -4.861 0.000) 4.861 2.954 ( 0.000 -12.302 0.000) 12.302 3.013 ( 0.000 14.098 0.000) 14.098 3.253 ( 0.000 6.629 0.000) 6.629 3.542 ( 0.000 16.198 0.000) 16.198 4.053 ( 0.000 -11.494 0.000) 11.494 4.182 ( 0.000 -10.790 0.000) 10.790 4.371 ( 0.000 -3.653 0.000) 3.653 4.495 ( 0.000 6.890 0.000) 6.890 4.590 ( 0.000 -13.065 0.000) 13.065 4.612 ( 0.000 0.979 0.000) 0.979 4.786 ( 0.000 6.091 0.000) 6.091 4.787 ( 0.000 7.913 0.000) 7.913 5.108 ( 0.000 -8.189 0.000) 8.189 5.134 ( 0.000 -11.023 0.000) 11.023 5.150 ( 0.000 6.982 0.000) 6.982 5.390 ( 0.000 -4.573 0.000) 4.573 12.074 ( 0.000 7.541 0.000) 7.541 12.444 ( 0.000 -10.849 0.000) 10.849 12.781 ( 0.000 6.454 0.000) 6.454 13.109 ( 0.000 -10.598 0.000) 10.598 14.142 ( 0.000 3.183 0.000) 3.183 14.189 ( 0.000 0.354 0.000) 0.354 14.484 ( 0.000 6.663 0.000) 6.663 14.660 ( 0.000 -1.911 0.000) 1.911 15.287 ( 0.000 3.025 0.000) 3.025 15.447 ( 0.000 -5.145 0.000) 5.145 15.662 ( 0.000 -1.235 0.000) 1.235 15.705 ( 0.000 -3.658 0.000) 3.658 26.464 ( 0.000 0.053 0.000) 0.053 26.506 ( 0.000 -2.212 0.000) 2.212 26.542 ( 0.000 1.247 0.000) 1.247 26.629 ( 0.000 -3.083 0.000) 3.083 28.387 ( 0.000 4.623 0.000) 4.623 28.413 ( 0.000 5.385 0.000) 5.385 28.475 ( 0.000 -0.049 0.000) 0.049 28.596 ( 0.000 -2.223 0.000) 2.223 28.661 ( 0.000 1.451 0.000) 1.451 28.710 ( 0.000 -2.465 0.000) 2.465 28.746 ( 0.000 0.501 0.000) 0.501 28.820 ( 0.000 -3.236 0.000) 3.236 54.369 ( 0.000 5.187 0.000) 5.187 54.383 ( 0.000 4.812 0.000) 4.812 54.614 ( 0.000 -1.198 0.000) 1.198 54.724 ( 0.000 -11.616 0.000) 11.616 55.059 ( 0.000 1.498 0.000) 1.498 55.247 ( 0.000 -2.477 0.000) 2.477 55.392 ( 0.000 5.417 0.000) 5.417 55.574 ( 0.000 -4.310 0.000) 4.310 56.125 ( 0.000 0.896 0.000) 0.896 56.166 ( 0.000 -1.089 0.000) 1.089 57.352 ( 0.000 2.424 0.000) 2.424 57.477 ( 0.000 -3.725 0.000) 3.725 ======================= Grid point 29 (18/96) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 1.758 15.425 0.000) 15.524 2.082 ( -14.929 21.332 0.000) 26.037 2.120 ( -11.682 -3.358 0.000) 12.155 2.419 ( 3.331 -6.786 0.000) 7.560 2.476 ( -1.292 -2.085 0.000) 2.452 2.630 ( -2.000 12.625 0.000) 12.783 2.637 ( 10.837 -13.903 0.000) 17.627 2.755 ( 0.501 0.241 0.000) 0.555 3.077 ( 3.225 5.013 0.000) 5.960 3.108 ( 13.296 -15.159 0.000) 20.164 3.310 ( 6.763 12.653 0.000) 14.347 3.445 ( -7.396 14.850 0.000) 16.590 4.026 ( -2.427 -11.824 0.000) 12.070 4.273 ( 5.926 -13.625 0.000) 14.858 4.382 ( 2.251 -0.058 0.000) 2.251 4.419 ( -7.327 8.239 0.000) 11.025 4.576 ( -3.631 0.283 0.000) 3.642 4.633 ( 4.547 -8.759 0.000) 9.869 4.779 ( -0.973 7.709 0.000) 7.770 4.806 ( 1.977 6.021 0.000) 6.337 5.060 ( -3.907 -2.359 0.000) 4.564 5.153 ( 1.950 -10.878 0.000) 11.051 5.155 ( -0.608 1.240 0.000) 1.381 5.374 ( -1.604 -5.014 0.000) 5.265 12.124 ( 5.026 7.377 0.000) 8.926 12.488 ( 4.519 -10.756 0.000) 11.667 12.737 ( -4.465 6.485 0.000) 7.873 13.066 ( -4.311 -10.579 0.000) 11.424 14.173 ( 3.091 3.453 0.000) 4.634 14.229 ( 3.966 0.225 0.000) 3.973 14.470 ( -1.475 6.523 0.000) 6.688 14.638 ( -2.294 -1.712 0.000) 2.862 15.300 ( 1.455 2.786 0.000) 3.143 15.457 ( 1.022 -5.165 0.000) 5.265 15.626 ( -3.553 -0.969 0.000) 3.683 15.679 ( -2.544 -3.880 0.000) 4.640 26.477 ( 1.220 -0.175 0.000) 1.233 26.509 ( 0.326 -1.971 0.000) 1.998 26.539 ( -0.211 1.054 0.000) 1.075 26.621 ( -0.903 -2.940 0.000) 3.075 28.397 ( 1.082 4.586 0.000) 4.712 28.422 ( 0.865 5.148 0.000) 5.221 28.476 ( 0.038 0.343 0.000) 0.345 28.577 ( -1.861 -0.196 0.000) 1.871 28.666 ( 0.514 -0.081 0.000) 0.520 28.715 ( 0.455 -2.596 0.000) 2.635 28.738 ( -0.726 0.305 0.000) 0.787 28.810 ( -0.992 -3.292 0.000) 3.438 54.369 ( -0.035 5.485 0.000) 5.485 54.381 ( -0.192 5.097 0.000) 5.100 54.637 ( 2.280 -2.419 0.000) 3.325 54.732 ( 0.771 -11.894 0.000) 11.919 55.056 ( -0.206 2.593 0.000) 2.601 55.263 ( 1.587 -2.543 0.000) 2.997 55.341 ( -4.970 6.654 0.000) 8.305 55.535 ( -3.450 -2.900 0.000) 4.507 56.204 ( 8.015 1.207 0.000) 8.105 56.276 ( 10.551 -2.967 0.000) 10.960 57.268 ( -8.470 2.507 0.000) 8.833 57.400 ( -7.843 -4.109 0.000) 8.854 ======================= Grid point 30 (19/96) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -4.055 10.589 0.000) 11.339 1.832 ( -9.880 22.685 0.000) 24.743 2.026 ( 3.397 7.040 0.000) 7.817 2.361 ( -9.013 0.957 0.000) 9.064 2.485 ( 3.020 -6.833 0.000) 7.471 2.586 ( -2.486 4.502 0.000) 5.143 2.807 ( 6.704 -0.043 0.000) 6.704 2.844 ( 8.864 -7.066 0.000) 11.336 3.064 ( -3.909 -2.304 0.000) 4.538 3.229 ( -10.339 5.914 0.000) 11.911 3.401 ( 15.597 -18.396 0.000) 24.119 3.579 ( 14.084 14.779 0.000) 20.415 3.952 ( -5.055 -11.346 0.000) 12.421 4.229 ( -11.915 11.330 0.000) 16.442 4.318 ( 1.077 -12.256 0.000) 12.304 4.481 ( -5.777 -1.305 0.000) 5.923 4.504 ( 8.063 5.729 0.000) 9.892 4.739 ( -3.405 7.234 0.000) 7.995 4.755 ( 7.078 -5.358 0.000) 8.877 4.868 ( 4.736 5.511 0.000) 7.266 4.972 ( -4.905 -0.308 0.000) 4.915 5.107 ( -4.386 -0.375 0.000) 4.402 5.207 ( 3.375 -10.160 0.000) 10.706 5.332 ( -2.601 -6.475 0.000) 6.978 12.259 ( 8.543 7.025 0.000) 11.060 12.612 ( 7.886 -10.585 0.000) 13.200 12.614 ( -7.994 6.565 0.000) 10.345 12.947 ( -7.710 -10.526 0.000) 13.048 14.254 ( 4.886 4.179 0.000) 6.429 14.333 ( 6.357 -0.093 0.000) 6.358 14.425 ( -3.119 6.033 0.000) 6.791 14.570 ( -4.671 -1.190 0.000) 4.821 15.346 ( 3.309 2.048 0.000) 3.892 15.488 ( 2.215 -5.140 0.000) 5.597 15.535 ( -5.464 -0.207 0.000) 5.468 15.615 ( -3.783 -4.399 0.000) 5.802 26.507 ( 1.522 -0.689 0.000) 1.671 26.520 ( 1.036 -1.423 0.000) 1.761 26.533 ( -0.406 0.503 0.000) 0.646 26.595 ( -1.729 -2.487 0.000) 3.029 28.428 ( 2.036 4.410 0.000) 4.858 28.443 ( 1.195 4.424 0.000) 4.582 28.474 ( -0.231 1.439 0.000) 1.458 28.530 ( -2.782 2.243 0.000) 3.574 28.681 ( 0.955 -1.097 0.000) 1.455 28.720 ( -1.055 -0.237 0.000) 1.082 28.727 ( 0.896 -3.111 0.000) 3.237 28.784 ( -1.621 -3.418 0.000) 3.783 54.369 ( 0.072 5.985 0.000) 5.985 54.376 ( -0.261 5.697 0.000) 5.703 54.693 ( 3.098 -6.215 0.000) 6.944 54.747 ( 0.489 -12.314 0.000) 12.324 55.060 ( 0.942 6.041 0.000) 6.114 55.220 ( -6.721 9.437 0.000) 11.586 55.308 ( 3.025 -2.582 0.000) 3.977 55.458 ( -4.217 -2.108 0.000) 4.714 56.424 ( 14.187 1.812 0.000) 14.302 56.542 ( 16.138 -5.019 0.000) 16.900 57.039 ( -14.538 2.570 0.000) 14.763 57.183 ( -14.103 -4.932 0.000) 14.941 ======================= Grid point 31 (20/96) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -1.111 17.339 0.000) 17.374 1.723 ( 1.111 17.339 0.000) 17.374 2.171 ( -9.703 5.535 0.000) 11.171 2.171 ( 9.703 5.535 0.000) 11.171 2.537 ( -2.531 -2.666 0.000) 3.676 2.537 ( 2.531 -2.666 0.000) 3.676 2.949 ( -7.338 1.773 0.000) 7.549 2.949 ( 7.338 1.773 0.000) 7.549 3.029 ( -10.005 -3.650 0.000) 10.650 3.029 ( 10.005 -3.650 0.000) 10.650 3.665 ( -9.295 -16.807 0.000) 19.206 3.665 ( 9.295 -16.807 0.000) 19.206 3.982 ( -11.677 12.915 0.000) 17.411 3.982 ( 11.677 12.915 0.000) 17.411 4.374 ( -4.677 -4.822 0.000) 6.717 4.374 ( 4.677 -4.822 0.000) 6.717 4.645 ( -6.168 6.621 0.000) 9.049 4.645 ( 6.168 6.621 0.000) 9.049 4.874 ( -5.283 -1.332 0.000) 5.448 4.874 ( 5.283 -1.332 0.000) 5.448 4.991 ( -7.109 1.313 0.000) 7.229 4.991 ( 7.109 1.313 0.000) 7.229 5.274 ( -3.349 -8.528 0.000) 9.162 5.274 ( 3.349 -8.528 0.000) 9.162 12.439 ( -9.573 6.726 0.000) 11.699 12.439 ( 9.573 6.726 0.000) 11.699 12.780 ( -9.083 -10.500 0.000) 13.884 12.780 ( 9.083 -10.500 0.000) 13.884 14.349 ( -4.626 5.162 0.000) 6.931 14.349 ( 4.626 5.162 0.000) 6.931 14.460 ( -6.436 -0.577 0.000) 6.462 14.460 ( 6.436 -0.577 0.000) 6.462 15.429 ( -5.101 0.919 0.000) 5.183 15.429 ( 5.101 0.919 0.000) 5.183 15.543 ( -3.402 -4.897 0.000) 5.963 15.543 ( 3.402 -4.897 0.000) 5.963 26.524 ( -0.574 -0.279 0.000) 0.638 26.524 ( 0.574 -0.279 0.000) 0.638 26.556 ( -2.160 -1.783 0.000) 2.801 26.556 ( 2.160 -1.783 0.000) 2.801 28.463 ( -0.567 3.528 0.000) 3.573 28.463 ( 0.567 3.528 0.000) 3.573 28.476 ( -2.444 3.222 0.000) 4.044 28.476 ( 2.444 3.222 0.000) 4.044 28.700 ( -1.006 -0.860 0.000) 1.323 28.700 ( 1.006 -0.860 0.000) 1.323 28.752 ( -1.567 -3.462 0.000) 3.800 28.752 ( 1.567 -3.462 0.000) 3.800 54.372 ( -0.205 6.102 0.000) 6.106 54.372 ( 0.205 6.102 0.000) 6.106 54.740 ( -1.415 -10.905 0.000) 10.996 54.740 ( 1.415 -10.905 0.000) 10.996 55.108 ( -4.297 9.885 0.000) 10.779 55.108 ( 4.297 9.885 0.000) 10.779 55.377 ( -4.008 -2.362 0.000) 4.653 55.377 ( 4.008 -2.362 0.000) 4.653 56.730 ( -16.619 2.348 0.000) 16.784 56.730 ( 16.619 2.348 0.000) 16.784 56.873 ( -17.203 -5.496 0.000) 18.060 56.873 ( 17.203 -5.496 0.000) 18.060 ======================= Grid point 35 (21/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.000 -14.422 0.000) 14.422 2.076 ( 0.000 14.422 0.000) 14.422 2.338 ( 0.000 -0.830 0.000) 0.830 2.338 ( 0.000 0.830 0.000) 0.830 2.450 ( 0.000 -0.591 0.000) 0.591 2.450 ( 0.000 0.591 0.000) 0.591 2.774 ( 0.000 -5.250 0.000) 5.250 2.774 ( 0.000 5.250 0.000) 5.250 2.960 ( 0.000 -13.937 0.000) 13.937 2.960 ( 0.000 13.937 0.000) 13.937 3.570 ( 0.000 -17.072 0.000) 17.072 3.570 ( 0.000 17.072 0.000) 17.072 3.979 ( 0.000 -9.103 0.000) 9.103 3.979 ( 0.000 9.103 0.000) 9.103 4.394 ( 0.000 -5.888 0.000) 5.888 4.394 ( 0.000 5.888 0.000) 5.888 4.592 ( 0.000 -3.008 0.000) 3.008 4.592 ( 0.000 3.008 0.000) 3.008 4.935 ( 0.000 -9.131 0.000) 9.131 4.935 ( 0.000 9.131 0.000) 9.131 4.946 ( 0.000 -8.366 0.000) 8.366 4.946 ( 0.000 8.366 0.000) 8.366 5.282 ( 0.000 -6.384 0.000) 6.384 5.282 ( 0.000 6.384 0.000) 6.384 12.242 ( 0.000 -9.641 0.000) 9.641 12.242 ( 0.000 9.641 0.000) 9.641 12.924 ( 0.000 -8.356 0.000) 8.356 12.924 ( 0.000 8.356 0.000) 8.356 14.184 ( 0.000 -1.078 0.000) 1.078 14.184 ( 0.000 1.078 0.000) 1.078 14.596 ( 0.000 -4.655 0.000) 4.655 14.596 ( 0.000 4.655 0.000) 4.655 15.356 ( 0.000 -4.143 0.000) 4.143 15.356 ( 0.000 4.143 0.000) 4.143 15.658 ( 0.000 -1.056 0.000) 1.056 15.658 ( 0.000 1.056 0.000) 1.056 26.474 ( 0.000 -1.043 0.000) 1.043 26.474 ( 0.000 1.043 0.000) 1.043 26.576 ( 0.000 -2.304 0.000) 2.304 26.576 ( 0.000 2.304 0.000) 2.304 28.455 ( 0.000 -2.240 0.000) 2.240 28.455 ( 0.000 2.240 0.000) 2.240 28.518 ( 0.000 -5.177 0.000) 5.177 28.518 ( 0.000 5.177 0.000) 5.177 28.682 ( 0.000 -0.867 0.000) 0.867 28.682 ( 0.000 0.867 0.000) 0.867 28.768 ( 0.000 -1.944 0.000) 1.944 28.768 ( 0.000 1.944 0.000) 1.944 54.500 ( 0.000 -7.686 0.000) 7.686 54.500 ( 0.000 7.686 0.000) 7.686 54.519 ( 0.000 -9.028 0.000) 9.028 54.519 ( 0.000 9.028 0.000) 9.028 55.159 ( 0.000 -6.117 0.000) 6.117 55.159 ( 0.000 6.117 0.000) 6.117 55.488 ( 0.000 -4.601 0.000) 4.601 55.488 ( 0.000 4.601 0.000) 4.601 56.145 ( 0.000 -1.075 0.000) 1.075 56.145 ( 0.000 1.075 0.000) 1.075 57.408 ( 0.000 -3.259 0.000) 3.259 57.408 ( 0.000 3.259 0.000) 3.259 ======================= Grid point 37 (22/96) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -3.628 -8.603 0.000) 9.336 2.021 ( -3.628 8.603 0.000) 9.336 2.371 ( -7.385 -9.091 0.000) 11.713 2.371 ( -7.385 9.091 0.000) 11.713 2.414 ( 6.113 -7.396 0.000) 9.595 2.414 ( 6.113 7.396 0.000) 9.595 2.858 ( 8.179 -9.801 0.000) 12.766 2.858 ( 8.179 9.801 0.000) 12.766 2.920 ( -3.894 -15.131 0.000) 15.624 2.920 ( -3.894 15.131 0.000) 15.624 3.583 ( -0.304 -8.490 0.000) 8.495 3.583 ( -0.304 8.490 0.000) 8.495 3.967 ( 0.528 -12.134 0.000) 12.146 3.967 ( 0.528 12.134 0.000) 12.146 4.475 ( 7.248 -7.141 0.000) 10.175 4.475 ( 7.248 7.141 0.000) 10.175 4.540 ( -5.157 -4.070 0.000) 6.569 4.540 ( -5.157 4.070 0.000) 6.569 4.932 ( -1.564 -7.822 0.000) 7.977 4.932 ( -1.564 7.822 0.000) 7.977 4.955 ( 2.045 -9.168 0.000) 9.393 4.955 ( 2.045 9.168 0.000) 9.393 5.260 ( -2.244 -6.416 0.000) 6.798 5.260 ( -2.244 6.416 0.000) 6.798 12.289 ( 4.743 -9.501 0.000) 10.619 12.289 ( 4.743 9.501 0.000) 10.619 12.881 ( -4.361 -8.414 0.000) 9.477 12.881 ( -4.361 8.414 0.000) 9.477 14.220 ( 3.604 -1.328 0.000) 3.841 14.220 ( 3.604 1.328 0.000) 3.841 14.578 ( -1.859 -4.433 0.000) 4.807 14.578 ( -1.859 4.433 0.000) 4.807 15.366 ( 1.105 -4.047 0.000) 4.195 15.366 ( 1.105 4.047 0.000) 4.195 15.628 ( -3.024 -1.324 0.000) 3.301 15.628 ( -3.024 1.324 0.000) 3.301 26.482 ( 0.780 -0.809 0.000) 1.123 26.482 ( 0.780 0.809 0.000) 1.123 26.571 ( -0.579 -2.130 0.000) 2.208 26.571 ( -0.579 2.130 0.000) 2.208 28.463 ( 0.763 -1.968 0.000) 2.111 28.463 ( 0.763 1.968 0.000) 2.111 28.521 ( 0.201 -4.708 0.000) 4.712 28.521 ( 0.201 4.708 0.000) 4.712 28.680 ( -0.168 -1.327 0.000) 1.338 28.680 ( -0.168 1.327 0.000) 1.338 28.758 ( -1.013 -1.888 0.000) 2.143 28.758 ( -1.013 1.888 0.000) 2.143 54.506 ( 0.594 -8.179 0.000) 8.200 54.506 ( 0.594 8.179 0.000) 8.200 54.523 ( 0.295 -9.289 0.000) 9.294 54.523 ( 0.295 9.289 0.000) 9.294 55.171 ( 1.252 -6.490 0.000) 6.610 55.171 ( 1.252 6.490 0.000) 6.610 55.455 ( -3.215 -5.083 0.000) 6.015 55.455 ( -3.215 5.083 0.000) 6.015 56.232 ( 8.768 -1.729 0.000) 8.937 56.232 ( 8.768 1.729 0.000) 8.937 57.326 ( -8.300 -3.411 0.000) 8.973 57.326 ( -8.300 3.411 0.000) 8.973 ======================= Grid point 39 (23/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.631 -10.086 0.000) 10.106 1.987 ( 0.631 10.086 0.000) 10.106 2.202 ( -8.995 -14.563 0.000) 17.117 2.202 ( -8.995 14.563 0.000) 17.117 2.543 ( 6.968 -11.914 0.000) 13.803 2.543 ( 6.968 11.914 0.000) 13.803 2.818 ( -6.419 -15.711 0.000) 16.972 2.818 ( -6.419 15.711 0.000) 16.972 3.064 ( 12.240 -15.514 0.000) 19.762 3.064 ( 12.240 15.514 0.000) 19.762 3.503 ( -7.904 -15.625 0.000) 17.511 3.503 ( -7.904 15.625 0.000) 17.511 4.050 ( 7.642 -14.615 0.000) 16.492 4.050 ( 7.642 14.615 0.000) 16.492 4.405 ( -8.458 -6.553 0.000) 10.700 4.405 ( -8.458 6.553 0.000) 10.700 4.633 ( 8.239 -6.844 0.000) 10.711 4.633 ( 8.239 6.844 0.000) 10.711 4.879 ( -3.959 -6.922 0.000) 7.974 4.879 ( -3.959 6.922 0.000) 7.974 5.015 ( 4.098 -9.122 0.000) 10.000 5.015 ( 4.098 9.122 0.000) 10.000 5.197 ( -4.131 -6.939 0.000) 8.076 5.197 ( -4.131 6.939 0.000) 8.076 12.418 ( 8.164 -9.169 0.000) 12.277 12.418 ( 8.164 9.169 0.000) 12.277 12.761 ( -7.807 -8.571 0.000) 11.594 12.761 ( -7.807 8.571 0.000) 11.594 14.314 ( 5.757 -1.956 0.000) 6.081 14.314 ( 5.757 1.956 0.000) 6.081 14.522 ( -3.916 -3.780 0.000) 5.443 14.522 ( -3.916 3.780 0.000) 5.443 15.401 ( 2.533 -3.679 0.000) 4.467 15.401 ( 2.533 3.679 0.000) 4.467 15.551 ( -4.517 -2.043 0.000) 4.957 15.551 ( -4.517 2.043 0.000) 4.957 26.503 ( 1.290 -0.343 0.000) 1.335 26.503 ( 1.290 0.343 0.000) 1.335 26.554 ( -1.092 -1.618 0.000) 1.952 26.554 ( -1.092 1.618 0.000) 1.952 28.483 ( 1.240 -1.070 0.000) 1.638 28.483 ( 1.240 1.070 0.000) 1.638 28.521 ( -0.320 -3.058 0.000) 3.075 28.521 ( -0.320 3.058 0.000) 3.075 28.681 ( 0.474 -1.501 0.000) 1.574 28.681 ( 0.474 1.501 0.000) 1.574 28.731 ( -1.608 -1.697 0.000) 2.338 28.731 ( -1.608 1.697 0.000) 2.338 54.520 ( 0.663 -9.204 0.000) 9.228 54.520 ( 0.663 9.204 0.000) 9.228 54.528 ( 0.223 -9.772 0.000) 9.774 54.528 ( 0.223 9.772 0.000) 9.774 55.210 ( 2.861 -7.172 0.000) 7.721 55.210 ( 2.861 7.172 0.000) 7.721 55.374 ( -4.800 -6.293 0.000) 7.914 55.374 ( -4.800 6.293 0.000) 7.914 56.468 ( 14.988 -2.845 0.000) 15.256 56.468 ( 14.988 2.845 0.000) 15.256 57.100 ( -14.533 -3.642 0.000) 14.982 57.100 ( -14.533 3.642 0.000) 14.982 ======================= Grid point 41 (24/96) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( -5.940 -14.584 0.000) 15.747 2.052 ( 5.940 -14.584 0.000) 15.747 2.052 ( -5.940 14.584 0.000) 15.747 2.052 ( 5.940 14.584 0.000) 15.747 2.682 ( -7.284 -14.584 0.000) 16.302 2.682 ( 7.284 -14.584 0.000) 16.302 2.682 ( -7.284 14.584 0.000) 16.302 2.682 ( 7.284 14.584 0.000) 16.302 3.304 ( -11.903 -18.249 0.000) 21.787 3.304 ( 11.903 -18.249 0.000) 21.787 3.304 ( -11.903 18.249 0.000) 21.787 3.304 ( 11.903 18.249 0.000) 21.787 4.225 ( -9.651 -10.443 0.000) 14.220 4.225 ( 9.651 -10.443 0.000) 14.220 4.225 ( -9.651 10.443 0.000) 14.220 4.225 ( 9.651 10.443 0.000) 14.220 4.777 ( -6.470 -6.612 0.000) 9.251 4.777 ( 6.470 -6.612 0.000) 9.251 4.777 ( -6.470 6.612 0.000) 9.251 4.777 ( 6.470 6.612 0.000) 9.251 5.106 ( -4.992 -8.246 0.000) 9.639 5.106 ( 4.992 -8.246 0.000) 9.639 5.106 ( -4.992 8.246 0.000) 9.639 5.106 ( 4.992 8.246 0.000) 9.639 12.591 ( -9.274 -8.824 0.000) 12.801 12.591 ( 9.274 -8.824 0.000) 12.801 12.591 ( -9.274 8.824 0.000) 12.801 12.591 ( 9.274 8.824 0.000) 12.801 14.428 ( -5.646 -2.846 0.000) 6.323 14.428 ( 5.646 -2.846 0.000) 6.323 14.428 ( -5.646 2.846 0.000) 6.323 14.428 ( 5.646 2.846 0.000) 6.323 15.465 ( -4.035 -2.953 0.000) 5.001 15.465 ( 4.035 -2.953 0.000) 5.001 15.465 ( -4.035 2.953 0.000) 5.001 15.465 ( 4.036 2.953 0.000) 5.001 26.530 ( -1.384 -0.862 0.000) 1.630 26.530 ( 1.384 -0.862 0.000) 1.630 26.530 ( -1.384 0.862 0.000) 1.630 26.530 ( 1.384 0.862 0.000) 1.630 28.507 ( -1.111 -0.710 0.000) 1.318 28.507 ( 1.111 -0.710 0.000) 1.318 28.507 ( -1.111 0.710 0.000) 1.318 28.507 ( 1.111 0.710 0.000) 1.318 28.700 ( -1.421 -1.426 0.000) 2.013 28.700 ( 1.421 -1.426 0.000) 2.013 28.700 ( -1.421 1.426 0.000) 2.013 28.700 ( 1.421 1.426 0.000) 2.013 54.529 ( -0.225 -9.867 0.000) 9.869 54.529 ( 0.225 -9.867 0.000) 9.869 54.529 ( -0.225 9.867 0.000) 9.869 54.529 ( 0.225 9.867 0.000) 9.869 55.282 ( -4.415 -7.230 0.000) 8.472 55.282 ( 4.415 -7.230 0.000) 8.472 55.282 ( -4.415 7.230 0.000) 8.472 55.282 ( 4.415 7.230 0.000) 8.472 56.786 ( -17.038 -3.540 0.000) 17.402 56.786 ( -17.038 3.540 0.000) 17.402 56.786 ( 17.038 -3.540 0.000) 17.402 56.786 ( 17.038 3.540 0.000) 17.402 ======================= Grid point 77 (25/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 0.000 0.000 22.633) 22.633 0.547 ( 0.000 0.000 25.225) 25.225 0.986 ( 0.000 0.000 44.844) 44.844 2.208 ( 0.000 0.000 -5.788) 5.788 2.329 ( 0.000 0.000 4.036) 4.036 2.709 ( 0.000 0.000 8.124) 8.124 2.961 ( 0.000 0.000 -5.339) 5.339 2.971 ( 0.000 0.000 4.691) 4.691 3.181 ( 0.000 0.000 0.404) 0.404 3.243 ( 0.000 0.000 0.268) 0.268 3.432 ( 0.000 0.000 2.021) 2.021 3.763 ( 0.000 0.000 1.600) 1.600 3.940 ( 0.000 0.000 -0.706) 0.706 4.100 ( 0.000 0.000 -0.106) 0.106 4.237 ( 0.000 0.000 -4.325) 4.325 4.251 ( 0.000 0.000 -1.761) 1.761 4.473 ( 0.000 0.000 4.244) 4.244 4.561 ( 0.000 0.000 -5.019) 5.019 4.770 ( 0.000 0.000 2.239) 2.239 4.898 ( 0.000 0.000 -1.631) 1.631 5.404 ( 0.000 0.000 -4.526) 4.526 5.477 ( 0.000 0.000 -4.035) 4.035 5.480 ( 0.000 0.000 -6.874) 6.874 5.684 ( 0.000 0.000 -3.872) 3.872 11.847 ( 0.000 0.000 2.958) 2.958 12.457 ( 0.000 0.000 -5.862) 5.862 13.103 ( 0.000 0.000 6.576) 6.576 13.796 ( 0.000 0.000 -2.919) 2.919 13.866 ( 0.000 0.000 0.858) 0.858 14.069 ( 0.000 0.000 -0.727) 0.727 14.173 ( 0.000 0.000 3.113) 3.113 14.608 ( 0.000 0.000 -1.789) 1.789 15.159 ( 0.000 0.000 3.088) 3.088 15.688 ( 0.000 0.000 -4.042) 4.042 15.834 ( 0.000 0.000 2.301) 2.301 15.991 ( 0.000 0.000 -0.374) 0.374 26.533 ( 0.000 0.000 -0.267) 0.267 26.600 ( 0.000 0.000 -4.518) 4.518 26.923 ( 0.000 0.000 7.455) 7.455 27.313 ( 0.000 0.000 -0.583) 0.583 27.957 ( 0.000 0.000 1.237) 1.237 28.032 ( 0.000 0.000 -0.525) 0.525 28.238 ( 0.000 0.000 1.151) 1.151 28.497 ( 0.000 0.000 0.915) 0.915 28.558 ( 0.000 0.000 -0.733) 0.733 28.627 ( 0.000 0.000 -4.804) 4.804 28.935 ( 0.000 0.000 2.674) 2.674 29.003 ( 0.000 0.000 -0.243) 0.243 53.847 ( 0.000 0.000 5.313) 5.313 53.925 ( 0.000 0.000 4.692) 4.692 54.654 ( 0.000 0.000 5.821) 5.821 54.817 ( 0.000 0.000 -2.114) 2.114 54.835 ( 0.000 0.000 -2.156) 2.156 55.336 ( 0.000 0.000 -1.822) 1.822 55.625 ( 0.000 0.000 0.005) 0.005 55.731 ( 0.000 0.000 -0.770) 0.770 56.115 ( 0.000 0.000 0.642) 0.642 56.212 ( 0.000 0.000 -0.443) 0.443 57.304 ( 0.000 0.000 1.362) 1.362 57.659 ( 0.000 0.000 -2.143) 2.143 ======================= Grid point 78 (26/96) ======================= q-point: ( 0.17 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( 26.375 0.000 13.272) 29.526 0.890 ( 23.221 0.000 18.976) 29.989 1.211 ( 23.988 0.000 32.813) 40.646 2.248 ( -8.308 0.000 8.649) 11.993 2.277 ( 6.880 0.000 -5.629) 8.890 2.733 ( 3.250 0.000 1.394) 3.536 2.906 ( -19.893 0.000 1.948) 19.988 2.928 ( -1.317 0.000 -2.046) 2.434 3.034 ( 3.098 0.000 3.299) 4.526 3.232 ( -7.070 0.000 -1.564) 7.241 3.356 ( -7.230 0.000 3.620) 8.086 3.729 ( -15.794 0.000 1.492) 15.864 3.867 ( 9.252 0.000 1.851) 9.435 4.258 ( 6.364 0.000 -6.855) 9.353 4.301 ( 4.999 0.000 -3.860) 6.316 4.369 ( 7.832 0.000 -5.540) 9.593 4.463 ( -0.383 0.000 4.025) 4.044 4.619 ( 6.083 0.000 -7.763) 9.862 4.853 ( 7.861 0.000 1.815) 8.068 4.871 ( -2.807 0.000 -1.622) 3.242 5.267 ( -11.004 0.000 -2.960) 11.395 5.420 ( 1.457 0.000 -4.846) 5.061 5.530 ( -1.241 0.000 -2.008) 2.361 5.668 ( -1.513 0.000 -3.315) 3.644 11.954 ( 7.724 0.000 -1.124) 7.805 12.426 ( -2.750 0.000 -4.286) 5.092 13.137 ( 3.661 0.000 5.188) 6.349 13.746 ( -5.090 0.000 -2.671) 5.749 13.890 ( 2.314 0.000 0.988) 2.516 14.074 ( 0.027 0.000 0.308) 0.310 14.195 ( 2.616 0.000 1.952) 3.264 14.583 ( -2.587 0.000 -1.533) 3.007 15.192 ( 3.408 0.000 2.691) 4.342 15.679 ( -1.659 0.000 -3.758) 4.107 15.808 ( -1.789 0.000 2.223) 2.854 15.972 ( -1.944 0.000 -0.437) 1.993 26.515 ( -1.399 0.000 -0.334) 1.438 26.596 ( -0.590 0.000 -4.156) 4.198 26.884 ( -4.718 0.000 11.317) 12.261 27.011 ( -12.346 0.000 14.176) 18.799 27.963 ( 0.559 0.000 1.138) 1.268 28.028 ( -0.452 0.000 -0.384) 0.593 28.381 ( 6.848 0.000 -6.116) 9.181 28.501 ( 0.417 0.000 0.780) 0.885 28.554 ( -0.408 0.000 -0.643) 0.762 28.601 ( -2.069 0.000 -3.495) 4.061 28.936 ( 0.473 0.000 2.410) 2.456 29.011 ( 0.087 0.000 0.250) 0.264 53.852 ( 0.526 0.000 5.273) 5.299 53.920 ( -0.528 0.000 4.735) 4.765 54.670 ( 1.629 0.000 5.909) 6.130 54.818 ( 0.118 0.000 -2.118) 2.122 54.833 ( -0.114 0.000 -2.154) 2.157 55.165 ( -19.647 0.000 16.128) 25.419 55.390 ( 1.088 0.000 1.681) 2.003 55.617 ( -1.583 0.000 0.407) 1.635 56.182 ( 6.859 0.000 0.768) 6.902 56.744 ( 22.048 0.000 -19.834) 29.657 57.222 ( -7.846 0.000 1.539) 7.996 57.624 ( -3.710 0.000 -2.742) 4.613 ======================= Grid point 79 (27/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 19.553 0.000 21.185) 28.830 1.370 ( 29.505 0.000 7.160) 30.361 1.792 ( 27.058 0.000 14.211) 30.563 2.038 ( -8.217 0.000 13.167) 15.521 2.410 ( -9.259 0.000 -2.746) 9.658 2.521 ( -3.706 0.000 0.967) 3.830 2.789 ( -3.990 0.000 -7.681) 8.656 2.924 ( 4.052 0.000 2.336) 4.677 3.018 ( -13.565 0.000 -2.682) 13.828 3.071 ( 0.898 0.000 5.100) 5.178 3.176 ( -9.486 0.000 6.677) 11.600 3.404 ( -16.058 0.000 1.819) 16.161 4.059 ( 9.609 0.000 1.876) 9.790 4.328 ( -3.107 0.000 0.409) 3.133 4.350 ( 3.841 0.000 -6.334) 7.407 4.441 ( 0.409 0.000 -3.884) 3.905 4.523 ( 6.788 0.000 -0.027) 6.788 4.759 ( 7.495 0.000 -9.017) 11.725 4.791 ( -5.359 0.000 -1.578) 5.587 4.990 ( 1.016 0.000 -0.772) 1.276 5.138 ( 1.497 0.000 -3.517) 3.822 5.413 ( -4.396 0.000 -2.279) 4.951 5.508 ( 1.574 0.000 -2.439) 2.903 5.627 ( -2.673 0.000 -3.634) 4.511 12.099 ( 7.310 0.000 -0.694) 7.343 12.352 ( -4.943 0.000 -2.110) 5.375 13.248 ( 7.649 0.000 2.148) 7.945 13.607 ( -8.797 0.000 -1.902) 9.001 13.948 ( 3.379 0.000 1.321) 3.628 14.058 ( -1.689 0.000 1.566) 2.304 14.278 ( 5.606 0.000 0.313) 5.614 14.509 ( -4.976 0.000 -0.990) 5.073 15.290 ( 6.596 0.000 1.730) 6.819 15.593 ( -6.945 0.000 -1.237) 7.055 15.805 ( 1.621 0.000 0.300) 1.649 15.920 ( -3.206 0.000 -0.555) 3.254 26.503 ( 0.449 0.000 -1.254) 1.332 26.571 ( -1.959 0.000 -3.647) 4.140 26.813 ( -0.697 0.000 12.934) 12.953 26.898 ( -3.471 0.000 8.988) 9.635 27.978 ( 0.934 0.000 0.856) 1.267 28.015 ( -0.827 0.000 -0.018) 0.827 28.469 ( 3.080 0.000 -4.943) 5.824 28.512 ( 0.725 0.000 0.433) 0.844 28.543 ( -0.715 0.000 -0.385) 0.812 28.560 ( -2.087 0.000 -3.229) 3.845 28.953 ( 1.190 0.000 1.939) 2.275 29.001 ( -0.922 0.000 1.111) 1.444 53.867 ( 0.912 0.000 5.162) 5.242 53.906 ( -0.914 0.000 4.852) 4.937 54.717 ( 3.222 0.000 6.469) 7.226 54.822 ( 0.203 0.000 -2.128) 2.138 54.830 ( -0.200 0.000 -2.149) 2.158 54.916 ( -8.176 0.000 11.877) 14.419 55.446 ( 3.560 0.000 -0.248) 3.569 55.575 ( -2.686 0.000 -0.034) 2.687 56.375 ( 12.753 0.000 0.958) 12.789 56.924 ( -8.481 0.000 -4.294) 9.506 57.135 ( 7.236 0.000 -6.791) 9.923 57.512 ( -7.711 0.000 -4.323) 8.840 ======================= Grid point 80 (28/96) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -17.999 0.000 17.864) 25.359 1.661 ( 17.999 0.000 17.864) 25.359 1.933 ( -28.059 0.000 4.126) 28.360 1.933 ( 28.059 0.000 4.126) 28.360 2.452 ( -26.921 0.000 3.320) 27.125 2.452 ( 26.921 0.000 3.320) 27.125 2.741 ( -14.314 0.000 -3.399) 14.712 2.741 ( 14.314 0.000 -3.399) 14.712 3.055 ( -3.979 0.000 2.284) 4.588 3.055 ( 3.979 0.000 2.284) 4.588 3.144 ( -9.373 0.000 3.253) 9.921 3.144 ( 9.373 0.000 3.253) 9.921 4.223 ( -7.163 0.000 1.748) 7.374 4.223 ( 7.163 0.000 1.748) 7.374 4.414 ( -2.650 0.000 -4.646) 5.349 4.414 ( 2.650 0.000 -4.646) 5.349 4.667 ( -7.250 0.000 -1.375) 7.380 4.667 ( 7.250 0.000 -1.375) 7.380 4.898 ( -6.729 0.000 -6.773) 9.548 4.898 ( 6.729 0.000 -6.773) 9.548 5.278 ( -8.490 0.000 -0.503) 8.505 5.278 ( 8.490 0.000 -0.503) 8.505 5.566 ( -3.436 0.000 -3.850) 5.160 5.566 ( 3.436 0.000 -3.850) 5.160 12.237 ( -6.742 0.000 -0.634) 6.772 12.237 ( 6.742 0.000 -0.634) 6.772 13.422 ( -9.784 0.000 -0.417) 9.793 13.422 ( 9.784 0.000 -0.417) 9.793 14.011 ( -2.982 0.000 1.656) 3.411 14.011 ( 2.982 0.000 1.656) 3.411 14.397 ( -6.299 0.000 -0.434) 6.314 14.397 ( 6.299 0.000 -0.434) 6.314 15.439 ( -8.318 0.000 0.514) 8.334 15.439 ( 8.318 0.000 0.514) 8.334 15.856 ( -3.204 0.000 -0.508) 3.244 15.856 ( 3.204 0.000 -0.508) 3.244 26.530 ( -2.030 0.000 -2.725) 3.398 26.530 ( 2.030 0.000 -2.725) 3.398 26.838 ( -2.570 0.000 9.966) 10.292 26.838 ( 2.570 0.000 9.966) 10.292 27.997 ( -1.020 0.000 0.440) 1.110 27.997 ( 1.020 0.000 0.440) 1.110 28.518 ( -2.244 0.000 -3.779) 4.395 28.518 ( 2.244 0.000 -3.779) 4.395 28.528 ( -0.834 0.000 0.002) 0.834 28.528 ( 0.834 0.000 0.002) 0.834 28.979 ( -1.321 0.000 1.568) 2.051 28.979 ( 1.321 0.000 1.568) 2.051 53.886 ( -1.054 0.000 5.008) 5.118 53.886 ( 1.054 0.000 5.008) 5.118 54.795 ( -4.877 0.000 8.107) 9.461 54.795 ( 4.877 0.000 8.107) 9.461 54.826 ( -0.233 0.000 -2.140) 2.153 54.826 ( 0.233 0.000 -2.140) 2.153 55.515 ( -3.402 0.000 -0.318) 3.417 55.515 ( 3.402 0.000 -0.318) 3.417 56.656 ( -15.438 0.000 0.647) 15.451 56.656 ( 15.438 0.000 0.647) 15.451 57.334 ( -10.390 0.000 -6.715) 12.371 57.334 ( 10.390 0.000 -6.715) 12.371 ======================= Grid point 84 (29/96) ======================= q-point: ( 0.00 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 12.698 17.494) 21.617 0.845 ( 0.000 25.043 16.012) 29.724 1.290 ( 0.000 25.123 34.080) 42.339 2.284 ( 0.000 7.231 -5.025) 8.806 2.379 ( 0.000 5.576 4.213) 6.988 2.712 ( 0.000 0.024 5.406) 5.406 2.932 ( 0.000 -2.191 -6.274) 6.646 2.940 ( 0.000 -2.859 5.629) 6.313 3.117 ( 0.000 -5.365 3.216) 6.255 3.172 ( 0.000 -6.460 2.242) 6.838 3.363 ( 0.000 -7.606 -1.225) 7.704 3.676 ( 0.000 -8.168 0.309) 8.173 3.988 ( 0.000 5.545 1.282) 5.691 4.116 ( 0.000 1.304 0.149) 1.313 4.305 ( 0.000 4.856 -2.519) 5.471 4.315 ( 0.000 6.248 -4.360) 7.619 4.581 ( 0.000 2.067 -3.516) 4.079 4.609 ( 0.000 7.491 -5.897) 9.534 4.744 ( 0.000 -2.381 2.239) 3.269 4.859 ( 0.000 -4.072 -1.300) 4.274 5.357 ( 0.000 -9.071 0.396) 9.080 5.386 ( 0.000 -1.975 -4.989) 5.366 5.465 ( 0.000 -0.942 -3.691) 3.809 5.636 ( 0.000 -4.610 -3.726) 5.927 11.858 ( 0.000 1.116 2.725) 2.944 12.463 ( 0.000 0.896 -5.656) 5.727 13.059 ( 0.000 -4.242 6.854) 8.060 13.724 ( 0.000 -6.984 -2.661) 7.474 13.896 ( 0.000 2.922 0.791) 3.027 14.107 ( 0.000 2.569 -1.534) 2.992 14.188 ( 0.000 1.776 3.389) 3.826 14.618 ( 0.000 0.981 -1.742) 2.000 15.174 ( 0.000 1.430 2.741) 3.091 15.670 ( 0.000 -1.965 -3.793) 4.272 15.814 ( 0.000 -1.918 2.104) 2.847 15.963 ( 0.000 -2.828 -0.400) 2.856 26.500 ( 0.000 -2.957 -0.035) 2.957 26.588 ( 0.000 -1.219 -4.317) 4.485 26.832 ( 0.000 -17.567 16.564) 24.144 26.898 ( 0.000 -2.537 6.796) 7.254 28.068 ( 0.000 3.552 -0.536) 3.593 28.243 ( 0.000 0.676 1.285) 1.452 28.287 ( 0.000 10.024 -11.034) 14.908 28.521 ( 0.000 2.226 0.782) 2.359 28.599 ( 0.000 1.910 -1.305) 2.313 28.635 ( 0.000 2.130 -2.990) 3.671 28.906 ( 0.000 -2.330 2.382) 3.332 28.987 ( 0.000 -1.571 -0.278) 1.595 54.001 ( 0.000 7.396 3.209) 8.062 54.189 ( 0.000 15.348 -14.914) 21.401 54.538 ( 0.000 -7.347 3.243) 8.031 54.723 ( 0.000 -3.118 -6.997) 7.660 54.937 ( 0.000 7.711 -0.842) 7.757 55.310 ( 0.000 -4.267 0.051) 4.267 55.573 ( 0.000 -4.930 1.354) 5.112 55.894 ( 0.000 7.652 1.119) 7.734 56.114 ( 0.000 -0.059 0.684) 0.687 56.209 ( 0.000 -0.325 -0.399) 0.514 57.304 ( 0.000 0.031 1.285) 1.286 57.642 ( 0.000 -1.657 -2.053) 2.638 ======================= Grid point 85 (30/96) ======================= q-point: ( 0.17 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 17.172 0.929 16.619) 23.915 1.057 ( 14.925 13.598 21.432) 29.444 1.576 ( 25.946 27.278 20.156) 42.703 2.272 ( -7.022 4.057 4.083) 9.080 2.344 ( 2.473 4.908 -0.460) 5.515 2.712 ( -15.567 -8.806 -1.063) 17.917 2.788 ( 2.593 -0.469 2.512) 3.640 2.952 ( -3.242 0.166 2.934) 4.376 3.011 ( 1.213 -2.431 0.664) 2.797 3.175 ( -7.738 -4.831 -0.742) 9.153 3.356 ( 0.068 -2.865 1.897) 3.437 3.761 ( -5.445 1.970 1.923) 6.101 3.863 ( 2.183 1.005 0.746) 2.516 4.211 ( 6.156 -2.271 -2.109) 6.892 4.322 ( 2.062 2.466 -4.386) 5.438 4.377 ( 4.052 2.582 -3.490) 5.938 4.578 ( -0.740 5.239 -0.882) 5.364 4.654 ( 3.898 3.724 -8.896) 10.402 4.791 ( 1.515 -5.527 0.665) 5.769 4.861 ( 3.359 -1.896 0.057) 3.857 5.223 ( -9.744 -4.571 -0.360) 10.769 5.399 ( 0.721 -2.541 -4.871) 5.540 5.479 ( -0.237 -3.063 -1.928) 3.627 5.627 ( -0.957 -4.083 -3.408) 5.404 11.939 ( 6.985 -0.519 0.959) 7.070 12.438 ( -2.496 1.240 -4.514) 5.305 13.090 ( 3.280 -4.652 5.511) 7.923 13.676 ( -4.935 -6.856 -2.431) 8.790 13.920 ( 2.321 2.936 0.904) 3.850 14.112 ( -0.006 3.318 -0.240) 3.327 14.204 ( 2.332 1.025 2.228) 3.384 14.594 ( -2.554 1.008 -1.527) 3.142 15.205 ( 3.143 1.178 2.403) 4.128 15.664 ( -1.232 -1.597 -3.661) 4.180 15.786 ( -2.169 -2.227 2.154) 3.782 15.943 ( -1.983 -2.873 -0.472) 3.523 26.490 ( -0.613 -2.121 -0.314) 2.230 26.582 ( -0.706 -1.328 -4.119) 4.385 26.784 ( -2.569 -8.734 14.364) 17.006 26.898 ( -0.922 -4.030 7.277) 8.370 28.067 ( -0.167 3.802 -0.447) 3.832 28.140 ( -4.939 9.805 -1.042) 11.028 28.362 ( 3.232 -0.539 -4.568) 5.622 28.513 ( -0.832 0.201 0.325) 0.916 28.593 ( -0.252 2.993 -1.585) 3.396 28.630 ( -0.438 2.960 -2.530) 3.918 28.913 ( 0.694 -2.165 2.100) 3.095 28.990 ( -0.031 -1.919 0.162) 1.926 53.999 ( -0.251 7.580 3.149) 8.212 54.128 ( -5.107 16.308 -9.307) 19.459 54.542 ( 0.530 -7.662 3.297) 8.358 54.689 ( -2.731 -5.084 -3.276) 6.636 54.956 ( 1.767 8.442 -0.840) 8.666 55.335 ( 2.468 -4.508 0.056) 5.140 55.439 ( -20.050 16.234 13.179) 28.970 55.563 ( -1.991 -5.131 1.791) 5.788 56.181 ( 7.002 -0.056 0.818) 7.049 56.648 ( 21.360 -8.241 -11.738) 25.728 57.219 ( -8.291 -0.157 1.676) 8.460 57.602 ( -4.279 -2.216 -2.571) 5.461 ======================= Grid point 86 (31/96) ======================= q-point: ( 0.33 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 28.314 -11.096 10.200) 32.076 1.371 ( 17.185 7.487 21.303) 28.376 2.023 ( -9.225 7.334 10.936) 16.078 2.165 ( 22.726 18.187 9.805) 30.714 2.272 ( -23.138 -11.250 3.433) 25.956 2.465 ( 7.637 -0.543 -4.933) 9.108 2.882 ( -4.885 -5.708 -0.621) 7.538 2.932 ( -0.756 6.575 -4.887) 8.227 2.967 ( 2.593 0.341 0.351) 2.639 3.081 ( 0.110 -0.146 5.846) 5.849 3.261 ( -10.435 7.291 4.642) 13.549 3.468 ( -16.295 6.598 2.759) 17.795 4.070 ( 11.772 -0.079 -0.067) 11.773 4.317 ( 4.341 -1.055 -1.704) 4.781 4.350 ( -0.116 -0.238 -5.908) 5.914 4.444 ( 2.154 -0.057 -3.454) 4.071 4.550 ( -0.875 3.119 0.707) 3.315 4.711 ( -2.157 -5.135 -3.101) 6.374 4.771 ( 2.591 -1.570 -6.060) 6.775 4.975 ( 0.088 -1.491 -0.710) 1.654 5.088 ( 1.527 -4.883 -1.350) 5.292 5.365 ( -4.886 -4.442 -2.105) 6.931 5.492 ( 2.312 -1.284 -3.173) 4.130 5.597 ( -2.068 -3.021 -3.500) 5.065 12.088 ( 8.007 -0.569 0.142) 8.029 12.364 ( -5.210 1.200 -2.185) 5.776 13.193 ( 7.285 -5.440 2.416) 9.407 13.541 ( -8.576 -6.506 -1.705) 10.899 13.978 ( 3.441 3.024 1.201) 4.736 14.093 ( -1.902 3.417 1.415) 4.159 14.286 ( 5.691 0.819 0.318) 5.758 14.520 ( -4.982 1.036 -1.007) 5.187 15.296 ( 6.210 0.550 1.565) 6.428 15.586 ( -6.647 -0.736 -1.228) 6.799 15.777 ( 1.499 -2.865 0.247) 3.243 15.890 ( -3.237 -2.952 -0.608) 4.422 26.491 ( 0.863 -1.004 -1.592) 2.070 26.558 ( -1.764 -1.208 -3.647) 4.227 26.770 ( 0.968 -3.753 11.019) 11.681 26.862 ( -2.545 -3.098 7.650) 8.637 28.063 ( -0.170 4.605 -0.226) 4.614 28.079 ( -1.653 8.344 -0.039) 8.507 28.412 ( 2.194 -2.687 -2.140) 4.075 28.488 ( -1.666 -1.944 -0.391) 2.590 28.596 ( 0.436 4.056 -1.876) 4.490 28.620 ( -0.620 3.626 -2.175) 4.273 28.932 ( 1.236 -2.078 1.699) 2.955 28.981 ( -0.906 -2.029 0.871) 2.387 53.994 ( -0.081 8.341 2.832) 8.809 54.040 ( -3.307 13.647 -1.562) 14.128 54.561 ( 1.437 -8.090 2.772) 8.671 54.638 ( -2.412 -7.315 0.245) 7.706 55.000 ( 2.784 10.124 0.510) 10.512 55.182 ( -8.213 14.775 8.726) 19.024 55.395 ( 3.421 -4.799 0.113) 5.895 55.520 ( -2.657 -5.260 0.885) 5.959 56.377 ( 12.901 0.229 0.958) 12.939 56.908 ( -2.556 -2.350 -6.148) 7.061 57.069 ( 2.887 -5.285 -1.905) 6.317 57.475 ( -8.664 -3.649 -3.882) 10.171 ======================= Grid point 87 (32/96) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -6.799 -5.408 14.673) 17.052 1.651 ( 6.799 -5.408 14.673) 17.052 1.792 ( -9.186 -3.469 8.302) 12.859 1.792 ( 9.186 -3.469 8.302) 12.859 2.602 ( -2.456 2.439 -5.425) 6.435 2.602 ( 2.456 2.439 -5.425) 6.435 2.776 ( -9.028 11.096 3.300) 14.680 2.776 ( 9.028 11.096 3.300) 14.680 3.060 ( -4.861 -0.073 5.426) 7.285 3.060 ( 4.861 -0.073 5.426) 7.285 3.208 ( -10.980 6.435 1.190) 12.782 3.208 ( 10.980 6.435 1.190) 12.782 4.265 ( -7.537 2.896 -1.037) 8.140 4.265 ( 7.537 2.896 -1.037) 8.140 4.409 ( -4.041 -0.380 -3.695) 5.489 4.409 ( 4.041 -0.380 -3.695) 5.489 4.613 ( -5.737 -4.963 -0.818) 7.630 4.613 ( 5.737 -4.963 -0.818) 7.630 4.873 ( -6.170 -2.499 -5.354) 8.543 4.873 ( 6.170 -2.499 -5.354) 8.543 5.232 ( -8.290 -4.188 -0.537) 9.304 5.232 ( 8.290 -4.188 -0.537) 9.304 5.548 ( -2.946 -1.887 -3.736) 5.119 5.548 ( 2.946 -1.887 -3.736) 5.119 12.240 ( -7.347 0.453 -0.458) 7.375 12.240 ( 7.347 0.453 -0.458) 7.375 13.360 ( -9.527 -6.053 -0.223) 11.289 13.360 ( 9.527 -6.053 -0.223) 11.289 14.044 ( -3.087 3.188 1.519) 4.690 14.044 ( 3.087 3.188 1.519) 4.690 14.407 ( -6.363 0.974 -0.446) 6.453 14.407 ( 6.363 0.974 -0.446) 6.453 15.437 ( -7.977 -0.151 0.467) 7.992 15.437 ( 7.977 -0.151 0.467) 7.992 15.826 ( -3.190 -2.971 -0.585) 4.398 15.826 ( 3.190 -2.971 -0.585) 4.398 26.520 ( -1.924 -0.860 -2.886) 3.573 26.520 ( 1.924 -0.860 -2.886) 3.573 26.809 ( -2.656 -2.793 8.815) 9.621 26.809 ( 2.656 -2.793 8.815) 9.621 28.063 ( -0.251 6.086 0.000) 6.091 28.063 ( 0.251 6.086 0.000) 6.091 28.452 ( -1.999 -2.720 -1.058) 3.537 28.452 ( 1.999 -2.720 -1.058) 3.537 28.607 ( -0.659 4.011 -2.007) 4.533 28.607 ( 0.659 4.011 -2.007) 4.533 28.958 ( -1.332 -2.052 1.330) 2.784 28.958 ( 1.332 -2.052 1.330) 2.784 54.001 ( -0.961 10.230 1.740) 10.421 54.001 ( 0.961 10.230 1.740) 10.421 54.595 ( -2.001 -8.104 1.791) 8.537 54.595 ( 2.001 -8.104 1.791) 8.537 55.067 ( -4.304 12.264 3.538) 13.471 55.067 ( 4.304 12.264 3.538) 13.471 55.461 ( -3.297 -5.119 0.395) 6.102 55.461 ( 3.297 -5.119 0.395) 6.102 56.660 ( -15.460 0.405 0.604) 15.477 56.660 ( 15.460 0.405 0.604) 15.477 57.275 ( -11.653 -5.670 -5.590) 14.113 57.275 ( 11.653 -5.670 -5.590) 14.113 ======================= Grid point 91 (33/96) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 21.775 6.662) 22.771 1.385 ( 0.000 29.003 8.950) 30.353 1.829 ( 0.000 28.768 24.485) 37.777 2.448 ( 0.000 8.211 -1.208) 8.300 2.526 ( 0.000 8.626 4.055) 9.532 2.677 ( 0.000 -4.476 0.120) 4.478 2.838 ( 0.000 -7.945 -0.364) 7.953 2.853 ( 0.000 -7.863 1.068) 7.936 3.048 ( 0.000 -2.378 -2.491) 3.443 3.086 ( 0.000 1.789 10.540) 10.691 3.169 ( 0.000 -9.414 -1.868) 9.597 3.471 ( 0.000 -12.341 -0.659) 12.358 4.134 ( 0.000 8.353 0.260) 8.357 4.140 ( 0.000 0.920 -0.892) 1.281 4.404 ( 0.000 4.637 -4.525) 6.479 4.444 ( 0.000 6.319 -4.025) 7.492 4.622 ( 0.000 -5.181 2.330) 5.681 4.641 ( 0.000 4.018 0.023) 4.018 4.739 ( 0.000 -8.156 -0.419) 8.167 4.755 ( 0.000 3.253 -6.688) 7.437 5.182 ( 0.000 -8.673 2.760) 9.101 5.320 ( 0.000 -4.827 -5.300) 7.168 5.448 ( 0.000 -0.907 -3.403) 3.522 5.512 ( 0.000 -7.899 -2.960) 8.435 11.893 ( 0.000 2.628 2.105) 3.367 12.488 ( 0.000 1.295 -6.884) 7.005 12.951 ( 0.000 -6.412 7.741) 10.052 13.544 ( 0.000 -10.962 -1.989) 11.141 13.972 ( 0.000 4.574 0.500) 4.601 14.146 ( 0.000 1.435 -1.172) 1.853 14.252 ( 0.000 4.767 2.774) 5.516 14.642 ( 0.000 1.255 -1.612) 2.043 15.208 ( 0.000 1.813 1.875) 2.608 15.612 ( 0.000 -3.871 -3.107) 4.964 15.766 ( 0.000 -2.864 1.560) 3.261 15.887 ( 0.000 -4.725 -0.420) 4.743 26.453 ( 0.000 -1.314 -0.663) 1.472 26.556 ( 0.000 -1.949 -3.684) 4.168 26.651 ( 0.000 -4.834 8.346) 9.645 26.831 ( 0.000 -4.185 5.206) 6.679 28.161 ( 0.000 5.730 -0.484) 5.751 28.271 ( 0.000 2.297 1.468) 2.726 28.385 ( 0.000 2.607 -6.214) 6.738 28.571 ( 0.000 2.702 0.349) 2.724 28.610 ( 0.000 0.384 -0.969) 1.042 28.690 ( 0.000 1.974 -1.231) 2.326 28.854 ( 0.000 -2.987 1.328) 3.269 28.944 ( 0.000 -2.792 -0.344) 2.813 54.173 ( 0.000 8.288 -1.562) 8.434 54.275 ( 0.000 -1.466 -6.478) 6.642 54.441 ( 0.000 -1.021 3.310) 3.464 54.798 ( 0.000 6.712 -18.633) 19.805 55.047 ( 0.000 2.573 -4.496) 5.180 55.184 ( 0.000 -7.656 0.950) 7.715 55.463 ( 0.000 -5.104 5.845) 7.760 55.934 ( 0.000 -2.353 8.107) 8.441 56.115 ( 0.000 0.190 0.913) 0.933 56.200 ( 0.000 -0.585 -0.243) 0.633 57.307 ( 0.000 0.392 1.042) 1.113 57.597 ( 0.000 -2.897 -1.813) 3.418 ======================= Grid point 92 (34/96) ======================= q-point: ( 0.17 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 1.876 20.984 7.451) 22.347 1.396 ( 4.887 20.503 18.132) 27.803 2.121 ( 22.998 26.762 13.431) 37.756 2.379 ( -12.345 3.657 4.588) 13.668 2.454 ( -0.037 6.200 -1.476) 6.373 2.503 ( -18.641 -7.397 3.586) 20.373 2.756 ( 4.705 -4.132 2.156) 6.623 2.932 ( -4.455 -5.927 -3.486) 8.193 3.041 ( 3.918 7.376 3.057) 8.894 3.088 ( -3.329 -2.226 0.243) 4.012 3.225 ( 7.996 -8.615 4.008) 12.418 3.660 ( 14.526 -10.668 -1.444) 18.080 4.004 ( -11.255 10.416 1.325) 15.392 4.190 ( 3.843 -0.297 -2.132) 4.405 4.388 ( -1.443 3.377 -4.655) 5.929 4.451 ( 0.769 4.534 -4.159) 6.200 4.635 ( -1.097 -4.081 2.347) 4.833 4.669 ( 0.999 -0.448 -0.071) 1.097 4.714 ( -0.544 0.276 -7.511) 7.536 4.797 ( 5.149 -3.670 0.077) 6.324 5.107 ( -7.001 -6.426 2.592) 9.850 5.316 ( -0.877 -5.539 -4.958) 7.485 5.445 ( 0.081 -1.143 -3.267) 3.462 5.514 ( 0.087 -7.280 -2.793) 7.797 11.953 ( 5.771 2.019 1.627) 6.327 12.472 ( -1.911 2.004 -5.534) 6.188 12.969 ( 2.192 -7.328 6.262) 9.885 13.498 ( -4.639 -10.817 -1.842) 11.913 13.996 ( 2.422 4.660 0.590) 5.285 14.177 ( 2.495 2.529 -1.272) 3.774 14.247 ( 0.029 3.864 2.807) 4.776 14.617 ( -2.519 1.270 -1.430) 3.163 15.232 ( 2.563 1.495 1.666) 3.403 15.615 ( -0.071 -3.429 -3.242) 4.720 15.730 ( -3.134 -3.180 1.796) 4.813 15.866 ( -2.108 -4.823 -0.510) 5.288 26.457 ( 0.507 -0.899 -1.158) 1.551 26.550 ( -0.651 -1.852 -3.580) 4.083 26.661 ( 1.041 -4.423 7.994) 9.195 26.821 ( -1.040 -4.281 5.318) 6.906 28.165 ( 0.388 5.991 -0.510) 6.025 28.267 ( -0.680 4.301 0.585) 4.393 28.378 ( -0.388 1.900 -4.512) 4.912 28.525 ( -3.074 1.275 1.082) 3.499 28.636 ( 1.346 1.634 -1.620) 2.666 28.687 ( -0.253 2.060 -1.340) 2.471 28.860 ( 0.617 -3.134 1.301) 3.449 28.941 ( -0.379 -3.039 -0.076) 3.063 54.170 ( -0.284 7.863 -1.561) 8.021 54.260 ( -1.530 -0.064 -6.608) 6.783 54.450 ( 1.001 -0.233 3.128) 3.292 54.741 ( -5.150 7.400 -14.209) 16.827 55.071 ( 2.241 1.733 -3.968) 4.876 55.208 ( 2.121 -7.198 0.537) 7.523 55.446 ( -1.788 -5.261 5.893) 8.099 55.674 ( -15.148 6.921 10.617) 19.751 56.183 ( 7.282 0.337 0.894) 7.344 56.481 ( 17.799 -8.061 -3.544) 19.858 57.221 ( -8.530 0.427 1.311) 8.641 57.543 ( -5.606 -3.666 -2.136) 7.031 ======================= Grid point 93 (35/96) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 16.440 7.244 9.611) 20.375 1.573 ( 11.627 12.686 19.289) 25.849 2.008 ( -22.632 -9.207 2.653) 24.577 2.163 ( -14.720 6.418 11.772) 19.911 2.480 ( 4.542 3.184 -3.732) 6.686 2.594 ( 13.064 14.119 -1.475) 19.292 2.806 ( 3.955 3.169 3.977) 6.442 2.869 ( 2.120 -5.301 2.525) 6.243 3.045 ( -1.480 0.508 3.444) 3.782 3.167 ( 8.005 9.194 1.097) 12.239 3.318 ( 0.848 -2.946 2.331) 3.851 3.678 ( -17.499 13.495 2.879) 22.285 3.994 ( 14.679 -8.319 -2.724) 17.091 4.271 ( 3.329 -3.212 -6.384) 7.884 4.370 ( 0.313 1.944 -2.644) 3.297 4.461 ( 0.072 1.882 -3.482) 3.958 4.571 ( -4.531 -7.119 1.172) 8.520 4.608 ( -6.412 0.492 -1.152) 6.533 4.745 ( 3.136 -0.572 -4.456) 5.479 4.938 ( -0.519 -1.991 -0.225) 2.069 4.972 ( 2.472 -5.999 1.482) 6.655 5.264 ( -4.720 -5.657 -3.247) 8.051 5.461 ( 1.492 -2.084 -3.443) 4.292 5.511 ( -0.527 -5.842 -3.021) 6.598 12.097 ( 8.503 1.655 0.842) 8.703 12.401 ( -5.513 2.654 -2.465) 6.597 13.050 ( 6.269 -8.859 2.790) 11.205 13.371 ( -8.083 -10.411 -1.293) 13.244 14.058 ( 3.674 4.929 0.823) 6.203 14.182 ( -1.917 5.463 0.842) 5.851 14.306 ( 5.746 1.150 0.374) 5.872 14.544 ( -4.982 1.309 -0.986) 5.244 15.308 ( 5.305 0.647 1.119) 5.460 15.565 ( -5.714 -1.406 -1.278) 6.021 15.700 ( 1.027 -4.813 0.191) 4.925 15.811 ( -3.335 -5.000 -0.706) 6.051 26.474 ( 1.240 -0.509 -2.163) 2.545 26.531 ( -1.286 -1.411 -3.328) 3.837 26.692 ( 2.147 -3.977 7.245) 8.539 26.789 ( -2.201 -4.207 5.733) 7.444 28.177 ( 0.928 6.718 -0.612) 6.809 28.239 ( -1.965 7.455 -0.803) 7.751 28.386 ( 1.326 0.083 -1.259) 1.831 28.470 ( -2.606 0.200 0.867) 2.753 28.656 ( 0.806 2.151 -1.853) 2.952 28.680 ( -0.459 2.199 -1.535) 2.720 28.878 ( 1.171 -3.368 1.112) 3.735 28.927 ( -1.030 -3.333 0.401) 3.512 54.167 ( 0.203 7.006 -1.993) 7.287 54.220 ( -2.310 3.194 -5.470) 6.742 54.483 ( 2.428 1.581 1.828) 3.425 54.633 ( -5.330 6.641 -6.195) 10.530 55.129 ( 3.668 0.629 -2.244) 4.346 55.246 ( 0.943 -6.751 -0.025) 6.816 55.394 ( -3.231 -2.196 7.117) 8.118 55.460 ( -6.511 6.993 7.373) 12.069 56.386 ( 13.217 0.677 0.929) 13.267 56.801 ( 13.346 -7.978 -5.710) 16.564 57.006 ( -11.235 -0.864 2.197) 11.481 57.382 ( -10.810 -5.588 -2.872) 12.503 ======================= Grid point 94 (36/96) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -22.172 -4.237 9.842) 24.625 1.504 ( 22.172 -4.237 9.842) 24.625 1.881 ( -13.411 8.676 12.462) 20.259 1.881 ( 13.411 8.676 12.462) 20.259 2.573 ( -5.495 -1.427 -6.370) 8.533 2.573 ( 5.495 -1.427 -6.370) 8.533 2.925 ( -2.151 -1.239 3.856) 4.586 2.925 ( 2.151 -1.239 3.856) 4.586 3.201 ( -15.045 14.237 5.315) 21.384 3.201 ( 15.045 14.237 5.315) 21.384 3.343 ( -11.446 7.580 1.949) 13.866 3.343 ( 11.446 7.580 1.949) 13.866 4.240 ( -8.107 -7.104 -7.091) 12.902 4.240 ( 8.107 -7.104 -7.091) 12.902 4.425 ( -4.768 2.143 -1.460) 5.428 4.425 ( 4.768 2.143 -1.460) 5.428 4.510 ( -1.298 -4.534 0.673) 4.764 4.510 ( 1.298 -4.534 0.673) 4.764 4.826 ( -5.220 -1.308 -1.938) 5.720 4.826 ( 5.220 -1.308 -1.938) 5.720 5.137 ( -8.157 -5.271 -1.304) 9.799 5.137 ( 8.157 -5.271 -1.304) 9.799 5.492 ( -1.410 -3.927 -3.398) 5.381 5.492 ( 1.410 -3.927 -3.398) 5.381 12.264 ( -8.268 2.203 -0.223) 8.559 12.264 ( 8.268 2.203 -0.223) 8.559 13.202 ( -8.862 -9.809 0.048) 13.220 13.202 ( 8.862 -9.809 0.048) 13.220 14.128 ( -3.355 5.300 1.079) 6.365 14.128 ( 3.355 5.300 1.079) 6.365 14.430 ( -6.506 1.254 -0.471) 6.642 14.430 ( 6.506 1.254 -0.471) 6.642 15.432 ( -7.125 -0.390 0.328) 7.144 15.432 ( 7.125 -0.390 0.328) 7.144 15.746 ( -3.157 -5.065 -0.759) 6.017 15.746 ( 3.157 -5.065 -0.759) 6.017 26.503 ( -1.552 -0.788 -2.928) 3.407 26.503 ( 1.552 -0.788 -2.928) 3.407 26.740 ( -2.672 -3.984 6.435) 8.026 26.740 ( 2.672 -3.984 6.435) 8.026 28.202 ( -1.645 7.601 -0.814) 7.819 28.202 ( 1.645 7.601 -0.814) 7.819 28.423 ( -2.252 -0.247 0.159) 2.271 28.423 ( 2.252 -0.247 0.159) 2.271 28.670 ( -0.604 2.264 -1.731) 2.913 28.670 ( 0.604 2.264 -1.731) 2.913 28.903 ( -1.359 -3.447 0.797) 3.790 28.903 ( 1.359 -3.447 0.797) 3.790 54.182 ( -1.405 5.729 -3.380) 6.799 54.182 ( 1.405 5.729 -3.380) 6.799 54.544 ( -3.827 4.021 -0.934) 5.629 54.544 ( 3.827 4.021 -0.934) 5.629 55.208 ( -4.101 -1.809 -0.161) 4.485 55.208 ( 4.101 -1.809 -0.161) 4.485 55.383 ( -2.247 1.105 5.607) 6.140 55.383 ( 2.247 1.105 5.607) 6.140 56.673 ( -15.482 0.913 0.488) 15.516 56.673 ( 15.482 0.913 0.488) 15.516 57.136 ( -14.038 -7.967 -3.374) 16.490 57.136 ( 14.038 -7.967 -3.374) 16.490 ======================= Grid point 98 (37/96) ======================= q-point: ( 0.00 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.000 21.380 3.096) 21.603 1.931 ( 0.000 25.712 4.380) 26.083 2.349 ( 0.000 22.025 19.313) 29.293 2.537 ( 0.000 -4.758 2.401) 5.330 2.565 ( 0.000 -2.726 1.399) 3.064 2.624 ( 0.000 -6.357 2.029) 6.673 2.677 ( 0.000 -5.342 3.861) 6.591 2.742 ( 0.000 8.134 4.420) 9.257 2.880 ( 0.000 -10.675 -5.118) 11.839 3.162 ( 0.000 4.660 -1.232) 4.820 3.164 ( 0.000 -8.759 -2.715) 9.170 3.314 ( 0.000 9.379 8.971) 12.979 4.139 ( 0.000 -1.595 -2.419) 2.897 4.259 ( 0.000 2.256 -3.977) 4.572 4.473 ( 0.000 1.798 -6.552) 6.795 4.475 ( 0.000 -3.024 3.730) 4.802 4.545 ( 0.000 -10.140 0.514) 10.153 4.590 ( 0.000 3.403 -3.118) 4.615 4.735 ( 0.000 4.983 2.698) 5.666 4.768 ( 0.000 -3.146 -5.203) 6.081 5.061 ( 0.000 -1.980 1.277) 2.356 5.205 ( 0.000 -6.803 -4.960) 8.419 5.342 ( 0.000 -8.976 -0.931) 9.024 5.422 ( 0.000 -1.941 -3.041) 3.608 11.963 ( 0.000 4.619 1.221) 4.778 12.487 ( 0.000 -2.273 -7.864) 8.186 12.843 ( 0.000 -3.450 8.329) 9.015 13.320 ( 0.000 -11.559 -1.099) 11.611 14.063 ( 0.000 4.491 0.028) 4.492 14.168 ( 0.000 0.895 -0.778) 1.186 14.362 ( 0.000 6.302 1.395) 6.454 14.660 ( 0.000 0.378 -1.403) 1.453 15.242 ( 0.000 1.802 0.752) 1.952 15.524 ( 0.000 -4.995 -2.401) 5.542 15.711 ( 0.000 -2.637 0.998) 2.820 15.790 ( 0.000 -4.979 -0.295) 4.988 26.447 ( 0.000 0.470 -1.067) 1.166 26.517 ( 0.000 -1.921 -2.652) 3.275 26.584 ( 0.000 -2.413 4.117) 4.772 26.743 ( 0.000 -4.659 3.405) 5.771 28.280 ( 0.000 6.163 -0.211) 6.167 28.332 ( 0.000 3.945 1.326) 4.162 28.426 ( 0.000 1.846 -3.292) 3.774 28.618 ( 0.000 1.992 -0.375) 2.027 28.621 ( 0.000 0.553 0.035) 0.554 28.702 ( 0.000 -0.623 -1.779) 1.885 28.794 ( 0.000 -2.969 0.935) 3.113 28.882 ( 0.000 -3.418 -0.372) 3.438 54.257 ( 0.000 1.723 -4.770) 5.072 54.258 ( 0.000 0.628 -4.630) 4.672 54.532 ( 0.000 7.341 0.720) 7.376 54.831 ( 0.000 -5.565 -14.263) 15.310 55.024 ( 0.000 -3.404 -5.825) 6.747 55.090 ( 0.000 0.058 -2.866) 2.866 55.419 ( 0.000 0.487 7.889) 7.904 55.840 ( 0.000 -6.723 8.727) 11.016 56.122 ( 0.000 0.492 0.924) 1.047 56.186 ( 0.000 -0.781 0.022) 0.782 57.321 ( 0.000 1.151 0.625) 1.310 57.534 ( 0.000 -3.486 -1.467) 3.782 ======================= Grid point 99 (38/96) ======================= q-point: ( 0.17 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 0.123 22.588 2.596) 22.737 1.827 ( -4.150 22.935 13.677) 27.024 2.254 ( -19.029 -7.429 3.240) 20.683 2.479 ( -1.248 4.136 4.918) 6.546 2.521 ( -1.941 3.890 5.662) 7.138 2.633 ( 7.429 1.978 4.432) 8.873 2.754 ( 0.704 9.557 0.095) 9.584 2.817 ( 1.706 0.624 0.510) 1.887 2.941 ( 12.325 -10.808 2.477) 16.578 3.154 ( 0.031 5.197 0.870) 5.270 3.254 ( 2.914 6.898 2.175) 7.797 3.416 ( 12.714 -11.409 1.626) 17.160 4.138 ( -1.659 -1.296 -4.033) 4.549 4.228 ( -3.450 6.537 -1.224) 7.492 4.391 ( -3.005 -4.059 -2.071) 5.459 4.490 ( -2.117 -0.899 -1.930) 3.002 4.575 ( 0.699 1.319 -2.510) 2.921 4.601 ( 1.422 -7.685 -1.539) 7.966 4.742 ( 1.075 3.237 1.716) 3.818 4.757 ( 0.411 -1.193 -2.622) 2.910 5.027 ( -3.548 -0.572 1.366) 3.845 5.193 ( -1.120 -6.910 -5.123) 8.675 5.353 ( 0.981 -8.718 -1.199) 8.855 5.415 ( -0.628 -2.360 -2.984) 3.856 12.016 ( 5.283 4.462 1.115) 7.005 12.498 ( 0.475 -0.233 -7.050) 7.070 12.832 ( -0.529 -5.540 7.453) 9.301 13.276 ( -4.428 -11.507 -1.082) 12.377 14.090 ( 2.695 4.679 0.097) 5.401 14.208 ( 3.950 1.031 -0.854) 4.171 14.350 ( -1.243 6.192 1.409) 6.471 14.636 ( -2.443 0.449 -1.267) 2.788 15.261 ( 1.972 1.532 0.683) 2.589 15.533 ( 0.819 -4.849 -2.476) 5.505 15.672 ( -3.744 -2.628 1.110) 4.707 15.766 ( -2.340 -5.143 -0.416) 5.666 26.455 ( 0.791 0.556 -1.379) 1.684 26.515 ( -0.259 -1.659 -2.598) 3.093 26.593 ( 0.903 -2.730 4.202) 5.092 26.733 ( -1.023 -4.627 3.475) 5.876 28.287 ( 0.767 6.298 -0.337) 6.353 28.344 ( 1.067 4.054 1.202) 4.361 28.420 ( -0.646 2.191 -3.105) 3.854 28.561 ( -3.364 2.098 0.724) 4.030 28.659 ( 1.498 0.630 -0.883) 1.849 28.703 ( -0.008 -0.410 -1.697) 1.746 28.796 ( 0.261 -3.254 0.864) 3.376 28.875 ( -0.713 -3.588 -0.259) 3.667 54.248 ( -0.577 1.816 -4.197) 4.609 54.257 ( -0.312 1.014 -5.006) 5.117 54.550 ( 1.832 7.199 -0.367) 7.438 54.813 ( -1.972 -3.305 -14.958) 15.445 55.017 ( 0.104 -3.245 -2.316) 3.988 55.116 ( 1.834 -1.410 -2.914) 3.720 55.403 ( -1.305 0.492 8.007) 8.128 55.721 ( -8.911 -1.589 8.568) 12.464 56.194 ( 7.564 0.784 0.889) 7.656 56.350 ( 13.481 -5.213 -0.833) 14.478 57.237 ( -8.471 1.226 0.761) 8.593 57.466 ( -6.960 -4.104 -1.597) 8.236 ======================= Grid point 100 (39/96) ======================= q-point: ( 0.33 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 3.672 19.698 5.973) 20.908 1.819 ( -6.516 9.030 17.229) 20.514 1.928 ( -4.574 5.199 3.618) 7.813 2.312 ( -11.408 8.134 8.770) 16.529 2.529 ( 0.951 0.989 -2.835) 3.149 2.638 ( -4.426 -3.903 -5.665) 8.181 2.782 ( 4.863 -0.366 6.078) 7.793 2.958 ( 1.005 3.845 2.841) 4.885 3.157 ( 8.203 -10.172 3.306) 13.479 3.231 ( 10.909 15.733 5.659) 19.964 3.305 ( 5.360 5.071 2.370) 7.750 3.708 ( 14.274 -14.732 -3.083) 20.743 3.983 ( -12.178 11.101 0.580) 16.489 4.165 ( -4.326 -8.489 -5.094) 10.804 4.400 ( 3.183 0.986 -2.698) 4.288 4.435 ( -2.535 -2.187 -1.462) 3.653 4.542 ( -6.030 -6.521 -0.966) 8.934 4.560 ( -1.935 4.833 -3.170) 6.095 4.777 ( 2.162 3.377 0.335) 4.023 4.862 ( 8.949 -4.529 -0.661) 10.051 4.935 ( -5.341 1.233 0.562) 5.510 5.149 ( -3.971 -5.987 -3.912) 8.180 5.374 ( 1.076 -8.033 -1.971) 8.341 5.404 ( -0.427 -3.924 -2.991) 4.952 12.155 ( 8.591 4.332 0.804) 9.655 12.465 ( -4.594 3.768 -3.180) 6.740 12.863 ( 4.472 -9.835 3.405) 11.328 13.155 ( -7.709 -11.361 -0.868) 13.757 14.160 ( 4.176 5.209 0.265) 6.682 14.291 ( 0.818 4.715 -0.733) 4.841 14.334 ( 2.972 2.411 1.066) 3.972 14.565 ( -4.900 0.624 -0.931) 5.026 15.321 ( 4.285 0.752 0.486) 4.378 15.531 ( -3.173 -2.182 -1.739) 4.225 15.602 ( -0.880 -4.795 0.553) 4.907 15.706 ( -3.561 -5.482 -0.709) 6.575 26.474 ( 1.062 0.502 -1.977) 2.300 26.507 ( -0.546 -0.952 -2.492) 2.723 26.619 ( 1.828 -3.423 4.273) 5.772 26.703 ( -1.954 -4.441 3.706) 6.105 28.309 ( 1.460 6.530 -0.746) 6.732 28.363 ( 0.173 5.331 -0.166) 5.336 28.410 ( 0.282 2.112 -1.261) 2.475 28.496 ( -3.149 2.293 1.293) 4.104 28.681 ( 0.824 0.368 -1.280) 1.566 28.700 ( -0.234 -0.023 -1.516) 1.534 28.807 ( 0.876 -3.802 0.622) 3.951 28.856 ( -1.276 -3.895 -0.008) 4.098 54.238 ( -0.295 2.247 -4.043) 4.635 54.247 ( -0.594 1.573 -4.781) 5.068 54.601 ( 3.355 6.587 -3.450) 8.158 54.755 ( -3.817 1.423 -12.981) 13.605 55.041 ( 2.222 -4.287 1.141) 4.961 55.133 ( -0.622 -3.175 0.086) 3.237 55.391 ( 0.710 1.039 6.840) 6.955 55.559 ( -7.308 1.599 6.968) 10.223 56.404 ( 13.578 1.155 0.832) 13.653 56.647 ( 16.273 -7.110 -2.268) 17.903 57.012 ( -13.979 1.088 1.188) 14.072 57.270 ( -12.854 -5.582 -1.836) 14.134 ======================= Grid point 101 (40/96) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -12.598 8.986 9.013) 17.908 1.551 ( 12.598 8.986 9.013) 17.908 2.081 ( -11.632 11.281 10.590) 19.357 2.081 ( 11.632 11.281 10.590) 19.357 2.564 ( -2.823 -0.620 -5.242) 5.986 2.564 ( 2.823 -0.620 -5.242) 5.986 2.889 ( -5.557 0.061 5.251) 7.645 2.889 ( 5.557 0.061 5.251) 7.645 3.264 ( -3.003 -6.187 2.803) 7.426 3.264 ( 3.003 -6.187 2.803) 7.426 3.620 ( -18.211 16.542 2.829) 24.764 3.620 ( 18.211 16.542 2.829) 24.764 4.020 ( -10.644 -13.692 -5.006) 18.051 4.020 ( 10.644 -13.692 -5.006) 18.051 4.422 ( -1.850 -2.417 -1.411) 3.355 4.422 ( 1.850 -2.417 -1.411) 3.355 4.504 ( -3.337 3.737 -1.873) 5.349 4.504 ( 3.337 3.737 -1.873) 5.349 4.839 ( -4.247 2.232 -0.133) 4.800 4.839 ( 4.247 2.232 -0.133) 4.800 5.033 ( -7.834 -5.211 -2.026) 9.625 5.033 ( 7.834 -5.211 -2.026) 9.625 5.393 ( -0.819 -6.211 -2.743) 6.839 5.393 ( 0.819 -6.211 -2.743) 6.839 12.329 ( -8.694 4.502 -0.124) 9.792 12.329 ( 8.694 4.502 -0.124) 9.792 12.995 ( -8.263 -11.114 0.141) 13.850 12.995 ( 8.263 -11.114 0.141) 13.850 14.240 ( -3.829 5.885 0.425) 7.034 14.240 ( 3.829 5.885 0.425) 7.034 14.451 ( -6.556 0.758 -0.522) 6.620 14.451 ( 6.556 0.758 -0.522) 6.620 15.424 ( -6.065 -0.311 0.103) 6.074 15.424 ( 6.065 -0.311 0.103) 6.074 15.638 ( -3.175 -5.714 -0.886) 6.597 15.638 ( 3.175 -5.714 -0.886) 6.597 26.493 ( -0.858 -0.079 -2.343) 2.497 26.493 ( 0.858 -0.079 -2.343) 2.497 26.661 ( -2.315 -4.038 4.055) 6.173 26.661 ( 2.315 -4.038 4.055) 6.173 28.341 ( -1.732 6.439 -1.326) 6.798 28.341 ( 1.732 6.439 -1.326) 6.798 28.441 ( -2.447 2.035 1.001) 3.336 28.441 ( 2.447 2.035 1.001) 3.336 28.693 ( -0.499 0.210 -1.404) 1.505 28.693 ( 0.499 0.210 -1.404) 1.505 28.829 ( -1.363 -4.039 0.293) 4.273 28.829 ( 1.363 -4.039 0.293) 4.273 54.238 ( -0.269 2.163 -4.322) 4.840 54.238 ( 0.269 2.163 -4.322) 4.840 54.675 ( -4.174 4.920 -8.098) 10.354 54.675 ( 4.174 4.920 -8.098) 10.354 55.094 ( -2.878 -4.366 2.381) 5.746 55.094 ( 2.878 -4.366 2.381) 5.746 55.443 ( -4.520 1.790 5.502) 7.342 55.443 ( 4.520 1.790 5.502) 7.342 56.696 ( -15.504 1.500 0.339) 15.580 56.696 ( 15.504 1.500 0.339) 15.580 56.985 ( -15.713 -7.133 -1.593) 17.330 56.985 ( 15.713 -7.133 -1.593) 17.330 ======================= Grid point 105 (41/96) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.000 17.407 1.650) 17.485 2.207 ( 0.000 -3.102 -3.258) 4.499 2.427 ( 0.000 -3.901 4.381) 5.867 2.463 ( 0.000 -6.826 3.811) 7.818 2.564 ( 0.000 8.038 10.303) 13.068 2.591 ( 0.000 4.145 12.660) 13.321 2.720 ( 0.000 7.938 5.611) 9.721 2.734 ( 0.000 -3.416 -0.910) 3.535 2.918 ( 0.000 -12.249 -3.236) 12.670 3.024 ( 0.000 12.105 0.695) 12.125 3.276 ( 0.000 9.776 2.095) 9.998 3.608 ( 0.000 15.135 5.884) 16.238 4.033 ( 0.000 -9.860 -1.772) 10.018 4.177 ( 0.000 -7.807 -0.679) 7.836 4.352 ( 0.000 -5.773 -1.712) 6.022 4.490 ( 0.000 0.483 -1.148) 1.245 4.520 ( 0.000 -8.168 -4.498) 9.325 4.525 ( 0.000 1.574 -6.308) 6.501 4.778 ( 0.000 5.706 -1.756) 5.970 4.832 ( 0.000 5.098 2.919) 5.874 5.056 ( 0.000 -2.847 -3.424) 4.453 5.062 ( 0.000 -7.669 -4.270) 8.778 5.216 ( 0.000 -1.062 2.457) 2.676 5.367 ( 0.000 -3.768 -1.999) 4.266 12.074 ( 0.000 6.770 0.057) 6.771 12.384 ( 0.000 -7.643 -4.657) 8.950 12.843 ( 0.000 3.120 4.875) 5.789 13.109 ( 0.000 -9.822 0.047) 9.822 14.137 ( 0.000 2.967 -0.431) 2.998 14.181 ( 0.000 0.332 -0.742) 0.813 14.486 ( 0.000 6.095 0.214) 6.098 14.648 ( 0.000 -1.717 -1.100) 2.039 15.282 ( 0.000 2.420 -0.400) 2.453 15.426 ( 0.000 -4.862 -1.889) 5.216 15.670 ( 0.000 -1.397 0.686) 1.556 15.705 ( 0.000 -3.428 0.039) 3.428 26.461 ( 0.000 0.701 -0.285) 0.757 26.486 ( 0.000 -1.213 -1.400) 1.852 26.558 ( 0.000 -0.020 1.499) 1.499 26.656 ( 0.000 -4.162 1.842) 4.551 28.389 ( 0.000 4.612 0.169) 4.615 28.422 ( 0.000 5.219 0.824) 5.284 28.456 ( 0.000 0.928 -1.497) 1.761 28.610 ( 0.000 -2.602 0.965) 2.775 28.648 ( 0.000 1.122 -1.136) 1.597 28.679 ( 0.000 -0.933 -2.279) 2.463 28.753 ( 0.000 -0.937 0.268) 0.974 28.816 ( 0.000 -3.245 -0.366) 3.266 54.307 ( 0.000 4.253 -5.175) 6.699 54.308 ( 0.000 4.105 -5.472) 6.841 54.581 ( 0.000 -3.334 -5.136) 6.123 54.655 ( 0.000 -10.128 -7.600) 12.663 55.023 ( 0.000 4.268 -0.630) 4.314 55.125 ( 0.000 1.520 -5.160) 5.380 55.456 ( 0.000 3.026 4.440) 5.373 55.690 ( 0.000 -8.165 6.023) 10.146 56.135 ( 0.000 0.799 0.808) 1.136 56.170 ( 0.000 -0.908 0.334) 0.968 57.353 ( 0.000 2.103 0.083) 2.105 57.465 ( 0.000 -3.452 -1.025) 3.601 ======================= Grid point 106 (42/96) ======================= q-point: ( 0.17 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 1.340 17.305 2.116) 17.486 2.114 ( -6.789 -1.120 0.640) 6.910 2.281 ( -13.062 14.468 13.484) 23.702 2.450 ( 1.847 -3.460 3.412) 5.199 2.516 ( -1.543 -3.834 3.253) 5.259 2.646 ( -1.436 1.019 -1.875) 2.572 2.716 ( 2.252 -2.279 6.395) 7.153 2.806 ( 4.918 1.434 7.183) 8.823 3.039 ( 6.200 -4.982 -3.358) 8.634 3.114 ( 9.965 -4.824 0.424) 11.080 3.344 ( 7.352 13.817 3.206) 15.977 3.511 ( -7.394 12.793 5.617) 15.808 4.002 ( -2.873 -9.927 -2.068) 10.539 4.272 ( 6.425 -8.639 -0.296) 10.770 4.350 ( 0.862 -3.314 -2.940) 4.514 4.410 ( -6.965 3.831 -1.230) 8.044 4.517 ( -1.514 0.102 -4.454) 4.705 4.578 ( 5.103 -5.361 -3.834) 8.335 4.758 ( -1.345 5.135 -1.619) 5.550 4.846 ( 1.104 5.500 2.147) 6.007 5.029 ( -3.145 -4.579 -3.232) 6.427 5.068 ( 0.865 -3.808 -4.027) 5.609 5.213 ( -0.399 -3.268 1.801) 3.753 5.350 ( -1.637 -4.260 -2.024) 4.992 12.125 ( 5.143 6.712 0.161) 8.457 12.427 ( 4.187 -6.818 -4.628) 9.243 12.801 ( -4.171 2.433 4.814) 6.819 13.065 ( -4.453 -9.895 -0.093) 10.852 14.169 ( 3.150 3.232 -0.375) 4.528 14.221 ( 3.990 0.229 -0.722) 4.062 14.471 ( -1.499 5.968 0.195) 6.157 14.627 ( -2.212 -1.553 -1.023) 2.890 15.296 ( 1.502 2.228 -0.356) 2.711 15.436 ( 1.050 -4.822 -1.846) 5.269 15.633 ( -3.600 -1.213 0.632) 3.850 15.678 ( -2.711 -3.658 -0.110) 4.555 26.471 ( 0.951 0.786 -0.435) 1.308 26.489 ( 0.338 -0.887 -1.358) 1.657 26.558 ( 0.040 -0.522 1.608) 1.691 26.647 ( -0.893 -4.081 1.844) 4.566 28.399 ( 0.987 4.713 0.091) 4.816 28.430 ( 0.796 4.869 0.756) 4.991 28.457 ( 0.074 1.339 -1.456) 1.980 28.588 ( -1.984 -0.274 0.663) 2.110 28.654 ( 0.629 -0.735 -0.872) 1.303 28.685 ( 0.431 -0.853 -2.111) 2.317 28.747 ( -0.518 -1.361 0.294) 1.486 28.806 ( -0.961 -3.349 -0.348) 3.501 54.307 ( 0.010 4.584 -5.099) 6.856 54.309 ( 0.061 4.405 -5.507) 7.052 54.587 ( 0.614 -4.134 -5.931) 7.255 54.653 ( -0.263 -10.140 -8.218) 13.055 55.035 ( 1.304 5.152 0.337) 5.325 55.145 ( 1.896 2.113 -4.162) 5.038 55.432 ( -2.280 2.300 4.831) 5.816 55.636 ( -4.910 -6.327 5.624) 9.786 56.213 ( 7.945 1.095 0.761) 8.056 56.276 ( 10.218 -2.647 0.019) 10.555 57.270 ( -8.382 2.166 0.163) 8.659 57.388 ( -7.850 -3.785 -1.034) 8.776 ======================= Grid point 107 (43/96) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 0.217 17.685 4.868) 18.344 1.960 ( -9.432 10.103 6.395) 15.229 2.153 ( 1.822 10.416 12.102) 16.071 2.425 ( -6.250 -0.499 5.492) 8.335 2.498 ( 1.211 -4.460 1.228) 4.782 2.576 ( -3.627 5.749 -0.962) 6.865 2.815 ( 6.480 -4.092 1.070) 7.738 2.920 ( 7.370 -2.338 6.136) 9.871 3.052 ( -3.060 -3.162 -0.897) 4.490 3.284 ( -8.719 3.476 4.398) 10.366 3.388 ( 13.910 -16.043 -0.810) 21.249 3.612 ( 12.549 13.307 2.980) 18.532 3.925 ( -4.556 -8.621 -2.300) 10.018 4.226 ( -11.222 9.393 -0.292) 14.638 4.311 ( 0.719 -10.845 -0.556) 10.883 4.435 ( -1.047 -0.174 -4.112) 4.246 4.488 ( 4.323 3.409 -1.519) 5.711 4.665 ( 0.787 3.995 -4.138) 5.805 4.762 ( 3.553 -2.749 -1.245) 4.662 4.882 ( 3.151 5.563 0.948) 6.464 4.950 ( -4.599 -2.621 -2.474) 5.843 5.067 ( -1.979 -0.304 -2.923) 3.543 5.212 ( 0.948 -7.800 -0.007) 7.858 5.308 ( -2.588 -5.833 -2.087) 6.713 12.263 ( 8.631 6.664 0.368) 10.911 12.518 ( 2.906 -0.658 -4.279) 5.214 12.709 ( -3.074 -3.431 4.386) 6.360 12.943 ( -7.798 -10.140 -0.350) 12.796 14.251 ( 4.962 3.940 -0.254) 6.341 14.324 ( 6.270 0.061 -0.750) 6.315 14.427 ( -3.085 5.431 0.175) 6.249 14.561 ( -4.554 -1.116 -0.829) 4.761 15.343 ( 3.386 1.631 -0.242) 3.766 15.467 ( 1.911 -4.264 -1.754) 4.991 15.543 ( -5.127 -1.056 0.566) 5.266 15.609 ( -4.034 -4.214 -0.495) 5.855 26.492 ( 0.898 0.945 -0.906) 1.587 26.498 ( 0.474 0.230 -1.270) 1.375 26.564 ( 0.681 -2.070 1.961) 2.931 26.622 ( -1.625 -3.826 1.883) 4.563 28.423 ( 1.418 4.985 -0.345) 5.194 28.452 ( 1.247 3.889 0.494) 4.114 28.457 ( 0.114 2.373 -1.022) 2.586 28.542 ( -2.648 1.614 0.728) 3.186 28.670 ( 0.852 -1.204 -0.919) 1.738 28.691 ( 0.091 -0.586 -1.776) 1.872 28.739 ( -0.065 -2.783 0.273) 2.797 28.781 ( -1.544 -3.591 -0.281) 3.919 54.308 ( 0.062 5.180 -5.100) 7.269 54.310 ( -0.007 5.054 -5.426) 7.415 54.603 ( 1.047 -6.117 -7.706) 9.894 54.643 ( -0.743 -9.699 -9.199) 13.388 55.077 ( 3.054 6.816 2.339) 7.826 55.178 ( 0.536 5.277 -1.138) 5.425 55.390 ( -1.013 -0.926 4.792) 4.984 55.526 ( -5.940 -4.439 4.380) 8.612 56.431 ( 14.066 1.652 0.622) 14.176 56.536 ( 15.772 -4.374 -0.594) 16.378 57.043 ( -14.369 2.165 0.375) 14.536 57.171 ( -14.048 -4.504 -1.000) 14.787 ======================= Grid point 108 (44/96) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -4.577 16.708 7.971) 19.070 1.816 ( 4.577 16.708 7.971) 19.070 2.271 ( -8.386 4.450 8.864) 12.989 2.271 ( 8.387 4.450 8.864) 12.989 2.526 ( -1.787 0.037 -0.878) 1.991 2.526 ( 1.787 0.037 -0.878) 1.991 2.946 ( -6.453 -2.032 -0.330) 6.773 2.946 ( 6.453 -2.032 -0.330) 6.773 3.095 ( -9.468 -1.943 5.625) 11.183 3.095 ( 9.468 -1.943 5.625) 11.183 3.647 ( -10.245 -15.795 -1.617) 18.896 3.647 ( 10.245 -15.795 -1.617) 18.896 3.989 ( -11.922 12.704 0.841) 17.442 3.989 ( 11.922 12.704 0.841) 17.442 4.358 ( -3.998 -4.843 -1.482) 6.452 4.358 ( 3.998 -4.843 -1.482) 6.452 4.608 ( -5.339 6.584 -3.185) 9.056 4.608 ( 5.339 6.584 -3.185) 9.056 4.855 ( -4.772 -3.273 -2.045) 6.138 4.855 ( 4.772 -3.273 -2.045) 6.138 4.982 ( -5.933 2.606 -0.631) 6.511 4.982 ( 5.933 2.606 -0.631) 6.511 5.254 ( -2.863 -7.918 -1.806) 8.612 5.254 ( 2.863 -7.918 -1.806) 8.612 12.439 ( -8.628 6.765 -0.067) 10.964 12.439 ( 8.628 6.765 -0.067) 10.964 12.781 ( -8.093 -10.549 0.099) 13.296 12.781 ( 8.093 -10.549 0.099) 13.296 14.347 ( -4.604 4.879 -0.184) 6.711 14.347 ( 4.604 4.879 -0.184) 6.711 14.454 ( -6.271 -0.599 -0.577) 6.326 14.454 ( 6.271 -0.599 -0.577) 6.326 15.426 ( -4.989 0.721 -0.201) 5.045 15.426 ( 4.989 0.721 -0.201) 5.045 15.534 ( -3.416 -4.796 -0.825) 5.946 15.534 ( 3.416 -4.796 -0.825) 5.946 26.502 ( -0.175 0.991 -1.186) 1.556 26.502 ( 0.175 0.991 -1.186) 1.556 26.588 ( -1.703 -3.354 2.022) 4.270 26.588 ( 1.703 -3.354 2.022) 4.270 28.446 ( -0.839 4.307 -0.996) 4.500 28.446 ( 0.839 4.307 -0.996) 4.500 28.491 ( -2.400 2.523 0.904) 3.598 28.491 ( 2.400 2.523 0.904) 3.598 28.685 ( -0.662 -0.667 -1.212) 1.534 28.685 ( 0.662 -0.667 -1.212) 1.534 28.752 ( -1.296 -3.732 -0.088) 3.952 28.752 ( 1.296 -3.732 -0.088) 3.952 54.309 ( -0.075 5.424 -5.244) 7.545 54.309 ( 0.075 5.424 -5.244) 7.545 54.625 ( -1.102 -8.273 -9.118) 12.361 54.625 ( 1.102 -8.273 -9.118) 12.361 55.145 ( -3.394 7.811 2.638) 8.916 55.145 ( 3.394 7.811 2.638) 8.916 55.423 ( -4.168 -3.777 3.435) 6.590 55.423 ( 4.168 -3.777 3.435) 6.590 56.732 ( -15.656 2.235 0.173) 15.816 56.732 ( 15.656 2.235 0.173) 15.816 56.866 ( -16.210 -5.073 -0.576) 16.995 56.866 ( 16.210 -5.073 -0.576) 16.995 ======================= Grid point 112 (45/96) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 0.000 -11.945 -0.765) 11.970 2.032 ( 0.000 11.945 -0.765) 11.970 2.387 ( 0.000 -0.641 4.899) 4.941 2.387 ( 0.000 0.641 4.899) 4.941 2.636 ( 0.000 -0.873 11.448) 11.481 2.636 ( 0.000 0.873 11.448) 11.481 2.740 ( 0.000 -4.293 -1.426) 4.524 2.740 ( 0.000 4.293 -1.426) 4.524 2.979 ( 0.000 -12.369 1.616) 12.474 2.979 ( 0.000 12.369 1.616) 12.474 3.607 ( 0.000 -17.454 2.956) 17.703 3.607 ( 0.000 17.454 2.956) 17.703 4.006 ( 0.000 -9.676 2.669) 10.037 4.006 ( 0.000 9.676 2.669) 10.037 4.336 ( 0.000 -4.611 -5.191) 6.943 4.336 ( 0.000 4.611 -5.191) 6.943 4.537 ( 0.000 -0.644 -4.445) 4.491 4.537 ( 0.000 0.644 -4.445) 4.491 4.911 ( 0.000 -7.034 -3.374) 7.801 4.911 ( 0.000 7.034 -3.374) 7.801 4.944 ( 0.000 -5.894 0.612) 5.926 4.944 ( 0.000 5.894 0.612) 5.926 5.280 ( 0.000 -4.891 -0.215) 4.895 5.280 ( 0.000 4.891 -0.215) 4.895 12.223 ( 0.000 -8.331 -1.664) 8.496 12.223 ( 0.000 8.331 -1.664) 8.496 12.945 ( 0.000 -6.989 1.781) 7.213 12.945 ( 0.000 6.989 1.781) 7.213 14.175 ( 0.000 -1.004 -0.692) 1.219 14.175 ( 0.000 1.004 -0.692) 1.219 14.589 ( 0.000 -4.318 -0.613) 4.361 14.589 ( 0.000 4.318 -0.613) 4.361 15.341 ( 0.000 -3.737 -1.305) 3.958 15.341 ( 0.000 3.737 -1.305) 3.958 15.663 ( 0.000 -0.856 0.417) 0.952 15.663 ( 0.000 0.856 0.417) 0.952 26.471 ( 0.000 -0.444 -0.269) 0.519 26.471 ( 0.000 0.444 -0.269) 0.519 26.587 ( 0.000 -2.743 0.825) 2.865 26.587 ( 0.000 2.743 0.825) 2.865 28.451 ( 0.000 -1.682 -0.284) 1.705 28.451 ( 0.000 1.682 -0.284) 1.705 28.527 ( 0.000 -5.245 0.676) 5.289 28.527 ( 0.000 5.245 0.676) 5.289 28.665 ( 0.000 -0.776 -1.490) 1.680 28.665 ( 0.000 0.776 -1.490) 1.680 28.764 ( 0.000 -1.904 -0.371) 1.940 28.764 ( 0.000 1.904 -0.371) 1.940 54.384 ( 0.000 -0.165 -6.735) 6.737 54.384 ( 0.000 0.165 -6.735) 6.737 54.508 ( 0.000 -1.408 -5.141) 5.330 54.508 ( 0.000 1.408 -5.141) 5.330 55.113 ( 0.000 -3.094 -1.676) 3.518 55.113 ( 0.000 3.094 -1.676) 3.518 55.544 ( 0.000 -6.275 3.363) 7.120 55.544 ( 0.000 6.275 3.363) 7.120 56.152 ( 0.000 -0.930 0.613) 1.114 56.152 ( 0.000 0.930 0.613) 1.114 57.403 ( 0.000 -2.944 -0.494) 2.985 57.403 ( 0.000 2.944 -0.494) 2.985 ======================= Grid point 114 (46/96) ======================= q-point: ( 0.17 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -0.312 -8.831 1.825) 9.023 2.024 ( -0.312 8.831 1.825) 9.023 2.384 ( -1.593 -4.203 3.344) 5.602 2.384 ( -1.593 4.203 3.344) 5.602 2.579 ( -3.055 -6.929 10.209) 12.711 2.579 ( -3.055 6.929 10.209) 12.711 2.819 ( 5.496 -10.156 -1.995) 11.718 2.819 ( 5.496 10.156 -1.995) 11.718 2.967 ( -0.035 -11.730 3.357) 12.201 2.967 ( -0.035 11.730 3.357) 12.201 3.612 ( -1.030 -9.266 2.343) 9.613 3.612 ( -1.030 9.266 2.343) 9.613 3.982 ( -0.103 -13.242 1.493) 13.327 3.982 ( -0.103 13.242 1.493) 13.327 4.420 ( 5.846 -5.151 -4.813) 9.158 4.420 ( 5.846 5.151 -4.813) 9.158 4.507 ( -1.966 -0.751 -2.724) 3.442 4.507 ( -1.966 0.751 -2.724) 3.442 4.889 ( -1.844 -7.535 -3.405) 8.472 4.889 ( -1.844 7.535 -3.405) 8.472 4.963 ( 1.591 -6.466 0.032) 6.658 4.963 ( 1.591 6.466 0.032) 6.658 5.256 ( -2.358 -4.935 -0.308) 5.478 5.256 ( -2.358 4.935 -0.308) 5.478 12.273 ( 5.006 -8.201 -1.439) 9.715 12.273 ( 5.006 8.201 -1.439) 9.715 12.899 ( -4.645 -7.061 1.530) 8.589 12.899 ( -4.645 7.061 1.530) 8.589 14.212 ( 3.654 -1.248 -0.646) 3.915 14.212 ( 3.654 1.248 -0.646) 3.915 14.572 ( -1.839 -4.125 -0.593) 4.555 14.572 ( -1.839 4.125 -0.593) 4.555 15.353 ( 1.198 -3.637 -1.223) 4.019 15.353 ( 1.198 3.637 -1.223) 4.019 15.631 ( -3.178 -1.098 0.284) 3.374 15.631 ( -3.178 1.098 0.284) 3.374 26.479 ( 0.881 -0.254 -0.190) 0.936 26.479 ( 0.881 0.254 -0.190) 0.936 26.580 ( -0.670 -2.575 0.757) 2.766 26.580 ( -0.670 2.575 0.757) 2.766 28.459 ( 0.805 -1.414 -0.259) 1.647 28.459 ( 0.805 1.414 -0.259) 1.647 28.528 ( 0.056 -4.817 0.556) 4.849 28.528 ( 0.056 4.817 0.556) 4.849 28.664 ( -0.015 -1.224 -1.351) 1.823 28.664 ( -0.015 1.224 -1.351) 1.823 28.753 ( -1.043 -1.849 -0.397) 2.160 28.753 ( -1.043 1.849 -0.397) 2.160 54.393 ( 0.906 -0.279 -6.791) 6.857 54.393 ( 0.906 0.279 -6.791) 6.857 54.501 ( -0.787 -1.364 -5.508) 5.729 54.501 ( -0.787 1.364 -5.508) 5.729 55.137 ( 2.444 -3.476 -1.011) 4.367 55.137 ( 2.444 3.476 -1.011) 4.367 55.509 ( -3.467 -5.819 3.274) 7.523 55.509 ( -3.467 5.819 3.274) 7.523 56.238 ( 8.628 -1.524 0.491) 8.776 56.238 ( 8.628 1.524 0.491) 8.776 57.321 ( -8.245 -3.073 -0.446) 8.811 57.321 ( -8.245 3.073 -0.446) 8.811 ======================= Grid point 116 (47/96) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 2.761 -8.697 5.549) 10.679 2.044 ( 2.761 8.697 5.549) 10.679 2.283 ( -7.769 -10.487 6.369) 14.522 2.283 ( -7.769 10.487 6.369) 14.522 2.594 ( 4.132 -12.030 4.559) 13.513 2.594 ( 4.132 12.030 4.559) 13.513 2.816 ( -4.834 -15.585 -0.240) 16.320 2.816 ( -4.834 15.585 -0.240) 16.320 3.087 ( 11.045 -13.287 2.137) 17.410 3.087 ( 11.045 13.287 2.137) 17.410 3.518 ( -8.357 -14.527 1.302) 16.810 3.518 ( -8.357 14.527 1.302) 16.810 4.056 ( 7.114 -14.304 0.591) 15.987 4.056 ( 7.114 14.304 0.591) 15.987 4.375 ( -6.987 -5.418 -2.618) 9.221 4.375 ( -6.987 5.418 -2.618) 9.221 4.604 ( 7.934 -6.543 -2.459) 10.574 4.604 ( 7.934 6.543 -2.459) 10.574 4.838 ( -3.646 -6.748 -3.543) 8.449 4.838 ( -3.646 6.748 -3.543) 8.449 5.011 ( 3.556 -6.969 -0.593) 7.847 5.011 ( 3.556 6.969 -0.593) 7.847 5.191 ( -4.300 -5.415 -0.557) 6.937 5.191 ( -4.300 5.415 -0.557) 6.937 12.408 ( 8.616 -7.884 -0.827) 11.708 12.408 ( 8.616 7.884 -0.827) 11.708 12.771 ( -8.278 -7.250 0.870) 11.038 12.771 ( -8.278 7.250 0.870) 11.038 14.307 ( 5.808 -1.858 -0.558) 6.123 14.307 ( 5.808 1.858 -0.558) 6.123 14.516 ( -3.895 -3.548 -0.547) 5.297 14.516 ( -3.895 3.548 -0.547) 5.297 15.390 ( 2.728 -3.272 -0.968) 4.369 15.390 ( 2.728 3.272 -0.968) 4.369 15.550 ( -4.778 -1.748 -0.079) 5.088 15.550 ( -4.778 1.748 -0.079) 5.088 26.503 ( 1.461 -0.527 0.021) 1.553 26.503 ( 1.461 0.527 0.021) 1.553 26.561 ( -1.252 -2.078 0.567) 2.491 26.561 ( -1.252 2.078 0.567) 2.491 28.480 ( 1.318 -0.572 -0.189) 1.449 28.480 ( 1.318 0.572 -0.189) 1.449 28.524 ( -0.548 -3.254 0.237) 3.308 28.524 ( -0.548 3.254 0.237) 3.308 28.670 ( 0.709 -1.383 -0.985) 1.840 28.670 ( 0.709 1.383 -0.985) 1.840 28.726 ( -1.674 -1.666 -0.478) 2.410 28.726 ( -1.674 1.666 -0.478) 2.410 54.417 ( 1.505 -0.570 -6.871) 7.057 54.417 ( 1.505 0.570 -6.871) 7.057 54.479 ( -1.401 -1.208 -6.236) 6.504 54.479 ( -1.401 1.208 -6.236) 6.504 55.206 ( 4.514 -4.144 0.485) 6.147 55.206 ( 4.514 4.144 0.485) 6.147 55.419 ( -5.513 -5.101 2.872) 8.041 55.419 ( -5.513 5.101 2.872) 8.041 56.470 ( 14.805 -2.526 0.215) 15.021 56.470 ( 14.805 2.526 0.215) 15.021 57.096 ( -14.425 -3.266 -0.304) 14.793 57.096 ( -14.425 3.266 -0.304) 14.793 ======================= Grid point 118 (48/96) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -5.705 -14.350 7.293) 17.078 2.136 ( 4.575 -14.249 7.293) 16.648 2.136 ( -4.575 14.249 7.293) 16.648 2.136 ( 5.705 14.350 7.293) 17.078 2.701 ( -6.278 -14.453 1.636) 15.842 2.701 ( 6.274 -14.452 1.636) 15.840 2.701 ( -6.274 14.452 1.636) 15.840 2.701 ( 6.278 14.453 1.636) 15.842 3.317 ( -11.755 -16.494 1.100) 20.284 3.317 ( 11.672 -16.480 1.100) 20.225 3.317 ( -11.672 16.480 1.100) 20.225 3.317 ( 11.755 16.494 1.100) 20.284 4.217 ( -8.749 -9.668 -0.629) 13.054 4.217 ( 8.588 -9.632 -0.629) 12.920 4.217 ( -8.588 9.632 -0.629) 12.920 4.217 ( 8.749 9.668 -0.629) 13.054 4.743 ( -5.878 -6.851 -3.070) 9.535 4.743 ( 4.692 -6.619 -3.070) 8.675 4.743 ( -4.692 6.619 -3.070) 8.675 4.743 ( 5.878 6.851 -3.070) 9.535 5.098 ( -4.564 -7.628 -0.800) 8.925 5.098 ( 3.540 -7.491 -0.800) 8.324 5.098 ( -3.540 7.491 -0.800) 8.324 5.098 ( 4.564 7.628 -0.800) 8.925 12.591 ( -9.166 -8.708 0.011) 12.643 12.591 ( 4.789 -7.781 0.011) 9.137 12.591 ( -4.789 7.781 0.011) 9.137 12.591 ( 9.166 8.708 0.011) 12.643 14.422 ( -5.629 -2.738 -0.519) 6.281 14.422 ( -1.311 0.096 -0.519) 1.414 14.422 ( 1.311 -0.096 -0.519) 1.414 14.422 ( 5.629 2.739 -0.519) 6.281 15.459 ( -4.223 -2.722 -0.552) 5.054 15.459 ( 1.764 -1.931 -0.552) 2.673 15.459 ( -1.764 1.931 -0.552) 2.673 15.459 ( 4.223 2.722 -0.552) 5.054 26.533 ( -1.200 -2.172 0.299) 2.500 26.533 ( 0.454 -2.100 0.299) 2.169 26.533 ( -0.454 2.100 0.299) 2.169 26.533 ( 1.200 2.172 0.299) 2.500 28.506 ( -1.095 -1.430 -0.050) 1.801 28.506 ( 0.534 -1.347 -0.050) 1.450 28.506 ( -0.534 1.347 -0.050) 1.450 28.506 ( 1.095 1.430 -0.050) 1.801 28.693 ( -1.330 -1.900 -0.649) 2.408 28.693 ( 0.639 -1.808 -0.649) 2.024 28.693 ( -0.639 1.808 -0.649) 2.024 28.693 ( 1.330 1.900 -0.649) 2.408 54.448 ( -0.334 -8.633 -6.746) 10.961 54.448 ( 0.017 -8.631 -6.746) 10.955 54.448 ( -0.017 8.631 -6.746) 10.955 54.448 ( 0.334 8.633 -6.746) 10.961 55.307 ( -4.421 -7.529 1.940) 8.944 55.307 ( 1.568 -7.240 1.940) 7.658 55.307 ( -1.568 7.240 1.940) 7.658 55.307 ( 4.421 7.529 1.940) 8.944 56.785 ( -16.809 -3.243 -0.076) 17.120 56.785 ( -16.544 2.881 -0.076) 16.793 56.785 ( 16.544 -2.881 -0.076) 16.793 56.785 ( 16.809 3.243 -0.076) 17.120 ======================= Grid point 154 (49/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.000 0.000 21.076) 21.076 1.075 ( 0.000 0.000 23.908) 23.908 1.858 ( 0.000 0.000 31.736) 31.736 2.029 ( 0.000 0.000 -10.846) 10.846 2.399 ( 0.000 0.000 4.485) 4.485 2.871 ( 0.000 0.000 5.056) 5.056 2.872 ( 0.000 0.000 -1.012) 1.012 3.130 ( 0.000 0.000 9.940) 9.940 3.195 ( 0.000 0.000 0.823) 0.823 3.245 ( 0.000 0.000 -0.135) 0.135 3.466 ( 0.000 0.000 0.848) 0.848 3.816 ( 0.000 0.000 3.352) 3.352 3.957 ( 0.000 0.000 2.595) 2.595 4.068 ( 0.000 0.000 -9.079) 9.079 4.117 ( 0.000 0.000 -6.589) 6.589 4.133 ( 0.000 0.000 -5.269) 5.269 4.511 ( 0.000 0.000 2.764) 2.764 4.572 ( 0.000 0.000 4.846) 4.846 4.821 ( 0.000 0.000 2.163) 2.163 4.847 ( 0.000 0.000 -3.043) 3.043 5.280 ( 0.000 0.000 -6.758) 6.758 5.284 ( 0.000 0.000 -10.746) 10.746 5.376 ( 0.000 0.000 -4.242) 4.242 5.566 ( 0.000 0.000 -6.747) 6.747 11.934 ( 0.000 0.000 4.891) 4.891 12.317 ( 0.000 0.000 -6.720) 6.720 13.264 ( 0.000 0.000 7.907) 7.907 13.708 ( 0.000 0.000 -5.148) 5.148 13.894 ( 0.000 0.000 1.753) 1.753 14.040 ( 0.000 0.000 -1.903) 1.903 14.266 ( 0.000 0.000 5.226) 5.226 14.556 ( 0.000 0.000 -3.003) 3.003 15.247 ( 0.000 0.000 4.871) 4.871 15.591 ( 0.000 0.000 -4.970) 4.970 15.879 ( 0.000 0.000 1.945) 1.945 15.978 ( 0.000 0.000 -0.895) 0.895 26.523 ( 0.000 0.000 -0.647) 0.647 26.527 ( 0.000 0.000 -2.247) 2.247 27.077 ( 0.000 0.000 6.511) 6.511 27.295 ( 0.000 0.000 -1.155) 1.155 27.988 ( 0.000 0.000 1.427) 1.427 28.022 ( 0.000 0.000 -0.347) 0.347 28.275 ( 0.000 0.000 2.267) 2.267 28.517 ( 0.000 0.000 0.783) 0.783 28.517 ( 0.000 0.000 -5.123) 5.123 28.541 ( 0.000 0.000 -0.751) 0.751 28.982 ( 0.000 0.000 1.504) 1.504 28.998 ( 0.000 0.000 -0.123) 0.123 53.997 ( 0.000 0.000 8.083) 8.083 54.056 ( 0.000 0.000 6.900) 6.900 54.751 ( 0.000 0.000 -3.871) 3.871 54.767 ( 0.000 0.000 -3.962) 3.962 54.819 ( 0.000 0.000 8.988) 8.988 55.277 ( 0.000 0.000 -3.705) 3.705 55.628 ( 0.000 0.000 0.335) 0.335 55.708 ( 0.000 0.000 -1.440) 1.440 56.132 ( 0.000 0.000 0.874) 0.874 56.198 ( 0.000 0.000 -0.885) 0.885 57.348 ( 0.000 0.000 2.788) 2.788 57.595 ( 0.000 0.000 -3.647) 3.647 ======================= Grid point 155 (50/96) ======================= q-point: ( 0.17 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 17.741 0.000 17.088) 24.632 1.285 ( 18.747 0.000 18.918) 26.633 1.958 ( 10.133 0.000 28.621) 30.362 2.105 ( 7.597 0.000 -10.271) 12.775 2.442 ( 3.419 0.000 9.614) 10.204 2.712 ( -9.858 0.000 -0.009) 9.858 2.924 ( 1.118 0.000 0.634) 1.285 2.962 ( -17.806 0.000 3.166) 18.085 3.172 ( 2.997 0.000 8.676) 9.179 3.185 ( -9.264 0.000 -2.815) 9.682 3.412 ( -5.050 0.000 1.560) 5.286 3.808 ( -12.611 0.000 5.891) 13.919 3.924 ( 9.304 0.000 3.413) 9.911 4.144 ( 3.535 0.000 -12.522) 13.012 4.179 ( 6.606 0.000 -6.197) 9.057 4.211 ( 6.654 0.000 -4.512) 8.040 4.544 ( 3.268 0.000 1.753) 3.708 4.555 ( -1.535 0.000 4.511) 4.765 4.820 ( -2.758 0.000 -3.007) 4.080 4.879 ( 4.984 0.000 0.104) 4.985 5.144 ( -9.210 0.000 -7.360) 11.789 5.284 ( 0.009 0.000 -7.799) 7.799 5.421 ( 1.530 0.000 -5.284) 5.501 5.574 ( 0.183 0.000 -5.523) 5.526 11.988 ( 5.161 0.000 3.513) 6.243 12.315 ( -0.350 0.000 -5.666) 5.677 13.271 ( 0.915 0.000 6.781) 6.843 13.665 ( -4.281 0.000 -4.688) 6.348 13.921 ( 2.626 0.000 1.895) 3.238 14.062 ( 1.879 0.000 -1.415) 2.352 14.268 ( 0.408 0.000 4.557) 4.575 14.537 ( -2.020 0.000 -2.748) 3.410 15.270 ( 2.435 0.000 4.405) 5.033 15.589 ( -0.488 0.000 -4.607) 4.633 15.852 ( -2.328 0.000 1.942) 3.032 15.956 ( -2.109 0.000 -0.998) 2.333 26.503 ( -1.238 0.000 -0.750) 1.448 26.531 ( -0.278 0.000 -1.887) 1.908 27.064 ( -1.293 0.000 6.849) 6.970 27.200 ( -7.310 0.000 4.029) 8.347 27.991 ( 0.307 0.000 1.311) 1.347 28.021 ( -0.148 0.000 -0.228) 0.272 28.321 ( 3.687 0.000 -0.186) 3.691 28.506 ( -1.052 0.000 -4.630) 4.748 28.518 ( 0.136 0.000 0.677) 0.690 28.539 ( -0.184 0.000 -0.653) 0.679 28.979 ( 0.101 0.000 1.387) 1.391 29.009 ( 0.628 0.000 -0.185) 0.654 54.001 ( 0.400 0.000 8.007) 8.017 54.052 ( -0.394 0.000 6.983) 6.994 54.752 ( 0.106 0.000 -3.881) 3.882 54.766 ( -0.111 0.000 -3.959) 3.960 54.837 ( 1.908 0.000 9.074) 9.273 55.268 ( -2.485 0.000 -1.921) 3.141 55.501 ( -9.642 0.000 5.526) 11.114 55.624 ( -2.615 0.000 0.122) 2.618 56.205 ( 7.386 0.000 1.369) 7.511 56.447 ( 17.748 0.000 -9.083) 19.937 57.270 ( -7.650 0.000 2.958) 8.202 57.545 ( -5.194 0.000 -4.390) 6.801 ======================= Grid point 156 (51/96) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 24.295 0.000 11.330) 26.807 1.683 ( 20.345 0.000 14.935) 25.238 2.215 ( 12.312 0.000 19.113) 22.735 2.290 ( 8.470 0.000 -7.950) 11.616 2.386 ( -8.288 0.000 15.980) 18.002 2.584 ( -18.022 0.000 4.455) 18.564 2.635 ( 1.757 0.000 -2.285) 2.882 2.937 ( -14.945 0.000 -4.716) 15.671 2.949 ( 3.159 0.000 -0.488) 3.197 3.216 ( 1.615 0.000 7.998) 8.159 3.300 ( -5.879 0.000 5.009) 7.723 3.508 ( -17.131 0.000 8.229) 19.005 4.115 ( 9.461 0.000 3.203) 9.989 4.215 ( 3.765 0.000 -8.416) 9.220 4.281 ( 2.717 0.000 -10.852) 11.187 4.321 ( 2.409 0.000 -1.433) 2.804 4.539 ( 1.415 0.000 1.801) 2.290 4.632 ( 5.647 0.000 -0.789) 5.702 4.743 ( -5.167 0.000 -2.843) 5.897 4.902 ( -6.047 0.000 -5.955) 8.487 5.067 ( 4.612 0.000 -3.856) 6.012 5.271 ( -2.111 0.000 -9.610) 9.839 5.443 ( 1.576 0.000 -2.806) 3.218 5.554 ( -2.321 0.000 -3.487) 4.189 12.108 ( 6.585 0.000 1.548) 6.764 12.294 ( -2.102 0.000 -3.144) 3.782 13.312 ( 3.620 0.000 3.590) 5.098 13.552 ( -6.998 0.000 -3.151) 7.675 13.987 ( 3.796 0.000 2.203) 4.389 14.087 ( -0.007 0.000 0.657) 0.657 14.299 ( 3.168 0.000 1.901) 3.695 14.477 ( -4.095 0.000 -1.981) 4.549 15.342 ( 4.925 0.000 3.006) 5.770 15.553 ( -3.655 0.000 -2.480) 4.417 15.818 ( -0.465 0.000 0.858) 0.975 15.902 ( -3.266 0.000 -1.115) 3.451 26.486 ( -0.323 0.000 -0.510) 0.604 26.516 ( -1.202 0.000 -1.634) 2.028 27.037 ( -1.093 0.000 7.771) 7.848 27.086 ( -4.017 0.000 7.182) 8.229 27.999 ( 0.478 0.000 0.992) 1.101 28.016 ( -0.320 0.000 0.101) 0.336 28.389 ( 3.099 0.000 -2.156) 3.775 28.479 ( -1.701 0.000 -3.757) 4.124 28.522 ( 0.259 0.000 0.389) 0.467 28.534 ( -0.307 0.000 -0.382) 0.490 28.988 ( 0.700 0.000 1.082) 1.288 29.014 ( -0.222 0.000 0.062) 0.230 54.012 ( 0.690 0.000 7.797) 7.827 54.042 ( -0.685 0.000 7.206) 7.238 54.755 ( 0.186 0.000 -3.903) 3.908 54.763 ( -0.190 0.000 -3.948) 3.953 54.894 ( 3.973 0.000 9.246) 10.064 55.139 ( -8.541 0.000 7.268) 11.215 55.444 ( 1.734 0.000 0.363) 1.771 55.567 ( -3.318 0.000 -0.850) 3.425 56.407 ( 12.942 0.000 2.038) 13.102 56.748 ( 10.382 0.000 -9.600) 14.140 57.094 ( -7.485 0.000 1.604) 7.655 57.396 ( -10.027 0.000 -6.108) 11.741 ======================= Grid point 157 (52/96) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -17.051 0.000 15.277) 22.894 2.047 ( 17.051 0.000 15.277) 22.894 2.053 ( -23.973 0.000 6.694) 24.891 2.053 ( 23.973 0.000 6.694) 24.891 2.551 ( -11.338 0.000 4.157) 12.076 2.551 ( 11.338 0.000 4.157) 12.076 2.640 ( -14.698 0.000 -5.767) 15.789 2.640 ( 14.698 0.000 -5.767) 15.789 3.123 ( -13.309 0.000 7.015) 15.045 3.123 ( 13.309 0.000 7.015) 15.045 3.266 ( -4.650 0.000 6.942) 8.356 3.266 ( 4.650 0.000 6.942) 8.356 4.271 ( -6.243 0.000 2.497) 6.723 4.271 ( 6.243 0.000 2.497) 6.723 4.279 ( -2.334 0.000 -9.100) 9.394 4.279 ( 2.334 0.000 -9.100) 9.394 4.628 ( -6.255 0.000 -2.093) 6.596 4.628 ( 6.255 0.000 -2.093) 6.596 4.760 ( -7.340 0.000 -4.305) 8.509 4.760 ( 7.340 0.000 -4.305) 8.509 5.189 ( -6.054 0.000 -7.549) 9.677 5.189 ( 6.054 0.000 -7.549) 9.677 5.494 ( -3.361 0.000 -2.412) 4.137 5.494 ( 3.361 0.000 -2.412) 4.137 12.225 ( -5.021 0.000 -0.431) 5.040 12.225 ( 5.021 0.000 -0.431) 5.040 13.414 ( -6.649 0.000 -0.291) 6.656 13.414 ( 6.649 0.000 -0.291) 6.656 14.055 ( -2.932 0.000 2.177) 3.652 14.055 ( 2.932 0.000 2.177) 3.652 14.385 ( -5.093 0.000 -0.651) 5.134 14.385 ( 5.093 0.000 -0.651) 5.134 15.453 ( -6.048 0.000 0.717) 6.090 15.453 ( 6.048 0.000 0.717) 6.090 15.842 ( -2.591 0.000 -0.715) 2.688 15.842 ( 2.591 0.000 -0.715) 2.688 26.493 ( -0.952 0.000 -0.968) 1.358 26.493 ( 0.952 0.000 -0.968) 1.358 27.037 ( -1.224 0.000 7.722) 7.818 27.037 ( 1.224 0.000 7.722) 7.818 28.008 ( -0.464 0.000 0.549) 0.719 28.008 ( 0.464 0.000 0.549) 0.719 28.441 ( -2.292 0.000 -2.993) 3.770 28.441 ( 2.292 0.000 -2.993) 3.770 28.528 ( -0.330 0.000 -0.001) 0.330 28.528 ( 0.330 0.000 -0.001) 0.330 29.003 ( -0.766 0.000 0.586) 0.964 29.003 ( 0.766 0.000 0.586) 0.964 54.027 ( -0.794 0.000 7.504) 7.546 54.027 ( 0.794 0.000 7.504) 7.546 54.759 ( -0.217 0.000 -3.929) 3.935 54.759 ( 0.217 0.000 -3.929) 3.935 54.993 ( -6.288 0.000 9.231) 11.169 54.993 ( 6.288 0.000 9.231) 11.169 55.500 ( -3.432 0.000 -1.178) 3.629 55.500 ( 3.432 0.000 -1.178) 3.629 56.676 ( -13.275 0.000 1.105) 13.321 56.676 ( 13.275 0.000 1.105) 13.321 57.174 ( -11.759 0.000 -7.151) 13.762 57.174 ( 11.759 0.000 -7.151) 13.762 ======================= Grid point 161 (53/96) ======================= q-point: ( 0.00 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 0.000 7.436 21.951) 23.176 1.245 ( 0.000 16.165 20.162) 25.842 1.990 ( 0.000 12.595 25.258) 28.224 2.115 ( 0.000 8.469 -10.506) 13.494 2.480 ( 0.000 7.993 6.622) 10.380 2.826 ( 0.000 -3.308 -1.534) 3.646 2.846 ( 0.000 -2.618 5.252) 5.869 3.049 ( 0.000 -7.164 3.673) 8.051 3.185 ( 0.000 -1.909 2.414) 3.078 3.265 ( 0.000 1.293 6.327) 6.458 3.337 ( 0.000 -11.637 0.103) 11.637 3.686 ( 0.000 -10.285 0.503) 10.297 4.005 ( 0.000 4.632 -0.173) 4.635 4.113 ( 0.000 -0.485 -4.704) 4.729 4.158 ( 0.000 6.279 -7.598) 9.857 4.220 ( 0.000 7.254 -3.723) 8.154 4.559 ( 0.000 4.602 2.653) 5.312 4.587 ( 0.000 1.520 2.010) 2.520 4.805 ( 0.000 -1.949 3.091) 3.654 4.821 ( 0.000 -2.813 -2.073) 3.494 5.244 ( 0.000 -3.952 -8.966) 9.798 5.249 ( 0.000 -3.044 -7.333) 7.939 5.371 ( 0.000 -0.513 -4.261) 4.292 5.525 ( 0.000 -3.943 -6.277) 7.412 11.938 ( 0.000 0.557 4.648) 4.682 12.322 ( 0.000 0.510 -6.857) 6.876 13.223 ( 0.000 -3.973 7.886) 8.831 13.644 ( 0.000 -6.225 -4.700) 7.800 13.922 ( 0.000 2.688 1.635) 3.146 14.067 ( 0.000 2.300 -2.157) 3.154 14.282 ( 0.000 1.595 5.066) 5.311 14.567 ( 0.000 1.037 -3.006) 3.180 15.253 ( 0.000 0.540 4.407) 4.440 15.576 ( 0.000 -1.537 -4.800) 5.040 15.856 ( 0.000 -2.244 1.801) 2.877 15.949 ( 0.000 -2.850 -0.892) 2.987 26.496 ( 0.000 -2.523 -0.332) 2.545 26.516 ( 0.000 -1.028 -2.289) 2.509 27.035 ( 0.000 -4.144 5.549) 6.926 27.068 ( 0.000 -15.576 6.325) 16.811 28.058 ( 0.000 3.574 -0.298) 3.587 28.130 ( 0.000 8.873 -4.242) 9.835 28.283 ( 0.000 0.917 2.369) 2.540 28.520 ( 0.000 0.726 -4.737) 4.792 28.540 ( 0.000 2.101 0.916) 2.292 28.597 ( 0.000 4.433 -1.146) 4.578 28.953 ( 0.000 -2.722 1.633) 3.174 28.981 ( 0.000 -1.709 -0.233) 1.725 54.076 ( 0.000 6.016 1.930) 6.318 54.098 ( 0.000 3.906 5.471) 6.723 54.571 ( 0.000 -9.762 -1.419) 9.865 54.611 ( 0.000 -9.625 -4.840) 10.773 54.963 ( 0.000 6.160 4.239) 7.478 55.296 ( 0.000 -2.056 -1.657) 2.641 55.613 ( 0.000 -1.175 2.311) 2.593 55.850 ( 0.000 10.866 -3.941) 11.558 56.132 ( 0.000 0.024 0.952) 0.953 56.196 ( 0.000 -0.162 -0.787) 0.804 57.346 ( 0.000 -0.225 2.638) 2.648 57.581 ( 0.000 -1.397 -3.498) 3.767 ======================= Grid point 162 (54/96) ======================= q-point: ( 0.17 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 10.481 0.988 20.552) 23.091 1.466 ( 17.313 13.172 17.604) 27.985 2.079 ( 7.965 10.351 11.389) 17.329 2.177 ( 7.368 8.431 0.322) 11.201 2.530 ( 2.550 7.694 12.349) 14.771 2.656 ( -11.315 -4.534 -1.824) 12.325 2.851 ( -5.226 -4.554 2.329) 7.312 2.977 ( -5.739 -2.069 2.245) 6.501 3.073 ( -7.545 -4.664 0.681) 8.897 3.213 ( -0.726 -0.668 6.015) 6.095 3.398 ( 0.923 -2.013 2.025) 3.001 3.801 ( 4.953 -5.562 1.303) 7.561 3.906 ( -5.129 4.041 2.863) 7.129 4.114 ( 1.453 -1.761 -8.803) 9.095 4.216 ( 4.540 3.151 -6.170) 8.283 4.271 ( 3.988 4.350 -3.784) 7.010 4.569 ( 0.348 2.040 0.864) 2.243 4.595 ( 1.355 3.876 2.373) 4.742 4.781 ( -2.978 -3.952 -1.415) 5.147 4.870 ( 4.757 -1.266 0.474) 4.945 5.131 ( -8.366 -1.583 -6.710) 10.841 5.254 ( -0.110 -3.107 -8.308) 8.871 5.397 ( 1.268 -2.092 -4.372) 5.010 5.533 ( 0.189 -3.983 -5.337) 6.662 11.990 ( 4.952 0.307 3.632) 6.149 12.322 ( -0.183 0.741 -5.855) 5.904 13.227 ( 0.576 -4.340 6.800) 8.087 13.602 ( -4.203 -6.173 -4.295) 8.615 13.949 ( 2.597 2.671 1.772) 4.126 14.090 ( 2.025 2.524 -1.735) 3.672 14.281 ( 0.162 1.330 4.539) 4.733 14.547 ( -2.026 1.029 -2.762) 3.576 15.275 ( 2.304 0.419 4.006) 4.640 15.576 ( -0.275 -1.349 -4.483) 4.689 15.828 ( -2.539 -2.435 1.831) 3.965 15.927 ( -2.170 -2.918 -1.010) 3.774 26.483 ( -0.906 -1.910 -0.355) 2.143 26.515 ( -0.356 -1.368 -2.110) 2.539 27.011 ( -2.063 -6.820 6.949) 9.952 27.050 ( -1.525 -9.362 6.027) 11.238 28.058 ( 0.001 3.704 -0.245) 3.712 28.103 ( -1.922 8.105 -1.916) 8.547 28.319 ( 2.884 0.198 0.383) 2.916 28.499 ( -1.636 0.182 -2.916) 3.349 28.551 ( 0.700 2.585 -0.488) 2.723 28.593 ( -0.336 4.233 -1.114) 4.390 28.954 ( 0.215 -2.521 1.434) 2.908 28.988 ( 0.410 -2.066 -0.265) 2.123 54.073 ( -0.209 5.651 2.768) 6.296 54.095 ( -0.328 3.935 5.500) 6.771 54.572 ( 0.129 -9.845 -1.542) 9.966 54.607 ( -0.392 -9.691 -4.471) 10.680 54.989 ( 2.582 6.814 4.501) 8.565 55.322 ( 2.468 -1.798 -1.671) 3.481 55.578 ( -5.332 2.714 2.447) 6.464 55.639 ( -11.800 7.111 3.315) 14.170 56.205 ( 7.457 0.056 1.434) 7.594 56.434 ( 16.529 -1.433 -7.782) 18.325 57.267 ( -7.759 -0.297 2.863) 8.276 57.528 ( -5.541 -1.747 -4.133) 7.130 ======================= Grid point 163 (55/96) ======================= q-point: ( 0.33 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 21.354 -7.107 14.202) 26.612 1.810 ( 17.345 7.369 17.189) 25.507 2.207 ( -1.393 -1.957 0.187) 2.410 2.356 ( -8.452 -5.888 -1.295) 10.382 2.395 ( 8.095 9.507 8.279) 14.981 2.480 ( -9.676 0.280 15.142) 17.972 2.823 ( 3.835 10.533 -2.501) 11.485 2.859 ( -6.697 -1.525 0.709) 6.905 2.995 ( 2.748 0.422 0.741) 2.877 3.231 ( 1.434 0.873 7.673) 7.855 3.344 ( -5.541 3.821 3.117) 7.418 3.582 ( -17.035 7.462 7.876) 20.197 4.062 ( 10.518 -5.203 -1.649) 11.850 4.171 ( 3.387 -3.626 -8.805) 10.107 4.290 ( 2.610 1.237 -4.653) 5.476 4.348 ( 3.004 1.161 -4.312) 5.382 4.553 ( -0.874 1.148 0.321) 1.478 4.655 ( 3.933 2.166 0.867) 4.573 4.699 ( -4.785 -4.093 -2.317) 6.709 4.904 ( -5.625 0.078 -4.733) 7.352 5.043 ( 3.787 -2.547 -3.193) 5.570 5.236 ( -2.311 -3.511 -9.044) 9.973 5.421 ( 1.791 -1.940 -2.939) 3.951 5.517 ( -1.800 -3.453 -3.832) 5.463 12.109 ( 6.741 0.273 1.831) 6.991 12.303 ( -2.133 0.989 -3.252) 4.013 13.260 ( 3.224 -5.136 3.663) 7.084 13.491 ( -6.877 -6.024 -2.893) 9.589 14.014 ( 3.823 2.695 2.054) 5.109 14.117 ( -0.025 2.928 0.396) 2.954 14.308 ( 3.111 0.855 1.916) 3.753 14.487 ( -4.116 1.004 -2.015) 4.691 15.344 ( 4.722 0.100 2.772) 5.476 15.546 ( -3.342 -0.734 -2.467) 4.219 15.788 ( -0.694 -2.977 0.797) 3.159 15.871 ( -3.338 -3.063 -1.167) 4.678 26.471 ( -0.133 -1.320 -0.486) 1.413 26.500 ( -1.062 -1.329 -1.757) 2.445 26.980 ( -0.739 -5.948 7.729) 9.781 27.016 ( -1.825 -5.393 6.137) 8.371 28.059 ( 0.069 4.150 -0.122) 4.152 28.074 ( -1.008 6.476 -0.385) 6.566 28.375 ( 2.690 -0.654 -0.867) 2.901 28.464 ( -1.965 -0.481 -2.053) 2.882 28.564 ( 0.587 3.172 -0.704) 3.301 28.585 ( -0.489 3.889 -1.029) 4.052 28.963 ( 0.700 -2.454 0.995) 2.739 28.989 ( -0.287 -2.351 -0.036) 2.369 54.071 ( 0.081 4.915 4.219) 6.478 54.086 ( -0.515 4.046 5.480) 6.831 54.577 ( 0.360 -9.980 -2.018) 10.188 54.597 ( -0.562 -9.851 -3.682) 10.531 55.062 ( 4.981 8.525 5.379) 11.243 55.357 ( -8.369 14.874 5.069) 17.804 55.391 ( 1.097 -5.187 0.710) 5.349 55.538 ( -3.762 -2.261 0.574) 4.427 56.409 ( 13.011 0.193 2.003) 13.166 56.728 ( 11.389 -2.135 -8.778) 14.537 57.081 ( -8.815 -1.126 2.250) 9.167 57.370 ( -10.515 -2.572 -5.559) 12.168 ======================= Grid point 164 (56/96) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -22.605 -10.163 8.124) 26.082 1.866 ( 22.605 -10.163 8.124) 26.082 2.142 ( -16.454 3.508 18.243) 24.816 2.142 ( 16.454 3.508 18.243) 24.816 2.466 ( -7.533 -3.681 -6.588) 10.663 2.466 ( 7.533 -3.681 -6.588) 10.663 2.831 ( -4.703 11.834 0.105) 12.735 2.831 ( 4.703 11.834 0.105) 12.735 3.187 ( -13.081 6.006 7.601) 16.277 3.187 ( 13.081 6.006 7.601) 16.277 3.293 ( -7.493 3.595 6.823) 10.752 3.293 ( 7.493 3.595 6.823) 10.752 4.198 ( -2.156 -4.527 -6.117) 7.909 4.198 ( 2.156 -4.527 -6.117) 7.909 4.339 ( -3.120 2.373 -2.820) 4.829 4.339 ( 3.120 2.373 -2.820) 4.829 4.590 ( -4.753 -3.289 -1.035) 5.872 4.590 ( 4.753 -3.289 -1.035) 5.872 4.767 ( -6.709 0.694 -3.009) 7.386 4.767 ( 6.709 0.694 -3.009) 7.386 5.156 ( -5.722 -3.293 -6.616) 9.346 5.156 ( 5.722 -3.293 -6.616) 9.346 5.469 ( -2.840 -2.385 -2.981) 4.758 5.469 ( 2.840 -2.385 -2.981) 4.758 12.231 ( -5.302 0.723 -0.319) 5.360 12.231 ( 5.302 0.723 -0.319) 5.360 13.356 ( -6.427 -5.740 -0.162) 8.619 13.356 ( 6.427 -5.740 -0.162) 8.619 14.084 ( -3.031 2.820 2.016) 4.605 14.084 ( 3.031 2.820 2.016) 4.605 14.394 ( -5.163 0.916 -0.703) 5.290 14.394 ( 5.163 0.916 -0.703) 5.290 15.450 ( -5.853 -0.272 0.664) 5.897 15.450 ( 5.853 -0.272 0.664) 5.897 15.810 ( -2.604 -3.165 -0.815) 4.179 15.810 ( 2.604 -3.165 -0.815) 4.179 26.480 ( -0.894 -1.154 -1.092) 1.823 26.480 ( 0.894 -1.154 -1.092) 1.823 26.985 ( -1.150 -4.840 6.959) 8.555 26.985 ( 1.150 -4.840 6.959) 8.555 28.062 ( -0.337 5.042 -0.060) 5.053 28.062 ( 0.337 5.042 -0.060) 5.053 28.423 ( -2.280 -0.802 -1.444) 2.815 28.423 ( 2.280 -0.802 -1.444) 2.815 28.575 ( -0.554 3.565 -0.869) 3.711 28.575 ( 0.554 3.565 -0.869) 3.711 28.978 ( -0.774 -2.445 0.457) 2.605 28.978 ( 0.774 -2.445 0.457) 2.605 54.076 ( -0.431 4.337 5.147) 6.744 54.076 ( 0.431 4.337 5.147) 6.744 54.586 ( -0.541 -9.987 -2.805) 10.388 54.586 ( 0.541 -9.987 -2.805) 10.388 55.183 ( -7.583 10.872 6.625) 14.819 55.183 ( 7.583 10.872 6.625) 14.819 55.462 ( -4.018 -2.828 -0.610) 4.951 55.462 ( 4.018 -2.828 -0.610) 4.951 56.678 ( -13.142 0.233 0.976) 13.180 56.678 ( 13.142 0.233 0.976) 13.180 57.140 ( -11.940 -3.365 -6.109) 13.828 57.140 ( 11.940 -3.365 -6.109) 13.828 ======================= Grid point 168 (57/96) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 0.000 15.173 20.104) 25.187 1.637 ( 0.000 22.539 13.832) 26.445 2.301 ( 0.000 18.208 13.042) 22.397 2.329 ( 0.000 12.503 -8.991) 15.400 2.674 ( 0.000 8.984 11.280) 14.421 2.765 ( 0.000 -5.955 5.817) 8.325 2.785 ( 0.000 0.928 -2.125) 2.318 2.888 ( 0.000 -8.173 1.876) 8.385 3.069 ( 0.000 -14.062 2.560) 14.293 3.125 ( 0.000 -3.855 0.736) 3.925 3.268 ( 0.000 -3.085 3.396) 4.589 3.501 ( 0.000 -5.741 5.757) 8.130 4.096 ( 0.000 -1.287 -5.629) 5.774 4.106 ( 0.000 4.704 -3.667) 5.964 4.264 ( 0.000 4.232 -5.727) 7.121 4.366 ( 0.000 7.009 -2.731) 7.522 4.624 ( 0.000 1.710 -0.710) 1.852 4.673 ( 0.000 6.568 2.726) 7.111 4.732 ( 0.000 -6.500 0.137) 6.501 4.740 ( 0.000 -4.453 3.538) 5.688 5.142 ( 0.000 -6.051 -5.691) 8.306 5.168 ( 0.000 -5.173 -8.340) 9.814 5.358 ( 0.000 -0.748 -4.373) 4.437 5.424 ( 0.000 -6.090 -4.941) 7.842 11.959 ( 0.000 1.608 3.922) 4.239 12.333 ( 0.000 0.373 -7.225) 7.235 13.122 ( 0.000 -6.008 7.752) 9.808 13.484 ( 0.000 -9.732 -3.566) 10.365 13.990 ( 0.000 3.977 1.193) 4.152 14.112 ( 0.000 2.059 -1.950) 2.836 14.329 ( 0.000 3.274 4.239) 5.356 14.592 ( 0.000 1.407 -2.970) 3.286 15.263 ( 0.000 0.380 3.208) 3.230 15.531 ( 0.000 -3.141 -4.314) 5.337 15.799 ( 0.000 -3.383 1.470) 3.689 15.874 ( 0.000 -4.608 -0.795) 4.677 26.447 ( 0.000 -1.891 -0.045) 1.891 26.492 ( 0.000 -1.365 -2.224) 2.610 26.823 ( 0.000 -9.497 6.964) 11.777 26.930 ( 0.000 -6.274 3.584) 7.226 28.152 ( 0.000 5.860 -0.221) 5.864 28.265 ( 0.000 5.385 -4.653) 7.117 28.314 ( 0.000 2.371 2.524) 3.463 28.544 ( 0.000 1.592 -4.142) 4.438 28.584 ( 0.000 2.106 0.857) 2.274 28.670 ( 0.000 2.457 -1.064) 2.677 28.887 ( 0.000 -3.824 1.461) 4.093 28.935 ( 0.000 -2.946 -0.473) 2.984 54.147 ( 0.000 0.647 -3.380) 3.441 54.172 ( 0.000 2.331 1.664) 2.864 54.438 ( 0.000 -2.828 -4.307) 5.152 54.518 ( 0.000 -0.065 -8.949) 8.950 55.016 ( 0.000 -0.394 2.145) 2.181 55.199 ( 0.000 -6.594 0.069) 6.594 55.594 ( 0.000 -0.702 6.261) 6.300 55.984 ( 0.000 1.720 -2.386) 2.941 56.136 ( 0.000 0.357 0.971) 1.034 56.192 ( 0.000 -0.260 -0.513) 0.575 57.341 ( 0.000 -0.142 2.176) 2.181 57.543 ( 0.000 -2.426 -3.075) 3.917 ======================= Grid point 169 (58/96) ======================= q-point: ( 0.17 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 2.265 13.919 19.516) 24.078 1.752 ( 9.606 15.889 15.179) 23.982 2.284 ( -1.739 10.591 -8.036) 13.408 2.430 ( 8.926 14.241 7.831) 18.542 2.515 ( -15.303 -6.096 3.333) 16.807 2.695 ( -8.104 1.040 11.610) 14.196 2.818 ( 6.662 5.857 5.608) 10.494 2.888 ( 1.542 -5.218 2.154) 5.852 3.031 ( -5.895 -0.006 -2.000) 6.225 3.161 ( 5.886 -4.441 5.081) 8.955 3.336 ( 4.666 -3.667 4.264) 7.307 3.641 ( 11.561 -8.717 0.887) 14.506 4.034 ( -7.177 5.720 -0.188) 9.180 4.092 ( -0.603 0.369 -7.047) 7.082 4.270 ( 1.034 2.017 -5.730) 6.162 4.368 ( 0.170 5.513 -2.697) 6.140 4.604 ( -1.409 1.109 -1.867) 2.589 4.667 ( -2.825 -4.819 -0.171) 5.589 4.696 ( 0.318 3.385 3.370) 4.787 4.817 ( 5.224 -4.309 1.300) 6.896 5.075 ( -6.155 -3.941 -4.736) 8.709 5.167 ( -0.401 -5.599 -8.460) 10.153 5.360 ( 0.467 -1.473 -4.061) 4.345 5.433 ( 0.424 -5.946 -4.595) 7.526 12.007 ( 4.769 1.567 3.394) 6.059 12.341 ( 0.532 1.013 -6.320) 6.423 13.114 ( -0.490 -6.792 6.794) 9.619 13.442 ( -4.157 -9.759 -3.312) 11.112 14.017 ( 2.650 4.043 1.315) 5.010 14.142 ( 2.840 2.529 -1.916) 4.259 14.322 ( -0.562 2.932 4.076) 5.052 14.572 ( -2.051 1.390 -2.741) 3.695 15.282 ( 2.030 0.242 2.957) 3.595 15.535 ( 0.301 -2.857 -4.118) 5.021 15.766 ( -3.083 -3.647 1.547) 5.019 15.850 ( -2.362 -4.749 -0.951) 5.388 26.445 ( -0.127 -1.491 -0.194) 1.508 26.488 ( -0.432 -1.329 -2.143) 2.558 26.826 ( 0.398 -8.653 6.759) 10.987 26.923 ( -0.720 -6.363 3.739) 7.415 28.155 ( 0.289 5.995 -0.281) 6.008 28.243 ( -1.717 6.138 -2.973) 7.033 28.338 ( 1.909 1.803 1.185) 2.881 28.516 ( -2.148 1.508 -2.188) 3.417 28.600 ( 1.115 2.181 -0.570) 2.514 28.664 ( -0.542 2.487 -1.060) 2.757 28.889 ( 0.281 -3.856 1.231) 4.058 28.935 ( -0.082 -3.262 -0.465) 3.296 54.143 ( -0.301 0.790 -2.663) 2.794 54.168 ( -0.448 2.194 1.604) 2.755 54.442 ( 0.389 -2.562 -4.386) 5.094 54.510 ( -0.720 -0.200 -8.177) 8.211 55.047 ( 3.189 -0.497 2.239) 3.928 55.220 ( 2.017 -6.774 0.154) 7.070 55.572 ( -2.180 -0.506 5.705) 6.128 55.807 ( -12.006 5.546 2.083) 13.388 56.209 ( 7.583 0.357 1.477) 7.734 56.388 ( 13.960 -3.220 -4.642) 15.060 57.261 ( -7.975 -0.212 2.426) 8.339 57.481 ( -6.372 -2.919 -3.465) 7.819 ======================= Grid point 170 (59/96) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 13.132 5.522 16.162) 21.544 1.954 ( 9.213 6.793 12.501) 16.950 2.123 ( -15.678 -3.940 8.106) 18.084 2.341 ( 1.033 4.750 -3.274) 5.861 2.469 ( -10.999 -1.382 3.117) 11.515 2.544 ( -2.768 4.571 5.479) 7.654 2.929 ( 3.810 2.223 4.808) 6.525 2.943 ( 1.978 2.840 0.177) 3.465 3.081 ( 13.758 12.637 6.623) 19.820 3.257 ( 4.611 2.206 5.393) 7.431 3.388 ( -0.079 -0.346 3.707) 3.724 3.756 ( -10.693 7.082 3.904) 13.407 3.935 ( 7.391 -5.565 -2.283) 9.529 4.095 ( 0.720 -3.843 -8.819) 9.647 4.309 ( 2.547 0.146 -4.786) 5.424 4.368 ( -0.126 1.613 -4.081) 4.390 4.557 ( -3.243 -1.446 -1.384) 3.811 4.593 ( -4.463 -5.565 -0.004) 7.134 4.721 ( 2.219 4.001 1.783) 4.910 4.900 ( -2.550 -0.755 -2.742) 3.820 4.967 ( 1.516 -4.792 -1.896) 5.372 5.144 ( -2.309 -5.559 -7.746) 9.810 5.379 ( 1.383 -2.323 -3.638) 4.533 5.431 ( -0.659 -5.247 -4.036) 6.652 12.128 ( 7.119 1.797 2.069) 7.628 12.334 ( -1.786 2.188 -3.554) 4.540 13.123 ( 2.030 -8.526 3.785) 9.547 13.332 ( -6.736 -9.789 -2.307) 12.105 14.084 ( 3.984 4.249 1.562) 6.030 14.190 ( 0.679 4.187 -0.430) 4.263 14.330 ( 2.471 1.490 2.092) 3.564 14.512 ( -4.185 1.338 -2.044) 4.846 15.344 ( 4.277 -0.143 2.129) 4.779 15.524 ( -2.281 -1.592 -2.507) 3.745 15.709 ( -1.544 -4.772 0.725) 5.068 15.790 ( -3.569 -5.061 -1.236) 6.315 26.446 ( 0.339 -0.904 -0.663) 1.171 26.475 ( -0.825 -1.086 -1.848) 2.297 26.841 ( 1.167 -7.303 6.104) 9.589 26.901 ( -1.472 -6.413 4.280) 7.849 28.164 ( 0.663 6.354 -0.498) 6.408 28.209 ( -1.636 6.850 -1.768) 7.261 28.380 ( 2.294 1.225 0.602) 2.669 28.472 ( -2.371 1.268 -0.809) 2.808 28.620 ( 0.925 2.343 -1.004) 2.712 28.652 ( -0.726 2.498 -1.091) 2.821 28.899 ( 0.669 -3.964 0.709) 4.083 28.929 ( -0.574 -3.735 -0.281) 3.789 54.140 ( -0.010 1.091 -1.075) 1.532 54.156 ( -0.679 1.844 1.267) 2.338 54.453 ( 0.791 -1.919 -4.739) 5.173 54.493 ( -1.049 -0.592 -6.718) 6.825 55.133 ( 5.425 -1.248 2.584) 6.137 55.261 ( 1.487 -7.249 0.710) 7.434 55.519 ( -2.895 0.653 4.748) 5.599 55.594 ( -9.066 8.311 4.258) 13.016 56.416 ( 13.186 0.532 1.847) 13.326 56.667 ( 13.500 -3.925 -6.270) 15.394 57.058 ( -11.441 -1.045 2.737) 11.810 57.302 ( -11.715 -4.110 -4.258) 13.125 ======================= Grid point 171 (60/96) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -18.904 -3.026 10.375) 21.775 1.724 ( 18.904 -3.026 10.375) 21.775 2.217 ( -12.431 4.470 13.524) 18.905 2.217 ( 12.431 4.470 13.524) 18.905 2.438 ( -6.156 1.068 -2.883) 6.881 2.438 ( 6.156 1.068 -2.883) 6.881 2.970 ( -0.579 2.019 -0.270) 2.118 2.970 ( 0.579 2.019 -0.270) 2.118 3.326 ( -5.664 5.782 4.628) 9.324 3.326 ( 5.664 5.782 4.628) 9.324 3.444 ( -17.081 12.589 8.539) 22.872 3.444 ( 17.081 12.589 8.539) 22.872 4.081 ( -3.842 -7.955 -7.435) 11.547 4.081 ( 3.842 -7.955 -7.435) 11.547 4.354 ( -1.843 -0.425 -4.812) 5.170 4.354 ( 1.843 -0.425 -4.812) 5.170 4.523 ( -1.214 -3.272 0.427) 3.516 4.523 ( 1.214 -3.272 0.427) 3.516 4.790 ( -5.095 1.802 -0.658) 5.444 4.790 ( 5.095 1.802 -0.658) 5.444 5.069 ( -5.251 -5.224 -5.136) 9.013 5.069 ( 5.251 -5.224 -5.136) 9.013 5.409 ( -1.514 -3.768 -3.723) 5.509 5.409 ( 1.514 -3.768 -3.723) 5.509 12.259 ( -5.798 2.358 -0.172) 6.261 12.259 ( 5.798 2.358 -0.172) 6.261 13.203 ( -5.936 -9.600 0.045) 11.287 13.203 ( 5.936 -9.600 0.045) 11.287 14.158 ( -3.245 4.541 1.495) 5.778 14.158 ( 3.245 4.541 1.495) 5.778 14.416 ( -5.338 1.190 -0.789) 5.526 14.416 ( 5.338 1.190 -0.789) 5.526 15.441 ( -5.385 -0.632 0.498) 5.445 15.441 ( 5.385 -0.632 0.498) 5.445 15.725 ( -2.651 -5.302 -1.038) 6.019 15.725 ( 2.651 -5.302 -1.038) 6.019 26.458 ( -0.819 -0.798 -1.307) 1.736 26.458 ( 0.819 -0.798 -1.307) 1.736 26.870 ( -1.681 -6.578 5.161) 8.528 26.870 ( 1.681 -6.578 5.161) 8.528 28.182 ( -1.156 6.771 -0.965) 6.937 28.182 ( 1.156 6.771 -0.965) 6.937 28.425 ( -2.392 1.108 0.047) 2.637 28.425 ( 2.392 1.108 0.047) 2.637 28.637 ( -0.805 2.453 -1.093) 2.804 28.637 ( 0.805 2.453 -1.093) 2.804 28.914 ( -0.852 -3.975 0.145) 4.068 28.914 ( 0.852 -3.975 0.145) 4.068 54.144 ( -0.491 1.443 0.392) 1.574 54.144 ( 0.491 1.443 0.392) 1.574 54.472 ( -1.050 -1.195 -5.506) 5.731 54.472 ( 1.050 -1.195 -5.506) 5.731 55.238 ( -4.294 -4.660 2.308) 6.744 55.238 ( 4.294 -4.660 2.308) 6.744 55.491 ( -1.268 5.249 4.063) 6.758 55.491 ( 1.268 5.249 4.063) 6.758 56.686 ( -12.774 0.673 0.700) 12.811 56.686 ( 12.774 0.673 0.700) 12.811 57.052 ( -12.347 -5.320 -3.854) 13.985 57.052 ( 12.347 -5.320 -3.854) 13.985 ======================= Grid point 175 (61/96) ======================= q-point: ( 0.00 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.000 17.543 16.239) 23.905 2.058 ( 0.000 18.129 7.132) 19.481 2.548 ( 0.000 7.684 -4.086) 8.703 2.612 ( 0.000 6.831 -2.253) 7.193 2.628 ( 0.000 -5.178 5.816) 7.787 2.696 ( 0.000 -2.863 3.761) 4.727 2.787 ( 0.000 -1.273 5.537) 5.681 2.825 ( 0.000 0.000 2.757) 2.757 2.952 ( 0.000 4.667 19.097) 19.659 3.092 ( 0.000 -12.512 -3.362) 12.955 3.116 ( 0.000 6.163 -3.017) 6.862 3.545 ( 0.000 8.372 11.359) 14.111 4.060 ( 0.000 -2.624 -5.928) 6.483 4.158 ( 0.000 0.199 -6.015) 6.019 4.319 ( 0.000 1.392 -5.893) 6.055 4.474 ( 0.000 3.451 -2.250) 4.120 4.569 ( 0.000 -9.791 1.693) 9.936 4.599 ( 0.000 -5.117 2.065) 5.518 4.676 ( 0.000 -1.407 -2.200) 2.611 4.795 ( 0.000 5.666 2.913) 6.371 5.039 ( 0.000 -3.588 -3.110) 4.748 5.055 ( 0.000 -6.313 -8.668) 10.723 5.306 ( 0.000 -5.393 -2.327) 5.874 5.342 ( 0.000 -1.033 -4.049) 4.178 12.004 ( 0.000 3.147 2.661) 4.121 12.327 ( 0.000 -1.290 -7.059) 7.176 13.011 ( 0.000 -4.790 7.124) 8.585 13.286 ( 0.000 -10.038 -2.029) 10.241 14.067 ( 0.000 3.737 0.433) 3.762 14.144 ( 0.000 1.238 -1.405) 1.873 14.406 ( 0.000 4.449 2.593) 5.150 14.615 ( 0.000 0.730 -2.746) 2.842 15.267 ( 0.000 0.103 1.569) 1.572 15.457 ( 0.000 -4.277 -3.642) 5.618 15.734 ( 0.000 -3.046 1.105) 3.240 15.781 ( 0.000 -4.573 -0.445) 4.594 26.433 ( 0.000 0.372 -0.336) 0.501 26.469 ( 0.000 -0.886 -1.759) 1.970 26.680 ( 0.000 -5.579 4.538) 7.192 26.804 ( 0.000 -6.415 1.888) 6.687 28.275 ( 0.000 6.504 -0.137) 6.505 28.355 ( 0.000 4.073 -3.041) 5.083 28.373 ( 0.000 3.504 2.369) 4.230 28.579 ( 0.000 1.933 -3.307) 3.831 28.614 ( 0.000 0.953 0.193) 0.972 28.684 ( 0.000 -1.052 -0.640) 1.232 28.813 ( 0.000 -3.597 0.932) 3.716 28.871 ( 0.000 -3.479 -0.670) 3.543 54.145 ( 0.000 0.369 -4.801) 4.816 54.177 ( 0.000 -0.465 -2.438) 2.482 54.441 ( 0.000 0.528 -7.954) 7.971 54.523 ( 0.000 -1.573 -11.913) 12.017 54.999 ( 0.000 0.422 2.592) 2.627 55.093 ( 0.000 -2.946 1.054) 3.129 55.576 ( 0.000 -1.438 6.893) 7.042 55.928 ( 0.000 -6.742 -0.305) 6.749 56.144 ( 0.000 0.491 1.048) 1.157 56.186 ( 0.000 -0.352 -0.109) 0.369 57.343 ( 0.000 0.372 1.409) 1.457 57.491 ( 0.000 -2.854 -2.431) 3.749 ======================= Grid point 176 (62/96) ======================= q-point: ( 0.17 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 0.483 18.828 15.734) 24.541 2.053 ( 0.319 12.887 7.852) 15.095 2.385 ( -14.427 0.559 6.261) 15.737 2.517 ( -3.781 5.976 0.289) 7.078 2.576 ( -4.859 1.048 -7.459) 8.964 2.687 ( -1.503 -2.408 8.291) 8.763 2.855 ( 1.951 3.605 6.321) 7.534 2.898 ( 6.923 -1.206 4.783) 8.501 3.081 ( 8.852 -2.353 7.744) 11.994 3.154 ( 7.350 13.903 3.899) 16.203 3.227 ( 10.286 -8.712 -4.022) 14.067 3.553 ( 1.486 1.449 9.420) 9.646 4.031 ( -2.642 -3.014 -6.638) 7.754 4.165 ( 0.008 3.038 -5.013) 5.862 4.300 ( -2.246 1.590 -4.198) 5.020 4.459 ( -1.978 1.644 -1.676) 3.070 4.542 ( -2.022 -4.333 0.520) 4.809 4.573 ( -2.404 -5.550 -1.289) 6.184 4.717 ( 4.367 -4.505 -0.394) 6.286 4.797 ( 0.060 4.997 2.611) 5.639 5.004 ( -3.596 -2.969 -4.100) 6.209 5.052 ( -0.166 -5.526 -6.938) 8.871 5.309 ( 0.334 -5.443 -2.700) 6.086 5.338 ( -0.416 -1.925 -3.772) 4.255 12.054 ( 4.966 3.314 2.478) 6.465 12.352 ( 2.282 -0.150 -6.447) 6.841 12.984 ( -2.440 -5.943 6.498) 9.138 13.243 ( -4.345 -10.214 -2.008) 11.280 14.096 ( 2.886 3.908 0.550) 4.889 14.182 ( 3.709 1.490 -1.522) 4.277 14.393 ( -1.217 4.281 2.581) 5.145 14.595 ( -2.066 0.739 -2.550) 3.364 15.284 ( 1.794 0.009 1.489) 2.332 15.466 ( 0.915 -4.087 -3.522) 5.472 15.697 ( -3.610 -3.175 1.154) 4.944 15.754 ( -2.693 -4.782 -0.650) 5.527 26.436 ( 0.339 0.571 -0.489) 0.825 26.467 ( -0.133 -0.653 -1.701) 1.827 26.688 ( 0.793 -5.729 4.394) 7.263 26.796 ( -0.774 -6.442 2.055) 6.806 28.280 ( 0.480 6.582 -0.256) 6.604 28.348 ( -0.636 4.738 -2.384) 5.342 28.387 ( 1.279 3.081 1.760) 3.771 28.553 ( -2.073 2.092 -1.626) 3.364 28.630 ( 1.084 0.878 -0.919) 1.670 28.681 ( -0.270 -0.795 -0.775) 1.143 28.813 ( 0.041 -3.820 0.768) 3.897 28.866 ( -0.562 -3.725 -0.651) 3.823 54.143 ( -0.151 0.413 -4.558) 4.579 54.173 ( -0.447 -0.327 -2.488) 2.548 54.446 ( 0.554 0.435 -8.030) 8.061 54.517 ( -0.580 -1.354 -11.321) 11.417 55.024 ( 2.515 0.045 2.773) 3.744 55.115 ( 1.969 -2.806 0.992) 3.569 55.558 ( -1.641 -1.304 6.539) 6.867 55.827 ( -7.943 -3.236 1.341) 8.681 56.219 ( 7.704 0.639 1.337) 7.845 56.321 ( 11.497 -3.145 -1.771) 12.051 57.262 ( -8.122 0.347 1.590) 8.284 57.419 ( -7.252 -3.263 -2.586) 8.363 ======================= Grid point 177 (63/96) ======================= q-point: ( 0.33 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 4.645 16.478 14.522) 22.450 2.001 ( -10.072 1.145 5.173) 11.381 2.213 ( 1.596 10.726 13.706) 17.477 2.449 ( -4.657 2.511 -0.605) 5.326 2.478 ( -2.657 5.598 -4.948) 7.929 2.607 ( -6.431 1.531 11.477) 13.245 2.896 ( 3.173 -1.242 3.710) 5.037 2.994 ( 1.541 0.084 0.495) 1.621 3.228 ( 7.504 -6.647 2.362) 10.300 3.363 ( 3.379 4.717 3.568) 6.812 3.417 ( 15.330 13.186 8.954) 22.115 3.650 ( 8.470 -12.309 -0.467) 14.948 3.965 ( -4.310 -2.236 -4.953) 6.936 4.074 ( -9.665 6.342 -0.270) 11.563 4.297 ( 2.623 -0.617 -6.808) 7.321 4.399 ( -3.446 -0.485 -2.115) 4.072 4.499 ( -2.397 -3.353 -0.697) 4.180 4.520 ( -2.875 -0.743 -1.576) 3.362 4.794 ( 0.926 1.331 0.629) 1.739 4.840 ( 6.317 -2.863 -1.049) 7.015 4.915 ( -4.630 -0.922 -2.600) 5.389 5.038 ( -1.735 -4.557 -5.798) 7.576 5.317 ( 0.314 -6.111 -3.113) 6.865 5.328 ( -0.451 -3.325 -3.574) 4.902 12.183 ( 7.751 3.897 1.812) 8.863 12.386 ( 0.085 2.957 -3.945) 4.931 12.946 ( -0.380 -9.188 3.960) 10.012 13.128 ( -7.002 -10.709 -1.633) 12.899 14.170 ( 4.408 4.383 0.776) 6.264 14.266 ( 3.485 3.169 -1.543) 4.957 14.369 ( -0.220 2.686 2.164) 3.457 14.534 ( -4.250 0.749 -1.961) 4.741 15.339 ( 3.859 -0.274 1.167) 4.041 15.483 ( -0.020 -2.675 -2.660) 3.772 15.616 ( -3.491 -4.346 0.813) 5.633 15.686 ( -4.008 -5.284 -1.117) 6.726 26.445 ( 0.539 0.802 -0.848) 1.286 26.463 ( -0.313 -0.053 -1.522) 1.555 26.710 ( 1.460 -6.051 3.945) 7.369 26.774 ( -1.467 -6.444 2.544) 7.082 28.293 ( 0.855 6.656 -0.631) 6.740 28.332 ( -0.954 5.714 -1.915) 6.102 28.419 ( 2.005 2.689 1.432) 3.647 28.509 ( -2.396 2.348 -0.183) 3.359 28.649 ( 0.850 0.648 -1.178) 1.590 28.674 ( -0.441 -0.226 -1.018) 1.132 28.817 ( 0.443 -4.271 0.333) 4.306 28.850 ( -0.984 -4.194 -0.519) 4.339 54.142 ( 0.113 0.436 -3.935) 3.961 54.161 ( -0.689 -0.015 -2.721) 2.807 54.461 ( 0.955 0.141 -8.356) 8.412 54.502 ( -0.960 -0.863 -10.123) 10.205 55.089 ( 3.790 -0.873 3.055) 4.946 55.154 ( 1.525 -2.449 1.361) 3.190 55.527 ( -0.888 -0.792 5.574) 5.699 55.668 ( -7.738 -0.491 2.852) 8.262 56.429 ( 13.457 0.868 1.519) 13.570 56.586 ( 14.924 -4.079 -3.179) 15.795 57.046 ( -13.253 -0.072 2.010) 13.405 57.219 ( -13.021 -4.254 -2.818) 13.985 ======================= Grid point 178 (64/96) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -10.462 8.427 11.243) 17.518 1.777 ( 10.462 8.427 11.243) 17.518 2.328 ( -7.202 7.134 4.797) 11.215 2.328 ( 7.202 7.134 4.797) 11.215 2.494 ( -3.797 3.621 4.814) 7.121 2.494 ( 3.797 3.621 4.814) 7.121 2.967 ( -3.377 -0.945 1.640) 3.871 2.967 ( 3.377 -0.945 1.640) 3.871 3.346 ( -3.962 -4.053 4.050) 6.966 3.346 ( 3.962 -4.053 4.050) 6.966 3.706 ( -10.230 9.627 4.162) 14.651 3.706 ( 10.230 9.627 4.162) 14.651 3.907 ( -4.301 -6.607 -3.849) 8.772 3.907 ( 4.301 -6.607 -3.849) 8.773 4.348 ( -2.048 -0.301 -5.280) 5.671 4.348 ( 2.048 -0.301 -5.280) 5.671 4.476 ( -0.928 -0.643 -0.525) 1.245 4.476 ( 0.928 -0.643 -0.525) 1.245 4.828 ( -2.981 1.227 -0.972) 3.367 4.828 ( 2.981 1.227 -0.972) 3.367 4.970 ( -5.262 -4.075 -3.522) 7.530 4.970 ( 5.262 -4.075 -3.522) 7.530 5.322 ( -0.271 -5.256 -3.467) 6.302 5.322 ( 0.271 -5.256 -3.467) 6.302 12.326 ( -6.064 4.562 -0.114) 7.589 12.326 ( 6.064 4.562 -0.114) 7.589 12.998 ( -5.543 -11.097 0.134) 12.405 12.998 ( 5.543 -11.097 0.134) 12.405 14.252 ( -3.569 4.961 0.673) 6.148 14.252 ( 3.569 4.961 0.673) 6.148 14.435 ( -5.464 0.687 -0.857) 5.573 14.435 ( 5.464 0.687 -0.857) 5.573 15.428 ( -4.833 -0.672 0.212) 4.884 15.428 ( 4.833 -0.672 0.212) 4.884 15.615 ( -2.788 -5.768 -1.188) 6.515 15.615 ( 2.788 -5.768 -1.188) 6.515 26.455 ( -0.497 0.574 -1.227) 1.442 26.455 ( 0.497 0.574 -1.227) 1.442 26.742 ( -1.750 -6.322 3.252) 7.322 26.742 ( 1.750 -6.322 3.252) 7.322 28.312 ( -1.053 6.422 -1.247) 6.626 28.312 ( 1.053 6.422 -1.247) 6.626 28.462 ( -2.357 2.489 0.827) 3.526 28.462 ( 2.357 2.489 0.827) 3.526 28.664 ( -0.628 0.301 -1.151) 1.345 28.664 ( 0.628 0.301 -1.151) 1.345 28.831 ( -0.937 -4.456 -0.175) 4.557 28.831 ( 0.937 -4.456 -0.175) 4.557 54.148 ( -0.534 0.289 -3.231) 3.288 54.148 ( 0.534 0.289 -3.231) 3.288 54.482 ( -1.095 -0.323 -9.055) 9.126 54.482 ( 1.095 -0.323 -9.055) 9.126 55.152 ( -2.032 -1.889 2.582) 3.790 55.152 ( 2.032 -1.889 2.582) 3.790 55.551 ( -3.789 0.029 4.041) 5.540 55.551 ( 3.789 0.029 4.041) 5.540 56.705 ( -12.311 1.276 0.439) 12.385 56.705 ( 12.311 1.276 0.439) 12.385 56.946 ( -12.617 -5.358 -1.831) 13.829 56.946 ( 12.617 -5.358 -1.831) 13.829 ======================= Grid point 182 (65/96) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 0.000 13.734 11.985) 18.228 2.200 ( 0.000 -2.833 2.273) 3.632 2.560 ( 0.000 -1.004 6.377) 6.455 2.565 ( 0.000 -4.232 -2.604) 4.969 2.594 ( 0.000 -3.008 3.583) 4.678 2.741 ( 0.000 8.677 3.152) 9.232 2.818 ( 0.000 -0.255 1.651) 1.671 2.880 ( 0.000 -2.104 4.212) 4.708 2.963 ( 0.000 -0.596 11.251) 11.267 3.032 ( 0.000 8.164 0.032) 8.164 3.356 ( 0.000 15.786 6.637) 17.124 3.757 ( 0.000 10.607 6.487) 12.433 3.983 ( 0.000 -4.267 -2.764) 5.085 4.125 ( 0.000 -2.208 -4.948) 5.419 4.286 ( 0.000 -6.586 -4.282) 7.856 4.421 ( 0.000 -2.168 -1.772) 2.800 4.422 ( 0.000 -11.833 -1.559) 11.935 4.491 ( 0.000 -2.321 -0.533) 2.382 4.696 ( 0.000 3.803 -5.475) 6.667 4.883 ( 0.000 2.400 0.932) 2.575 4.931 ( 0.000 -5.239 -6.898) 8.662 4.999 ( 0.000 -1.670 -2.067) 2.657 5.244 ( 0.000 -0.476 0.320) 0.573 5.315 ( 0.000 -1.819 -2.616) 3.186 12.081 ( 0.000 4.677 0.718) 4.732 12.275 ( 0.000 -4.005 -5.126) 6.505 12.956 ( 0.000 -0.570 5.120) 5.151 13.109 ( 0.000 -7.835 -0.138) 7.836 14.128 ( 0.000 2.389 -0.326) 2.412 14.160 ( 0.000 0.444 -1.055) 1.144 14.495 ( 0.000 4.495 0.708) 4.551 14.613 ( 0.000 -1.034 -2.111) 2.350 15.274 ( 0.000 0.815 -0.231) 0.847 15.373 ( 0.000 -4.108 -2.862) 5.007 15.687 ( 0.000 -1.663 0.844) 1.865 15.707 ( 0.000 -2.870 0.112) 2.872 26.454 ( 0.000 1.374 -0.388) 1.428 26.460 ( 0.000 0.041 -0.897) 0.898 26.601 ( 0.000 -2.290 2.401) 3.318 26.688 ( 0.000 -5.342 0.884) 5.415 28.393 ( 0.000 5.011 0.139) 5.013 28.423 ( 0.000 2.671 -1.396) 3.014 28.448 ( 0.000 4.279 1.606) 4.570 28.610 ( 0.000 0.476 -2.068) 2.122 28.623 ( 0.000 0.095 -0.922) 0.927 28.637 ( 0.000 -2.991 -0.628) 3.056 28.757 ( 0.000 -1.842 0.253) 1.859 28.804 ( 0.000 -3.217 -0.704) 3.294 54.180 ( 0.000 3.242 -5.887) 6.721 54.194 ( 0.000 2.546 -4.656) 5.307 54.398 ( 0.000 -4.598 -9.851) 10.871 54.435 ( 0.000 -6.600 -10.512) 12.412 55.061 ( 0.000 4.969 2.979) 5.794 55.095 ( 0.000 2.155 0.934) 2.348 55.547 ( 0.000 -0.796 3.961) 4.040 55.757 ( 0.000 -9.833 0.156) 9.834 56.155 ( 0.000 0.627 0.990) 1.172 56.178 ( 0.000 -0.481 0.338) 0.588 57.358 ( 0.000 1.197 0.426) 1.271 57.436 ( 0.000 -2.671 -1.604) 3.116 ======================= Grid point 183 (66/96) ======================= q-point: ( 0.17 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 2.498 14.877 12.062) 19.315 2.160 ( -3.435 0.341 3.710) 5.068 2.497 ( -5.571 3.314 -0.151) 6.484 2.552 ( -0.970 -2.282 1.579) 2.940 2.604 ( 0.974 0.548 8.229) 8.305 2.637 ( -5.949 6.138 7.791) 11.566 2.850 ( -0.756 1.646 4.695) 5.032 2.954 ( 7.517 -8.121 -3.262) 11.537 2.986 ( 2.583 0.147 6.613) 7.101 3.119 ( 6.849 -0.680 -0.327) 6.891 3.461 ( 9.653 14.418 8.334) 19.249 3.648 ( -8.409 6.967 6.155) 12.535 3.943 ( -3.632 -4.988 -3.362) 7.026 4.205 ( 5.284 2.699 -7.448) 9.522 4.295 ( 0.968 -8.299 -1.069) 8.423 4.369 ( -3.784 -3.740 -1.112) 5.436 4.442 ( -0.976 -3.459 -1.588) 3.930 4.525 ( 4.696 -3.072 -1.009) 5.702 4.689 ( -0.517 2.639 -4.699) 5.414 4.883 ( 0.159 2.379 0.241) 2.396 4.910 ( -2.164 -4.750 -6.216) 8.117 5.002 ( 0.298 -1.276 -2.499) 2.822 5.231 ( -1.354 -1.635 0.029) 2.123 5.298 ( -1.701 -2.463 -2.627) 3.982 12.135 ( 5.382 4.869 0.825) 7.305 12.322 ( 4.601 -3.153 -4.843) 7.387 12.909 ( -4.649 -1.287 4.817) 6.817 13.061 ( -4.837 -8.122 -0.362) 9.460 14.161 ( 3.306 2.635 -0.224) 4.234 14.201 ( 3.975 0.423 -1.087) 4.142 14.480 ( -1.532 4.388 0.696) 4.699 14.594 ( -1.985 -0.957 -1.987) 2.968 15.289 ( 1.624 0.734 -0.168) 1.790 15.385 ( 1.248 -4.013 -2.733) 5.013 15.649 ( -3.737 -1.610 0.783) 4.144 15.675 ( -3.126 -3.100 -0.106) 4.404 26.461 ( 0.692 1.590 -0.466) 1.795 26.465 ( 0.460 0.453 -0.837) 1.057 26.602 ( 0.111 -2.845 2.349) 3.691 26.680 ( -0.817 -5.374 0.959) 5.520 28.400 ( 0.677 5.235 -0.017) 5.279 28.425 ( 0.185 3.033 -1.336) 3.320 28.454 ( 0.700 3.835 1.539) 4.191 28.588 ( -1.672 0.845 -1.003) 2.125 28.636 ( 0.718 -0.620 -1.218) 1.544 28.641 ( 0.507 -2.138 -1.083) 2.450 28.750 ( -0.571 -2.232 0.177) 2.311 28.795 ( -0.938 -3.378 -0.705) 3.576 54.180 ( -0.034 3.379 -5.870) 6.773 54.194 ( -0.113 2.765 -4.809) 5.548 54.400 ( 0.194 -4.868 -9.707) 10.860 54.432 ( -0.305 -6.588 -10.241) 12.181 55.082 ( 2.188 4.982 3.005) 6.216 55.122 ( 2.652 2.674 0.828) 3.856 55.525 ( -2.073 -1.354 3.917) 4.634 55.705 ( -4.840 -8.325 0.639) 9.651 56.233 ( 7.910 0.797 1.051) 8.019 56.275 ( 9.436 -1.673 -0.168) 9.584 57.277 ( -8.168 1.210 0.540) 8.274 57.359 ( -7.849 -2.895 -1.609) 8.519 ======================= Grid point 184 (67/96) ======================= q-point: ( 0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 2.269 17.145 12.298) 21.221 2.092 ( -3.502 8.055 6.307) 10.813 2.419 ( -1.043 6.177 4.896) 7.951 2.521 ( -1.552 4.143 0.327) 4.436 2.544 ( -2.455 0.791 7.127) 7.580 2.617 ( -2.601 2.775 8.586) 9.390 2.856 ( 2.622 -4.235 2.170) 5.433 3.001 ( -0.404 -0.884 -0.238) 1.001 3.083 ( 5.412 -5.037 4.509) 8.660 3.314 ( 10.643 -8.097 -2.535) 13.611 3.448 ( -7.008 -3.455 6.528) 10.182 3.692 ( 6.522 5.326 3.705) 9.199 3.872 ( -0.665 0.429 -1.840) 2.003 4.223 ( -7.746 5.805 -0.004) 9.680 4.277 ( 1.066 -4.923 -4.398) 6.687 4.334 ( 0.123 -2.487 -2.742) 3.704 4.452 ( 2.767 1.402 -1.328) 3.374 4.588 ( -0.405 4.243 -3.020) 5.224 4.709 ( 3.529 -4.814 -3.335) 6.837 4.852 ( -3.471 -5.095 -5.918) 8.546 4.903 ( 2.211 4.291 0.602) 4.865 5.008 ( -0.134 0.834 -2.535) 2.672 5.200 ( -1.316 -5.030 -0.928) 5.281 5.253 ( -2.670 -4.358 -2.728) 5.793 12.277 ( 8.733 5.608 0.985) 10.425 12.431 ( 5.422 0.811 -3.750) 6.642 12.797 ( -5.647 -4.943 3.712) 8.373 12.932 ( -8.031 -9.099 -0.761) 12.160 14.246 ( 5.124 3.287 -0.037) 6.088 14.302 ( 5.952 0.614 -1.281) 6.119 14.435 ( -2.987 3.773 0.695) 4.862 14.535 ( -4.160 -0.758 -1.623) 4.530 15.339 ( 3.552 0.497 -0.027) 3.587 15.421 ( 2.408 -3.383 -2.302) 4.748 15.555 ( -5.402 -1.765 0.588) 5.714 15.596 ( -4.679 -3.705 -0.681) 6.007 26.474 ( 0.589 1.435 -0.652) 1.683 26.477 ( 0.623 2.111 -0.662) 2.299 26.609 ( 0.645 -4.221 2.124) 4.769 26.657 ( -1.417 -5.419 1.206) 5.730 28.415 ( 0.759 5.587 -0.426) 5.654 28.428 ( 0.082 4.009 -1.161) 4.174 28.475 ( 1.480 2.755 1.321) 3.395 28.551 ( -2.065 1.343 -0.019) 2.464 28.648 ( 0.547 -1.154 -1.023) 1.636 28.654 ( 0.552 -0.616 -1.481) 1.697 28.740 ( -0.311 -3.366 -0.053) 3.380 28.771 ( -1.431 -3.791 -0.661) 4.106 54.180 ( 0.110 3.592 -5.783) 6.809 54.190 ( -0.275 3.218 -5.158) 6.086 54.406 ( 0.376 -5.481 -9.456) 10.936 54.424 ( -0.483 -6.461 -9.730) 11.690 55.140 ( 3.519 5.395 2.889) 7.059 55.182 ( 2.794 4.399 0.926) 5.293 55.481 ( -1.799 -3.429 3.652) 5.322 55.592 ( -6.202 -6.569 1.446) 9.149 56.449 ( 13.861 1.179 1.029) 13.949 56.519 ( 14.991 -2.753 -0.947) 15.271 57.056 ( -13.993 1.078 0.824) 14.059 57.143 ( -13.880 -3.399 -1.533) 14.372 ======================= Grid point 185 (68/96) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -3.133 15.667 10.516) 19.127 2.024 ( 3.133 15.667 10.516) 19.127 2.463 ( -4.138 1.939 0.989) 4.676 2.463 ( 4.138 1.939 0.989) 4.676 2.548 ( -2.738 5.109 9.685) 11.287 2.548 ( 2.738 5.109 9.685) 11.287 2.939 ( -4.804 -4.350 -0.209) 6.484 2.939 ( 4.804 -4.350 -0.209) 6.484 3.232 ( -9.111 -2.887 6.191) 11.388 3.232 ( 9.111 -2.887 6.191) 11.388 3.594 ( -11.402 -12.895 -3.399) 17.545 3.594 ( 11.402 -12.895 -3.399) 17.545 4.028 ( -11.271 10.772 3.050) 15.886 4.028 ( 11.271 10.772 3.050) 15.886 4.310 ( -1.966 -3.753 -2.944) 5.159 4.310 ( 1.966 -3.753 -2.944) 5.159 4.531 ( -4.353 5.684 -3.356) 7.907 4.531 ( 4.353 5.684 -3.356) 7.907 4.783 ( -3.566 -5.441 -4.378) 7.841 4.783 ( 3.566 -5.441 -4.378) 7.841 4.969 ( -3.743 3.714 -0.540) 5.301 4.969 ( 3.743 3.714 -0.540) 5.301 5.205 ( -1.886 -6.634 -2.483) 7.330 5.205 ( 1.886 -6.634 -2.483) 7.330 12.437 ( -5.989 6.842 -0.066) 9.093 12.437 ( 5.989 6.842 -0.066) 9.093 12.784 ( -5.479 -10.638 0.103) 11.967 12.784 ( 5.479 -10.638 0.103) 11.967 14.343 ( -4.107 4.170 -0.162) 5.855 14.343 ( 4.107 4.170 -0.162) 5.855 14.438 ( -5.311 -0.595 -0.872) 5.415 14.438 ( 5.311 -0.595 -0.872) 5.415 15.422 ( -4.261 0.252 -0.195) 4.272 15.422 ( 4.261 0.252 -0.195) 4.272 15.512 ( -3.116 -4.533 -1.071) 5.604 15.512 ( 3.116 -4.533 -1.071) 5.604 26.482 ( -0.124 2.204 -0.642) 2.299 26.482 ( 0.124 2.204 -0.642) 2.299 26.629 ( -1.379 -5.229 1.653) 5.655 26.629 ( 1.379 -5.229 1.653) 5.655 28.426 ( -0.334 5.136 -0.856) 5.218 28.426 ( 0.334 5.136 -0.856) 5.218 28.510 ( -2.029 1.885 0.812) 2.886 28.510 ( 2.029 1.885 0.812) 2.886 28.657 ( -0.255 -0.462 -1.237) 1.345 28.657 ( 0.255 -0.462 -1.237) 1.345 28.746 ( -0.952 -4.132 -0.437) 4.263 28.746 ( 0.952 -4.132 -0.437) 4.263 54.184 ( -0.273 3.561 -5.534) 6.586 54.184 ( 0.273 3.561 -5.534) 6.586 54.414 ( -0.494 -6.086 -9.418) 11.224 54.414 ( 0.494 -6.086 -9.418) 11.224 55.198 ( -1.581 6.058 2.061) 6.591 55.198 ( 1.581 6.058 2.061) 6.591 55.491 ( -3.364 -5.823 2.511) 7.178 55.491 ( 3.364 -5.823 2.511) 7.178 56.737 ( -12.036 1.995 0.225) 12.203 56.737 ( 12.036 1.995 0.225) 12.203 56.852 ( -12.468 -4.161 -0.625) 13.159 56.852 ( 12.468 -4.161 -0.625) 13.159 ======================= Grid point 189 (69/96) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.000 -6.993 6.172) 9.327 2.095 ( 0.000 6.993 6.172) 9.327 2.547 ( 0.000 -0.123 9.413) 9.414 2.547 ( 0.000 0.123 9.413) 9.414 2.611 ( 0.000 -7.147 -5.527) 9.035 2.611 ( 0.000 7.147 -5.527) 9.035 2.930 ( 0.000 -2.689 9.244) 9.628 2.930 ( 0.000 2.689 9.244) 9.628 3.023 ( 0.000 -8.791 2.616) 9.172 3.023 ( 0.000 8.791 2.616) 9.172 3.675 ( 0.000 -15.010 3.338) 15.377 3.675 ( 0.000 15.010 3.338) 15.377 4.101 ( 0.000 -6.775 5.977) 9.034 4.101 ( 0.000 6.775 5.977) 9.034 4.183 ( 0.000 -3.907 -8.641) 9.483 4.183 ( 0.000 3.907 -8.641) 9.483 4.442 ( 0.000 -2.512 -3.532) 4.334 4.442 ( 0.000 2.512 -3.532) 4.334 4.796 ( 0.000 -6.002 -7.219) 9.388 4.796 ( 0.000 6.002 -7.219) 9.388 4.955 ( 0.000 -2.684 0.333) 2.705 4.955 ( 0.000 2.684 0.333) 2.705 5.272 ( 0.000 -2.380 -0.531) 2.438 5.272 ( 0.000 2.380 -0.531) 2.438 12.181 ( 0.000 -5.319 -2.017) 5.688 12.181 ( 0.000 5.319 -2.017) 5.688 12.991 ( 0.000 -4.105 2.287) 4.699 12.991 ( 0.000 4.105 2.287) 4.699 14.158 ( 0.000 -0.756 -0.801) 1.101 14.158 ( 0.000 0.756 -0.801) 1.101 14.572 ( 0.000 -3.189 -0.935) 3.323 14.572 ( 0.000 3.189 -0.935) 3.323 15.306 ( 0.000 -2.596 -1.783) 3.150 15.306 ( 0.000 2.596 -1.783) 3.150 15.674 ( 0.000 -0.458 0.578) 0.738 15.674 ( 0.000 0.458 0.578) 0.738 26.466 ( 0.000 -0.218 -0.157) 0.268 26.466 ( 0.000 0.218 -0.157) 0.268 26.605 ( 0.000 -2.696 0.824) 2.819 26.605 ( 0.000 2.696 0.824) 2.819 28.448 ( 0.000 -0.516 0.043) 0.518 28.448 ( 0.000 0.516 0.043) 0.518 28.541 ( 0.000 -5.011 0.542) 5.040 28.541 ( 0.000 5.011 0.542) 5.040 28.626 ( 0.000 -0.228 -1.957) 1.971 28.626 ( 0.000 0.228 -1.957) 1.971 28.754 ( 0.000 -1.597 -0.439) 1.656 28.754 ( 0.000 1.597 -0.439) 1.656 54.247 ( 0.000 -0.816 -5.587) 5.647 54.247 ( 0.000 0.816 -5.587) 5.647 54.326 ( 0.000 -1.360 -9.856) 9.950 54.326 ( 0.000 1.360 -9.856) 9.950 55.125 ( 0.000 -0.422 2.003) 2.047 55.125 ( 0.000 0.422 2.003) 2.047 55.590 ( 0.000 -6.015 0.843) 6.074 55.590 ( 0.000 6.015 0.843) 6.074 56.167 ( 0.000 -0.602 0.732) 0.948 56.167 ( 0.000 0.602 0.732) 0.948 57.390 ( 0.000 -2.051 -0.624) 2.143 57.390 ( 0.000 2.051 -0.624) 2.143 ======================= Grid point 191 (70/96) ======================= q-point: ( 0.17 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 3.035 -5.161 7.087) 9.278 2.125 ( 3.035 5.161 7.087) 9.278 2.488 ( -3.173 -1.231 4.321) 5.501 2.488 ( -3.173 1.231 4.321) 5.501 2.695 ( 4.270 -8.223 1.564) 9.397 2.695 ( 4.270 8.223 1.564) 9.397 2.869 ( -4.006 -3.801 6.130) 8.251 2.869 ( -4.006 3.801 6.130) 8.251 3.045 ( 1.908 -6.100 3.240) 7.166 3.045 ( 1.908 6.100 3.240) 7.166 3.669 ( -2.222 -7.495 3.075) 8.401 3.669 ( -2.222 7.495 3.075) 8.401 4.020 ( -1.768 -14.036 0.971) 14.180 4.020 ( -1.768 14.036 0.971) 14.180 4.302 ( 5.379 -5.437 -4.716) 8.986 4.302 ( 5.379 5.437 -4.716) 8.986 4.448 ( 1.793 -3.179 -2.044) 4.183 4.448 ( 1.793 3.179 -2.044) 4.183 4.782 ( -1.451 -5.906 -6.620) 8.990 4.782 ( -1.451 5.906 -6.620) 8.990 4.958 ( 0.472 -3.063 -0.370) 3.121 4.958 ( 0.472 3.063 -0.370) 3.121 5.246 ( -2.576 -2.429 -0.625) 3.596 5.246 ( -2.576 2.429 -0.625) 3.596 12.236 ( 5.578 -5.223 -1.748) 7.839 12.236 ( 5.578 5.223 -1.748) 7.839 12.939 ( -5.309 -4.186 1.952) 7.037 12.939 ( -5.309 4.186 1.952) 7.037 14.196 ( 3.757 -0.960 -0.746) 3.949 14.196 ( 3.757 0.960 -0.746) 3.949 14.555 ( -1.777 -3.069 -0.900) 3.659 14.555 ( -1.777 3.069 -0.900) 3.659 15.320 ( 1.446 -2.506 -1.654) 3.333 15.320 ( 1.446 2.506 -1.654) 3.333 15.639 ( -3.525 -0.629 0.414) 3.604 15.639 ( -3.525 0.629 0.414) 3.604 26.476 ( 1.052 -0.418 -0.085) 1.135 26.476 ( 1.052 0.418 -0.085) 1.135 26.597 ( -0.815 -2.564 0.765) 2.797 26.597 ( -0.815 2.564 0.765) 2.797 28.456 ( 0.824 -0.308 0.033) 0.880 28.456 ( 0.824 0.308 0.033) 0.880 28.539 ( -0.270 -4.582 0.365) 4.604 28.539 ( -0.270 4.582 0.365) 4.604 28.629 ( 0.413 -0.787 -1.708) 1.926 28.629 ( 0.413 0.787 -1.708) 1.926 28.743 ( -1.122 -1.566 -0.481) 1.986 28.743 ( -1.122 1.566 -0.481) 1.986 54.252 ( 0.514 -0.940 -5.836) 5.933 54.252 ( 0.514 0.940 -5.836) 5.933 54.319 ( -0.610 -1.344 -9.512) 9.626 54.319 ( -0.610 1.344 -9.512) 9.626 55.154 ( 2.934 -1.072 1.916) 3.665 55.154 ( 2.934 1.072 1.916) 3.665 55.555 ( -3.430 -5.416 0.976) 6.485 55.555 ( -3.430 5.416 0.976) 6.485 56.250 ( 8.357 -1.003 0.609) 8.439 56.250 ( 8.357 1.003 0.609) 8.439 57.309 ( -8.110 -2.130 -0.557) 8.404 57.309 ( -8.110 2.130 -0.557) 8.404 ======================= Grid point 193 (71/96) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 5.332 -3.341 8.771) 10.795 2.208 ( 5.332 3.341 8.771) 10.795 2.425 ( -4.054 -4.435 5.789) 8.344 2.425 ( -4.054 4.435 5.790) 8.344 2.716 ( -0.269 -6.248 6.134) 8.760 2.716 ( -0.269 6.248 6.134) 8.760 2.816 ( -2.804 -11.652 0.834) 12.013 2.816 ( -2.804 11.652 0.834) 12.013 3.139 ( 8.481 -7.729 1.882) 11.628 3.139 ( 8.481 7.729 1.882) 11.628 3.551 ( -9.321 -10.680 1.600) 14.266 3.551 ( -9.321 10.680 1.600) 14.266 4.075 ( 6.091 -12.527 1.005) 13.965 4.075 ( 6.091 12.527 1.005) 13.965 4.307 ( -3.559 -2.191 -3.121) 5.216 4.307 ( -3.559 2.191 -3.121) 5.216 4.545 ( 6.498 -6.344 -2.410) 9.395 4.545 ( 6.498 6.344 -2.410) 9.395 4.739 ( -3.090 -5.722 -5.488) 8.509 4.739 ( -3.090 5.722 -5.488) 8.509 4.988 ( 3.043 -3.688 -1.352) 4.969 4.988 ( 3.043 3.688 -1.352) 4.969 5.175 ( -4.697 -2.758 -0.906) 5.522 5.175 ( -4.697 2.758 -0.906) 5.522 12.387 ( 9.608 -4.977 -1.011) 10.868 12.387 ( 9.608 4.977 -1.011) 10.868 12.793 ( -9.351 -4.393 1.096) 10.390 12.793 ( -9.351 4.393 1.096) 10.390 14.293 ( 5.877 -1.457 -0.672) 6.092 14.293 ( 5.877 1.457 -0.672) 6.092 14.501 ( -3.802 -2.695 -0.804) 4.729 14.501 ( -3.802 2.695 -0.804) 4.729 15.364 ( 3.226 -2.203 -1.268) 4.107 15.364 ( 3.226 2.203 -1.268) 4.107 15.549 ( -5.382 -1.080 -0.047) 5.489 15.549 ( -5.382 1.080 -0.047) 5.489 26.504 ( 1.748 -0.929 0.106) 1.983 26.504 ( 1.748 0.929 0.106) 1.983 26.574 ( -1.514 -2.173 0.598) 2.715 26.574 ( -1.514 2.173 0.598) 2.715 28.478 ( 1.351 -0.437 -0.005) 1.420 28.478 ( 1.351 0.437 -0.005) 1.420 28.528 ( -0.921 -3.186 0.043) 3.317 28.528 ( -0.921 3.186 0.043) 3.317 28.645 ( 1.252 -0.972 -1.185) 1.979 28.645 ( 1.252 0.972 -1.185) 1.979 28.713 ( -1.835 -1.448 -0.602) 2.414 28.713 ( -1.835 1.448 -0.602) 2.414 54.266 ( 0.855 -1.126 -6.539) 6.690 54.266 ( 0.855 1.126 -6.539) 6.690 54.304 ( -0.962 -1.301 -8.639) 8.789 54.304 ( -0.962 1.301 -8.639) 8.789 55.234 ( 5.169 -1.954 1.739) 5.793 55.234 ( 5.169 1.954 1.739) 5.793 55.465 ( -5.659 -4.164 1.261) 7.138 55.465 ( -5.659 4.164 1.261) 7.138 56.476 ( 14.417 -1.690 0.305) 14.519 56.476 ( 14.417 1.690 0.305) 14.519 57.088 ( -14.163 -2.240 -0.359) 14.343 57.088 ( -14.163 2.240 -0.359) 14.343 ======================= Grid point 195 (72/96) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -3.445 -12.921 8.819) 16.018 2.322 ( 1.104 -12.817 8.819) 15.597 2.322 ( -1.104 12.817 8.819) 15.597 2.322 ( 3.445 12.921 8.819) 16.018 2.747 ( -3.230 -12.285 2.674) 12.981 2.747 ( 3.147 -12.279 2.674) 12.955 2.747 ( -3.147 12.279 2.674) 12.955 2.747 ( 3.230 12.285 2.674) 12.981 3.343 ( -11.251 -11.548 1.008) 16.155 3.343 ( 10.250 -11.313 1.008) 15.299 3.343 ( -10.250 11.313 1.008) 15.299 3.343 ( 11.251 11.548 1.008) 16.155 4.205 ( -6.460 -7.162 -0.346) 9.651 4.205 ( 6.147 -7.092 -0.346) 9.392 4.205 ( -6.147 7.092 -0.346) 9.392 4.205 ( 6.460 7.162 -0.346) 9.651 4.659 ( -4.744 -6.802 -4.294) 9.339 4.659 ( 3.716 -6.640 -4.294) 8.737 4.659 ( -3.716 6.640 -4.294) 8.737 4.659 ( 4.744 6.802 -4.294) 9.339 5.074 ( -3.978 -6.231 -1.313) 7.508 5.074 ( 0.805 -5.918 -1.313) 6.116 5.074 ( -0.805 5.918 -1.313) 6.116 5.074 ( 3.978 6.231 -1.313) 7.508 12.592 ( -8.754 -8.356 0.015) 12.102 12.592 ( -1.156 -7.141 0.015) 7.234 12.592 ( 1.156 7.141 0.015) 7.234 12.592 ( 8.754 8.356 0.015) 12.102 14.408 ( -5.430 -2.356 -0.697) 5.960 14.408 ( -2.709 -0.111 -0.697) 2.800 14.408 ( 2.709 0.111 -0.697) 2.800 14.408 ( 5.430 2.356 -0.697) 5.960 15.445 ( -4.657 -2.110 -0.678) 5.157 15.445 ( -2.300 -0.592 -0.678) 2.470 15.445 ( 2.300 0.592 -0.678) 2.470 15.445 ( 4.657 2.110 -0.678) 5.157 26.541 ( -1.118 -3.717 0.358) 3.898 26.541 ( 0.342 -3.679 0.358) 3.712 26.541 ( -0.342 3.679 0.358) 3.712 26.541 ( 1.118 3.717 0.358) 3.898 28.505 ( -1.027 -2.581 -0.053) 2.779 28.505 ( 0.547 -2.545 -0.053) 2.603 28.505 ( -0.547 2.545 -0.053) 2.603 28.505 ( 1.027 2.581 -0.053) 2.779 28.676 ( -1.251 -2.597 -0.811) 2.995 28.676 ( 0.208 -2.523 -0.811) 2.658 28.676 ( -0.208 2.523 -0.811) 2.658 28.676 ( 1.251 2.597 -0.811) 2.995 54.284 ( -0.270 -6.425 -7.552) 9.919 54.284 ( 0.116 -6.424 -7.552) 9.915 54.284 ( -0.116 6.424 -7.552) 9.915 54.284 ( 0.270 6.425 -7.552) 9.919 55.347 ( -3.805 -7.945 1.531) 8.942 55.347 ( -0.127 -7.714 1.531) 7.866 55.347 ( 0.127 7.714 1.531) 7.866 55.347 ( 3.805 7.945 1.531) 8.942 56.784 ( -16.229 -2.470 -0.053) 16.416 56.784 ( -15.720 1.429 -0.053) 15.785 56.784 ( 15.720 -1.429 -0.053) 15.785 56.784 ( 16.229 2.470 -0.053) 16.416 ======================= Grid point 231 (73/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.000 0.000 18.524) 18.524 1.563 ( 0.000 0.000 21.325) 21.325 1.750 ( 0.000 0.000 -15.082) 15.082 1.958 ( 0.000 0.000 -13.922) 13.922 2.794 ( 0.000 0.000 15.633) 15.633 2.908 ( 0.000 0.000 -1.199) 1.199 2.999 ( 0.000 0.000 20.652) 20.652 3.215 ( 0.000 0.000 1.025) 1.025 3.235 ( 0.000 0.000 -0.765) 0.765 3.333 ( 0.000 0.000 7.046) 7.046 3.456 ( 0.000 0.000 -2.142) 2.142 3.621 ( 0.000 0.000 -26.469) 26.469 3.905 ( 0.000 0.000 4.818) 4.818 4.017 ( 0.000 0.000 -5.484) 5.484 4.033 ( 0.000 0.000 3.608) 3.608 4.084 ( 0.000 0.000 -1.192) 1.192 4.655 ( 0.000 0.000 9.279) 9.279 4.675 ( 0.000 0.000 4.717) 4.717 4.770 ( 0.000 0.000 -4.091) 4.091 4.827 ( 0.000 0.000 -3.780) 3.780 5.087 ( 0.000 0.000 -4.556) 4.556 5.131 ( 0.000 0.000 -6.222) 6.222 5.338 ( 0.000 0.000 1.130) 1.130 5.421 ( 0.000 0.000 -6.047) 6.047 12.049 ( 0.000 0.000 5.752) 5.752 12.178 ( 0.000 0.000 -6.256) 6.256 13.430 ( 0.000 0.000 7.479) 7.479 13.581 ( 0.000 0.000 -6.564) 6.564 13.940 ( 0.000 0.000 2.380) 2.380 13.992 ( 0.000 0.000 -2.445) 2.445 14.380 ( 0.000 0.000 5.156) 5.156 14.480 ( 0.000 0.000 -4.099) 4.099 15.360 ( 0.000 0.000 5.515) 5.515 15.478 ( 0.000 0.000 -5.478) 5.478 15.918 ( 0.000 0.000 1.738) 1.738 15.953 ( 0.000 0.000 -1.424) 1.424 26.502 ( 0.000 0.000 -0.267) 0.267 26.508 ( 0.000 0.000 -0.675) 0.675 27.193 ( 0.000 0.000 4.207) 4.207 27.260 ( 0.000 0.000 -2.219) 2.219 28.011 ( 0.000 0.000 0.648) 0.648 28.018 ( 0.000 0.000 -0.128) 0.128 28.334 ( 0.000 0.000 3.290) 3.290 28.416 ( 0.000 0.000 -4.288) 4.288 28.527 ( 0.000 0.000 0.208) 0.208 28.530 ( 0.000 0.000 -0.234) 0.234 28.999 ( 0.000 0.000 0.127) 0.127 28.999 ( 0.000 0.000 0.233) 0.233 54.156 ( 0.000 0.000 5.480) 5.480 54.181 ( 0.000 0.000 3.386) 3.386 54.673 ( 0.000 0.000 -2.501) 2.501 54.682 ( 0.000 0.000 -3.183) 3.183 55.013 ( 0.000 0.000 8.625) 8.625 55.173 ( 0.000 0.000 -6.135) 6.135 55.642 ( 0.000 0.000 1.079) 1.079 55.673 ( 0.000 0.000 -1.675) 1.675 56.152 ( 0.000 0.000 1.024) 1.024 56.176 ( 0.000 0.000 -1.104) 1.104 57.421 ( 0.000 0.000 3.887) 3.887 57.509 ( 0.000 0.000 -4.230) 4.230 ======================= Grid point 232 (74/96) ======================= q-point: ( 0.17 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 12.480 0.000 16.475) 20.669 1.692 ( 12.284 0.000 18.562) 22.258 1.844 ( 9.367 0.000 -13.937) 16.793 2.046 ( 8.526 0.000 -12.718) 15.312 2.771 ( -4.859 0.000 7.648) 9.061 2.871 ( -3.648 0.000 0.886) 3.754 2.993 ( 2.396 0.000 24.680) 24.796 3.036 ( -15.106 0.000 3.692) 15.551 3.115 ( -12.124 0.000 -3.561) 12.636 3.340 ( -0.203 0.000 3.611) 3.616 3.423 ( -1.197 0.000 0.394) 1.260 3.692 ( 5.269 0.000 -23.779) 24.356 3.970 ( -5.753 0.000 7.356) 9.338 4.009 ( 8.927 0.000 4.460) 9.979 4.103 ( 0.556 0.000 -4.362) 4.397 4.110 ( 8.015 0.000 -4.828) 9.357 4.653 ( -2.246 0.000 4.514) 5.042 4.664 ( 1.329 0.000 8.114) 8.222 4.745 ( -2.606 0.000 -3.994) 4.769 4.831 ( -0.207 0.000 -5.662) 5.665 5.024 ( -4.246 0.000 -1.470) 4.494 5.103 ( -2.508 0.000 -7.673) 8.072 5.375 ( 2.722 0.000 1.057) 2.920 5.450 ( 2.117 0.000 -5.367) 5.769 12.082 ( 3.199 0.000 4.942) 5.887 12.194 ( 1.547 0.000 -5.478) 5.692 13.416 ( -1.276 0.000 6.619) 6.741 13.551 ( -2.992 0.000 -5.897) 6.613 13.968 ( 2.813 0.000 2.416) 3.708 14.020 ( 2.656 0.000 -2.302) 3.515 14.372 ( -0.798 0.000 4.816) 4.882 14.466 ( -1.469 0.000 -3.867) 4.137 15.374 ( 1.431 0.000 5.108) 5.304 15.484 ( 0.489 0.000 -5.106) 5.130 15.893 ( -2.412 0.000 1.817) 3.019 15.929 ( -2.295 0.000 -1.535) 2.761 26.493 ( -0.669 0.000 0.042) 0.670 26.504 ( -0.451 0.000 -0.878) 0.987 27.180 ( -1.184 0.000 3.909) 4.085 27.230 ( -2.680 0.000 -0.699) 2.769 28.012 ( 0.119 0.000 0.593) 0.605 28.018 ( 0.027 0.000 -0.081) 0.085 28.348 ( 1.256 0.000 2.396) 2.705 28.415 ( -0.075 0.000 -3.764) 3.765 28.527 ( -0.001 0.000 0.182) 0.182 28.530 ( -0.042 0.000 -0.203) 0.207 28.998 ( 0.104 0.000 0.484) 0.495 29.005 ( 0.338 0.000 -0.249) 0.420 54.157 ( 0.181 0.000 5.347) 5.350 54.179 ( -0.154 0.000 3.533) 3.536 54.673 ( 0.051 0.000 -2.554) 2.554 54.681 ( -0.076 0.000 -3.144) 3.145 55.031 ( 1.810 0.000 8.478) 8.669 55.184 ( 0.933 0.000 -5.619) 5.696 55.580 ( -5.983 0.000 2.334) 6.422 55.615 ( -3.936 0.000 -1.020) 4.066 56.243 ( 8.808 0.000 2.277) 9.097 56.310 ( 11.950 0.000 -4.315) 12.705 57.348 ( -7.290 0.000 4.189) 8.408 57.445 ( -6.515 0.000 -4.770) 8.074 ======================= Grid point 233 (75/96) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 18.987 0.000 12.298) 22.622 1.982 ( 16.237 0.000 13.511) 21.123 2.085 ( 14.249 0.000 -10.967) 17.980 2.255 ( 11.582 0.000 -10.933) 15.928 2.598 ( -10.950 0.000 9.836) 14.719 2.696 ( -18.614 0.000 5.799) 19.497 2.755 ( -8.514 0.000 -3.251) 9.113 2.823 ( -16.864 0.000 -5.810) 17.836 3.131 ( 10.308 0.000 20.045) 22.540 3.328 ( -0.368 0.000 0.351) 0.509 3.429 ( 1.309 0.000 9.062) 9.156 3.717 ( -7.436 0.000 2.573) 7.869 3.884 ( 1.811 0.000 -10.736) 10.888 4.077 ( -3.465 0.000 -11.218) 11.741 4.190 ( 8.796 0.000 3.739) 9.557 4.268 ( 6.925 0.000 -3.281) 7.663 4.597 ( -2.888 0.000 3.363) 4.433 4.673 ( -4.569 0.000 -3.536) 5.778 4.710 ( 3.012 0.000 6.223) 6.913 4.804 ( -2.100 0.000 -2.773) 3.478 4.982 ( 0.045 0.000 -2.577) 2.577 5.053 ( -2.442 0.000 -9.094) 9.416 5.423 ( 2.178 0.000 0.968) 2.384 5.475 ( 0.174 0.000 -3.498) 3.502 12.158 ( 4.081 0.000 2.856) 4.981 12.224 ( 1.083 0.000 -3.263) 3.438 13.394 ( -0.528 0.000 3.947) 3.982 13.477 ( -4.137 0.000 -3.744) 5.579 14.037 ( 3.757 0.000 2.297) 4.404 14.078 ( 2.591 0.000 -1.371) 2.931 14.357 ( -0.399 0.000 3.217) 3.242 14.424 ( -2.699 0.000 -2.898) 3.960 15.414 ( 2.620 0.000 3.571) 4.429 15.490 ( -0.227 0.000 -3.363) 3.371 15.842 ( -2.186 0.000 1.381) 2.585 15.874 ( -3.041 0.000 -1.479) 3.382 26.482 ( -0.402 0.000 0.158) 0.432 26.492 ( -0.717 0.000 -0.758) 1.043 27.156 ( -1.028 0.000 3.361) 3.515 27.177 ( -2.297 0.000 1.471) 2.727 28.015 ( 0.154 0.000 0.444) 0.470 28.018 ( -0.007 0.000 0.053) 0.054 28.375 ( 1.395 0.000 0.708) 1.564 28.411 ( -0.392 0.000 -2.496) 2.527 28.527 ( 0.017 0.000 0.108) 0.109 28.529 ( -0.059 0.000 -0.117) 0.131 29.002 ( 0.304 0.000 0.391) 0.495 29.009 ( 0.066 0.000 -0.332) 0.339 54.162 ( 0.305 0.000 4.977) 4.986 54.175 ( -0.278 0.000 3.930) 3.939 54.675 ( 0.098 0.000 -2.692) 2.694 54.679 ( -0.124 0.000 -3.033) 3.036 55.081 ( 3.247 0.000 7.586) 8.251 55.193 ( -0.646 0.000 -2.095) 2.192 55.478 ( -3.345 0.000 2.650) 4.268 55.534 ( -4.166 0.000 -2.226) 4.723 56.467 ( 13.420 0.000 3.710) 13.923 56.574 ( 13.637 0.000 -6.470) 15.094 57.159 ( -10.977 0.000 4.204) 11.754 57.267 ( -11.359 0.000 -5.682) 12.701 ======================= Grid point 234 (76/96) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -13.714 0.000 5.099) 14.631 2.192 ( 13.714 0.000 5.099) 14.631 2.278 ( -12.695 0.000 6.342) 14.191 2.278 ( 12.695 0.000 6.342) 14.191 2.516 ( -10.467 0.000 -4.680) 11.465 2.516 ( 10.467 0.000 -4.680) 11.465 2.560 ( -10.086 0.000 -2.186) 10.320 2.560 ( 10.086 0.000 -2.186) 10.320 3.302 ( -4.398 0.000 4.154) 6.050 3.302 ( 4.398 0.000 4.154) 6.050 3.510 ( -9.198 0.000 18.162) 20.359 3.510 ( 9.198 0.000 18.162) 20.359 3.981 ( -5.856 0.000 -17.837) 18.774 3.981 ( 5.856 0.000 -17.837) 18.774 4.317 ( -2.945 0.000 1.366) 3.246 4.317 ( 2.945 0.000 1.366) 3.246 4.589 ( -2.936 0.000 -1.206) 3.174 4.589 ( 2.936 0.000 -1.206) 3.174 4.763 ( -2.290 0.000 3.503) 4.185 4.763 ( 2.290 0.000 3.503) 4.185 5.007 ( -2.148 0.000 -7.548) 7.848 5.007 ( 2.148 0.000 -7.548) 7.848 5.459 ( -1.511 0.000 -0.880) 1.749 5.459 ( 1.511 0.000 -0.880) 1.749 12.219 ( -1.834 0.000 -0.107) 1.837 12.219 ( 1.834 0.000 -0.107) 1.837 13.410 ( -2.324 0.000 -0.079) 2.325 13.410 ( 2.324 0.000 -0.079) 2.325 14.093 ( -1.396 0.000 1.034) 1.737 14.093 ( 1.396 0.000 1.034) 1.737 14.373 ( -2.127 0.000 -0.355) 2.156 14.373 ( 2.127 0.000 -0.355) 2.156 15.465 ( -2.266 0.000 0.354) 2.294 15.465 ( 2.266 0.000 0.354) 2.294 15.829 ( -1.057 0.000 -0.354) 1.115 15.829 ( 1.057 0.000 -0.354) 1.115 26.481 ( -0.316 0.000 -0.237) 0.395 26.481 ( 0.316 0.000 -0.237) 0.395 27.149 ( -0.519 0.000 2.665) 2.716 27.149 ( 0.519 0.000 2.665) 2.716 28.017 ( -0.094 0.000 0.245) 0.262 28.017 ( 0.094 0.000 0.245) 0.262 28.398 ( -0.926 0.000 -0.945) 1.324 28.398 ( 0.926 0.000 -0.945) 1.324 28.528 ( -0.045 0.000 -0.001) 0.045 28.528 ( 0.045 0.000 -0.001) 0.045 29.008 ( -0.235 0.000 -0.001) 0.235 29.008 ( 0.235 0.000 -0.001) 0.235 54.169 ( -0.337 0.000 4.460) 4.473 54.169 ( 0.337 0.000 4.460) 4.473 54.677 ( -0.129 0.000 -2.869) 2.872 54.677 ( 0.129 0.000 -2.869) 2.872 55.150 ( -3.413 0.000 4.453) 5.610 55.150 ( 3.413 0.000 4.453) 5.610 55.469 ( -2.064 0.000 -1.304) 2.442 55.469 ( 2.064 0.000 -1.304) 2.442 56.698 ( -6.155 0.000 0.712) 6.196 56.698 ( 6.155 0.000 0.712) 6.196 57.060 ( -6.012 0.000 -3.001) 6.719 57.060 ( 6.012 0.000 -3.001) 6.719 ======================= Grid point 238 (77/96) ======================= q-point: ( 0.00 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 8.454 19.068) 20.858 1.674 ( 0.000 10.874 19.095) 21.974 1.842 ( 0.000 9.149 -14.710) 17.323 2.043 ( 0.000 8.361 -13.115) 15.553 2.816 ( 0.000 1.563 9.144) 9.277 2.894 ( 0.000 -1.297 -0.759) 1.503 2.951 ( 0.000 -2.495 17.780) 17.954 3.096 ( 0.000 -9.313 0.713) 9.340 3.221 ( 0.000 -2.939 4.147) 5.082 3.371 ( 0.000 -2.715 1.164) 2.954 3.388 ( 0.000 -4.574 3.718) 5.895 3.606 ( 0.000 0.646 -14.739) 14.753 3.874 ( 0.000 -1.424 -2.333) 2.733 3.952 ( 0.000 -0.629 -4.751) 4.792 4.160 ( 0.000 5.518 1.138) 5.634 4.176 ( 0.000 7.974 -0.668) 8.002 4.649 ( 0.000 -1.346 3.003) 3.290 4.659 ( 0.000 1.010 4.136) 4.258 4.791 ( 0.000 1.316 0.898) 1.593 4.858 ( 0.000 1.532 0.069) 1.534 5.052 ( 0.000 -3.300 -5.830) 6.699 5.093 ( 0.000 -3.874 -6.570) 7.627 5.323 ( 0.000 -1.452 0.403) 1.507 5.391 ( 0.000 -2.858 -5.489) 6.188 12.050 ( 0.000 0.191 5.693) 5.696 12.180 ( 0.000 0.227 -6.371) 6.375 13.386 ( 0.000 -4.359 7.156) 8.379 13.528 ( 0.000 -5.228 -6.078) 8.017 13.965 ( 0.000 2.410 2.274) 3.314 14.017 ( 0.000 2.237 -2.462) 3.327 14.392 ( 0.000 1.186 5.031) 5.169 14.491 ( 0.000 1.031 -4.092) 4.220 15.356 ( 0.000 -0.394 5.116) 5.132 15.468 ( 0.000 -1.095 -5.219) 5.332 15.893 ( 0.000 -2.524 1.615) 2.996 15.925 ( 0.000 -2.752 -1.351) 3.066 26.488 ( 0.000 -1.879 -0.320) 1.906 26.488 ( 0.000 -1.291 -0.511) 1.389 27.124 ( 0.000 -6.485 2.586) 6.981 27.141 ( 0.000 -10.147 1.039) 10.200 28.058 ( 0.000 3.912 0.357) 3.928 28.076 ( 0.000 5.449 -1.386) 5.622 28.343 ( 0.000 1.046 3.299) 3.461 28.424 ( 0.000 0.992 -4.172) 4.288 28.558 ( 0.000 2.672 0.772) 2.782 28.575 ( 0.000 3.741 -0.887) 3.845 28.974 ( 0.000 -2.440 0.444) 2.480 28.978 ( 0.000 -2.023 -0.066) 2.024 54.173 ( 0.000 1.268 5.210) 5.362 54.205 ( 0.000 2.353 3.169) 3.947 54.499 ( 0.000 -12.636 -3.366) 13.076 54.510 ( 0.000 -11.885 -3.967) 12.530 55.097 ( 0.000 3.596 7.022) 7.890 55.228 ( 0.000 0.799 -4.780) 4.847 55.673 ( 0.000 3.097 3.335) 4.551 55.756 ( 0.000 7.588 -4.362) 8.752 56.154 ( 0.000 0.124 1.052) 1.059 56.176 ( 0.000 0.048 -1.025) 1.026 57.414 ( 0.000 -0.609 3.697) 3.747 57.499 ( 0.000 -1.028 -4.043) 4.172 ======================= Grid point 239 (78/96) ======================= q-point: ( 0.17 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 6.560 3.124 18.331) 19.719 1.823 ( 11.347 9.161 11.004) 18.269 1.886 ( 6.730 6.792 -8.833) 13.017 2.157 ( 9.929 9.540 -11.951) 18.232 2.734 ( -9.695 -4.083 6.101) 12.161 2.834 ( -7.015 -3.607 -1.684) 8.066 2.928 ( -1.164 -0.631 11.799) 11.873 3.026 ( -5.070 -4.893 -0.481) 7.062 3.155 ( -4.538 4.843 16.622) 17.898 3.360 ( 1.272 -2.516 5.874) 6.515 3.422 ( -0.590 0.666 -0.639) 1.096 3.660 ( 5.715 -1.985 -20.669) 21.536 3.908 ( 0.811 -2.514 2.060) 3.350 3.976 ( 2.471 -2.150 -1.897) 3.785 4.156 ( 1.278 5.307 1.063) 5.561 4.213 ( 2.361 5.616 -2.764) 6.689 4.629 ( -1.602 -1.309 3.213) 3.822 4.662 ( 0.160 -0.002 1.752) 1.759 4.766 ( -2.209 1.523 2.231) 3.489 4.862 ( -0.181 1.963 -2.572) 3.241 5.000 ( -3.744 -2.342 -2.914) 5.291 5.069 ( -2.039 -3.344 -7.635) 8.581 5.350 ( 2.229 -2.271 0.553) 3.230 5.415 ( 1.772 -3.330 -4.965) 6.235 12.084 ( 3.270 0.272 4.963) 5.950 12.198 ( 1.691 0.401 -5.615) 5.878 13.369 ( -1.509 -4.611 6.363) 8.002 13.496 ( -3.065 -5.320 -5.494) 8.239 13.994 ( 2.794 2.401 2.332) 4.360 14.045 ( 2.697 2.296 -2.358) 4.255 14.383 ( -0.873 1.113 4.738) 4.944 14.476 ( -1.491 1.009 -3.871) 4.269 15.370 ( 1.430 -0.393 4.763) 4.989 15.475 ( 0.597 -0.995 -4.889) 5.024 15.865 ( -2.559 -2.669 1.714) 4.075 15.900 ( -2.395 -2.856 -1.480) 4.010 26.478 ( -0.641 -1.484 0.009) 1.617 26.486 ( -0.373 -1.561 -0.765) 1.778 27.113 ( -1.011 -6.606 2.740) 7.223 27.129 ( -1.159 -8.616 1.346) 8.797 28.058 ( 0.004 3.906 0.296) 3.917 28.072 ( -0.346 5.200 -0.995) 5.305 28.355 ( 1.036 0.852 2.566) 2.895 28.421 ( -0.227 0.867 -3.581) 3.691 28.559 ( 0.117 2.757 0.614) 2.827 28.573 ( -0.146 3.645 -0.766) 3.728 28.974 ( 0.034 -2.400 0.532) 2.458 28.982 ( 0.221 -2.265 -0.296) 2.295 54.177 ( 0.313 1.413 5.160) 5.359 54.205 ( -0.104 2.390 3.378) 4.139 54.499 ( 0.029 -12.618 -3.407) 13.069 54.509 ( -0.104 -11.927 -3.930) 12.558 55.124 ( 2.729 4.147 6.974) 8.561 55.254 ( 2.544 1.302 -4.747) 5.541 55.625 ( -4.748 3.439 2.044) 6.209 55.659 ( -7.692 6.139 -0.841) 9.878 56.244 ( 8.767 0.090 2.263) 9.055 56.309 ( 11.650 -0.157 -4.126) 12.360 57.341 ( -7.349 -0.664 3.977) 8.382 57.433 ( -6.665 -1.184 -4.508) 8.133 ======================= Grid point 240 (79/96) ======================= q-point: ( 0.33 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 14.832 -4.067 14.306) 21.004 2.014 ( 10.900 -2.255 -9.555) 14.669 2.126 ( 12.495 6.974 9.076) 16.945 2.321 ( 0.993 1.331 -6.398) 6.610 2.535 ( -6.032 -1.873 5.661) 8.482 2.642 ( -8.711 -1.572 -1.467) 8.972 2.794 ( -11.609 4.849 4.458) 13.348 2.919 ( -7.182 3.851 -4.401) 9.262 3.206 ( 8.624 7.203 19.501) 22.507 3.373 ( -1.630 3.945 1.226) 4.441 3.411 ( 2.454 -1.748 7.930) 8.483 3.753 ( -3.856 3.179 -5.062) 7.114 3.845 ( 0.847 -2.705 -3.906) 4.826 4.028 ( -0.028 -3.678 -7.464) 8.321 4.220 ( 4.912 1.548 0.356) 5.162 4.272 ( 3.969 0.271 -3.399) 5.232 4.587 ( -2.420 -0.967 2.435) 3.567 4.643 ( -3.253 -2.230 -2.574) 4.709 4.744 ( 1.016 2.472 5.905) 6.482 4.829 ( -2.700 2.042 -1.931) 3.897 4.964 ( 0.195 -1.907 -2.787) 3.382 5.028 ( -2.047 -2.458 -8.774) 9.338 5.393 ( 2.028 -2.827 0.484) 3.513 5.437 ( 0.271 -3.549 -3.319) 4.867 12.162 ( 4.245 0.544 2.964) 5.206 12.231 ( 1.207 0.750 -3.378) 3.664 13.342 ( -0.819 -5.193 3.839) 6.510 13.421 ( -4.223 -5.532 -3.532) 7.805 14.062 ( 3.784 2.433 2.245) 5.028 14.104 ( 2.664 2.476 -1.504) 3.936 14.366 ( -0.503 0.906 3.234) 3.396 14.434 ( -2.748 0.941 -2.932) 4.127 15.411 ( 2.633 -0.369 3.384) 4.303 15.483 ( -0.020 -0.657 -3.281) 3.346 15.811 ( -2.408 -3.075 1.343) 4.130 15.842 ( -3.186 -3.117 -1.486) 4.698 26.467 ( -0.370 -1.334 0.095) 1.388 26.476 ( -0.620 -1.430 -0.702) 1.710 27.093 ( -0.780 -6.234 2.886) 6.914 27.104 ( -1.182 -6.509 1.848) 6.868 28.059 ( 0.050 3.954 0.155) 3.957 28.065 ( -0.299 4.654 -0.403) 4.681 28.378 ( 1.257 0.578 1.066) 1.746 28.414 ( -0.533 0.638 -2.191) 2.343 28.562 ( 0.181 2.954 0.263) 2.972 28.570 ( -0.208 3.428 -0.479) 3.468 28.976 ( 0.223 -2.541 0.376) 2.578 28.984 ( -0.024 -2.503 -0.363) 2.530 54.185 ( 0.480 1.781 4.948) 5.281 54.201 ( -0.274 2.387 3.904) 4.585 54.500 ( 0.087 -12.531 -3.526) 13.018 54.506 ( -0.174 -12.086 -3.831) 12.680 55.201 ( 5.106 5.808 6.625) 10.183 55.320 ( 4.046 3.736 -4.238) 6.949 55.483 ( -8.230 4.487 3.690) 10.074 55.534 ( -5.737 1.292 -1.148) 5.992 56.467 ( 13.369 -0.021 3.541) 13.829 56.567 ( 13.545 -0.673 -6.021) 14.838 57.150 ( -11.226 -0.927 4.057) 11.973 57.251 ( -11.559 -1.547 -5.269) 12.797 ======================= Grid point 241 (80/96) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -16.050 -8.226 9.042) 20.175 2.051 ( 16.050 -8.226 9.042) 20.175 2.243 ( -10.321 -5.745 -7.834) 14.174 2.243 ( 10.321 -5.745 -7.834) 14.174 2.534 ( -10.016 6.571 11.766) 16.791 2.534 ( 10.016 6.571 11.766) 16.791 2.745 ( -9.750 10.164 -7.500) 15.957 2.745 ( 9.750 10.164 -7.500) 15.957 3.337 ( -2.979 3.270 3.416) 5.589 3.337 ( 2.979 3.270 3.416) 5.589 3.543 ( -11.649 3.785 16.830) 20.815 3.543 ( 11.649 3.785 16.830) 20.815 3.957 ( -6.117 -2.169 -15.656) 16.948 3.957 ( 6.117 -2.169 -15.656) 16.948 4.307 ( -2.084 -1.404 -0.256) 2.526 4.307 ( 2.084 -1.404 -0.256) 2.526 4.573 ( -2.179 -1.549 -0.522) 2.724 4.573 ( 2.179 -1.549 -0.522) 2.724 4.781 ( -2.243 1.687 3.516) 4.499 4.781 ( 2.243 1.687 3.516) 4.499 4.989 ( -1.947 -1.918 -7.272) 7.769 4.989 ( 1.947 -1.918 -7.272) 7.769 5.426 ( -1.280 -3.172 -1.073) 3.585 5.426 ( 1.280 -3.172 -1.073) 3.585 12.227 ( -1.918 0.838 -0.079) 2.094 12.227 ( 1.918 0.838 -0.079) 2.094 13.354 ( -2.241 -5.596 -0.047) 6.028 13.354 ( 2.241 -5.596 -0.047) 6.028 14.119 ( -1.451 2.550 0.972) 3.091 14.119 ( 1.451 2.550 0.972) 3.091 14.381 ( -2.176 0.819 -0.392) 2.357 14.381 ( 2.176 0.819 -0.392) 2.357 15.462 ( -2.214 -0.359 0.333) 2.267 15.462 ( 2.214 -0.359 0.333) 2.267 15.796 ( -1.074 -3.329 -0.401) 3.521 15.796 ( 1.074 -3.329 -0.401) 3.521 26.466 ( -0.267 -1.305 -0.267) 1.358 26.466 ( 0.267 -1.305 -0.267) 1.358 27.088 ( -0.339 -5.826 2.472) 6.338 27.088 ( 0.339 -5.826 2.472) 6.338 28.061 ( -0.149 4.184 -0.045) 4.187 28.061 ( 0.149 4.184 -0.045) 4.187 28.400 ( -0.949 0.508 -0.562) 1.214 28.400 ( 0.949 0.508 -0.562) 1.214 28.566 ( -0.209 3.187 -0.122) 3.197 28.566 ( 0.209 3.187 -0.122) 3.197 28.981 ( -0.236 -2.612 -0.038) 2.623 28.981 ( 0.236 -2.612 -0.038) 2.623 54.194 ( -0.444 2.176 4.504) 5.022 54.194 ( 0.444 2.176 4.504) 5.022 54.503 ( -0.159 -12.332 -3.686) 12.872 54.503 ( 0.159 -12.332 -3.686) 12.872 55.317 ( -6.482 9.919 5.108) 12.903 55.317 ( 6.482 9.919 5.108) 12.903 55.428 ( -4.718 -2.198 -2.476) 5.764 55.428 ( 4.718 -2.198 -2.476) 5.764 56.696 ( -5.950 -0.052 0.593) 5.979 56.696 ( 5.950 -0.052 0.593) 5.979 57.042 ( -5.832 -1.819 -2.573) 6.629 57.042 ( 5.832 -1.819 -2.573) 6.629 ======================= Grid point 245 (81/96) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.000 13.890 19.714) 24.116 1.946 ( 0.000 15.670 13.053) 20.394 2.082 ( 0.000 14.755 -12.755) 19.504 2.255 ( 0.000 12.339 -11.504) 16.870 2.818 ( 0.000 -0.892 3.927) 4.027 2.861 ( 0.000 -2.587 1.674) 3.081 2.920 ( 0.000 -7.793 1.860) 8.012 2.966 ( 0.000 2.445 3.903) 4.606 3.053 ( 0.000 -10.678 5.519) 12.020 3.222 ( 0.000 -10.131 -5.851) 11.699 3.351 ( 0.000 0.157 16.994) 16.995 3.659 ( 0.000 3.732 0.353) 3.749 3.861 ( 0.000 -0.244 -7.614) 7.618 3.974 ( 0.000 1.943 -8.134) 8.363 4.254 ( 0.000 3.732 2.551) 4.520 4.314 ( 0.000 5.918 -2.577) 6.455 4.645 ( 0.000 0.492 2.285) 2.338 4.690 ( 0.000 0.591 -1.337) 1.461 4.805 ( 0.000 0.835 6.526) 6.579 4.838 ( 0.000 -4.279 5.336) 6.840 4.982 ( 0.000 -3.051 -8.232) 8.779 4.989 ( 0.000 -6.345 -7.732) 10.002 5.291 ( 0.000 -1.570 -1.189) 1.969 5.322 ( 0.000 -3.809 -3.825) 5.398 12.058 ( 0.000 0.693 5.345) 5.390 12.185 ( 0.000 0.286 -6.455) 6.462 13.273 ( 0.000 -6.732 6.331) 9.241 13.393 ( 0.000 -8.128 -4.873) 9.477 14.023 ( 0.000 3.261 1.849) 3.749 14.067 ( 0.000 2.618 -2.169) 3.399 14.425 ( 0.000 2.091 4.520) 4.980 14.517 ( 0.000 1.550 -3.982) 4.273 15.342 ( 0.000 -1.183 4.062) 4.231 15.434 ( 0.000 -2.373 -4.527) 5.111 15.828 ( 0.000 -3.808 1.277) 4.017 15.854 ( 0.000 -4.269 -1.079) 4.403 26.449 ( 0.000 -1.715 0.217) 1.729 26.459 ( 0.000 -1.379 -0.884) 1.638 26.936 ( 0.000 -9.986 3.521) 10.589 26.972 ( 0.000 -8.413 0.200) 8.416 28.157 ( 0.000 5.916 0.759) 5.964 28.190 ( 0.000 5.974 -2.419) 6.446 28.377 ( 0.000 2.381 3.317) 4.084 28.455 ( 0.000 2.186 -3.951) 4.515 28.608 ( 0.000 2.069 1.390) 2.493 28.641 ( 0.000 2.442 -1.566) 2.901 28.911 ( 0.000 -3.812 0.817) 3.899 28.925 ( 0.000 -3.341 -0.495) 3.377 54.160 ( 0.000 -3.428 4.160) 5.390 54.241 ( 0.000 -2.454 4.494) 5.120 54.296 ( 0.000 -4.175 -7.538) 8.617 54.360 ( 0.000 -2.586 -6.335) 6.843 55.100 ( 0.000 -2.202 4.481) 4.993 55.176 ( 0.000 -4.651 -2.315) 5.196 55.733 ( 0.000 1.909 6.743) 7.008 55.879 ( 0.000 3.116 -6.513) 7.220 56.158 ( 0.000 0.320 1.033) 1.081 56.178 ( 0.000 0.114 -0.796) 0.804 57.399 ( 0.000 -0.917 3.129) 3.261 57.471 ( 0.000 -1.732 -3.504) 3.908 ======================= Grid point 246 (82/96) ======================= q-point: ( 0.17 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.073 12.194 18.708) 22.331 2.000 ( 0.910 10.715 -4.758) 11.759 2.103 ( 6.081 11.991 4.182) 14.081 2.339 ( 4.233 7.086 -10.578) 13.417 2.654 ( -9.905 -2.793 7.010) 12.452 2.769 ( -6.719 -1.003 -2.372) 7.196 2.944 ( 0.826 -1.268 2.267) 2.726 2.966 ( -0.668 0.753 0.252) 1.038 3.175 ( 8.958 -3.849 12.305) 15.700 3.318 ( 3.406 -3.317 3.412) 5.852 3.351 ( 4.277 -2.590 7.229) 8.789 3.677 ( 1.857 2.864 -6.252) 7.123 3.866 ( 1.017 -1.721 -3.344) 3.896 3.982 ( 0.442 1.505 -6.862) 7.039 4.245 ( -1.337 3.858 3.050) 5.096 4.317 ( -0.274 5.114 -2.768) 5.821 4.613 ( -2.713 -0.748 1.861) 3.374 4.652 ( -3.072 -2.079 -1.309) 3.934 4.797 ( -0.568 2.084 6.023) 6.399 4.859 ( 1.393 -3.398 2.909) 4.686 4.946 ( -3.123 -2.517 -6.376) 7.532 4.982 ( -0.751 -5.017 -7.908) 9.395 5.302 ( 1.126 -2.332 -0.764) 2.700 5.337 ( 1.135 -4.253 -3.700) 5.750 12.096 ( 3.627 0.981 4.799) 6.095 12.210 ( 2.282 0.763 -5.791) 6.271 13.249 ( -2.267 -7.278 5.720) 9.531 13.358 ( -3.409 -8.407 -4.491) 10.122 14.052 ( 2.870 3.347 1.952) 4.822 14.097 ( 2.963 2.817 -2.201) 4.643 14.414 ( -1.077 1.980 4.340) 4.890 14.502 ( -1.552 1.513 -3.784) 4.361 15.356 ( 1.468 -1.148 3.836) 4.265 15.444 ( 0.900 -2.207 -4.295) 4.912 15.797 ( -2.970 -4.049 1.414) 5.217 15.826 ( -2.692 -4.467 -1.257) 5.364 26.445 ( -0.294 -1.472 0.219) 1.517 26.456 ( -0.315 -1.309 -0.884) 1.611 26.936 ( 0.027 -9.493 3.389) 10.079 26.969 ( -0.333 -8.307 0.361) 8.321 28.158 ( 0.076 5.987 0.614) 6.019 28.185 ( -0.432 6.108 -2.025) 6.449 28.385 ( 0.773 2.261 2.793) 3.676 28.451 ( -0.388 2.141 -3.295) 3.949 28.611 ( 0.244 2.121 1.096) 2.400 28.638 ( -0.264 2.436 -1.344) 2.795 28.910 ( -0.094 -3.904 0.732) 3.973 28.923 ( -0.135 -3.572 -0.565) 3.619 54.165 ( 0.542 -3.508 4.298) 5.574 54.237 ( -0.480 -2.839 4.509) 5.350 54.301 ( 0.547 -3.709 -7.360) 8.260 54.358 ( -0.251 -2.521 -6.372) 6.857 55.129 ( 2.923 -2.436 4.262) 5.714 55.201 ( 2.401 -4.909 -2.131) 5.866 55.690 ( -3.989 2.412 5.239) 7.013 55.787 ( -7.513 4.385 -3.346) 9.320 56.246 ( 8.598 0.142 2.040) 8.838 56.301 ( 10.773 -0.754 -3.255) 11.279 57.324 ( -7.537 -1.029 3.355) 8.314 57.402 ( -7.058 -1.976 -3.801) 8.257 ======================= Grid point 247 (83/96) ======================= q-point: ( 0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 7.668 5.745 15.475) 18.201 2.039 ( 4.260 5.084 -10.148) 12.123 2.157 ( -5.691 -2.181 5.982) 8.540 2.309 ( -5.385 -1.901 -6.581) 8.713 2.544 ( 0.589 4.943 12.437) 13.396 2.749 ( 3.625 7.914 -0.475) 8.718 2.870 ( -6.436 3.081 1.135) 7.225 2.958 ( -1.210 0.870 -2.009) 2.501 3.358 ( 2.581 1.318 4.694) 5.517 3.368 ( 8.611 1.420 10.991) 14.034 3.451 ( 5.277 4.886 5.587) 9.107 3.761 ( 7.049 -1.546 -12.519) 14.450 3.865 ( -4.341 2.191 3.475) 5.977 3.970 ( -1.322 -0.733 -3.716) 4.012 4.225 ( 0.600 -0.674 -0.099) 0.908 4.288 ( -2.231 1.832 -4.014) 4.944 4.558 ( -2.733 -2.275 1.182) 3.747 4.586 ( -3.749 -3.832 -0.905) 5.437 4.796 ( 0.564 2.785 4.955) 5.712 4.860 ( -2.198 0.255 -0.262) 2.228 4.904 ( 0.497 -3.962 -3.201) 5.118 4.964 ( -1.087 -3.610 -7.945) 8.794 5.329 ( 1.440 -3.411 -0.651) 3.760 5.354 ( 0.441 -4.614 -2.762) 5.396 12.184 ( 4.850 1.763 3.079) 6.009 12.256 ( 1.844 1.867 -3.607) 4.461 13.204 ( -1.782 -8.607 3.590) 9.494 13.275 ( -4.657 -9.091 -3.029) 10.654 14.123 ( 3.990 3.614 1.979) 5.735 14.164 ( 3.165 3.457 -1.741) 5.000 14.390 ( -0.940 1.516 3.197) 3.661 14.458 ( -2.912 1.369 -2.940) 4.358 15.398 ( 2.758 -0.997 2.863) 4.099 15.462 ( 0.668 -1.528 -3.073) 3.496 15.731 ( -3.148 -4.846 1.245) 5.912 15.760 ( -3.650 -4.998 -1.442) 6.355 26.441 ( -0.131 -1.074 0.055) 1.084 26.449 ( -0.434 -1.083 -0.728) 1.376 26.939 ( 0.283 -8.595 2.846) 9.059 26.959 ( -0.602 -8.071 0.946) 8.148 28.160 ( 0.206 6.144 0.208) 6.151 28.175 ( -0.535 6.282 -1.204) 6.419 28.404 ( 1.097 2.082 1.542) 2.814 28.441 ( -0.682 2.060 -1.776) 2.804 28.617 ( 0.358 2.234 0.463) 2.310 28.632 ( -0.379 2.406 -0.827) 2.573 28.909 ( 0.053 -4.126 0.393) 4.145 28.919 ( -0.314 -3.982 -0.513) 4.027 54.180 ( 0.991 -3.640 4.537) 5.901 54.222 ( -0.950 -3.393 4.573) 5.773 54.316 ( 0.906 -2.981 -6.993) 7.656 54.349 ( -0.627 -2.447 -6.483) 6.957 55.206 ( 4.634 -3.533 3.389) 6.741 55.258 ( 2.952 -5.865 -1.233) 6.680 55.601 ( -4.543 3.931 2.857) 6.652 55.636 ( -7.201 6.430 -0.123) 9.655 56.467 ( 13.372 0.030 2.998) 13.704 56.548 ( 13.634 -1.277 -4.687) 14.474 57.125 ( -11.986 -1.532 3.561) 12.597 57.209 ( -12.167 -2.606 -4.241) 13.146 ======================= Grid point 248 (84/96) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( -12.073 -1.420 10.491) 16.057 1.948 ( 12.073 -1.420 10.491) 16.057 2.166 ( -8.015 -0.916 -9.393) 12.382 2.166 ( 8.015 -0.916 -9.393) 12.382 2.665 ( -8.974 6.156 14.150) 17.851 2.665 ( 8.974 6.156 14.150) 17.851 2.895 ( -5.045 4.980 -7.033) 9.985 2.895 ( 5.045 4.980 -7.033) 9.985 3.400 ( -1.496 2.255 2.110) 3.432 3.400 ( 1.496 2.255 2.110) 3.432 3.671 ( -13.167 8.547 11.593) 19.515 3.671 ( 13.167 8.547 11.593) 19.515 3.906 ( -6.209 -2.739 -9.579) 11.739 3.906 ( 6.209 -2.739 -9.579) 11.739 4.257 ( -1.510 -3.258 -3.031) 4.699 4.257 ( 1.510 -3.258 -3.031) 4.699 4.530 ( -0.859 -2.776 0.265) 2.918 4.530 ( 0.859 -2.776 0.265) 2.918 4.817 ( -1.652 1.577 3.225) 3.952 4.817 ( 1.652 1.577 3.225) 3.952 4.935 ( -1.894 -3.282 -6.440) 7.472 4.935 ( 1.894 -3.282 -6.440) 7.472 5.351 ( -0.722 -4.228 -1.461) 4.531 5.351 ( 0.722 -4.228 -1.461) 4.531 12.257 ( -2.081 2.415 -0.045) 3.188 12.257 ( 2.081 2.415 -0.045) 3.188 13.203 ( -2.065 -9.482 0.012) 9.704 13.203 ( 2.065 -9.482 0.012) 9.704 14.184 ( -1.562 3.952 0.758) 4.317 14.184 ( 1.562 3.952 0.758) 4.317 14.401 ( -2.288 1.105 -0.457) 2.582 14.401 ( 2.288 1.105 -0.457) 2.582 15.450 ( -2.099 -0.818 0.267) 2.268 15.450 ( 2.099 -0.818 0.267) 2.268 15.707 ( -1.129 -5.499 -0.507) 5.636 15.707 ( 1.129 -5.499 -0.507) 5.636 26.442 ( -0.235 -0.924 -0.341) 1.012 26.442 ( 0.235 -0.924 -0.341) 1.012 26.947 ( -0.572 -8.066 1.903) 8.307 26.947 ( 0.572 -8.066 1.903) 8.307 28.166 ( -0.393 6.279 -0.410) 6.305 28.166 ( 0.393 6.279 -0.410) 6.305 28.425 ( -0.975 2.022 -0.049) 2.245 28.425 ( 0.975 2.022 -0.049) 2.245 28.624 ( -0.390 2.340 -0.206) 2.381 28.624 ( 0.390 2.340 -0.206) 2.381 28.913 ( -0.280 -4.209 -0.128) 4.221 28.913 ( 0.280 -4.209 -0.128) 4.221 54.201 ( -1.159 -3.645 4.634) 6.009 54.201 ( 1.159 -3.645 4.634) 6.009 54.334 ( -0.920 -2.561 -6.683) 7.216 54.334 ( 0.920 -2.561 -6.683) 7.216 55.280 ( -1.701 -6.230 1.173) 6.564 55.280 ( 1.701 -6.230 1.173) 6.564 55.549 ( -0.568 6.983 1.375) 7.140 55.549 ( 0.568 6.983 1.375) 7.140 56.699 ( -5.483 0.362 0.371) 5.508 56.699 ( 5.483 0.362 0.371) 5.508 56.990 ( -5.482 -3.392 -1.631) 6.649 56.990 ( 5.482 -3.392 -1.631) 6.649 ======================= Grid point 252 (85/96) ======================= q-point: ( 0.00 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 0.000 14.193 18.839) 23.587 2.219 ( 0.000 10.193 5.953) 11.804 2.369 ( 0.000 12.779 -10.622) 16.617 2.448 ( 0.000 4.413 -9.275) 10.272 2.767 ( 0.000 -2.762 6.208) 6.795 2.799 ( 0.000 -3.316 4.140) 5.304 2.866 ( 0.000 0.379 1.094) 1.158 2.872 ( 0.000 0.465 0.051) 0.468 3.037 ( 0.000 -8.012 -1.651) 8.181 3.042 ( 0.000 1.647 -2.611) 3.087 3.410 ( 0.000 6.624 20.698) 21.732 3.742 ( 0.000 5.106 0.445) 5.125 3.860 ( 0.000 0.050 -5.843) 5.844 3.999 ( 0.000 0.184 -8.520) 8.522 4.299 ( 0.000 0.910 3.469) 3.587 4.402 ( 0.000 3.211 -4.823) 5.795 4.610 ( 0.000 -8.371 1.657) 8.533 4.618 ( 0.000 -5.103 0.838) 5.171 4.712 ( 0.000 -6.930 4.373) 8.194 4.850 ( 0.000 -1.281 -4.109) 4.304 4.872 ( 0.000 -1.217 -1.131) 1.661 4.951 ( 0.000 -0.096 -4.445) 4.446 5.260 ( 0.000 -2.160 -1.355) 2.550 5.269 ( 0.000 -0.591 -2.238) 2.315 12.079 ( 0.000 1.378 4.293) 4.508 12.188 ( 0.000 -0.148 -5.850) 5.852 13.143 ( 0.000 -6.231 5.108) 8.057 13.231 ( 0.000 -8.051 -3.239) 8.678 14.083 ( 0.000 2.786 1.069) 2.984 14.111 ( 0.000 1.908 -1.505) 2.430 14.471 ( 0.000 2.547 3.394) 4.243 14.546 ( 0.000 1.331 -3.509) 3.753 15.311 ( 0.000 -1.826 2.588) 3.167 15.378 ( 0.000 -3.317 -3.553) 4.860 15.755 ( 0.000 -3.428 0.848) 3.531 15.771 ( 0.000 -3.970 -0.585) 4.013 26.431 ( 0.000 0.015 0.200) 0.200 26.442 ( 0.000 -0.327 -0.816) 0.879 26.767 ( 0.000 -7.323 3.351) 8.053 26.815 ( 0.000 -7.474 -0.926) 7.532 28.278 ( 0.000 6.329 0.537) 6.351 28.303 ( 0.000 5.542 -1.803) 5.828 28.432 ( 0.000 3.084 3.111) 4.381 28.504 ( 0.000 2.625 -3.535) 4.403 28.629 ( 0.000 0.078 1.193) 1.195 28.660 ( 0.000 -0.492 -1.466) 1.546 28.834 ( 0.000 -3.911 1.016) 4.041 28.854 ( 0.000 -3.702 -0.866) 3.802 54.093 ( 0.000 -2.114 0.393) 2.150 54.138 ( 0.000 -3.785 -2.204) 4.379 54.296 ( 0.000 -0.695 -3.092) 3.169 54.336 ( 0.000 -1.836 -5.723) 6.010 55.067 ( 0.000 -0.035 2.796) 2.796 55.103 ( 0.000 -1.821 -0.486) 1.885 55.721 ( 0.000 -3.183 6.712) 7.428 55.856 ( 0.000 -5.035 -5.512) 7.465 56.165 ( 0.000 0.426 0.901) 0.997 56.180 ( 0.000 0.115 -0.459) 0.473 57.382 ( 0.000 -0.738 2.209) 2.329 57.435 ( 0.000 -1.892 -2.653) 3.258 ======================= Grid point 253 (86/96) ======================= q-point: ( 0.17 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -1.516 15.836 17.388) 23.567 2.199 ( -2.033 6.738 4.232) 8.212 2.309 ( -5.238 10.149 -8.434) 14.198 2.395 ( -5.086 0.297 -8.150) 9.612 2.672 ( -3.035 5.406 9.810) 11.605 2.801 ( 1.251 1.037 0.216) 1.639 2.945 ( 4.037 3.557 1.920) 5.713 2.962 ( 1.204 -2.539 0.658) 2.886 3.086 ( 7.225 -3.065 0.500) 7.864 3.139 ( 9.712 -10.290 -3.601) 14.600 3.468 ( 5.936 9.856 17.121) 20.628 3.739 ( -0.335 3.290 2.811) 4.340 3.843 ( -1.248 -0.687 -5.995) 6.162 3.996 ( 0.365 -0.249 -9.715) 9.725 4.306 ( -0.615 2.310 4.051) 4.704 4.405 ( -0.692 3.591 -3.949) 5.382 4.556 ( -3.790 -6.024 0.898) 7.173 4.570 ( -4.225 -5.775 0.276) 7.161 4.740 ( 2.225 -7.050 2.828) 7.915 4.845 ( -0.794 -2.188 -3.858) 4.506 4.867 ( -0.425 -0.561 -0.222) 0.738 4.943 ( -0.628 0.231 -4.326) 4.377 5.260 ( 0.059 -2.502 -1.269) 2.806 5.270 ( 0.017 -1.773 -2.157) 2.793 12.124 ( 4.423 1.875 3.997) 6.249 12.225 ( 3.551 0.642 -5.396) 6.491 13.105 ( -3.614 -7.018 4.762) 9.219 13.189 ( -4.163 -8.532 -3.131) 9.996 14.115 ( 3.145 2.968 1.219) 4.493 14.147 ( 3.435 2.138 -1.654) 4.371 14.458 ( -1.338 2.440 3.315) 4.328 14.530 ( -1.642 1.289 -3.347) 3.945 15.326 ( 1.584 -1.764 2.491) 3.439 15.390 ( 1.277 -3.170 -3.402) 4.822 15.720 ( -3.471 -3.633 0.976) 5.118 15.739 ( -3.133 -4.205 -0.793) 5.304 26.432 ( 0.112 0.253 0.128) 0.305 26.442 ( -0.014 -0.097 -0.768) 0.774 26.770 ( 0.323 -7.409 3.086) 8.032 26.812 ( -0.284 -7.539 -0.658) 7.573 28.281 ( 0.224 6.417 0.416) 6.434 28.302 ( -0.103 5.752 -1.608) 5.974 28.438 ( 0.625 3.015 2.743) 4.124 28.500 ( -0.379 2.672 -2.909) 3.969 28.633 ( 0.316 0.109 0.887) 0.948 28.658 ( -0.168 -0.390 -1.287) 1.355 28.830 ( -0.348 -4.086 0.872) 4.192 28.849 ( -0.531 -3.913 -0.852) 4.039 54.095 ( 0.245 -2.254 0.436) 2.308 54.135 ( -0.269 -3.717 -1.862) 4.166 54.301 ( 0.435 -0.740 -3.333) 3.442 54.336 ( -0.045 -1.760 -5.617) 5.887 55.091 ( 2.322 -0.290 2.644) 3.530 55.124 ( 2.053 -1.877 -0.435) 2.816 55.689 ( -2.928 -2.625 5.714) 6.936 55.795 ( -5.330 -3.439 -3.775) 7.381 56.249 ( 8.315 0.200 1.479) 8.448 56.283 ( 9.615 -0.956 -1.691) 9.809 57.305 ( -7.787 -0.843 2.361) 8.180 57.361 ( -7.524 -2.113 -2.788) 8.297 ======================= Grid point 254 (87/96) ======================= q-point: ( 0.33 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 1.216 14.262 14.498) 20.373 2.128 ( -5.748 2.278 6.328) 8.847 2.219 ( -2.311 10.451 -8.484) 13.658 2.292 ( -4.814 1.868 -8.101) 9.606 2.673 ( 2.818 6.637 13.383) 15.202 2.848 ( 1.362 1.618 4.877) 5.316 2.907 ( -3.192 0.304 -0.514) 3.247 2.986 ( -0.075 2.221 -1.580) 2.726 3.272 ( 9.482 -6.440 2.297) 11.691 3.340 ( 8.868 -5.386 -3.728) 11.025 3.606 ( 6.633 6.397 7.683) 11.998 3.739 ( 0.363 -0.493 1.980) 2.073 3.835 ( 1.683 -2.071 0.235) 2.679 4.026 ( 1.750 4.010 -8.778) 9.808 4.234 ( -5.806 2.120 3.993) 7.359 4.338 ( -5.888 2.263 -4.010) 7.475 4.497 ( -2.323 -3.926 0.122) 4.564 4.504 ( -2.166 -3.102 -0.105) 3.785 4.781 ( 1.523 -6.130 -0.473) 6.334 4.819 ( -1.525 -3.584 -3.259) 5.079 4.870 ( 1.252 1.711 1.477) 2.584 4.932 ( -0.645 0.669 -3.872) 3.982 5.262 ( 0.123 -3.969 -1.376) 4.203 5.268 ( -0.210 -3.696 -1.799) 4.115 12.233 ( 6.161 3.310 2.855) 7.554 12.303 ( 3.652 2.903 -3.649) 5.922 13.024 ( -3.780 -9.307 3.289) 10.570 13.085 ( -5.823 -9.907 -2.410) 11.742 14.194 ( 4.521 3.497 1.416) 5.888 14.229 ( 4.318 2.990 -1.777) 5.545 14.423 ( -1.901 1.809 2.758) 3.806 14.483 ( -3.209 1.086 -2.694) 4.328 15.373 ( 3.121 -1.489 2.017) 4.003 15.424 ( 1.910 -2.393 -2.687) 4.073 15.636 ( -4.443 -4.489 1.052) 6.403 15.661 ( -4.447 -4.896 -1.192) 6.721 26.435 ( 0.188 0.669 -0.075) 0.699 26.441 ( -0.063 0.409 -0.608) 0.736 26.779 ( 0.565 -7.584 2.321) 7.952 26.804 ( -0.557 -7.656 0.113) 7.677 28.286 ( 0.332 6.556 0.061) 6.564 28.299 ( -0.240 6.192 -1.108) 6.294 28.454 ( 0.995 2.903 1.737) 3.526 28.490 ( -0.666 2.766 -1.431) 3.185 28.640 ( 0.422 0.162 0.271) 0.527 28.654 ( -0.266 -0.139 -0.856) 0.907 28.824 ( -0.214 -4.468 0.420) 4.493 28.836 ( -0.716 -4.363 -0.687) 4.474 54.103 ( 0.533 -2.619 0.362) 2.697 54.127 ( -0.541 -3.484 -1.007) 3.666 54.311 ( 0.631 -0.921 -3.971) 4.125 54.333 ( -0.318 -1.544 -5.288) 5.518 55.148 ( 3.195 -0.984 2.087) 3.941 55.171 ( 2.334 -1.950 -0.037) 3.042 55.627 ( -2.814 -1.639 3.724) 4.947 55.683 ( -5.542 -1.614 -1.249) 5.906 56.468 ( 13.582 0.143 2.116) 13.747 56.521 ( 14.072 -1.425 -2.784) 14.415 57.096 ( -12.988 -1.321 2.594) 13.310 57.156 ( -13.019 -2.724 -2.944) 13.623 ======================= Grid point 255 (88/96) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -5.072 8.009 10.559) 14.190 2.013 ( 5.072 8.009 10.559) 14.190 2.222 ( -2.177 6.493 -8.582) 10.979 2.222 ( 2.177 6.493 -8.582) 10.979 2.763 ( -5.943 3.690 12.670) 14.473 2.763 ( 5.943 3.690 12.670) 14.473 2.948 ( -3.395 0.808 -3.997) 5.306 2.948 ( 3.395 0.808 -3.997) 5.306 3.403 ( -2.855 -2.076 1.112) 3.701 3.403 ( 2.855 -2.076 1.112) 3.701 3.705 ( -4.008 -7.785 -2.396) 9.078 3.705 ( 4.008 -7.785 -2.396) 9.078 3.955 ( -8.519 9.114 5.925) 13.811 3.955 ( 8.519 9.114 5.925) 13.811 4.220 ( -4.913 0.072 -5.659) 7.495 4.220 ( 4.913 0.072 -5.659) 7.495 4.476 ( -0.341 -2.144 0.288) 2.190 4.476 ( 0.341 -2.144 0.288) 2.190 4.798 ( -0.692 -4.225 -1.459) 4.523 4.798 ( 0.692 -4.225 -1.459) 4.523 4.908 ( -1.942 1.402 -1.595) 2.878 4.908 ( 1.942 1.402 -1.595) 2.878 5.264 ( -0.128 -4.784 -1.535) 5.025 5.264 ( 0.128 -4.784 -1.535) 5.025 12.324 ( -2.179 4.583 -0.037) 5.074 12.324 ( 2.179 4.583 -0.037) 5.074 13.000 ( -1.934 -11.078 0.045) 11.245 13.000 ( 1.934 -11.078 0.045) 11.245 14.265 ( -1.699 4.181 0.388) 4.529 14.265 ( 1.699 4.181 0.388) 4.529 14.419 ( -2.378 0.654 -0.491) 2.514 14.419 ( 2.378 0.654 -0.491) 2.514 15.432 ( -1.990 -0.973 0.142) 2.220 15.432 ( 1.990 -0.973 0.142) 2.220 15.594 ( -1.251 -5.793 -0.574) 5.955 15.594 ( 1.251 -5.793 -0.574) 5.955 26.439 ( -0.152 0.767 -0.352) 0.858 26.439 ( 0.152 0.767 -0.352) 0.858 26.791 ( -0.668 -7.692 1.218) 7.817 26.791 ( 0.668 -7.692 1.218) 7.817 28.293 ( -0.332 6.513 -0.488) 6.540 28.293 ( 0.332 6.513 -0.488) 6.540 28.474 ( -0.944 2.838 0.265) 3.002 28.474 ( 0.944 2.838 0.265) 3.002 28.648 ( -0.355 0.101 -0.325) 0.491 28.648 ( 0.355 0.101 -0.325) 0.491 28.825 ( -0.349 -4.642 -0.215) 4.660 28.825 ( 0.349 -4.642 -0.215) 4.660 54.115 ( -0.669 -3.081 -0.124) 3.155 54.115 ( 0.669 -3.081 -0.124) 3.155 54.324 ( -0.582 -1.230 -4.715) 4.908 54.324 ( 0.582 -1.230 -4.715) 4.908 55.192 ( -0.692 -1.753 1.008) 2.137 55.192 ( 0.692 -1.753 1.008) 2.137 55.608 ( -1.480 -0.966 1.301) 2.195 55.608 ( 1.480 -0.966 1.301) 2.195 56.712 ( -5.002 1.062 0.207) 5.118 56.712 ( 5.002 1.062 0.207) 5.118 56.916 ( -5.163 -3.995 -0.765) 6.573 56.916 ( 5.163 -3.995 -0.765) 6.573 ======================= Grid point 259 (89/96) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 0.000 7.478 15.243) 16.979 2.288 ( 0.000 -1.501 5.542) 5.742 2.425 ( 0.000 -2.205 -6.893) 7.237 2.501 ( 0.000 1.000 -11.098) 11.143 2.756 ( 0.000 -0.188 7.252) 7.254 2.809 ( 0.000 1.636 4.212) 4.519 2.918 ( 0.000 4.246 4.878) 6.467 2.965 ( 0.000 3.918 2.863) 4.852 3.003 ( 0.000 8.172 -2.100) 8.438 3.044 ( 0.000 -1.105 -3.084) 3.276 3.595 ( 0.000 11.191 13.820) 17.783 3.849 ( 0.000 -1.611 0.585) 1.714 3.869 ( 0.000 7.641 -6.428) 9.985 3.980 ( 0.000 -1.548 -7.388) 7.548 4.290 ( 0.000 -2.721 5.861) 6.462 4.418 ( 0.000 -7.227 -2.039) 7.509 4.429 ( 0.000 -7.167 1.452) 7.312 4.465 ( 0.000 -3.511 -2.381) 4.242 4.608 ( 0.000 -3.371 0.685) 3.440 4.735 ( 0.000 -6.334 -8.730) 10.786 4.928 ( 0.000 2.497 1.504) 2.915 4.961 ( 0.000 0.483 -1.582) 1.654 5.245 ( 0.000 0.447 0.193) 0.487 5.265 ( 0.000 0.011 -1.752) 1.752 12.111 ( 0.000 1.861 2.169) 2.858 12.176 ( 0.000 -1.065 -3.927) 4.069 13.048 ( 0.000 -3.115 3.332) 4.561 13.096 ( 0.000 -5.424 -1.254) 5.567 14.127 ( 0.000 1.627 0.261) 1.648 14.139 ( 0.000 0.903 -0.850) 1.240 14.519 ( 0.000 2.322 1.636) 2.840 14.564 ( 0.000 0.319 -2.355) 2.376 15.279 ( 0.000 -1.174 0.884) 1.470 15.314 ( 0.000 -2.897 -2.355) 3.733 15.702 ( 0.000 -1.915 0.511) 1.982 15.708 ( 0.000 -2.298 -0.062) 2.299 26.447 ( 0.000 1.348 -0.171) 1.359 26.448 ( 0.000 0.874 -0.282) 0.918 26.653 ( 0.000 -4.229 2.208) 4.771 26.688 ( 0.000 -5.382 -0.884) 5.454 28.394 ( 0.000 5.193 0.056) 5.193 28.400 ( 0.000 4.268 -0.647) 4.317 28.491 ( 0.000 2.886 2.453) 3.788 28.550 ( 0.000 1.874 -2.961) 3.504 28.615 ( 0.000 -1.286 0.219) 1.304 28.627 ( 0.000 -2.634 -0.639) 2.711 28.768 ( 0.000 -2.593 0.785) 2.709 28.787 ( 0.000 -3.048 -0.899) 3.178 54.090 ( 0.000 1.734 -1.743) 2.459 54.112 ( 0.000 1.026 -3.083) 3.249 54.243 ( 0.000 -4.312 -3.186) 5.361 54.266 ( 0.000 -4.945 -4.790) 6.884 55.112 ( 0.000 4.010 1.425) 4.255 55.118 ( 0.000 2.885 0.725) 2.974 55.631 ( 0.000 -4.937 4.038) 6.378 55.715 ( 0.000 -8.321 -3.459) 9.012 56.173 ( 0.000 0.379 0.664) 0.764 56.181 ( 0.000 -0.008 -0.066) 0.066 57.373 ( 0.000 -0.105 1.025) 1.030 57.401 ( 0.000 -1.493 -1.550) 2.152 ======================= Grid point 260 (90/96) ======================= q-point: ( 0.17 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 0.613 7.521 11.939) 14.123 2.276 ( -1.203 3.607 8.135) 8.980 2.384 ( -2.630 2.014 -6.700) 7.474 2.495 ( -0.882 3.694 -8.146) 8.988 2.780 ( -0.279 1.147 6.851) 6.952 2.838 ( 0.471 7.504 4.561) 8.794 2.915 ( -0.940 0.551 5.058) 5.174 2.953 ( 5.358 -7.113 3.095) 9.428 3.037 ( 1.376 0.457 -1.909) 2.397 3.066 ( 3.105 1.667 -5.195) 6.278 3.684 ( 7.245 10.520 10.355) 16.443 3.768 ( -7.241 -0.885 6.599) 9.837 3.850 ( -2.279 1.603 -5.314) 6.000 3.994 ( 3.004 1.040 -11.286) 11.726 4.327 ( 1.469 -1.690 4.328) 4.873 4.378 ( -2.890 -7.032 0.605) 7.627 4.434 ( -0.581 -5.152 0.445) 5.203 4.495 ( 3.011 1.318 -3.931) 5.124 4.616 ( 1.133 -5.031 1.126) 5.279 4.731 ( -0.369 -6.213 -7.839) 10.009 4.919 ( -0.670 2.508 1.450) 2.973 4.954 ( -0.411 0.474 -1.891) 1.993 5.228 ( -1.697 -0.489 0.150) 1.772 5.248 ( -1.726 -0.828 -1.754) 2.596 12.166 ( 5.474 2.325 2.145) 6.322 12.229 ( 5.195 -0.378 -3.718) 6.399 12.996 ( -5.191 -3.736 3.194) 7.148 13.044 ( -5.219 -5.917 -1.382) 8.010 14.163 ( 3.539 1.823 0.396) 4.000 14.178 ( 3.803 1.003 -0.965) 4.050 14.504 ( -1.570 2.239 1.604) 3.170 14.547 ( -1.723 0.300 -2.257) 2.855 15.295 ( 1.695 -1.148 0.879) 2.228 15.329 ( 1.548 -2.809 -2.239) 3.912 15.664 ( -3.781 -1.988 0.552) 4.308 15.672 ( -3.559 -2.476 -0.231) 4.342 26.453 ( 0.564 1.416 -0.203) 1.538 26.454 ( 0.595 1.507 -0.243) 1.638 26.651 ( -0.161 -4.644 2.044) 5.076 26.682 ( -0.546 -5.595 -0.725) 5.668 28.398 ( 0.422 5.367 -0.024) 5.383 28.404 ( 0.304 4.500 -0.596) 4.549 28.495 ( 0.420 2.651 2.253) 3.504 28.547 ( -0.321 1.817 -2.432) 3.053 28.620 ( 0.424 -1.184 -0.009) 1.258 28.628 ( 0.172 -2.336 -0.611) 2.421 28.760 ( -0.789 -2.867 0.698) 3.055 28.778 ( -0.918 -3.242 -0.881) 3.483 54.091 ( 0.088 1.718 -1.709) 2.425 54.111 ( -0.153 1.082 -2.917) 3.115 54.246 ( 0.301 -4.404 -3.319) 5.523 54.267 ( 0.011 -4.963 -4.709) 6.842 55.133 ( 2.098 3.957 1.459) 4.710 55.142 ( 2.311 3.265 0.510) 4.032 55.605 ( -2.513 -4.981 3.639) 6.661 55.677 ( -3.644 -7.614 -2.770) 8.884 56.254 ( 8.108 0.295 0.864) 8.159 56.268 ( 8.633 -0.528 -0.463) 8.662 57.294 ( -7.957 -0.151 1.107) 8.035 57.323 ( -7.858 -1.613 -1.577) 8.175 ======================= Grid point 261 (91/96) ======================= q-point: ( 0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.424 8.977 7.038) 11.415 2.253 ( -0.835 12.795 11.299) 17.091 2.357 ( 0.078 6.658 -5.535) 8.659 2.456 ( -3.100 9.082 -6.451) 11.563 2.758 ( -0.162 1.603 8.133) 8.292 2.856 ( 1.440 0.751 5.806) 6.029 2.875 ( -2.992 -3.156 3.734) 5.732 2.993 ( -2.116 -3.400 -0.987) 4.125 3.145 ( 9.106 -4.589 1.507) 10.307 3.221 ( 11.988 -5.862 -5.566) 14.459 3.586 ( -9.854 -3.755 5.956) 12.110 3.697 ( -8.046 -5.767 -3.704) 10.570 3.923 ( 10.380 9.346 6.876) 15.568 4.101 ( 6.819 3.092 -8.742) 11.510 4.275 ( -5.860 0.727 2.833) 6.550 4.315 ( -3.515 -4.073 -0.675) 5.422 4.451 ( 1.398 1.001 1.569) 2.328 4.520 ( -0.833 3.969 -3.876) 5.610 4.657 ( 2.470 -6.465 -0.123) 6.922 4.720 ( -0.898 -5.534 -5.394) 7.780 4.922 ( 1.409 2.822 1.240) 3.389 4.958 ( 0.816 1.403 -2.082) 2.640 5.185 ( -2.425 -3.302 -0.117) 4.099 5.203 ( -2.729 -3.202 -1.760) 4.560 12.307 ( 8.437 4.053 1.907) 9.552 12.359 ( 7.356 2.367 -2.922) 8.262 12.865 ( -7.421 -6.327 2.609) 10.095 12.908 ( -8.105 -7.725 -1.498) 11.297 14.252 ( 5.302 2.396 0.642) 5.854 14.274 ( 5.561 1.460 -1.255) 5.885 14.458 ( -3.092 1.756 1.459) 3.843 14.496 ( -3.568 0.154 -1.908) 4.049 15.346 ( 3.572 -0.982 0.810) 3.792 15.375 ( 3.158 -2.349 -1.853) 4.350 15.568 ( -5.626 -2.359 0.613) 6.131 15.581 ( -5.352 -3.024 -0.656) 6.182 26.466 ( 0.635 2.110 -0.149) 2.209 26.467 ( 0.639 2.471 -0.263) 2.566 26.649 ( 0.001 -5.650 1.506) 5.847 26.668 ( -0.828 -6.100 -0.219) 6.159 28.407 ( 0.427 5.681 -0.190) 5.700 28.410 ( 0.286 5.085 -0.475) 5.115 28.507 ( 0.771 2.070 1.570) 2.710 28.538 ( -0.627 1.623 -1.147) 2.084 28.630 ( 0.574 -0.789 -0.355) 1.038 28.634 ( 0.343 -1.399 -0.567) 1.548 28.742 ( -0.808 -3.680 0.365) 3.786 28.755 ( -1.248 -3.799 -0.746) 4.068 54.094 ( 0.241 1.627 -1.732) 2.388 54.106 ( -0.295 1.236 -2.475) 2.782 54.253 ( 0.390 -4.616 -3.684) 5.919 54.265 ( -0.154 -4.952 -4.486) 6.683 55.187 ( 3.063 4.417 1.332) 5.537 55.197 ( 2.922 4.230 0.266) 5.148 55.548 ( -2.836 -5.711 2.625) 6.895 55.591 ( -4.630 -6.905 -1.280) 8.412 56.473 ( 13.868 0.342 1.140) 13.919 56.497 ( 14.264 -0.984 -1.075) 14.338 57.079 ( -13.705 -0.385 1.269) 13.769 57.109 ( -13.695 -1.945 -1.564) 13.921 ======================= Grid point 262 (92/96) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.235 ( -0.957 13.645 8.803) 16.266 2.235 ( 0.957 13.645 8.803) 16.266 2.391 ( -3.068 9.353 -5.577) 11.314 2.391 ( 3.068 9.353 -5.577) 11.314 2.793 ( -3.524 -0.720 9.310) 9.981 2.793 ( 3.524 -0.720 9.310) 9.981 2.925 ( -4.060 -3.778 -1.860) 5.850 2.925 ( 4.060 -3.778 -1.860) 5.850 3.337 ( -8.168 -3.178 3.489) 9.433 3.337 ( 8.168 -3.178 3.489) 9.433 3.506 ( -9.180 -10.357 -4.044) 14.418 3.506 ( 9.180 -10.357 -4.044) 14.418 4.120 ( -8.885 6.448 4.987) 12.058 4.120 ( 8.885 6.448 4.987) 12.058 4.233 ( -5.097 0.014 -4.189) 6.598 4.233 ( 5.097 0.014 -4.189) 6.598 4.483 ( -2.155 3.402 -1.022) 4.155 4.483 ( 2.155 3.402 -1.022) 4.155 4.695 ( -1.582 -5.699 -2.889) 6.582 4.695 ( 1.582 -5.699 -2.889) 6.582 4.960 ( -1.381 3.644 -0.235) 3.904 4.960 ( 1.381 3.644 -0.235) 3.904 5.162 ( -0.729 -5.728 -1.219) 5.901 5.162 ( 0.729 -5.728 -1.219) 5.901 12.436 ( -2.147 6.892 -0.023) 7.219 12.436 ( 2.147 6.892 -0.023) 7.219 12.785 ( -1.927 -10.690 0.038) 10.862 12.785 ( 1.927 -10.690 0.038) 10.862 14.341 ( -1.902 3.502 -0.026) 3.986 14.341 ( 1.902 3.502 -0.026) 3.986 14.422 ( -2.344 -0.514 -0.466) 2.444 14.422 ( 2.344 -0.514 -0.466) 2.444 15.419 ( -1.886 -0.162 -0.052) 1.893 15.419 ( 1.886 -0.162 -0.052) 1.893 15.494 ( -1.464 -4.275 -0.505) 4.547 15.494 ( 1.464 -4.275 -0.505) 4.547 26.473 ( -0.058 2.793 -0.188) 2.800 26.473 ( 0.058 2.793 -0.188) 2.800 26.654 ( -0.545 -6.340 0.627) 6.394 26.654 ( 0.545 -6.340 0.627) 6.394 28.412 ( -0.062 5.627 -0.339) 5.638 28.412 ( 0.062 5.627 -0.339) 5.638 28.523 ( -0.839 1.610 0.348) 1.849 28.523 ( 0.839 1.610 0.348) 1.849 28.637 ( -0.085 -0.520 -0.492) 0.721 28.637 ( 0.085 -0.520 -0.492) 0.721 28.737 ( -0.395 -4.301 -0.275) 4.327 28.737 ( 0.395 -4.301 -0.275) 4.327 54.100 ( -0.341 1.443 -1.994) 2.485 54.100 ( 0.341 1.443 -1.994) 2.485 54.261 ( -0.328 -4.829 -4.129) 6.362 54.261 ( 0.328 -4.829 -4.129) 6.362 55.228 ( -0.436 5.202 0.720) 5.270 55.228 ( 0.436 5.202 0.720) 5.270 55.526 ( -1.288 -6.909 0.770) 7.070 55.526 ( 1.288 -6.909 0.770) 7.070 56.740 ( -4.706 1.812 0.105) 5.044 56.740 ( 4.706 1.812 0.105) 5.044 56.842 ( -4.875 -3.471 -0.249) 5.990 56.842 ( 4.875 -3.471 -0.249) 5.990 ======================= Grid point 266 (93/96) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.000 -0.661 7.823) 7.851 2.257 ( 0.000 0.661 7.823) 7.851 2.461 ( 0.000 -3.860 -7.141) 8.118 2.461 ( 0.000 3.860 -7.141) 8.118 2.779 ( 0.000 -2.246 9.544) 9.804 2.779 ( 0.000 2.246 9.544) 9.804 2.999 ( 0.000 -3.516 -1.219) 3.721 2.999 ( 0.000 3.516 -1.219) 3.721 3.076 ( 0.000 -2.195 0.582) 2.271 3.076 ( 0.000 2.195 0.582) 2.271 3.779 ( 0.000 -6.199 7.006) 9.355 3.779 ( 0.000 6.199 7.006) 9.355 3.974 ( 0.000 -0.399 -9.807) 9.815 3.974 ( 0.000 0.399 -9.807) 9.815 4.241 ( 0.000 -4.398 4.868) 6.560 4.241 ( 0.000 4.398 4.868) 6.560 4.415 ( 0.000 -3.128 1.441) 3.444 4.415 ( 0.000 3.128 1.441) 3.444 4.625 ( 0.000 -4.392 -7.488) 8.681 4.625 ( 0.000 4.392 -7.488) 8.681 4.959 ( 0.000 -0.747 0.091) 0.752 4.959 ( 0.000 0.747 0.091) 0.752 5.260 ( 0.000 -0.667 -0.393) 0.774 5.260 ( 0.000 0.667 -0.393) 0.774 12.147 ( 0.000 -1.799 -0.880) 2.003 12.147 ( 0.000 1.799 -0.880) 2.003 13.030 ( 0.000 -1.284 1.048) 1.657 13.030 ( 0.000 1.284 1.048) 1.657 14.145 ( 0.000 -0.292 -0.334) 0.443 14.145 ( 0.000 0.292 -0.334) 0.443 14.555 ( 0.000 -1.201 -0.473) 1.291 14.555 ( 0.000 1.201 -0.473) 1.291 15.275 ( 0.000 -0.931 -0.852) 1.262 15.275 ( 0.000 0.931 -0.852) 1.262 15.684 ( 0.000 -0.130 0.274) 0.304 15.684 ( 0.000 0.130 0.274) 0.304 26.464 ( 0.000 -0.174 -0.059) 0.184 26.464 ( 0.000 0.174 -0.059) 0.184 26.619 ( 0.000 -1.139 0.351) 1.192 26.619 ( 0.000 1.139 0.351) 1.192 28.452 ( 0.000 -0.165 0.216) 0.272 28.452 ( 0.000 0.165 0.216) 0.272 28.545 ( 0.000 -2.700 -0.137) 2.704 28.545 ( 0.000 2.700 -0.137) 2.704 28.595 ( 0.000 -0.343 -0.692) 0.772 28.595 ( 0.000 0.343 -0.692) 0.772 28.747 ( 0.000 -0.664 -0.190) 0.690 28.747 ( 0.000 0.664 -0.190) 0.690 54.151 ( 0.000 -3.709 -3.591) 5.162 54.151 ( 0.000 3.709 -3.591) 5.162 54.170 ( 0.000 -3.768 -2.970) 4.798 54.170 ( 0.000 3.768 -2.970) 4.798 55.165 ( 0.000 -0.182 1.185) 1.199 55.165 ( 0.000 0.182 1.185) 1.199 55.592 ( 0.000 -2.520 -0.206) 2.528 55.592 ( 0.000 2.520 -0.206) 2.528 56.179 ( 0.000 -0.207 0.327) 0.387 56.179 ( 0.000 0.207 0.327) 0.387 57.379 ( 0.000 -0.736 -0.281) 0.788 57.379 ( 0.000 0.736 -0.281) 0.788 ======================= Grid point 268 (94/96) ======================= q-point: ( 0.17 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 3.257 -2.235 7.288) 8.290 2.290 ( 3.257 2.235 7.288) 8.290 2.465 ( 0.569 -4.386 -4.923) 6.618 2.465 ( 0.569 4.386 -4.923) 6.618 2.828 ( 3.752 -4.216 8.974) 10.602 2.828 ( 3.752 4.216 8.974) 10.602 2.957 ( -4.348 -3.099 1.238) 5.481 2.957 ( -4.348 3.099 1.238) 5.481 3.052 ( -0.667 -3.973 -2.893) 4.960 3.052 ( -0.667 3.973 -2.893) 4.960 3.758 ( -5.218 -0.745 4.889) 7.189 3.758 ( -5.218 0.745 4.889) 7.189 3.964 ( 3.010 -7.135 -5.181) 9.317 3.964 ( 3.010 7.135 -5.181) 9.317 4.273 ( 1.208 -2.398 0.861) 2.819 4.273 ( 1.208 2.398 0.861) 2.819 4.454 ( 3.945 -4.364 3.067) 6.634 4.454 ( 3.945 4.364 3.067) 6.634 4.621 ( -0.260 -4.597 -7.380) 8.699 4.621 ( -0.260 4.597 -7.380) 8.699 4.952 ( -0.443 -0.842 -0.124) 0.960 4.952 ( -0.443 0.842 -0.124) 0.960 5.233 ( -2.731 -0.694 -0.431) 2.850 5.233 ( -2.731 0.694 -0.431) 2.850 12.207 ( 6.021 -1.763 -0.764) 6.321 12.207 ( 6.021 1.763 -0.764) 6.321 12.971 ( -5.873 -1.323 0.889) 6.085 12.971 ( -5.873 1.323 0.889) 6.085 14.184 ( 3.830 -0.377 -0.311) 3.861 14.184 ( 3.830 0.377 -0.311) 3.861 14.539 ( -1.712 -1.162 -0.455) 2.119 14.539 ( -1.712 1.162 -0.455) 2.119 15.291 ( 1.688 -0.893 -0.783) 2.064 15.291 ( 1.688 0.893 -0.783) 2.064 15.646 ( -3.801 -0.193 0.202) 3.811 15.646 ( -3.801 0.193 0.202) 3.811 26.475 ( 1.165 -0.250 -0.030) 1.192 26.475 ( 1.165 0.250 -0.030) 1.192 26.610 ( -0.911 -1.088 0.325) 1.456 26.610 ( -0.911 1.088 0.325) 1.456 28.459 ( 0.775 -0.265 0.195) 0.842 28.459 ( 0.775 0.265 0.195) 0.842 28.541 ( -0.502 -2.315 -0.178) 2.375 28.541 ( -0.502 2.315 -0.178) 2.375 28.603 ( 0.804 -0.226 -0.599) 1.028 28.603 ( 0.804 0.226 -0.599) 1.028 28.735 ( -1.198 -0.660 -0.212) 1.384 28.735 ( -1.198 0.660 -0.212) 1.384 54.153 ( 0.141 -3.697 -3.558) 5.132 54.153 ( 0.141 3.697 -3.558) 5.132 54.170 ( -0.055 -3.731 -2.948) 4.756 54.170 ( -0.055 3.731 -2.948) 4.756 55.191 ( 2.644 -0.386 1.072) 2.879 55.191 ( 2.644 0.386 1.072) 2.879 55.561 ( -3.124 -2.267 -0.095) 3.861 55.561 ( -3.124 2.267 -0.095) 3.861 56.260 ( 8.167 -0.344 0.277) 8.179 56.260 ( 8.167 0.344 0.277) 8.179 57.300 ( -7.990 -0.762 -0.249) 8.030 57.300 ( -7.990 0.762 -0.249) 8.030 ======================= Grid point 270 (95/96) ======================= q-point: ( 0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 5.005 -3.089 5.866) 8.307 2.374 ( 5.005 3.089 5.866) 8.307 2.481 ( 0.610 -4.160 -0.811) 4.282 2.481 ( 0.610 4.160 -0.811) 4.282 2.844 ( -2.612 -4.485 5.162) 7.320 2.844 ( -2.612 4.485 5.162) 7.320 2.859 ( -4.326 -3.699 2.142) 6.082 2.859 ( -4.326 3.699 2.142) 6.082 3.133 ( 9.091 -2.792 -2.124) 9.745 3.133 ( 9.091 2.792 -2.124) 9.745 3.583 ( -11.246 -4.049 1.145) 12.007 3.583 ( -11.246 4.049 1.145) 12.007 4.084 ( 7.317 -5.780 -0.138) 9.326 4.084 ( 7.317 5.780 -0.138) 9.326 4.266 ( -1.708 -0.201 -0.646) 1.837 4.266 ( -1.708 0.201 -0.646) 1.837 4.531 ( 3.148 -5.930 1.652) 6.914 4.531 ( 3.148 5.931 1.652) 6.914 4.615 ( -0.690 -5.119 -5.546) 7.579 4.615 ( -0.690 5.119 -5.546) 7.579 4.965 ( 2.467 -1.115 -0.614) 2.776 4.965 ( 2.467 1.115 -0.614) 2.776 5.157 ( -5.000 -0.826 -0.546) 5.097 5.157 ( -5.000 0.826 -0.546) 5.097 12.370 ( 10.386 -1.668 -0.444) 10.529 12.370 ( 10.386 1.668 -0.444) 10.529 12.812 ( -10.233 -1.420 0.493) 10.343 12.812 ( -10.233 1.420 0.493) 10.343 14.282 ( 5.886 -0.579 -0.291) 5.922 14.282 ( 5.886 0.579 -0.291) 5.922 14.487 ( -3.686 -1.038 -0.401) 3.850 14.487 ( -3.686 1.038 -0.401) 3.850 15.343 ( 3.685 -0.771 -0.586) 3.810 15.343 ( 3.685 0.771 -0.586) 3.810 15.548 ( -5.881 -0.354 -0.004) 5.891 15.548 ( -5.881 0.354 -0.004) 5.891 26.506 ( 1.939 -0.449 0.049) 1.991 26.506 ( 1.939 0.449 0.049) 1.991 26.584 ( -1.688 -0.935 0.255) 1.946 26.584 ( -1.688 0.935 0.255) 1.946 28.479 ( 1.229 -0.552 0.119) 1.353 28.479 ( 1.229 0.552 0.119) 1.353 28.526 ( -0.965 -1.607 -0.153) 1.881 28.526 ( -0.965 1.607 -0.153) 1.881 28.626 ( 1.594 -0.340 -0.465) 1.695 28.626 ( 1.594 0.340 -0.465) 1.695 28.703 ( -1.978 -0.632 -0.274) 2.095 28.703 ( -1.978 0.632 -0.274) 2.095 54.157 ( 0.258 -3.666 -3.412) 5.015 54.157 ( 0.258 3.666 -3.412) 5.014 54.167 ( -0.202 -3.669 -2.991) 4.738 54.167 ( -0.202 3.669 -2.991) 4.738 55.264 ( 4.769 -0.724 0.806) 4.891 55.264 ( 4.769 0.724 0.806) 4.891 55.478 ( -5.226 -1.718 0.171) 5.504 55.478 ( -5.226 1.718 0.171) 5.504 56.482 ( 14.120 -0.587 0.149) 14.133 56.482 ( 14.120 0.587 0.149) 14.133 57.083 ( -13.935 -0.795 -0.154) 13.958 57.083 ( -13.935 0.795 -0.154) 13.958 ======================= Grid point 272 (96/96) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -1.931 -5.743 3.375) 6.935 2.461 ( 0.550 -5.668 3.375) 6.619 2.461 ( -0.550 5.668 3.375) 6.619 2.461 ( 1.931 5.743 3.375) 6.935 2.808 ( -0.660 -5.294 2.303) 5.811 2.808 ( 0.657 -5.294 2.303) 5.811 2.808 ( -0.657 5.294 2.303) 5.811 2.808 ( 0.660 5.294 2.303) 5.811 3.350 ( -11.861 -4.682 -0.161) 12.753 3.350 ( -7.301 0.272 -0.161) 7.307 3.350 ( 7.301 -0.272 -0.161) 7.307 3.350 ( 11.861 4.682 -0.161) 12.753 4.205 ( -4.665 -2.728 0.237) 5.410 4.205 ( 2.140 -1.774 0.237) 2.790 4.205 ( -2.140 1.774 0.237) 2.790 4.205 ( 4.665 2.728 0.237) 5.410 4.583 ( -2.418 -5.837 -2.239) 6.703 4.583 ( 2.415 -5.836 -2.239) 6.701 4.583 ( -2.415 5.836 -2.239) 6.701 4.583 ( 2.418 5.837 -2.239) 6.703 5.050 ( -3.316 -4.948 -0.703) 5.997 5.050 ( -1.720 -4.740 -0.703) 5.091 5.050 ( 1.720 4.740 -0.703) 5.091 5.050 ( 3.316 4.948 -0.703) 5.997 12.592 ( -7.659 -7.829 0.008) 10.952 12.592 ( -5.276 -7.320 0.008) 9.023 12.592 ( 5.276 7.320 0.008) 9.023 12.592 ( 7.659 7.829 0.008) 10.952 14.396 ( -4.848 -1.654 -0.329) 5.133 14.396 ( -3.887 -0.798 -0.329) 3.982 14.396 ( 3.887 0.798 -0.329) 3.982 14.396 ( 4.848 1.654 -0.329) 5.133 15.434 ( -4.907 -1.320 -0.297) 5.090 15.434 ( -4.334 -0.647 -0.297) 4.392 15.434 ( 4.334 0.647 -0.297) 4.392 15.434 ( 4.907 1.320 -0.297) 5.090 26.546 ( -0.746 -4.571 0.154) 4.634 26.546 ( -0.158 -4.556 0.154) 4.561 26.546 ( 0.158 4.556 0.154) 4.561 26.546 ( 0.746 4.571 0.154) 4.634 28.504 ( -0.555 -3.405 -0.020) 3.450 28.504 ( 0.142 -3.394 -0.020) 3.397 28.504 ( -0.142 3.394 -0.020) 3.397 28.504 ( 0.555 3.405 -0.020) 3.450 28.663 ( -0.968 -2.929 -0.362) 3.106 28.663 ( -0.346 -2.894 -0.362) 2.937 28.663 ( 0.346 2.894 -0.362) 2.937 28.663 ( 0.968 2.929 -0.362) 3.106 54.162 ( -0.239 -4.614 -3.178) 5.608 54.162 ( 0.232 -4.614 -3.178) 5.607 54.162 ( -0.232 4.614 -3.178) 5.607 54.162 ( 0.239 4.614 -3.178) 5.608 55.368 ( -2.511 -8.041 0.490) 8.438 55.368 ( -1.163 -7.963 0.490) 8.063 55.368 ( 1.163 7.963 0.490) 8.063 55.368 ( 2.511 8.041 0.490) 8.438 56.783 ( -15.612 -1.399 -0.011) 15.674 56.783 ( -15.360 -0.088 -0.011) 15.360 56.783 ( 15.360 0.088 -0.011) 15.360 56.783 ( 15.612 1.399 -0.011) 15.674 =================== 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 3/25200 10.0 363.626 380.108 343.153 0.000 0.000 -0.000 3/25200 20.0 97.408 75.452 77.354 0.000 0.000 -0.000 3/25200 30.0 39.606 32.731 32.581 0.000 0.000 -0.000 3/25200 40.0 22.613 19.357 18.434 0.000 0.000 -0.000 3/25200 50.0 15.672 13.706 12.545 0.000 0.000 -0.000 3/25200 60.0 12.085 10.728 9.516 0.000 0.000 -0.000 3/25200 70.0 9.909 8.894 7.702 0.000 0.000 -0.000 3/25200 80.0 8.436 7.635 6.493 0.000 0.000 -0.000 3/25200 90.0 7.362 6.706 5.624 0.000 0.000 -0.000 3/25200 100.0 6.537 5.985 4.965 0.000 0.000 -0.000 3/25200 110.0 5.880 5.405 4.445 0.000 0.000 -0.000 3/25200 120.0 5.342 4.926 4.024 0.000 0.000 -0.000 3/25200 130.0 4.892 4.524 3.675 0.000 0.000 -0.000 3/25200 140.0 4.511 4.180 3.381 0.000 0.000 -0.000 3/25200 150.0 4.183 3.884 3.129 0.000 0.000 -0.000 3/25200 160.0 3.899 3.625 2.912 0.000 0.000 -0.000 3/25200 170.0 3.650 3.398 2.723 0.000 0.000 -0.000 3/25200 180.0 3.430 3.197 2.556 0.000 0.000 -0.000 3/25200 190.0 3.235 3.019 2.409 0.000 0.000 0.000 3/25200 200.0 3.061 2.859 2.277 0.000 0.000 0.000 3/25200 210.0 2.904 2.715 2.160 0.000 0.000 0.000 3/25200 220.0 2.762 2.584 2.053 0.000 0.000 0.000 3/25200 230.0 2.634 2.466 1.957 0.000 0.000 0.000 3/25200 240.0 2.517 2.358 1.870 0.000 0.000 0.000 3/25200 250.0 2.409 2.259 1.790 0.000 0.000 0.000 3/25200 260.0 2.311 2.168 1.717 0.000 0.000 0.000 3/25200 270.0 2.220 2.085 1.649 0.000 0.000 0.000 3/25200 280.0 2.137 2.007 1.587 0.000 0.000 0.000 3/25200 290.0 2.059 1.936 1.530 0.000 0.000 0.000 3/25200 300.0 1.987 1.869 1.476 0.000 0.000 0.000 3/25200 310.0 1.920 1.807 1.427 0.000 0.000 0.000 3/25200 320.0 1.857 1.749 1.380 0.000 0.000 0.000 3/25200 330.0 1.798 1.694 1.337 0.000 0.000 0.000 3/25200 340.0 1.743 1.643 1.296 0.000 0.000 0.000 3/25200 350.0 1.692 1.596 1.258 0.000 0.000 0.000 3/25200 360.0 1.643 1.550 1.222 0.000 0.000 0.000 3/25200 370.0 1.597 1.508 1.188 0.000 0.000 0.000 3/25200 380.0 1.554 1.468 1.156 0.000 0.000 0.000 3/25200 390.0 1.513 1.429 1.126 0.000 0.000 0.000 3/25200 400.0 1.474 1.393 1.097 0.000 0.000 0.000 3/25200 410.0 1.437 1.359 1.070 0.000 0.000 0.000 3/25200 420.0 1.402 1.327 1.044 0.000 0.000 0.000 3/25200 430.0 1.369 1.296 1.019 0.000 0.000 0.000 3/25200 440.0 1.337 1.266 0.996 0.000 0.000 0.000 3/25200 450.0 1.307 1.238 0.973 0.000 0.000 0.000 3/25200 460.0 1.278 1.211 0.952 0.000 0.000 0.000 3/25200 470.0 1.250 1.185 0.932 0.000 0.000 0.000 3/25200 480.0 1.224 1.161 0.912 0.000 0.000 0.000 3/25200 490.0 1.199 1.137 0.893 0.000 0.000 0.000 3/25200 500.0 1.175 1.114 0.876 0.000 0.000 0.000 3/25200 510.0 1.152 1.093 0.858 0.000 0.000 0.000 3/25200 520.0 1.129 1.072 0.842 0.000 0.000 0.000 3/25200 530.0 1.108 1.052 0.826 0.000 0.000 0.000 3/25200 540.0 1.087 1.033 0.811 0.000 0.000 0.000 3/25200 550.0 1.068 1.014 0.796 0.000 0.000 0.000 3/25200 560.0 1.049 0.996 0.782 0.000 0.000 0.000 3/25200 570.0 1.030 0.979 0.768 0.000 0.000 0.000 3/25200 580.0 1.013 0.962 0.755 0.000 0.000 0.000 3/25200 590.0 0.996 0.946 0.743 0.000 0.000 0.000 3/25200 600.0 0.979 0.931 0.730 0.000 0.000 0.000 3/25200 610.0 0.963 0.916 0.719 0.000 0.000 0.000 3/25200 620.0 0.948 0.901 0.707 0.000 0.000 0.000 3/25200 630.0 0.933 0.887 0.696 0.000 0.000 0.000 3/25200 640.0 0.919 0.874 0.685 0.000 0.000 0.000 3/25200 650.0 0.905 0.861 0.675 0.000 0.000 0.000 3/25200 660.0 0.891 0.848 0.665 0.000 0.000 0.000 3/25200 670.0 0.878 0.836 0.655 0.000 0.000 0.000 3/25200 680.0 0.865 0.824 0.646 0.000 0.000 0.000 3/25200 690.0 0.853 0.812 0.637 0.000 0.000 0.000 3/25200 700.0 0.841 0.801 0.628 0.000 0.000 0.000 3/25200 710.0 0.829 0.790 0.619 0.000 0.000 0.000 3/25200 720.0 0.818 0.779 0.611 0.000 0.000 0.000 3/25200 730.0 0.807 0.769 0.603 0.000 0.000 0.000 3/25200 740.0 0.796 0.759 0.595 0.000 0.000 0.000 3/25200 750.0 0.786 0.749 0.587 0.000 0.000 0.000 3/25200 760.0 0.776 0.739 0.579 0.000 0.000 0.000 3/25200 770.0 0.766 0.730 0.572 0.000 0.000 0.000 3/25200 780.0 0.756 0.721 0.565 0.000 0.000 0.000 3/25200 790.0 0.747 0.712 0.558 0.000 0.000 0.000 3/25200 800.0 0.738 0.704 0.551 0.000 0.000 0.000 3/25200 810.0 0.729 0.695 0.545 0.000 0.000 0.000 3/25200 820.0 0.720 0.687 0.538 0.000 0.000 0.000 3/25200 830.0 0.712 0.679 0.532 0.000 0.000 0.000 3/25200 840.0 0.704 0.671 0.526 0.000 0.000 0.000 3/25200 850.0 0.696 0.663 0.520 0.000 0.000 0.000 3/25200 860.0 0.688 0.656 0.514 0.000 0.000 0.000 3/25200 870.0 0.680 0.649 0.508 0.000 0.000 0.000 3/25200 880.0 0.673 0.642 0.503 0.000 0.000 0.000 3/25200 890.0 0.665 0.635 0.497 0.000 0.000 0.000 3/25200 900.0 0.658 0.628 0.492 0.000 0.000 0.000 3/25200 910.0 0.651 0.621 0.487 0.000 0.000 0.000 3/25200 920.0 0.644 0.615 0.481 0.000 0.000 0.000 3/25200 930.0 0.637 0.608 0.476 0.000 0.000 0.000 3/25200 940.0 0.631 0.602 0.472 0.000 0.000 0.000 3/25200 950.0 0.624 0.596 0.467 0.000 0.000 0.000 3/25200 960.0 0.618 0.590 0.462 0.000 0.000 0.000 3/25200 970.0 0.612 0.584 0.457 0.000 0.000 0.000 3/25200 980.0 0.606 0.578 0.453 0.000 0.000 0.000 3/25200 990.0 0.600 0.573 0.449 0.000 0.000 0.000 3/25200 1000.0 0.594 0.567 0.444 0.000 0.000 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m6107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:31:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|