----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:03:33]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.526809390000314 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963755870000001 0.000000000000000 c -5.418364258266616 0.000000000000000 7.987922306496728 Atomic positions (fractional): *1 O 0.77405401918456 0.28026707279318 0.93702783991015 15.999 2 O 0.22594598081544 0.78026707279318 0.56297216008985 15.999 3 O 0.22594598081544 0.71973292720682 0.06297216008985 15.999 4 O 0.77405401918456 0.21973292720682 0.43702783991015 15.999 *5 O 0.87675059288996 0.95878220279846 0.76653906144993 15.999 6 O 0.12324940711004 0.45878220279846 0.73346093855007 15.999 7 O 0.12324940711004 0.04121779720154 0.23346093855007 15.999 8 O 0.87675059288996 0.54121779720154 0.26653906144993 15.999 *9 O 0.65586524994334 0.67434007430165 0.45020972102353 15.999 10 O 0.34413475005666 0.17434007430165 0.04979027897647 15.999 11 O 0.34413475005666 0.32565992569835 0.54979027897647 15.999 12 O 0.65586524994334 0.82565992569835 0.95020972102353 15.999 *13 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 14 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 *15 La 0.72786341276548 0.92788106556085 0.24759805249581 138.905 16 La 0.27213658723452 0.42788106556085 0.25240194750419 138.905 17 La 0.72786341276548 0.57211893443915 0.74759805249581 138.905 18 La 0.27213658723452 0.07211893443915 0.75240194750419 138.905 *19 Os 0.00000000000000 0.50000000000000 0.50000000000000 190.230 20 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.526809390000314 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963755870000001 0.000000000000000 c -5.418364258266616 0.000000000000000 7.987922306496728 Atomic positions (fractional): *1 O 0.77405401918456 0.28026707279318 0.93702783991015 15.999 > 1 2 O 0.22594598081544 0.78026707279318 0.56297216008985 15.999 > 2 3 O 0.22594598081544 0.71973292720682 0.06297216008985 15.999 > 3 4 O 0.77405401918456 0.21973292720682 0.43702783991015 15.999 > 4 *5 O 0.87675059288996 0.95878220279846 0.76653906144993 15.999 > 5 6 O 0.12324940711004 0.45878220279846 0.73346093855007 15.999 > 6 7 O 0.12324940711004 0.04121779720154 0.23346093855007 15.999 > 7 8 O 0.87675059288996 0.54121779720154 0.26653906144993 15.999 > 8 *9 O 0.65586524994334 0.67434007430165 0.45020972102353 15.999 > 9 10 O 0.34413475005666 0.17434007430165 0.04979027897647 15.999 > 10 11 O 0.34413475005666 0.32565992569835 0.54979027897647 15.999 > 11 12 O 0.65586524994334 0.82565992569835 0.95020972102353 15.999 > 12 *13 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 13 14 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 14 *15 La 0.72786341276548 0.92788106556085 0.24759805249581 138.905 > 15 16 La 0.27213658723452 0.42788106556085 0.25240194750419 138.905 > 16 17 La 0.72786341276548 0.57211893443915 0.74759805249581 138.905 > 17 18 La 0.27213658723452 0.07211893443915 0.75240194750419 138.905 > 18 *19 Os 0.00000000000000 0.50000000000000 0.50000000000000 190.230 > 19 20 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.053618780000628 0.000000000000000 0.000000000000000 b 0.000000000000000 11.927511740000002 0.000000000000000 c -5.418364258266616 0.000000000000000 7.987922306496728 Atomic positions (fractional): *1 O 0.38702700959228 0.14013353639659 0.93702783991015 15.999 > 1 2 O 0.88702700959228 0.14013353639659 0.93702783991015 15.999 > 1 3 O 0.38702700959228 0.64013353639659 0.93702783991015 15.999 > 1 4 O 0.88702700959228 0.64013353639659 0.93702783991015 15.999 > 1 5 O 0.11297299040772 0.39013353639659 0.56297216008985 15.999 > 2 6 O 0.61297299040772 0.39013353639659 0.56297216008985 15.999 > 2 7 O 0.11297299040772 0.89013353639659 0.56297216008985 15.999 > 2 8 O 0.61297299040772 0.89013353639659 0.56297216008985 15.999 > 2 9 O 0.11297299040772 0.35986646360341 0.06297216008985 15.999 > 3 10 O 0.61297299040772 0.35986646360341 0.06297216008985 15.999 > 3 11 O 0.11297299040772 0.85986646360341 0.06297216008985 15.999 > 3 12 O 0.61297299040772 0.85986646360341 0.06297216008985 15.999 > 3 13 O 0.38702700959228 0.10986646360341 0.43702783991015 15.999 > 4 14 O 0.88702700959228 0.10986646360341 0.43702783991015 15.999 > 4 15 O 0.38702700959228 0.60986646360341 0.43702783991015 15.999 > 4 16 O 0.88702700959228 0.60986646360341 0.43702783991015 15.999 > 4 *17 O 0.43837529644498 0.47939110139923 0.76653906144993 15.999 > 5 18 O 0.93837529644498 0.47939110139923 0.76653906144993 15.999 > 5 19 O 0.43837529644498 0.97939110139923 0.76653906144993 15.999 > 5 20 O 0.93837529644498 0.97939110139923 0.76653906144993 15.999 > 5 21 O 0.06162470355502 0.22939110139923 0.73346093855007 15.999 > 6 22 O 0.56162470355502 0.22939110139923 0.73346093855007 15.999 > 6 23 O 0.06162470355502 0.72939110139923 0.73346093855007 15.999 > 6 24 O 0.56162470355502 0.72939110139923 0.73346093855007 15.999 > 6 25 O 0.06162470355502 0.02060889860077 0.23346093855007 15.999 > 7 26 O 0.56162470355502 0.02060889860077 0.23346093855007 15.999 > 7 27 O 0.06162470355502 0.52060889860077 0.23346093855007 15.999 > 7 28 O 0.56162470355502 0.52060889860077 0.23346093855007 15.999 > 7 29 O 0.43837529644498 0.27060889860077 0.26653906144993 15.999 > 8 30 O 0.93837529644498 0.27060889860077 0.26653906144993 15.999 > 8 31 O 0.43837529644498 0.77060889860077 0.26653906144993 15.999 > 8 32 O 0.93837529644498 0.77060889860077 0.26653906144993 15.999 > 8 *33 O 0.32793262497167 0.33717003715083 0.45020972102353 15.999 > 9 34 O 0.82793262497167 0.33717003715083 0.45020972102353 15.999 > 9 35 O 0.32793262497167 0.83717003715083 0.45020972102353 15.999 > 9 36 O 0.82793262497167 0.83717003715083 0.45020972102353 15.999 > 9 37 O 0.17206737502833 0.08717003715083 0.04979027897647 15.999 > 10 38 O 0.67206737502833 0.08717003715083 0.04979027897647 15.999 > 10 39 O 0.17206737502833 0.58717003715083 0.04979027897647 15.999 > 10 40 O 0.67206737502833 0.58717003715083 0.04979027897647 15.999 > 10 41 O 0.17206737502833 0.16282996284917 0.54979027897647 15.999 > 11 42 O 0.67206737502833 0.16282996284917 0.54979027897647 15.999 > 11 43 O 0.17206737502833 0.66282996284917 0.54979027897647 15.999 > 11 44 O 0.67206737502833 0.66282996284917 0.54979027897647 15.999 > 11 45 O 0.32793262497167 0.41282996284917 0.95020972102353 15.999 > 12 46 O 0.82793262497167 0.41282996284917 0.95020972102353 15.999 > 12 47 O 0.32793262497167 0.91282996284917 0.95020972102353 15.999 > 12 48 O 0.82793262497167 0.91282996284917 0.95020972102353 15.999 > 12 *49 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 13 50 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 13 51 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 13 52 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 13 53 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 14 54 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 14 55 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 14 56 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 14 *57 La 0.36393170638274 0.46394053278043 0.24759805249581 138.905 > 15 58 La 0.86393170638274 0.46394053278043 0.24759805249581 138.905 > 15 59 La 0.36393170638274 0.96394053278043 0.24759805249581 138.905 > 15 60 La 0.86393170638274 0.96394053278043 0.24759805249581 138.905 > 15 61 La 0.13606829361726 0.21394053278043 0.25240194750419 138.905 > 16 62 La 0.63606829361726 0.21394053278043 0.25240194750419 138.905 > 16 63 La 0.13606829361726 0.71394053278043 0.25240194750419 138.905 > 16 64 La 0.63606829361726 0.71394053278043 0.25240194750419 138.905 > 16 65 La 0.36393170638274 0.28605946721957 0.74759805249581 138.905 > 17 66 La 0.86393170638274 0.28605946721957 0.74759805249581 138.905 > 17 67 La 0.36393170638274 0.78605946721957 0.74759805249581 138.905 > 17 68 La 0.86393170638274 0.78605946721957 0.74759805249581 138.905 > 17 69 La 0.13606829361726 0.03605946721957 0.75240194750419 138.905 > 18 70 La 0.63606829361726 0.03605946721957 0.75240194750419 138.905 > 18 71 La 0.13606829361726 0.53605946721957 0.75240194750419 138.905 > 18 72 La 0.63606829361726 0.53605946721957 0.75240194750419 138.905 > 18 *73 Os 0.00000000000000 0.25000000000000 0.50000000000000 190.230 > 19 74 Os 0.50000000000000 0.25000000000000 0.50000000000000 190.230 > 19 75 Os 0.00000000000000 0.75000000000000 0.50000000000000 190.230 > 19 76 Os 0.50000000000000 0.75000000000000 0.50000000000000 190.230 > 19 77 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 20 78 Os 0.50000000000000 0.00000000000000 0.00000000000000 190.230 > 20 79 Os 0.00000000000000 0.50000000000000 0.00000000000000 190.230 > 20 80 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 473.7188215 0.0000000 273.0040659 0.0000000 2645.3833907 0.0000000 273.0076546 0.0000000 407.9697374 -------------------------- Born effective charges -------------------------- 1 O -0.5799998 3.2829021 0.1575334 2.1021003 -13.6756680 2.5923917 -1.5867604 -0.0759221 1.1720487 2 O -0.5799998 -3.2829021 0.1575334 -2.1021003 -13.6756680 -2.5923917 -1.5867604 0.0759221 1.1720487 3 O -0.5799998 3.2829021 0.1575334 2.1021003 -13.6756680 2.5923917 -1.5867604 -0.0759221 1.1720487 4 O -0.5799998 -3.2829021 0.1575334 -2.1021003 -13.6756680 -2.5923917 -1.5867604 0.0759221 1.1720487 5 O -5.2772978 -0.2583570 1.4552761 8.1949122 4.7082486 -0.4549286 -1.8688260 0.6855596 -1.0149043 6 O -5.2772978 0.2583570 1.4552761 -8.1949122 4.7082486 0.4549286 -1.8688260 -0.6855596 -1.0149043 7 O -5.2772978 -0.2583570 1.4552761 8.1949122 4.7082486 -0.4549286 -1.8688260 0.6855596 -1.0149043 8 O -5.2772978 0.2583570 1.4552761 -8.1949122 4.7082486 0.4549286 -1.8688260 -0.6855596 -1.0149043 9 O -2.4119256 -0.4088401 -3.4868006 5.3332896 -2.9139180 -10.1166113 0.3230084 -1.5602490 -4.7634338 10 O -2.4119256 0.4088401 -3.4868006 -5.3332896 -2.9139180 10.1166113 0.3230084 1.5602490 -4.7634338 11 O -2.4119256 -0.4088401 -3.4868006 5.3332896 -2.9139180 -10.1166113 0.3230084 -1.5602490 -4.7634338 12 O -2.4119256 0.4088401 -3.4868006 -5.3332896 -2.9139180 10.1166113 0.3230084 1.5602490 -4.7634338 13 Na 1.0845233 -0.2431487 0.1795032 1.3257063 2.8162137 -0.2471597 0.0272502 -0.4323325 1.0513479 14 Na 1.0845233 0.2431487 0.1795032 -1.3257063 2.8162137 0.2471597 0.0272502 0.4323325 1.0513479 15 La 4.6276905 2.8261994 -0.3887294 6.5839661 11.3996820 -7.8626632 0.4704886 1.0794873 0.7212726 16 La 4.6276905 -2.8261994 -0.3887294 -6.5839661 11.3996820 7.8626632 0.4704886 -1.0794873 0.7212726 17 La 4.6276905 -2.8261994 -0.3887294 -6.5839661 11.3996820 7.8626632 0.4704886 -1.0794873 0.7212726 18 La 4.6276905 2.8261994 -0.3887294 6.5839661 11.3996820 -7.8626632 0.4704886 1.0794873 0.7212726 19 Os 6.1985421 3.7767590 4.3459379 9.2880967 -1.8529027 20.0888464 5.2969287 1.5055045 6.7186855 20 Os 6.1985421 -3.7767590 4.3459379 -9.2880967 -1.8529027 -20.0888464 5.2969287 -1.5055045 6.7186855 ---------------------------------------------------------------------------- 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: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 640 - Time: 0.535 Solver_block: 200 / 640 - Time: 0.482 Solver_block: 300 / 640 - Time: 0.473 Solver_block: 400 / 640 - Time: 0.474 Solver_block: 500 / 640 - Time: 0.474 Solver_block: 600 / 640 - Time: 0.473 Solver_block: 640 / 640 - Time: 0.249 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.208 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 1908 Number of blocks in projector: 1908 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: 404 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 232 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1855), data: False |-- (232, 226), data: True |-- (232, 226), data: True |-- (232, 226), data: True |-- (404, 393), data: True |-- (404, 392), data: True |-- (404, 392), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 00:03:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:03:59]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.526809390000314 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963755870000001 0.000000000000000 c -5.418364258266616 0.000000000000000 7.987922306496728 Atomic positions (fractional): 1 O 0.77405401918456 0.28026707279318 0.93702783991015 15.999 2 O 0.22594598081544 0.78026707279318 0.56297216008985 15.999 3 O 0.22594598081544 0.71973292720682 0.06297216008985 15.999 4 O 0.77405401918456 0.21973292720682 0.43702783991015 15.999 5 O 0.87675059288996 0.95878220279846 0.76653906144993 15.999 6 O 0.12324940711004 0.45878220279846 0.73346093855007 15.999 7 O 0.12324940711004 0.04121779720154 0.23346093855007 15.999 8 O 0.87675059288996 0.54121779720154 0.26653906144993 15.999 9 O 0.65586524994334 0.67434007430165 0.45020972102353 15.999 10 O 0.34413475005666 0.17434007430165 0.04979027897647 15.999 11 O 0.34413475005666 0.32565992569835 0.54979027897647 15.999 12 O 0.65586524994334 0.82565992569835 0.95020972102353 15.999 13 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 14 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 15 La 0.72786341276548 0.92788106556085 0.24759805249581 138.905 16 La 0.27213658723452 0.42788106556085 0.25240194750419 138.905 17 La 0.72786341276548 0.57211893443915 0.74759805249581 138.905 18 La 0.27213658723452 0.07211893443915 0.75240194750419 138.905 19 Os 0.00000000000000 0.50000000000000 0.50000000000000 190.230 20 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.053618780000628 0.000000000000000 0.000000000000000 b 0.000000000000000 11.927511740000002 0.000000000000000 c -5.418364258266616 0.000000000000000 7.987922306496728 Atomic positions (fractional): 1 O 0.38702700959228 0.14013353639659 0.93702783991015 15.999 > 1 2 O 0.88702700959228 0.14013353639659 0.93702783991015 15.999 > 1 3 O 0.38702700959228 0.64013353639659 0.93702783991015 15.999 > 1 4 O 0.88702700959228 0.64013353639659 0.93702783991015 15.999 > 1 5 O 0.11297299040772 0.39013353639659 0.56297216008985 15.999 > 5 6 O 0.61297299040772 0.39013353639659 0.56297216008985 15.999 > 5 7 O 0.11297299040772 0.89013353639659 0.56297216008985 15.999 > 5 8 O 0.61297299040772 0.89013353639659 0.56297216008985 15.999 > 5 9 O 0.11297299040772 0.35986646360341 0.06297216008985 15.999 > 9 10 O 0.61297299040772 0.35986646360341 0.06297216008985 15.999 > 9 11 O 0.11297299040772 0.85986646360341 0.06297216008985 15.999 > 9 12 O 0.61297299040772 0.85986646360341 0.06297216008985 15.999 > 9 13 O 0.38702700959228 0.10986646360341 0.43702783991015 15.999 > 13 14 O 0.88702700959228 0.10986646360341 0.43702783991015 15.999 > 13 15 O 0.38702700959228 0.60986646360341 0.43702783991015 15.999 > 13 16 O 0.88702700959228 0.60986646360341 0.43702783991015 15.999 > 13 17 O 0.43837529644498 0.47939110139923 0.76653906144993 15.999 > 17 18 O 0.93837529644498 0.47939110139923 0.76653906144993 15.999 > 17 19 O 0.43837529644498 0.97939110139923 0.76653906144993 15.999 > 17 20 O 0.93837529644498 0.97939110139923 0.76653906144993 15.999 > 17 21 O 0.06162470355502 0.22939110139923 0.73346093855007 15.999 > 21 22 O 0.56162470355502 0.22939110139923 0.73346093855007 15.999 > 21 23 O 0.06162470355502 0.72939110139923 0.73346093855007 15.999 > 21 24 O 0.56162470355502 0.72939110139923 0.73346093855007 15.999 > 21 25 O 0.06162470355502 0.02060889860077 0.23346093855007 15.999 > 25 26 O 0.56162470355502 0.02060889860077 0.23346093855007 15.999 > 25 27 O 0.06162470355502 0.52060889860077 0.23346093855007 15.999 > 25 28 O 0.56162470355502 0.52060889860077 0.23346093855007 15.999 > 25 29 O 0.43837529644498 0.27060889860077 0.26653906144993 15.999 > 29 30 O 0.93837529644498 0.27060889860077 0.26653906144993 15.999 > 29 31 O 0.43837529644498 0.77060889860077 0.26653906144993 15.999 > 29 32 O 0.93837529644498 0.77060889860077 0.26653906144993 15.999 > 29 33 O 0.32793262497167 0.33717003715083 0.45020972102353 15.999 > 33 34 O 0.82793262497167 0.33717003715083 0.45020972102353 15.999 > 33 35 O 0.32793262497167 0.83717003715083 0.45020972102353 15.999 > 33 36 O 0.82793262497167 0.83717003715083 0.45020972102353 15.999 > 33 37 O 0.17206737502833 0.08717003715083 0.04979027897647 15.999 > 37 38 O 0.67206737502833 0.08717003715083 0.04979027897647 15.999 > 37 39 O 0.17206737502833 0.58717003715083 0.04979027897647 15.999 > 37 40 O 0.67206737502833 0.58717003715083 0.04979027897647 15.999 > 37 41 O 0.17206737502833 0.16282996284917 0.54979027897647 15.999 > 41 42 O 0.67206737502833 0.16282996284917 0.54979027897647 15.999 > 41 43 O 0.17206737502833 0.66282996284917 0.54979027897647 15.999 > 41 44 O 0.67206737502833 0.66282996284917 0.54979027897647 15.999 > 41 45 O 0.32793262497167 0.41282996284917 0.95020972102353 15.999 > 45 46 O 0.82793262497167 0.41282996284917 0.95020972102353 15.999 > 45 47 O 0.32793262497167 0.91282996284917 0.95020972102353 15.999 > 45 48 O 0.82793262497167 0.91282996284917 0.95020972102353 15.999 > 45 49 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 49 50 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 49 51 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 49 52 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 49 53 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 53 54 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 53 55 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 53 56 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 53 57 La 0.36393170638274 0.46394053278043 0.24759805249581 138.905 > 57 58 La 0.86393170638274 0.46394053278043 0.24759805249581 138.905 > 57 59 La 0.36393170638274 0.96394053278043 0.24759805249581 138.905 > 57 60 La 0.86393170638274 0.96394053278043 0.24759805249581 138.905 > 57 61 La 0.13606829361726 0.21394053278043 0.25240194750419 138.905 > 61 62 La 0.63606829361726 0.21394053278043 0.25240194750419 138.905 > 61 63 La 0.13606829361726 0.71394053278043 0.25240194750419 138.905 > 61 64 La 0.63606829361726 0.71394053278043 0.25240194750419 138.905 > 61 65 La 0.36393170638274 0.28605946721957 0.74759805249581 138.905 > 65 66 La 0.86393170638274 0.28605946721957 0.74759805249581 138.905 > 65 67 La 0.36393170638274 0.78605946721957 0.74759805249581 138.905 > 65 68 La 0.86393170638274 0.78605946721957 0.74759805249581 138.905 > 65 69 La 0.13606829361726 0.03605946721957 0.75240194750419 138.905 > 69 70 La 0.63606829361726 0.03605946721957 0.75240194750419 138.905 > 69 71 La 0.13606829361726 0.53605946721957 0.75240194750419 138.905 > 69 72 La 0.63606829361726 0.53605946721957 0.75240194750419 138.905 > 69 73 Os 0.00000000000000 0.25000000000000 0.50000000000000 190.230 > 73 74 Os 0.50000000000000 0.25000000000000 0.50000000000000 190.230 > 73 75 Os 0.00000000000000 0.75000000000000 0.50000000000000 190.230 > 73 76 Os 0.50000000000000 0.75000000000000 0.50000000000000 190.230 > 73 77 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 77 78 Os 0.50000000000000 0.00000000000000 0.00000000000000 190.230 > 77 79 Os 0.00000000000000 0.50000000000000 0.00000000000000 190.230 > 77 80 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 473.7188215 0.0000000 273.0040659 0.0000000 2645.3833907 0.0000000 273.0076546 0.0000000 407.9697374 -------------------------- Born effective charges -------------------------- 1 O -0.5799998 3.2829021 0.1575334 2.1021003 -13.6756680 2.5923917 -1.5867604 -0.0759221 1.1720487 2 O -0.5799998 -3.2829021 0.1575334 -2.1021003 -13.6756680 -2.5923917 -1.5867604 0.0759221 1.1720487 3 O -0.5799998 3.2829021 0.1575334 2.1021003 -13.6756680 2.5923917 -1.5867604 -0.0759221 1.1720487 4 O -0.5799998 -3.2829021 0.1575334 -2.1021003 -13.6756680 -2.5923917 -1.5867604 0.0759221 1.1720487 5 O -5.2772978 -0.2583570 1.4552761 8.1949122 4.7082486 -0.4549286 -1.8688260 0.6855596 -1.0149043 6 O -5.2772978 0.2583570 1.4552761 -8.1949122 4.7082486 0.4549286 -1.8688260 -0.6855596 -1.0149043 7 O -5.2772978 -0.2583570 1.4552761 8.1949122 4.7082486 -0.4549286 -1.8688260 0.6855596 -1.0149043 8 O -5.2772978 0.2583570 1.4552761 -8.1949122 4.7082486 0.4549286 -1.8688260 -0.6855596 -1.0149043 9 O -2.4119256 -0.4088401 -3.4868006 5.3332896 -2.9139180 -10.1166113 0.3230084 -1.5602490 -4.7634338 10 O -2.4119256 0.4088401 -3.4868006 -5.3332896 -2.9139180 10.1166113 0.3230084 1.5602490 -4.7634338 11 O -2.4119256 -0.4088401 -3.4868006 5.3332896 -2.9139180 -10.1166113 0.3230084 -1.5602490 -4.7634338 12 O -2.4119256 0.4088401 -3.4868006 -5.3332896 -2.9139180 10.1166113 0.3230084 1.5602490 -4.7634338 13 Na 1.0845233 -0.2431487 0.1795032 1.3257063 2.8162137 -0.2471597 0.0272502 -0.4323325 1.0513479 14 Na 1.0845233 0.2431487 0.1795032 -1.3257063 2.8162137 0.2471597 0.0272502 0.4323325 1.0513479 15 La 4.6276905 2.8261994 -0.3887294 6.5839661 11.3996820 -7.8626632 0.4704886 1.0794873 0.7212726 16 La 4.6276905 -2.8261994 -0.3887294 -6.5839661 11.3996820 7.8626632 0.4704886 -1.0794873 0.7212726 17 La 4.6276905 -2.8261994 -0.3887294 -6.5839661 11.3996820 7.8626632 0.4704886 -1.0794873 0.7212726 18 La 4.6276905 2.8261994 -0.3887294 6.5839661 11.3996820 -7.8626632 0.4704886 1.0794873 0.7212726 19 Os 6.1985421 3.7767590 4.3459379 9.2880967 -1.8529027 20.0888464 5.2969287 1.5055045 6.7186855 20 Os 6.1985421 -3.7767590 4.3459379 -9.2880967 -1.8529027 -20.0888464 5.2969287 -1.5055045 6.7186855 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 17, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 57, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000008 (zzz) 0.00000008 (zzz) 0.00000008 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000048 (xy) -0.00000048 (xy) 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 00:04:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:04:18]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.526809390000314 0.000000000000000 0.000000000000000 b 0.000000000000000 5.963755870000001 0.000000000000000 c -5.418364258266616 0.000000000000000 7.987922306496728 Atomic positions (fractional): 1 O 0.77405401918456 0.28026707279318 0.93702783991015 15.999 2 O 0.22594598081544 0.78026707279318 0.56297216008985 15.999 3 O 0.22594598081544 0.71973292720682 0.06297216008985 15.999 4 O 0.77405401918456 0.21973292720682 0.43702783991015 15.999 5 O 0.87675059288996 0.95878220279846 0.76653906144993 15.999 6 O 0.12324940711004 0.45878220279846 0.73346093855007 15.999 7 O 0.12324940711004 0.04121779720154 0.23346093855007 15.999 8 O 0.87675059288996 0.54121779720154 0.26653906144993 15.999 9 O 0.65586524994334 0.67434007430165 0.45020972102353 15.999 10 O 0.34413475005666 0.17434007430165 0.04979027897647 15.999 11 O 0.34413475005666 0.32565992569835 0.54979027897647 15.999 12 O 0.65586524994334 0.82565992569835 0.95020972102353 15.999 13 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 14 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 15 La 0.72786341276548 0.92788106556085 0.24759805249581 138.905 16 La 0.27213658723452 0.42788106556085 0.25240194750419 138.905 17 La 0.72786341276548 0.57211893443915 0.74759805249581 138.905 18 La 0.27213658723452 0.07211893443915 0.75240194750419 138.905 19 Os 0.00000000000000 0.50000000000000 0.50000000000000 190.230 20 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.053618780000628 0.000000000000000 0.000000000000000 b 0.000000000000000 11.927511740000002 0.000000000000000 c -5.418364258266616 0.000000000000000 7.987922306496728 Atomic positions (fractional): 1 O 0.38702700959228 0.14013353639659 0.93702783991015 15.999 > 1 2 O 0.88702700959228 0.14013353639659 0.93702783991015 15.999 > 1 3 O 0.38702700959228 0.64013353639659 0.93702783991015 15.999 > 1 4 O 0.88702700959228 0.64013353639659 0.93702783991015 15.999 > 1 5 O 0.11297299040772 0.39013353639659 0.56297216008985 15.999 > 5 6 O 0.61297299040772 0.39013353639659 0.56297216008985 15.999 > 5 7 O 0.11297299040772 0.89013353639659 0.56297216008985 15.999 > 5 8 O 0.61297299040772 0.89013353639659 0.56297216008985 15.999 > 5 9 O 0.11297299040772 0.35986646360341 0.06297216008985 15.999 > 9 10 O 0.61297299040772 0.35986646360341 0.06297216008985 15.999 > 9 11 O 0.11297299040772 0.85986646360341 0.06297216008985 15.999 > 9 12 O 0.61297299040772 0.85986646360341 0.06297216008985 15.999 > 9 13 O 0.38702700959228 0.10986646360341 0.43702783991015 15.999 > 13 14 O 0.88702700959228 0.10986646360341 0.43702783991015 15.999 > 13 15 O 0.38702700959228 0.60986646360341 0.43702783991015 15.999 > 13 16 O 0.88702700959228 0.60986646360341 0.43702783991015 15.999 > 13 17 O 0.43837529644498 0.47939110139923 0.76653906144993 15.999 > 17 18 O 0.93837529644498 0.47939110139923 0.76653906144993 15.999 > 17 19 O 0.43837529644498 0.97939110139923 0.76653906144993 15.999 > 17 20 O 0.93837529644498 0.97939110139923 0.76653906144993 15.999 > 17 21 O 0.06162470355502 0.22939110139923 0.73346093855007 15.999 > 21 22 O 0.56162470355502 0.22939110139923 0.73346093855007 15.999 > 21 23 O 0.06162470355502 0.72939110139923 0.73346093855007 15.999 > 21 24 O 0.56162470355502 0.72939110139923 0.73346093855007 15.999 > 21 25 O 0.06162470355502 0.02060889860077 0.23346093855007 15.999 > 25 26 O 0.56162470355502 0.02060889860077 0.23346093855007 15.999 > 25 27 O 0.06162470355502 0.52060889860077 0.23346093855007 15.999 > 25 28 O 0.56162470355502 0.52060889860077 0.23346093855007 15.999 > 25 29 O 0.43837529644498 0.27060889860077 0.26653906144993 15.999 > 29 30 O 0.93837529644498 0.27060889860077 0.26653906144993 15.999 > 29 31 O 0.43837529644498 0.77060889860077 0.26653906144993 15.999 > 29 32 O 0.93837529644498 0.77060889860077 0.26653906144993 15.999 > 29 33 O 0.32793262497167 0.33717003715083 0.45020972102353 15.999 > 33 34 O 0.82793262497167 0.33717003715083 0.45020972102353 15.999 > 33 35 O 0.32793262497167 0.83717003715083 0.45020972102353 15.999 > 33 36 O 0.82793262497167 0.83717003715083 0.45020972102353 15.999 > 33 37 O 0.17206737502833 0.08717003715083 0.04979027897647 15.999 > 37 38 O 0.67206737502833 0.08717003715083 0.04979027897647 15.999 > 37 39 O 0.17206737502833 0.58717003715083 0.04979027897647 15.999 > 37 40 O 0.67206737502833 0.58717003715083 0.04979027897647 15.999 > 37 41 O 0.17206737502833 0.16282996284917 0.54979027897647 15.999 > 41 42 O 0.67206737502833 0.16282996284917 0.54979027897647 15.999 > 41 43 O 0.17206737502833 0.66282996284917 0.54979027897647 15.999 > 41 44 O 0.67206737502833 0.66282996284917 0.54979027897647 15.999 > 41 45 O 0.32793262497167 0.41282996284917 0.95020972102353 15.999 > 45 46 O 0.82793262497167 0.41282996284917 0.95020972102353 15.999 > 45 47 O 0.32793262497167 0.91282996284917 0.95020972102353 15.999 > 45 48 O 0.82793262497167 0.91282996284917 0.95020972102353 15.999 > 45 49 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 49 50 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 49 51 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 49 52 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 49 53 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 53 54 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 53 55 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 53 56 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 53 57 La 0.36393170638274 0.46394053278043 0.24759805249581 138.905 > 57 58 La 0.86393170638274 0.46394053278043 0.24759805249581 138.905 > 57 59 La 0.36393170638274 0.96394053278043 0.24759805249581 138.905 > 57 60 La 0.86393170638274 0.96394053278043 0.24759805249581 138.905 > 57 61 La 0.13606829361726 0.21394053278043 0.25240194750419 138.905 > 61 62 La 0.63606829361726 0.21394053278043 0.25240194750419 138.905 > 61 63 La 0.13606829361726 0.71394053278043 0.25240194750419 138.905 > 61 64 La 0.63606829361726 0.71394053278043 0.25240194750419 138.905 > 61 65 La 0.36393170638274 0.28605946721957 0.74759805249581 138.905 > 65 66 La 0.86393170638274 0.28605946721957 0.74759805249581 138.905 > 65 67 La 0.36393170638274 0.78605946721957 0.74759805249581 138.905 > 65 68 La 0.86393170638274 0.78605946721957 0.74759805249581 138.905 > 65 69 La 0.13606829361726 0.03605946721957 0.75240194750419 138.905 > 69 70 La 0.63606829361726 0.03605946721957 0.75240194750419 138.905 > 69 71 La 0.13606829361726 0.53605946721957 0.75240194750419 138.905 > 69 72 La 0.63606829361726 0.53605946721957 0.75240194750419 138.905 > 69 73 Os 0.00000000000000 0.25000000000000 0.50000000000000 190.230 > 73 74 Os 0.50000000000000 0.25000000000000 0.50000000000000 190.230 > 73 75 Os 0.00000000000000 0.75000000000000 0.50000000000000 190.230 > 73 76 Os 0.50000000000000 0.75000000000000 0.50000000000000 190.230 > 73 77 Os 0.00000000000000 0.00000000000000 0.00000000000000 190.230 > 77 78 Os 0.50000000000000 0.00000000000000 0.00000000000000 190.230 > 77 79 Os 0.00000000000000 0.50000000000000 0.00000000000000 190.230 > 77 80 Os 0.50000000000000 0.50000000000000 0.00000000000000 190.230 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 473.7188215 0.0000000 273.0040659 0.0000000 2645.3833907 0.0000000 273.0076546 0.0000000 407.9697374 -------------------------- Born effective charges -------------------------- 1 O -0.5799998 3.2829021 0.1575334 2.1021003 -13.6756680 2.5923917 -1.5867604 -0.0759221 1.1720487 2 O -0.5799998 -3.2829021 0.1575334 -2.1021003 -13.6756680 -2.5923917 -1.5867604 0.0759221 1.1720487 3 O -0.5799998 3.2829021 0.1575334 2.1021003 -13.6756680 2.5923917 -1.5867604 -0.0759221 1.1720487 4 O -0.5799998 -3.2829021 0.1575334 -2.1021003 -13.6756680 -2.5923917 -1.5867604 0.0759221 1.1720487 5 O -5.2772978 -0.2583570 1.4552761 8.1949122 4.7082486 -0.4549286 -1.8688260 0.6855596 -1.0149043 6 O -5.2772978 0.2583570 1.4552761 -8.1949122 4.7082486 0.4549286 -1.8688260 -0.6855596 -1.0149043 7 O -5.2772978 -0.2583570 1.4552761 8.1949122 4.7082486 -0.4549286 -1.8688260 0.6855596 -1.0149043 8 O -5.2772978 0.2583570 1.4552761 -8.1949122 4.7082486 0.4549286 -1.8688260 -0.6855596 -1.0149043 9 O -2.4119256 -0.4088401 -3.4868006 5.3332896 -2.9139180 -10.1166113 0.3230084 -1.5602490 -4.7634338 10 O -2.4119256 0.4088401 -3.4868006 -5.3332896 -2.9139180 10.1166113 0.3230084 1.5602490 -4.7634338 11 O -2.4119256 -0.4088401 -3.4868006 5.3332896 -2.9139180 -10.1166113 0.3230084 -1.5602490 -4.7634338 12 O -2.4119256 0.4088401 -3.4868006 -5.3332896 -2.9139180 10.1166113 0.3230084 1.5602490 -4.7634338 13 Na 1.0845233 -0.2431487 0.1795032 1.3257063 2.8162137 -0.2471597 0.0272502 -0.4323325 1.0513479 14 Na 1.0845233 0.2431487 0.1795032 -1.3257063 2.8162137 0.2471597 0.0272502 0.4323325 1.0513479 15 La 4.6276905 2.8261994 -0.3887294 6.5839661 11.3996820 -7.8626632 0.4704886 1.0794873 0.7212726 16 La 4.6276905 -2.8261994 -0.3887294 -6.5839661 11.3996820 7.8626632 0.4704886 -1.0794873 0.7212726 17 La 4.6276905 -2.8261994 -0.3887294 -6.5839661 11.3996820 7.8626632 0.4704886 -1.0794873 0.7212726 18 La 4.6276905 2.8261994 -0.3887294 6.5839661 11.3996820 -7.8626632 0.4704886 1.0794873 0.7212726 19 Os 6.1985421 3.7767590 4.3459379 9.2880967 -1.8529027 20.0888464 5.2969287 1.5055045 6.7186855 20 Os 6.1985421 -3.7767590 4.3459379 -9.2880967 -1.8529027 -20.0888464 5.2969287 -1.5055045 6.7186855 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000008 (zzz) 0.00000008 (zzz) 0.00000008 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 8 6 ] 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: 0.65, Number of G-points: 299, Lambda: 2.31 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/170) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 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 2.008 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.681 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.550 ( 0.000 0.000 0.000) 0.000 6.721 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.266 ( 0.000 0.000 0.000) 0.000 7.353 ( 0.000 0.000 0.000) 0.000 7.419 ( 0.000 0.000 0.000) 0.000 7.548 ( 0.000 0.000 0.000) 0.000 7.761 ( 0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.638 ( 0.000 0.000 0.000) 0.000 8.962 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.393 ( 0.000 0.000 0.000) 0.000 9.506 ( 0.000 0.000 0.000) 0.000 9.601 ( 0.000 0.000 0.000) 0.000 9.910 ( 0.000 0.000 0.000) 0.000 9.960 ( 0.000 0.000 0.000) 0.000 10.309 ( 0.000 0.000 0.000) 0.000 10.635 ( 0.000 0.000 0.000) 0.000 11.003 ( 0.000 0.000 0.000) 0.000 11.414 ( 0.000 0.000 0.000) 0.000 11.427 ( 0.000 0.000 0.000) 0.000 12.378 ( 0.000 0.000 0.000) 0.000 12.390 ( 0.000 0.000 0.000) 0.000 13.114 ( 0.000 0.000 0.000) 0.000 13.590 ( 0.000 0.000 0.000) 0.000 14.819 ( 0.000 0.000 0.000) 0.000 15.419 ( 0.000 0.000 0.000) 0.000 15.827 ( 0.000 0.000 0.000) 0.000 16.027 ( 0.000 0.000 0.000) 0.000 16.114 ( 0.000 0.000 0.000) 0.000 16.528 ( 0.000 0.000 0.000) 0.000 16.759 ( 0.000 0.000 0.000) 0.000 16.810 ( 0.000 0.000 0.000) 0.000 17.071 ( 0.000 0.000 0.000) 0.000 17.730 ( 0.000 0.000 0.000) 0.000 20.376 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/170) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 23.394 0.000 6.071) 24.169 0.461 ( 20.347 0.000 11.709) 23.476 0.886 ( 33.831 0.000 26.360) 42.888 2.134 ( 9.043 0.000 7.586) 11.803 2.507 ( -8.724 0.000 -2.293) 9.021 2.618 ( -3.017 0.000 -3.883) 4.918 2.621 ( 0.705 0.000 -9.610) 9.636 2.789 ( -0.905 0.000 1.726) 1.949 3.016 ( -0.289 0.000 4.733) 4.742 3.339 ( -7.452 0.000 -1.598) 7.621 3.465 ( -4.823 0.000 -3.949) 6.234 3.709 ( -1.744 0.000 6.707) 6.930 3.745 ( -0.413 0.000 1.780) 1.827 3.890 ( 3.675 0.000 -2.741) 4.585 4.026 ( -3.179 0.000 -2.548) 4.074 4.107 ( 1.704 0.000 2.070) 2.682 4.140 ( -2.338 0.000 -0.614) 2.417 4.651 ( 0.366 0.000 -0.792) 0.873 5.384 ( -9.911 0.000 0.366) 9.918 5.859 ( -7.839 0.000 -1.767) 8.036 6.265 ( 1.651 0.000 -3.085) 3.499 6.551 ( -2.609 0.000 3.802) 4.611 6.718 ( -0.269 0.000 -0.272) 0.383 6.957 ( -10.485 0.000 -6.169) 12.165 6.992 ( -9.213 0.000 -10.488) 13.960 7.298 ( -5.710 0.000 0.822) 5.769 7.646 ( 12.368 0.000 5.585) 13.570 7.740 ( 15.211 0.000 -4.492) 15.860 7.779 ( 2.389 0.000 2.134) 3.203 7.881 ( 7.381 0.000 -1.170) 7.473 8.287 ( 5.004 0.000 9.862) 11.059 8.531 ( 0.814 0.000 15.758) 15.779 8.614 ( -4.349 0.000 0.930) 4.447 9.003 ( 0.435 0.000 2.046) 2.092 9.161 ( -5.761 0.000 -5.549) 7.999 9.452 ( -3.960 0.000 -1.459) 4.220 9.561 ( 6.309 0.000 4.762) 7.904 9.662 ( 8.312 0.000 -5.878) 10.180 9.875 ( -3.706 0.000 -8.808) 9.556 9.887 ( -0.971 0.000 -1.768) 2.017 10.298 ( -3.165 0.000 5.595) 6.428 10.867 ( 4.736 0.000 3.565) 5.928 11.049 ( 0.686 0.000 6.370) 6.407 11.262 ( -9.949 0.000 -3.939) 10.700 11.461 ( -1.015 0.000 -0.284) 1.053 12.275 ( -5.617 0.000 -3.003) 6.369 12.458 ( 6.368 0.000 -4.771) 7.957 13.025 ( -9.266 0.000 1.968) 9.473 13.736 ( 16.729 0.000 -2.619) 16.933 14.911 ( 5.464 0.000 7.241) 9.071 15.379 ( -2.602 0.000 -2.937) 3.924 15.825 ( -0.971 0.000 0.817) 1.269 16.065 ( 2.410 0.000 2.245) 3.294 16.099 ( 0.187 0.000 -2.774) 2.780 16.516 ( -1.877 0.000 -0.240) 1.892 16.688 ( -5.294 0.000 -11.133) 12.328 16.754 ( 0.373 0.000 -1.464) 1.511 17.113 ( 14.454 0.000 -13.386) 19.700 17.863 ( -4.092 0.000 26.281) 26.598 20.285 ( -7.010 0.000 -5.725) 9.051 ======================= Grid point 2 (3/170) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 22.127 0.000 4.985) 22.681 0.933 ( 20.667 0.000 12.394) 24.099 1.651 ( 26.779 0.000 17.914) 32.219 2.278 ( -13.126 0.000 -3.645) 13.623 2.406 ( 8.045 0.000 6.647) 10.435 2.499 ( -0.166 0.000 -12.534) 12.535 2.537 ( -2.169 0.000 2.647) 3.422 2.758 ( -3.857 0.000 -0.501) 3.889 3.032 ( -6.187 0.000 -1.183) 6.299 3.108 ( -10.676 0.000 -0.932) 10.716 3.377 ( -2.871 0.000 -1.514) 3.246 3.732 ( -2.829 0.000 1.815) 3.361 3.767 ( -0.200 0.000 3.412) 3.418 3.916 ( -5.831 0.000 -2.103) 6.199 3.954 ( 4.455 0.000 2.182) 4.961 4.074 ( -3.385 0.000 -1.433) 3.676 4.182 ( 3.099 0.000 4.030) 5.084 4.660 ( 1.559 0.000 -0.106) 1.562 5.193 ( -12.946 0.000 1.031) 12.987 5.659 ( -13.062 0.000 -2.117) 13.232 6.232 ( 0.544 0.000 -8.066) 8.085 6.509 ( -3.779 0.000 -4.001) 5.504 6.704 ( -0.808 0.000 -0.350) 0.881 6.798 ( -7.362 0.000 8.460) 11.215 6.798 ( -3.380 0.000 -4.478) 5.611 7.223 ( -3.351 0.000 -2.038) 3.922 7.731 ( 0.753 0.000 -0.887) 1.164 7.872 ( 7.049 0.000 -4.438) 8.330 7.956 ( 7.503 0.000 5.073) 9.057 8.039 ( 13.948 0.000 -2.867) 14.240 8.451 ( -7.532 0.000 0.292) 7.538 8.590 ( 6.681 0.000 13.550) 15.107 8.697 ( -2.010 0.000 13.189) 13.341 8.988 ( -6.678 0.000 -3.007) 7.324 9.104 ( 3.495 0.000 -1.212) 3.699 9.395 ( 0.527 0.000 0.063) 0.530 9.659 ( 2.610 0.000 -0.678) 2.696 9.659 ( 3.856 0.000 -13.752) 14.282 9.765 ( 1.730 0.000 -2.708) 3.214 9.883 ( 1.760 0.000 1.887) 2.581 10.365 ( -0.078 0.000 9.984) 9.984 11.010 ( 6.159 0.000 4.965) 7.911 11.019 ( -11.310 0.000 -7.778) 13.727 11.154 ( 1.224 0.000 10.574) 10.645 11.393 ( -6.686 0.000 0.119) 6.687 12.129 ( -5.439 0.000 -6.827) 8.728 12.478 ( 4.214 0.000 -7.749) 8.821 12.917 ( -6.632 0.000 3.273) 7.395 14.027 ( 20.912 0.000 -1.491) 20.966 15.110 ( 6.413 0.000 8.259) 10.456 15.281 ( -3.614 0.000 -4.780) 5.992 15.803 ( -2.066 0.000 -0.722) 2.189 16.069 ( 0.669 0.000 -3.154) 3.224 16.136 ( 0.702 0.000 3.160) 3.237 16.459 ( -3.288 0.000 -15.261) 15.612 16.487 ( -1.816 0.000 1.758) 2.528 16.766 ( 3.865 0.000 -0.132) 3.867 17.235 ( 16.762 0.000 -11.809) 20.504 18.110 ( -5.785 0.000 30.617) 31.159 20.027 ( -12.901 0.000 -10.593) 16.693 ======================= Grid point 3 (4/170) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 17.083 0.000 1.193) 17.125 1.413 ( 20.257 0.000 12.537) 23.823 2.009 ( -14.352 0.000 -1.724) 14.455 2.024 ( 5.603 0.000 -5.667) 7.970 2.382 ( 2.972 0.000 -7.571) 8.134 2.407 ( -1.329 0.000 -2.928) 3.216 2.643 ( -7.956 0.000 2.534) 8.350 2.736 ( 5.392 0.000 8.536) 10.096 2.793 ( -11.912 0.000 -1.220) 11.974 3.042 ( -5.322 0.000 0.952) 5.407 3.332 ( -1.652 0.000 0.670) 1.783 3.616 ( -7.803 0.000 -7.273) 10.667 3.824 ( 3.699 0.000 2.712) 4.587 3.862 ( -1.978 0.000 7.249) 7.514 4.020 ( 5.241 0.000 -5.439) 7.553 4.095 ( -0.644 0.000 12.433) 12.450 4.293 ( 4.148 0.000 4.968) 6.472 4.703 ( 3.163 0.000 0.744) 3.249 5.006 ( -11.068 0.000 1.102) 11.123 5.407 ( -14.103 0.000 -2.255) 14.282 6.097 ( -2.881 0.000 -11.005) 11.375 6.387 ( -3.483 0.000 -4.506) 5.695 6.690 ( -1.105 0.000 -0.149) 1.115 6.766 ( 0.845 0.000 1.206) 1.473 6.850 ( -4.204 0.000 13.323) 13.971 7.148 ( -0.971 0.000 -3.768) 3.891 7.737 ( 1.292 0.000 -0.097) 1.296 7.918 ( 4.481 0.000 -3.115) 5.457 8.067 ( 1.495 0.000 2.251) 2.703 8.211 ( 9.314 0.000 -2.981) 9.779 8.258 ( -10.953 0.000 -1.597) 11.069 8.679 ( -15.484 0.000 -6.637) 16.846 8.782 ( -2.335 0.000 1.861) 2.986 8.928 ( 11.288 0.000 14.011) 17.993 9.195 ( 6.629 0.000 0.139) 6.630 9.436 ( 1.952 0.000 0.446) 2.002 9.587 ( 2.643 0.000 -7.633) 8.078 9.684 ( 3.897 0.000 -1.619) 4.220 9.818 ( 6.007 0.000 -1.295) 6.145 9.982 ( 4.361 0.000 5.923) 7.355 10.463 ( -0.689 0.000 6.862) 6.897 10.730 ( -10.519 0.000 -11.118) 15.305 11.123 ( -0.240 0.000 5.835) 5.840 11.264 ( -9.378 0.000 1.460) 9.491 11.392 ( 11.418 0.000 13.900) 17.988 11.946 ( -6.054 0.000 -8.906) 10.769 12.421 ( 1.108 0.000 -9.914) 9.975 12.879 ( -3.464 0.000 4.010) 5.299 14.378 ( 21.782 0.000 0.920) 21.801 15.168 ( -3.607 0.000 -4.364) 5.661 15.267 ( 3.588 0.000 4.731) 5.938 15.739 ( -1.678 0.000 -4.755) 5.042 16.060 ( 0.976 0.000 -1.035) 1.423 16.102 ( -7.069 0.000 0.195) 7.072 16.264 ( -2.048 0.000 -11.513) 11.694 16.485 ( -1.356 0.000 0.825) 1.587 16.950 ( 13.790 0.000 8.024) 15.955 17.383 ( 15.383 0.000 -9.722) 18.198 18.332 ( -6.302 0.000 26.371) 27.113 19.642 ( -16.696 0.000 -13.817) 21.672 ======================= Grid point 4 (5/170) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 3.973 0.000 -7.191) 8.216 1.704 ( -7.852 0.000 2.604) 8.272 1.919 ( 1.065 0.000 -11.785) 11.833 1.959 ( 16.732 0.000 8.366) 18.708 2.365 ( 0.970 0.000 -3.708) 3.833 2.376 ( -0.030 0.000 -1.344) 1.344 2.527 ( -6.781 0.000 1.988) 7.067 2.612 ( -10.268 0.000 0.732) 10.294 2.856 ( -2.169 0.000 6.390) 6.749 2.945 ( -5.132 0.000 -1.604) 5.377 3.337 ( -0.126 0.000 2.227) 2.230 3.343 ( -11.632 0.000 -11.274) 16.199 3.929 ( 3.021 0.000 4.815) 5.684 4.037 ( 8.221 0.000 11.186) 13.882 4.073 ( 6.061 0.000 -2.576) 6.586 4.232 ( 0.891 0.000 10.375) 10.413 4.422 ( 4.655 0.000 4.865) 6.733 4.770 ( 3.865 0.000 0.049) 3.865 4.856 ( -8.299 0.000 1.122) 8.374 5.156 ( -12.509 0.000 -2.943) 12.851 5.929 ( -3.397 0.000 -8.637) 9.281 6.308 ( -2.074 0.000 -1.775) 2.730 6.662 ( -2.596 0.000 1.156) 2.842 6.816 ( 2.562 0.000 1.313) 2.879 6.886 ( -4.488 0.000 5.034) 6.744 7.143 ( 2.515 0.000 0.917) 2.677 7.782 ( 3.501 0.000 1.248) 3.717 7.963 ( 3.845 0.000 -1.030) 3.981 8.067 ( -1.947 0.000 -3.505) 4.009 8.098 ( -6.953 0.000 2.499) 7.389 8.225 ( -6.670 0.000 -2.506) 7.125 8.357 ( -5.284 0.000 -10.287) 11.565 8.774 ( -1.875 0.000 0.963) 2.108 9.179 ( 4.334 0.000 4.429) 6.197 9.340 ( 9.843 0.000 3.516) 10.452 9.462 ( 1.431 0.000 -0.634) 1.565 9.579 ( 3.545 0.000 -3.096) 4.706 9.761 ( 3.632 0.000 3.326) 4.925 9.894 ( 3.633 0.000 -0.254) 3.642 10.156 ( 7.808 0.000 7.082) 10.541 10.443 ( -8.268 0.000 -11.758) 14.374 10.490 ( -1.632 0.000 2.109) 2.667 11.134 ( -8.618 0.000 2.267) 8.911 11.157 ( -2.094 0.000 4.546) 5.005 11.739 ( -6.554 0.000 -9.013) 11.143 11.766 ( 13.140 0.000 13.113) 18.563 12.310 ( -0.870 0.000 -9.079) 9.121 12.874 ( -2.237 0.000 2.884) 3.650 14.741 ( 19.175 0.000 2.070) 19.286 15.073 ( -3.059 0.000 -2.563) 3.991 15.348 ( 2.388 0.000 2.424) 3.403 15.663 ( -0.074 0.000 -5.300) 5.300 15.936 ( -11.298 0.000 -1.767) 11.436 16.065 ( 1.433 0.000 -2.835) 3.177 16.138 ( -2.371 0.000 -3.700) 4.395 16.459 ( -1.513 0.000 -0.543) 1.607 17.341 ( 17.504 0.000 12.496) 21.507 17.510 ( 10.873 0.000 -6.695) 12.769 18.485 ( -5.038 0.000 17.812) 18.511 19.196 ( -17.358 0.000 -14.456) 22.590 ======================= Grid point 5 (6/170) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 2.747 0.000 -3.905) 4.774 1.580 ( -4.897 0.000 0.225) 4.902 1.776 ( -4.749 0.000 -6.525) 8.070 2.347 ( -0.988 0.000 -0.231) 1.015 2.371 ( 16.907 0.000 5.058) 17.647 2.389 ( 5.104 0.000 -1.105) 5.222 2.492 ( -6.476 0.000 1.909) 6.751 2.506 ( -0.764 0.000 4.803) 4.864 2.809 ( -8.791 0.000 0.860) 8.833 2.859 ( -2.344 0.000 -1.500) 2.783 3.043 ( -7.319 0.000 -8.447) 11.177 3.361 ( 0.180 0.000 1.248) 1.261 4.014 ( 1.750 0.000 2.034) 2.683 4.134 ( 2.758 0.000 -0.567) 2.816 4.252 ( 4.254 0.000 5.038) 6.594 4.331 ( 0.740 0.000 4.009) 4.077 4.544 ( 3.665 0.000 3.129) 4.819 4.749 ( -2.629 0.000 -0.963) 2.800 4.837 ( 1.070 0.000 1.322) 1.701 4.954 ( -6.800 0.000 -2.352) 7.195 5.815 ( -1.592 0.000 -3.369) 3.727 6.273 ( -0.746 0.000 -0.386) 0.840 6.640 ( -1.200 0.000 0.686) 1.382 6.853 ( -1.783 0.000 0.221) 1.797 6.860 ( 1.152 0.000 0.552) 1.277 7.204 ( 1.633 0.000 1.562) 2.260 7.870 ( 3.906 0.000 2.704) 4.751 7.966 ( -2.394 0.000 -2.616) 3.546 7.967 ( -3.302 0.000 -3.466) 4.787 8.059 ( -2.085 0.000 0.932) 2.284 8.112 ( -1.238 0.000 4.618) 4.782 8.236 ( -0.964 0.000 -7.602) 7.663 8.753 ( -0.850 0.000 -0.076) 0.853 9.239 ( 1.630 0.000 -0.034) 1.631 9.472 ( 0.654 0.000 -0.473) 0.807 9.499 ( 3.678 0.000 1.795) 4.093 9.612 ( 1.850 0.000 -0.371) 1.887 9.866 ( 2.322 0.000 5.367) 5.848 9.929 ( 0.961 0.000 -0.070) 0.964 10.220 ( -4.001 0.000 -7.818) 8.782 10.352 ( 5.420 0.000 4.404) 6.984 10.478 ( -0.795 0.000 0.215) 0.824 11.039 ( -4.490 0.000 0.923) 4.584 11.166 ( -0.948 0.000 1.675) 1.925 11.567 ( -3.406 0.000 -4.578) 5.705 12.042 ( 5.818 0.000 5.561) 8.049 12.219 ( -0.695 0.000 -3.781) 3.844 12.864 ( -1.226 0.000 0.776) 1.451 14.998 ( 8.166 0.000 0.740) 8.200 15.016 ( -1.301 0.000 -0.836) 1.547 15.445 ( 6.560 0.000 2.925) 7.183 15.625 ( 0.329 0.000 -2.058) 2.084 15.713 ( -11.327 0.000 -2.874) 11.686 16.031 ( 0.252 0.000 -3.297) 3.307 16.111 ( -0.759 0.000 1.171) 1.395 16.435 ( -0.598 0.000 -0.298) 0.668 17.582 ( 3.895 0.000 -2.431) 4.592 17.719 ( 10.621 0.000 8.149) 13.387 18.563 ( -1.937 0.000 6.312) 6.603 18.809 ( -10.438 0.000 -8.684) 13.578 ======================= Grid point 11 (7/170) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.000 24.028 0.000) 24.028 0.583 ( 0.000 27.182 0.000) 27.182 0.946 ( 0.000 43.285 0.000) 43.285 2.036 ( 0.000 0.600 0.000) 0.600 2.596 ( 0.000 -3.955 0.000) 3.955 2.603 ( 0.000 -5.113 0.000) 5.113 2.651 ( 0.000 -2.119 0.000) 2.119 2.760 ( 0.000 1.872 0.000) 1.872 3.099 ( 0.000 5.428 0.000) 5.428 3.350 ( 0.000 -4.508 0.000) 4.508 3.497 ( 0.000 -3.949 0.000) 3.949 3.689 ( 0.000 -0.295 0.000) 0.295 3.695 ( 0.000 -3.918 0.000) 3.918 3.955 ( 0.000 3.648 0.000) 3.648 4.056 ( 0.000 -0.445 0.000) 0.445 4.091 ( 0.000 -0.657 0.000) 0.657 4.142 ( 0.000 0.672 0.000) 0.672 4.613 ( 0.000 -6.654 0.000) 6.654 5.475 ( 0.000 0.179 0.000) 0.179 5.861 ( 0.000 -6.834 0.000) 6.834 6.224 ( 0.000 -3.935 0.000) 3.935 6.382 ( 0.000 -11.829 0.000) 11.829 6.789 ( 0.000 2.421 0.000) 2.421 7.045 ( 0.000 -6.273 0.000) 6.273 7.290 ( 0.000 -3.163 0.000) 3.163 7.312 ( 0.000 -1.298 0.000) 1.298 7.412 ( 0.000 -0.759 0.000) 0.759 7.577 ( 0.000 0.705 0.000) 0.705 7.733 ( 0.000 -2.595 0.000) 2.595 7.802 ( 0.000 -1.091 0.000) 1.091 8.259 ( 0.000 6.019 0.000) 6.019 8.382 ( 0.000 -2.550 0.000) 2.550 8.606 ( 0.000 -2.666 0.000) 2.666 8.953 ( 0.000 -0.989 0.000) 0.989 9.347 ( 0.000 0.977 0.000) 0.977 9.449 ( 0.000 5.137 0.000) 5.137 9.582 ( 0.000 6.296 0.000) 6.296 9.589 ( 0.000 -1.335 0.000) 1.335 9.957 ( 0.000 0.256 0.000) 0.256 9.989 ( 0.000 5.616 0.000) 5.616 10.360 ( 0.000 4.969 0.000) 4.969 10.626 ( 0.000 -0.735 0.000) 0.735 10.951 ( 0.000 -4.692 0.000) 4.692 11.362 ( 0.000 -4.961 0.000) 4.961 11.515 ( 0.000 3.748 0.000) 3.748 12.410 ( 0.000 1.607 0.000) 1.607 12.418 ( 0.000 2.084 0.000) 2.084 13.041 ( 0.000 -6.038 0.000) 6.038 13.672 ( 0.000 7.653 0.000) 7.653 14.852 ( 0.000 3.176 0.000) 3.176 15.361 ( 0.000 -4.273 0.000) 4.273 15.719 ( 0.000 -6.955 0.000) 6.955 16.147 ( 0.000 4.105 0.000) 4.105 16.200 ( 0.000 -0.202 0.000) 0.202 16.549 ( 0.000 1.896 0.000) 1.896 16.797 ( 0.000 -1.295 0.000) 1.295 16.823 ( 0.000 5.312 0.000) 5.312 17.181 ( 0.000 12.739 0.000) 12.739 17.694 ( 0.000 -5.593 0.000) 5.593 20.264 ( 0.000 -10.442 0.000) 10.442 ======================= Grid point 12 (8/170) ======================= q-point: ( 0.09 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 13.797 20.741 4.525) 25.318 0.813 ( 13.681 20.005 11.156) 26.680 1.194 ( 21.595 28.147 13.488) 37.955 2.152 ( 8.405 0.221 7.032) 10.961 2.466 ( -0.728 -5.438 -12.523) 13.672 2.553 ( -9.792 1.615 1.459) 10.031 2.717 ( 0.335 -5.200 4.083) 6.620 2.742 ( 0.140 3.308 -2.082) 3.911 3.078 ( -2.249 3.560 0.265) 4.220 3.313 ( -6.527 -2.754 -0.848) 7.135 3.401 ( -5.540 -5.625 -4.311) 8.995 3.660 ( -2.069 -4.307 1.081) 4.899 3.750 ( -0.943 -0.482 7.521) 7.595 3.925 ( 0.176 1.235 -3.670) 3.876 4.023 ( -2.566 0.655 -2.147) 3.409 4.085 ( -1.408 -2.034 0.561) 2.537 4.189 ( 3.449 4.342 1.870) 5.851 4.607 ( 0.411 -6.048 -1.404) 6.223 5.392 ( -9.351 0.528 0.012) 9.366 5.788 ( -7.368 -6.226 -1.695) 9.794 6.211 ( 0.504 -4.788 -2.510) 5.429 6.394 ( 0.113 -10.432 1.529) 10.544 6.772 ( -3.281 1.080 1.931) 3.957 6.885 ( -8.166 -6.721 -8.310) 13.450 7.041 ( -9.721 3.439 -7.065) 12.500 7.333 ( -4.623 2.186 1.168) 5.246 7.591 ( 12.962 -5.107 3.113) 14.275 7.724 ( 2.952 -2.678 -1.485) 4.254 7.747 ( 8.719 -2.726 0.803) 9.170 7.871 ( 8.770 -1.158 -0.717) 8.875 8.316 ( 3.217 2.027 7.672) 8.563 8.503 ( 1.322 -1.229 13.840) 13.957 8.586 ( -2.806 -1.857 1.394) 3.642 8.969 ( 0.031 -1.341 1.814) 2.256 9.249 ( -2.153 6.037 -3.280) 7.200 9.490 ( -2.905 2.922 -3.726) 5.555 9.562 ( 6.930 1.171 -0.365) 7.038 9.693 ( 5.426 2.045 1.305) 5.944 9.876 ( -2.025 2.377 -8.412) 8.973 9.992 ( -0.964 6.609 -0.701) 6.715 10.285 ( -4.075 1.210 1.949) 4.677 10.774 ( 7.156 -1.377 7.438) 10.413 10.981 ( -0.497 -4.639 6.254) 7.802 11.262 ( -6.428 -2.712 -5.940) 9.163 11.526 ( -0.584 4.821 0.821) 4.925 12.290 ( -6.182 1.279 -3.319) 7.132 12.488 ( 4.847 2.043 -3.429) 6.279 12.966 ( -7.880 -4.917 1.443) 9.400 13.808 ( 15.561 7.000 -1.488) 17.128 14.938 ( 5.229 2.571 6.493) 8.724 15.352 ( 0.628 -2.143 -2.974) 3.719 15.710 ( -1.231 -7.312 0.375) 7.425 16.144 ( -1.528 0.196 -2.157) 2.651 16.190 ( 2.206 4.331 0.527) 4.889 16.476 ( -4.183 -2.751 -5.398) 7.362 16.739 ( -2.973 4.899 0.649) 5.767 16.904 ( 4.726 11.773 -4.568) 13.484 17.115 ( 7.731 2.353 -15.280) 17.286 17.830 ( -4.052 -3.796 26.014) 26.600 20.174 ( -6.971 -10.328 -5.574) 13.650 ======================= Grid point 13 (9/170) ======================= q-point: ( 0.18 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 16.452 13.446 6.107) 22.108 1.146 ( 15.540 16.376 7.746) 23.868 1.770 ( 23.567 10.702 13.171) 29.042 2.269 ( -8.880 -1.215 -8.770) 12.540 2.380 ( 1.199 -0.452 -3.410) 3.643 2.441 ( 2.378 -1.678 11.444) 11.808 2.665 ( -1.934 4.097 -5.074) 6.802 2.737 ( -3.524 -0.477 -0.580) 3.603 3.046 ( -6.051 0.950 -1.192) 6.239 3.077 ( -10.492 -3.042 -1.265) 10.997 3.324 ( -2.651 -4.928 -0.349) 5.606 3.631 ( -3.297 -6.684 0.292) 7.459 3.804 ( -1.666 0.688 4.571) 4.914 3.899 ( -2.924 -1.340 1.087) 3.395 3.965 ( 1.007 1.074 -1.025) 1.793 4.054 ( -3.130 -0.618 1.847) 3.686 4.272 ( 4.099 6.120 1.161) 7.456 4.606 ( 1.496 -5.789 -0.933) 6.051 5.206 ( -12.416 1.071 0.597) 12.476 5.603 ( -11.939 -4.893 -1.809) 13.029 6.173 ( -0.263 -4.943 -6.081) 7.841 6.394 ( -0.066 -7.962 -3.076) 8.536 6.702 ( -2.914 -4.432 -3.265) 6.229 6.758 ( -4.569 -3.058 6.833) 8.771 6.858 ( -5.787 6.393 -2.521) 8.984 7.270 ( -3.694 3.417 -0.997) 5.130 7.691 ( -0.360 -3.905 -1.285) 4.127 7.809 ( 8.628 -8.107 -1.499) 11.933 7.849 ( 4.034 -4.202 -0.061) 5.826 8.065 ( 12.442 -0.780 -0.571) 12.479 8.462 ( -6.246 0.825 -0.263) 6.306 8.529 ( 2.449 -3.966 14.655) 15.379 8.731 ( 4.808 3.117 12.944) 14.156 8.966 ( -2.253 0.988 -1.393) 2.827 9.241 ( 2.611 7.403 -2.387) 8.205 9.405 ( -0.266 1.569 -4.977) 5.225 9.621 ( 5.748 0.695 -6.629) 8.802 9.756 ( 0.211 2.979 -3.890) 4.904 9.794 ( 3.359 5.404 -0.360) 6.373 9.958 ( -0.276 5.759 -0.084) 5.766 10.330 ( 0.749 -2.421 8.353) 8.729 10.892 ( -2.423 -6.978 2.044) 7.664 11.066 ( -6.121 -0.606 -7.175) 9.451 11.117 ( 5.336 0.321 12.044) 13.177 11.504 ( -2.668 8.896 1.008) 9.342 12.149 ( -4.731 2.069 -5.433) 7.496 12.493 ( 2.311 1.344 -6.299) 6.842 12.870 ( -6.056 -4.004 2.950) 7.836 14.099 ( 20.462 6.804 -0.593) 21.571 15.119 ( 5.423 1.048 7.460) 9.282 15.304 ( 0.002 1.924 -6.480) 6.760 15.686 ( -2.282 -7.570 0.264) 7.911 16.080 ( -0.416 -0.128 -4.334) 4.356 16.266 ( 0.057 5.225 0.733) 5.277 16.359 ( 3.149 -4.840 -5.685) 8.103 16.695 ( -3.872 12.809 0.296) 13.385 16.841 ( -1.072 10.654 -4.393) 11.574 17.186 ( 16.010 -4.786 -11.411) 20.235 18.070 ( -5.770 -3.810 29.634) 30.430 19.919 ( -12.836 -10.032 -10.322) 19.286 ======================= Grid point 14 (10/170) ======================= q-point: ( 0.27 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 12.678 7.620 2.899) 15.073 1.503 ( 16.291 8.140 8.193) 19.969 2.000 ( -10.429 0.998 -3.561) 11.065 2.092 ( 3.790 4.812 -7.468) 9.658 2.287 ( 0.925 -3.062 -4.508) 5.528 2.567 ( -1.225 3.805 -3.458) 5.286 2.594 ( -8.468 0.389 0.962) 8.531 2.703 ( 3.628 -2.572 6.219) 7.645 2.845 ( -8.087 4.049 1.214) 9.125 3.033 ( -4.605 -2.200 0.815) 5.168 3.295 ( -1.959 -3.300 2.255) 4.451 3.525 ( -7.026 -6.971 -4.347) 10.810 3.832 ( 3.155 0.124 1.817) 3.643 3.905 ( -1.399 2.249 8.665) 9.061 3.970 ( 2.620 -3.157 -3.682) 5.513 4.107 ( 0.385 1.383 10.789) 10.884 4.341 ( 2.821 3.101 1.118) 4.339 4.641 ( 3.029 -6.056 0.096) 6.772 5.024 ( -10.556 1.590 1.020) 10.723 5.378 ( -12.609 -2.776 -1.601) 13.010 6.056 ( -2.791 -3.379 -9.253) 10.239 6.337 ( -0.820 -4.292 -3.784) 5.780 6.695 ( 3.051 -4.002 -0.011) 5.032 6.768 ( -4.702 5.119 0.834) 7.000 6.819 ( -1.332 -4.205 11.378) 12.204 7.186 ( -3.458 3.555 -3.233) 5.920 7.660 ( -1.391 -6.582 -1.139) 6.823 7.859 ( 2.321 -6.044 -2.018) 6.781 7.923 ( 2.248 -9.228 0.185) 9.500 8.193 ( 4.385 -0.397 -2.257) 4.947 8.357 ( -5.140 5.286 1.502) 7.524 8.683 ( -2.779 -3.593 9.164) 10.228 8.823 ( -5.769 8.972 -8.361) 13.553 8.992 ( 9.678 4.638 10.500) 15.015 9.265 ( 5.232 5.178 -2.830) 7.886 9.392 ( 3.022 -3.279 -2.871) 5.303 9.630 ( 4.581 3.529 -7.006) 9.084 9.734 ( 2.018 4.364 -2.142) 5.264 9.877 ( 4.747 5.032 2.137) 7.240 10.021 ( 3.794 3.182 5.127) 7.128 10.429 ( -0.136 -3.166 6.696) 7.408 10.730 ( -9.530 -1.299 -7.929) 12.465 10.966 ( -3.214 -7.859 0.291) 8.495 11.302 ( -1.419 0.403 5.952) 6.132 11.559 ( 7.682 13.534 8.896) 17.926 12.015 ( -3.887 6.104 -6.028) 9.418 12.427 ( -0.081 0.795 -8.326) 8.364 12.834 ( -3.387 -3.973 4.006) 6.581 14.453 ( 21.588 6.742 1.202) 22.649 15.183 ( -3.459 2.161 -2.479) 4.772 15.277 ( 4.304 0.415 -0.789) 4.395 15.640 ( -2.769 -6.034 -0.815) 6.689 16.049 ( 1.541 1.072 -2.979) 3.521 16.166 ( -0.621 -2.754 -9.666) 10.070 16.395 ( -3.043 13.971 -1.398) 14.367 16.641 ( -4.283 13.276 3.524) 14.388 16.914 ( 11.292 -2.520 5.946) 13.008 17.328 ( 14.964 -4.966 -9.716) 18.520 18.280 ( -6.421 -4.732 25.508) 26.726 19.539 ( -16.663 -9.685 -13.505) 23.534 ======================= Grid point 15 (11/170) ======================= q-point: ( 0.36 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.986 3.994 -4.154) 5.846 1.708 ( -4.572 1.372 0.811) 4.842 1.936 ( 3.954 1.469 -4.556) 6.209 2.009 ( 9.530 4.168 -1.385) 10.494 2.297 ( 2.569 -2.646 -1.133) 3.858 2.443 ( -7.373 -2.089 -1.173) 7.753 2.506 ( -1.514 5.052 -3.176) 6.156 2.685 ( -9.881 3.937 4.601) 11.589 2.848 ( -0.125 0.068 3.091) 3.095 2.931 ( -5.090 -2.634 -2.938) 6.441 3.274 ( -6.520 -4.018 -2.949) 8.206 3.341 ( -4.933 -1.954 -1.281) 5.459 3.923 ( 2.572 -0.592 2.784) 3.837 4.019 ( 7.566 -4.268 0.552) 8.704 4.085 ( 5.809 2.704 11.843) 13.465 4.240 ( 1.438 1.518 8.978) 9.218 4.398 ( 2.539 -2.401 1.791) 3.927 4.689 ( 2.732 -7.061 -0.885) 7.622 4.881 ( -8.125 2.004 0.831) 8.410 5.165 ( -10.627 0.002 -1.717) 10.764 5.911 ( -2.742 -1.458 -7.260) 7.896 6.304 ( 0.403 -0.391 -1.461) 1.565 6.708 ( -3.595 4.103 1.120) 5.569 6.770 ( 4.170 -2.813 1.314) 5.199 6.921 ( -1.396 -1.633 8.278) 8.552 7.101 ( -1.519 -0.732 -3.093) 3.523 7.629 ( -0.552 -10.106 -1.105) 10.181 7.821 ( -4.355 -14.638 -2.904) 15.546 7.962 ( 1.586 -0.835 4.003) 4.385 8.194 ( 0.191 1.664 -3.576) 3.949 8.294 ( -3.663 8.755 0.369) 9.498 8.583 ( -4.658 13.517 -7.478) 16.135 8.759 ( -1.776 -0.120 2.294) 2.904 9.187 ( 3.876 1.598 2.331) 4.797 9.374 ( 7.398 0.765 1.675) 7.624 9.443 ( 5.936 -0.675 0.459) 5.992 9.627 ( 3.231 4.032 -3.958) 6.509 9.776 ( 3.794 2.343 -0.113) 4.461 9.957 ( 1.650 5.183 1.886) 5.757 10.177 ( 6.383 1.604 6.609) 9.327 10.429 ( -6.081 -0.538 -3.578) 7.076 10.523 ( -2.857 0.974 -2.762) 4.091 10.930 ( -3.174 -9.879 2.808) 10.749 11.262 ( -4.891 3.191 0.945) 5.916 11.776 ( 0.511 6.699 -0.944) 6.784 11.964 ( 5.999 13.303 6.019) 15.785 12.322 ( -0.984 1.354 -7.902) 8.078 12.835 ( -1.956 -3.597 3.422) 5.336 14.809 ( 18.419 5.856 1.635) 19.396 15.085 ( -2.817 1.928 -3.819) 5.122 15.329 ( 2.742 -1.668 0.287) 3.222 15.589 ( -2.678 -3.375 0.175) 4.312 16.035 ( 1.024 5.450 -6.389) 8.460 16.064 ( -0.775 -2.244 -6.394) 6.820 16.275 ( -6.894 14.510 0.459) 16.071 16.603 ( -3.842 12.172 1.483) 12.850 17.281 ( 17.184 -5.773 12.492) 22.015 17.450 ( 10.997 -5.349 -7.118) 14.150 18.422 ( -5.330 -5.646 17.309) 18.970 19.095 ( -17.467 -9.547 -14.264) 24.489 ======================= Grid point 16 (12/170) ======================= q-point: ( 0.45 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 3.332 5.654 -1.029) 6.643 1.602 ( -4.702 2.031 -1.288) 5.282 1.799 ( -5.183 1.873 -6.313) 8.380 2.302 ( 11.525 -3.832 1.887) 12.291 2.357 ( -1.696 -2.630 3.462) 4.667 2.376 ( 6.969 0.104 0.259) 6.975 2.448 ( -3.593 0.692 -0.757) 3.737 2.602 ( -5.690 4.418 2.109) 7.507 2.792 ( -3.914 -1.230 -1.023) 4.228 2.868 ( -1.327 1.000 -0.845) 1.864 3.054 ( -7.151 0.032 -5.358) 8.936 3.338 ( -0.267 -2.379 1.491) 2.820 3.986 ( 1.541 -2.391 1.629) 3.278 4.118 ( 3.182 -2.229 -0.143) 3.887 4.288 ( 3.669 2.650 6.200) 7.676 4.330 ( 0.651 0.963 3.138) 3.346 4.475 ( 3.357 -6.352 2.172) 7.506 4.696 ( 0.341 -9.285 -2.241) 9.558 4.780 ( -4.592 2.122 0.697) 5.107 5.018 ( -4.404 2.546 -0.858) 5.159 5.823 ( -1.030 0.474 -2.619) 2.854 6.306 ( 0.546 2.707 -0.244) 2.772 6.675 ( -1.527 3.296 0.682) 3.696 6.849 ( 3.724 0.050 0.678) 3.785 6.918 ( -3.603 3.861 0.625) 5.318 7.096 ( 0.953 -9.157 0.775) 9.239 7.625 ( 1.445 -12.494 -0.627) 12.593 7.703 ( -5.160 -15.206 -1.281) 16.108 8.046 ( 0.239 1.517 6.282) 6.467 8.130 ( -0.380 0.156 -4.867) 4.885 8.283 ( 1.531 15.216 -0.332) 15.296 8.447 ( -3.443 13.416 -4.002) 14.417 8.751 ( -0.864 -0.211 0.524) 1.032 9.233 ( 1.456 -0.100 -0.303) 1.490 9.445 ( 1.429 -2.975 0.245) 3.310 9.574 ( 4.272 5.358 1.459) 7.006 9.646 ( 1.668 3.326 -0.803) 3.806 9.850 ( 3.795 -0.599 2.233) 4.444 9.964 ( -2.107 4.093 -0.095) 4.605 10.263 ( -3.636 3.613 -4.793) 7.018 10.331 ( 3.905 -1.232 3.193) 5.192 10.508 ( -0.491 0.722 0.621) 1.071 10.926 ( -0.974 -7.377 2.147) 7.745 11.200 ( -2.342 2.098 -0.341) 3.162 11.680 ( -2.642 10.151 -3.486) 11.053 12.170 ( 4.040 10.122 6.502) 12.691 12.241 ( 0.236 2.428 -4.835) 5.416 12.836 ( -0.961 -2.560 1.204) 2.988 15.012 ( -1.195 0.927 2.296) 2.749 15.041 ( 6.522 2.397 -4.011) 8.023 15.424 ( 8.614 -0.931 0.494) 8.678 15.546 ( -5.760 -0.828 2.917) 6.509 15.920 ( -3.680 12.271 -5.619) 13.989 16.001 ( -0.435 -2.469 -2.519) 3.554 16.236 ( -0.750 10.768 1.432) 10.888 16.561 ( -1.827 11.097 0.273) 11.250 17.517 ( 3.841 -5.792 -2.222) 7.297 17.664 ( 11.084 -5.252 7.917) 14.599 18.492 ( -2.151 -6.215 6.306) 9.112 18.705 ( -10.754 -10.064 -8.894) 17.206 ======================= Grid point 22 (13/170) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 0.000 22.264 0.000) 22.264 1.128 ( 0.000 24.608 0.000) 24.608 1.777 ( 0.000 34.819 0.000) 34.819 2.047 ( 0.000 0.488 0.000) 0.488 2.478 ( 0.000 -6.755 0.000) 6.755 2.504 ( 0.000 -0.842 0.000) 0.842 2.705 ( 0.000 4.034 0.000) 4.034 2.785 ( 0.000 0.439 0.000) 0.439 3.139 ( 0.000 -1.657 0.000) 1.657 3.208 ( 0.000 -8.341 0.000) 8.341 3.403 ( 0.000 -5.330 0.000) 5.330 3.558 ( 0.000 -8.983 0.000) 8.983 3.663 ( 0.000 -2.024 0.000) 2.024 3.962 ( 0.000 -8.585 0.000) 8.585 4.055 ( 0.000 5.437 0.000) 5.437 4.096 ( 0.000 3.559 0.000) 3.559 4.230 ( 0.000 4.972 0.000) 4.972 4.445 ( 0.000 -7.965 0.000) 7.965 5.458 ( 0.000 -2.161 0.000) 2.161 5.675 ( 0.000 -10.084 0.000) 10.084 6.130 ( 0.000 -4.421 0.000) 4.421 6.139 ( 0.000 -10.344 0.000) 10.344 6.807 ( 0.000 -0.460 0.000) 0.460 6.886 ( 0.000 -7.268 0.000) 7.268 7.243 ( 0.000 -2.097 0.000) 2.097 7.293 ( 0.000 0.005 0.000) 0.005 7.383 ( 0.000 -2.240 0.000) 2.240 7.547 ( 0.000 -3.075 0.000) 3.075 7.658 ( 0.000 -4.392 0.000) 4.392 7.744 ( 0.000 -4.672 0.000) 4.672 8.325 ( 0.000 -2.051 0.000) 2.051 8.382 ( 0.000 3.661 0.000) 3.661 8.569 ( 0.000 0.908 0.000) 0.908 8.928 ( 0.000 -1.153 0.000) 1.153 9.373 ( 0.000 0.960 0.000) 0.960 9.485 ( 0.000 -4.199 0.000) 4.199 9.633 ( 0.000 7.239 0.000) 7.239 9.732 ( 0.000 7.193 0.000) 7.193 9.987 ( 0.000 2.662 0.000) 2.662 10.086 ( 0.000 2.674 0.000) 2.674 10.516 ( 0.000 8.969 0.000) 8.969 10.609 ( 0.000 -0.706 0.000) 0.706 10.831 ( 0.000 -5.816 0.000) 5.816 11.216 ( 0.000 -8.305 0.000) 8.305 11.639 ( 0.000 8.304 0.000) 8.304 12.429 ( 0.000 -0.671 0.000) 0.671 12.494 ( 0.000 4.876 0.000) 4.876 12.906 ( 0.000 -6.134 0.000) 6.134 13.903 ( 0.000 14.234 0.000) 14.234 14.950 ( 0.000 6.140 0.000) 6.140 15.245 ( 0.000 -7.841 0.000) 7.841 15.585 ( 0.000 -4.993 0.000) 4.993 16.114 ( 0.000 -5.409 0.000) 5.409 16.189 ( 0.000 -1.037 0.000) 1.037 16.578 ( 0.000 0.347 0.000) 0.347 16.752 ( 0.000 -3.057 0.000) 3.057 16.938 ( 0.000 5.569 0.000) 5.569 17.537 ( 0.000 -8.832 0.000) 8.832 17.640 ( 0.000 28.861 0.000) 28.861 19.955 ( 0.000 -18.623 0.000) 18.623 ======================= Grid point 23 (14/170) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 10.639 20.011 5.740) 23.379 1.226 ( 8.905 20.582 7.225) 23.561 1.841 ( 7.507 29.309 0.440) 30.259 2.145 ( 7.339 -1.008 6.020) 9.545 2.381 ( 0.076 -2.326 -9.108) 9.401 2.593 ( -4.055 -2.655 7.699) 9.098 2.640 ( -3.454 3.702 -1.572) 5.302 2.778 ( -0.427 0.260 0.155) 0.524 3.098 ( -2.935 -2.421 -2.490) 4.547 3.201 ( -2.071 -8.094 1.371) 8.466 3.268 ( -8.457 -6.181 -7.630) 12.960 3.541 ( -2.438 -6.526 0.404) 6.979 3.720 ( -0.556 -2.168 8.547) 8.835 3.951 ( -1.860 -1.833 -1.618) 3.072 3.993 ( -2.286 -1.367 0.102) 2.665 4.094 ( -2.831 4.281 0.720) 5.183 4.288 ( 5.223 3.794 0.764) 6.500 4.448 ( 1.240 -7.431 -1.697) 7.723 5.389 ( -7.773 -1.265 -0.307) 7.881 5.617 ( -5.714 -9.363 -1.605) 11.085 6.090 ( -1.727 -6.185 -0.006) 6.422 6.191 ( 3.734 -8.015 -0.910) 8.889 6.734 ( -7.755 -6.565 -6.999) 12.338 6.752 ( -5.911 -2.500 0.164) 6.420 7.120 ( -5.817 3.680 -3.496) 7.720 7.352 ( -3.195 -0.801 2.550) 4.166 7.484 ( 10.488 -4.242 1.177) 11.374 7.631 ( -1.486 -5.532 0.333) 5.738 7.672 ( 8.589 -4.197 0.888) 9.601 7.807 ( 7.726 -5.094 -0.341) 9.260 8.343 ( 1.039 0.694 6.203) 6.328 8.476 ( 1.907 -1.895 3.817) 4.669 8.596 ( 2.242 3.790 6.499) 7.850 8.954 ( 1.653 -0.310 2.065) 2.663 9.331 ( -1.639 1.219 -2.261) 3.047 9.488 ( 4.035 -3.231 -7.021) 8.719 9.671 ( 3.838 8.203 -0.825) 9.094 9.764 ( 2.131 4.785 2.286) 5.715 9.954 ( -0.742 4.392 -3.401) 5.604 10.102 ( 1.097 2.813 0.061) 3.021 10.360 ( -7.576 5.651 -2.629) 9.810 10.748 ( 2.085 -2.578 4.627) 5.693 10.897 ( 3.858 -1.723 9.145) 10.074 11.162 ( -1.502 -6.113 -6.206) 8.840 11.666 ( 2.352 8.659 0.519) 8.988 12.325 ( -5.459 1.357 -4.081) 6.950 12.541 ( 1.642 2.799 0.259) 3.255 12.853 ( -5.888 -5.177 1.151) 7.924 14.027 ( 13.933 13.644 -0.375) 19.505 15.017 ( 4.731 4.759 3.812) 7.718 15.282 ( 4.486 -5.630 -0.476) 7.214 15.576 ( 0.096 -4.631 -2.122) 5.095 16.108 ( -2.390 -4.004 1.244) 4.826 16.176 ( 2.863 -3.330 -3.508) 5.620 16.439 ( -6.091 -0.598 -8.596) 10.552 16.826 ( 3.472 -0.519 2.173) 4.129 16.983 ( 7.962 2.257 -4.732) 9.533 17.425 ( -2.550 16.368 -9.300) 18.998 17.778 ( -4.714 4.951 23.951) 24.908 19.869 ( -6.873 -18.443 -5.173) 20.351 ======================= Grid point 24 (15/170) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 8.628 16.751 5.162) 19.537 1.503 ( 10.969 16.661 6.272) 20.911 2.029 ( 14.220 11.662 -0.930) 18.414 2.256 ( -4.172 1.149 -8.614) 9.640 2.372 ( 7.967 -2.300 4.606) 9.486 2.463 ( -10.669 3.627 4.320) 12.069 2.626 ( -1.111 -3.012 -2.781) 4.247 2.789 ( -0.624 1.961 1.256) 2.411 2.981 ( -7.395 -5.852 -1.910) 9.622 3.062 ( -6.579 0.348 -2.323) 6.986 3.180 ( -2.301 -8.293 2.269) 8.900 3.486 ( -3.883 -6.648 -1.472) 7.839 3.799 ( -2.039 -0.941 8.314) 8.612 3.875 ( -2.553 0.473 -1.941) 3.242 4.017 ( -0.514 1.329 3.215) 3.517 4.035 ( -3.211 0.713 2.643) 4.220 4.379 ( 4.259 3.064 -0.276) 5.254 4.442 ( 1.104 -8.512 -2.001) 8.813 5.222 ( -11.008 0.050 -0.190) 11.010 5.469 ( -9.268 -7.425 -1.732) 12.001 6.066 ( -0.548 -4.461 -2.496) 5.141 6.222 ( 1.906 -7.817 -2.401) 8.397 6.585 ( -0.658 -5.496 -4.642) 7.224 6.670 ( -5.267 -5.248 3.463) 8.202 6.995 ( -5.561 6.097 -1.866) 8.460 7.325 ( -3.308 1.099 1.317) 3.726 7.588 ( -2.672 -5.070 -0.815) 5.788 7.608 ( 4.847 -9.100 -1.444) 10.411 7.780 ( 4.043 -3.132 0.291) 5.122 7.987 ( 10.801 -6.041 1.262) 12.440 8.476 ( -2.966 0.750 4.906) 5.782 8.489 ( 3.008 0.252 8.354) 8.883 8.809 ( 8.931 4.058 11.206) 14.892 9.017 ( 3.487 2.784 0.121) 4.464 9.292 ( 1.095 -1.125 -4.030) 4.325 9.457 ( 4.910 0.301 -11.812) 12.795 9.692 ( 2.155 6.126 -3.140) 7.213 9.851 ( 4.768 6.099 0.713) 7.775 9.923 ( -0.597 5.847 0.703) 5.920 10.077 ( -2.009 4.649 -1.468) 5.273 10.301 ( -0.275 0.494 3.537) 3.582 10.748 ( -5.558 -6.633 2.437) 8.990 11.019 ( -2.287 -1.845 -4.445) 5.329 11.152 ( 6.972 1.215 7.482) 10.299 11.720 ( 3.981 11.277 0.813) 11.987 12.212 ( -2.597 3.285 -3.208) 5.275 12.529 ( -1.737 1.852 -2.001) 3.233 12.776 ( -5.370 -4.534 2.203) 7.365 14.308 ( 19.575 12.862 -0.083) 23.423 15.148 ( 5.226 1.177 3.097) 6.188 15.351 ( 5.205 2.007 -4.322) 7.057 15.540 ( -1.595 -5.640 -1.138) 5.971 16.072 ( -0.746 -0.963 -0.905) 1.518 16.203 ( 2.396 -6.884 -10.273) 12.596 16.315 ( 4.277 -1.387 1.858) 4.865 16.882 ( -0.190 2.315 2.975) 3.774 17.062 ( 7.768 -0.901 -6.417) 10.115 17.278 ( -2.952 23.992 -7.502) 25.310 17.974 ( -6.392 -3.873 26.649) 27.678 19.622 ( -12.737 -17.983 -9.625) 24.047 ======================= Grid point 25 (16/170) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 2.051 9.047 5.064) 10.569 1.726 ( 10.857 12.073 1.062) 16.271 2.061 ( -6.945 4.814 -5.194) 9.918 2.189 ( 6.812 3.830 -11.973) 14.298 2.253 ( -5.949 -1.288 -0.960) 6.162 2.483 ( -4.391 -4.626 -0.486) 6.397 2.618 ( 1.668 -3.667 2.318) 4.648 2.755 ( -1.386 5.910 -1.683) 6.299 2.925 ( -2.039 -2.579 2.141) 3.923 2.955 ( -5.680 1.198 0.023) 5.805 3.202 ( -1.717 -5.351 6.845) 8.856 3.369 ( -6.577 -7.192 -3.704) 10.426 3.812 ( 1.824 -1.185 -0.488) 2.229 3.911 ( -0.199 -0.683 7.770) 7.802 3.963 ( -1.504 2.126 1.543) 3.027 4.146 ( 1.699 1.932 10.852) 11.153 4.378 ( -0.527 -0.978 -2.697) 2.916 4.480 ( 3.196 -7.503 0.046) 8.156 5.051 ( -9.579 0.479 0.339) 9.597 5.293 ( -9.778 -5.189 -1.111) 11.125 5.988 ( -2.455 -2.345 -6.328) 7.182 6.231 ( 2.683 -5.180 -0.961) 5.913 6.599 ( 4.243 -4.707 -0.515) 6.359 6.679 ( 0.617 -8.292 4.570) 9.488 6.897 ( -5.406 6.423 0.661) 8.421 7.266 ( -4.204 2.999 -0.797) 5.226 7.525 ( -3.316 -5.045 -1.161) 6.148 7.616 ( -1.195 -11.874 -2.483) 12.189 7.856 ( 2.725 -1.080 4.045) 4.995 8.136 ( 6.310 -4.830 -0.163) 7.948 8.466 ( -1.401 5.030 2.195) 5.664 8.633 ( -0.439 -0.401 9.981) 9.999 9.028 ( 1.001 8.395 -5.933) 10.329 9.095 ( 10.743 4.647 8.740) 14.608 9.279 ( 3.416 -3.383 -4.310) 6.456 9.402 ( 4.898 3.300 -10.739) 12.256 9.705 ( 3.327 3.433 -3.605) 5.987 9.843 ( 0.063 5.292 -2.869) 6.020 10.003 ( 3.760 6.288 4.718) 8.715 10.092 ( 2.706 3.320 2.879) 5.161 10.360 ( 0.227 -2.449 5.238) 5.787 10.637 ( -8.594 -6.434 -0.696) 10.758 10.910 ( -0.974 2.262 -7.150) 7.563 11.308 ( 0.517 -0.128 5.231) 5.258 11.855 ( 8.389 13.915 5.069) 17.021 12.168 ( 0.686 7.441 -2.128) 7.770 12.454 ( -3.085 1.594 -3.531) 4.953 12.731 ( -3.737 -5.413 3.532) 7.466 14.646 ( 20.628 11.224 0.342) 23.486 15.231 ( 1.087 -0.459 1.678) 2.051 15.304 ( 1.215 4.417 -11.523) 12.400 15.536 ( -0.989 -3.124 4.116) 5.261 16.058 ( 0.627 -5.321 -7.033) 8.841 16.121 ( 5.689 4.306 -6.276) 9.502 16.551 ( 10.836 -2.655 9.349) 14.556 16.888 ( -1.075 3.177 1.060) 3.518 17.027 ( -6.691 16.062 0.847) 17.420 17.243 ( 10.253 2.946 -9.811) 14.493 18.146 ( -6.936 -7.631 23.280) 25.462 19.250 ( -16.753 -17.481 -12.739) 27.359 ======================= Grid point 26 (17/170) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -4.082 4.474 2.705) 6.632 1.774 ( -2.575 4.423 -4.957) 7.125 1.994 ( 0.558 3.907 -6.588) 7.680 2.100 ( 7.088 4.441 -2.926) 8.862 2.257 ( -0.094 -1.458 0.510) 1.547 2.391 ( -2.003 -2.647 -3.583) 4.884 2.592 ( -6.118 0.182 0.963) 6.196 2.738 ( -1.367 3.355 0.494) 3.656 2.824 ( -5.052 -4.616 -4.339) 8.103 2.929 ( -1.257 5.057 1.445) 5.408 3.174 ( -7.527 -5.395 -3.136) 9.777 3.269 ( -2.864 -4.408 4.416) 6.865 3.900 ( 5.885 -5.291 -0.311) 7.919 3.917 ( 2.206 -0.142 1.419) 2.627 4.111 ( 3.110 -1.546 12.789) 13.252 4.297 ( 2.630 3.351 8.607) 9.603 4.349 ( -0.051 -1.344 -0.565) 1.459 4.507 ( 0.668 -9.604 -1.518) 9.746 4.919 ( -6.669 1.446 0.229) 6.828 5.133 ( -8.193 -3.125 -0.695) 8.796 5.883 ( -1.848 -0.789 -4.866) 5.265 6.289 ( 4.304 -1.454 0.153) 4.545 6.683 ( 3.434 -6.876 3.227) 8.336 6.758 ( 5.653 -6.177 -0.908) 8.422 6.837 ( -4.814 4.641 3.806) 7.694 7.169 ( -5.320 4.354 -2.223) 7.225 7.463 ( -1.720 -5.126 -2.298) 5.875 7.534 ( -5.469 -11.015 -0.913) 12.332 7.958 ( 0.940 0.206 8.451) 8.506 8.182 ( 2.232 -2.200 -4.328) 5.344 8.489 ( 1.706 8.489 2.327) 8.965 8.695 ( -1.974 0.680 5.416) 5.804 8.921 ( -2.379 11.460 -9.784) 15.255 9.259 ( 2.839 5.149 -2.128) 6.253 9.313 ( 3.546 -4.571 -1.014) 5.873 9.460 ( 10.383 0.555 0.967) 10.442 9.706 ( 2.165 2.869 -2.571) 4.419 9.866 ( 4.029 5.352 -1.349) 6.833 10.082 ( 0.725 6.065 2.074) 6.451 10.205 ( 5.283 0.596 4.176) 6.761 10.407 ( -1.683 -2.159 4.247) 5.053 10.476 ( -7.699 -4.289 -2.000) 9.038 10.855 ( 1.690 3.560 -3.500) 5.271 11.300 ( -3.765 0.404 0.211) 3.792 11.981 ( 0.484 11.532 -0.946) 11.581 12.239 ( 6.978 11.672 5.171) 14.549 12.363 ( -2.114 2.228 -4.505) 5.452 12.737 ( -1.298 -5.440 4.531) 7.198 14.952 ( 14.695 6.886 -0.849) 16.251 15.159 ( -3.134 4.582 -6.190) 8.314 15.286 ( 5.238 -2.358 -2.016) 6.088 15.581 ( -1.028 3.378 6.495) 7.393 15.975 ( 1.270 -4.469 -8.004) 9.254 16.197 ( 7.032 9.082 -3.333) 11.960 16.626 ( -6.870 16.433 -1.330) 17.861 16.901 ( -4.653 13.453 2.716) 14.492 17.113 ( 12.756 -8.266 12.792) 19.867 17.321 ( 10.498 -5.087 -8.025) 14.159 18.260 ( -5.868 -9.641 16.079) 19.645 18.808 ( -18.046 -17.359 -13.881) 28.630 ======================= Grid point 27 (18/170) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 1.464 4.198 5.074) 6.747 1.672 ( -2.216 5.017 -4.237) 6.931 1.847 ( -5.198 2.803 -7.080) 9.219 2.239 ( 6.570 -1.364 -0.301) 6.716 2.286 ( 0.316 -3.495 2.695) 4.425 2.373 ( 4.728 -1.836 -2.073) 5.479 2.483 ( -7.717 0.967 1.270) 7.880 2.662 ( -5.219 2.543 -2.004) 6.142 2.779 ( 2.301 0.632 0.553) 2.450 2.927 ( -0.227 4.402 -0.050) 4.408 3.006 ( -6.220 -4.361 -3.143) 8.221 3.280 ( -0.684 -2.734 1.878) 3.386 3.935 ( 1.168 -1.919 0.840) 2.398 4.025 ( 3.678 -6.007 0.503) 7.062 4.262 ( 2.685 -8.833 4.810) 10.410 4.372 ( 0.803 2.695 2.239) 3.595 4.404 ( 1.541 3.351 3.127) 4.835 4.466 ( -2.101 -11.865 -2.352) 12.277 4.845 ( -2.323 3.407 0.027) 4.124 5.025 ( -3.541 -1.611 -0.324) 3.904 5.828 ( -0.477 0.213 -1.587) 1.671 6.353 ( 2.384 0.275 0.277) 2.416 6.750 ( 1.721 -0.615 0.292) 1.851 6.813 ( -2.843 -5.318 3.979) 7.225 6.849 ( 5.470 -2.723 -1.186) 6.224 7.058 ( -4.534 4.369 -1.688) 6.519 7.417 ( -0.562 -7.718 -2.144) 8.030 7.456 ( -3.071 -6.091 0.888) 6.879 8.055 ( -1.465 -0.635 8.503) 8.652 8.142 ( 1.772 0.865 -6.684) 6.969 8.577 ( 4.723 11.972 3.313) 13.290 8.692 ( -3.577 6.878 0.583) 7.775 8.774 ( -2.338 5.733 -5.929) 8.572 9.249 ( 0.592 1.789 -2.025) 2.766 9.352 ( 1.562 -5.503 -0.138) 5.722 9.639 ( 7.014 0.372 1.098) 7.110 9.721 ( -0.313 3.006 1.157) 3.236 9.908 ( 2.322 5.559 -0.924) 6.095 10.075 ( -1.956 5.890 -0.302) 6.213 10.325 ( 4.523 0.341 1.139) 4.677 10.343 ( -2.527 2.959 -2.015) 4.382 10.428 ( -3.032 -7.339 3.359) 8.622 10.873 ( 1.862 3.324 -0.223) 3.817 11.233 ( -2.533 0.727 -0.916) 2.789 11.937 ( -1.253 12.860 -1.784) 13.043 12.288 ( -1.897 2.613 -0.674) 3.298 12.405 ( 4.638 9.843 1.745) 11.020 12.768 ( -0.134 -3.604 2.220) 4.235 15.062 ( -2.482 3.345 3.831) 5.659 15.074 ( 3.767 1.680 -7.607) 8.653 15.398 ( 7.515 -2.327 -1.449) 7.999 15.627 ( -2.522 6.017 5.637) 8.622 15.951 ( 2.656 0.902 -1.880) 3.377 16.209 ( -0.169 14.747 -4.811) 15.513 16.517 ( -2.633 15.363 -0.006) 15.587 16.850 ( -3.103 14.769 1.296) 15.147 17.360 ( 3.170 -8.322 -0.434) 8.916 17.506 ( 12.548 -9.513 6.654) 17.094 18.314 ( -3.094 -10.871 6.777) 13.179 18.400 ( -11.587 -18.231 -10.195) 23.886 ======================= Grid point 33 (19/170) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.000 19.120 0.000) 19.120 1.609 ( 0.000 21.228 0.000) 21.228 1.985 ( 0.000 -5.300 0.000) 5.300 2.284 ( 0.000 -7.450 0.000) 7.450 2.443 ( 0.000 21.190 0.000) 21.190 2.586 ( 0.000 7.936 0.000) 7.936 2.786 ( 0.000 2.956 0.000) 2.956 2.792 ( 0.000 1.044 0.000) 1.044 3.030 ( 0.000 -8.258 0.000) 8.258 3.062 ( 0.000 -4.345 0.000) 4.345 3.263 ( 0.000 -7.757 0.000) 7.757 3.330 ( 0.000 -12.374 0.000) 12.374 3.624 ( 0.000 -1.052 0.000) 1.052 3.771 ( 0.000 -8.455 0.000) 8.455 4.163 ( 0.000 4.741 0.000) 4.741 4.200 ( 0.000 5.514 0.000) 5.514 4.298 ( 0.000 1.001 0.000) 1.001 4.336 ( 0.000 -2.106 0.000) 2.106 5.393 ( 0.000 -3.164 0.000) 3.164 5.476 ( 0.000 -8.020 0.000) 8.020 5.980 ( 0.000 -4.189 0.000) 4.189 6.046 ( 0.000 -3.909 0.000) 3.909 6.777 ( 0.000 -2.954 0.000) 2.954 6.782 ( 0.000 -1.642 0.000) 1.642 7.196 ( 0.000 -1.618 0.000) 1.618 7.304 ( 0.000 -3.453 0.000) 3.453 7.334 ( 0.000 2.347 0.000) 2.347 7.486 ( 0.000 -2.031 0.000) 2.031 7.564 ( 0.000 -4.090 0.000) 4.090 7.612 ( 0.000 -7.262 0.000) 7.262 8.317 ( 0.000 1.125 0.000) 1.125 8.389 ( 0.000 -1.393 0.000) 1.393 8.666 ( 0.000 6.689 0.000) 6.689 8.897 ( 0.000 -2.475 0.000) 2.475 9.370 ( 0.000 -1.291 0.000) 1.291 9.380 ( 0.000 -4.298 0.000) 4.298 9.779 ( 0.000 5.720 0.000) 5.720 9.848 ( 0.000 3.184 0.000) 3.184 10.055 ( 0.000 3.301 0.000) 3.301 10.113 ( 0.000 0.473 0.000) 0.473 10.603 ( 0.000 0.168 0.000) 0.168 10.641 ( 0.000 0.481 0.000) 0.481 10.780 ( 0.000 3.225 0.000) 3.225 11.042 ( 0.000 -7.876 0.000) 7.876 11.866 ( 0.000 12.945 0.000) 12.945 12.353 ( 0.000 -6.949 0.000) 6.949 12.604 ( 0.000 5.197 0.000) 5.197 12.795 ( 0.000 -4.588 0.000) 4.588 14.254 ( 0.000 18.670 0.000) 18.670 15.007 ( 0.000 -14.607 0.000) 14.607 15.108 ( 0.000 8.849 0.000) 8.849 15.489 ( 0.000 -5.937 0.000) 5.937 16.018 ( 0.000 -1.591 0.000) 1.591 16.148 ( 0.000 -3.062 0.000) 3.062 16.576 ( 0.000 0.043 0.000) 0.043 16.673 ( 0.000 -4.215 0.000) 4.215 17.060 ( 0.000 5.992 0.000) 5.992 17.350 ( 0.000 -8.465 0.000) 8.465 18.291 ( 0.000 31.700 0.000) 31.700 19.499 ( 0.000 -24.625 0.000) 24.625 ======================= Grid point 34 (20/170) ======================= q-point: ( 0.09 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 9.014 17.094 6.579) 20.414 1.651 ( 4.451 19.020 0.857) 19.552 2.088 ( 6.962 -5.110 6.462) 10.786 2.287 ( -0.123 -8.297 -0.708) 8.328 2.339 ( -0.224 18.041 -10.974) 21.117 2.615 ( -3.631 5.672 2.787) 7.288 2.734 ( -3.345 1.307 -1.679) 3.964 2.806 ( -2.056 4.904 3.797) 6.534 2.970 ( -4.391 -9.913 -9.082) 14.143 3.009 ( -1.713 -8.448 0.084) 8.621 3.160 ( -3.414 -2.931 -2.410) 5.105 3.395 ( -0.747 -7.605 2.315) 7.984 3.681 ( 0.226 -0.870 9.036) 9.081 3.813 ( 1.146 -7.028 6.898) 9.914 4.077 ( -4.610 5.642 -4.396) 8.510 4.202 ( -3.483 5.654 2.328) 7.036 4.276 ( 0.556 -3.779 -2.704) 4.680 4.376 ( 2.234 -0.858 0.544) 2.454 5.343 ( -5.509 -2.371 -0.686) 6.037 5.431 ( -4.191 -7.522 -1.595) 8.757 5.982 ( 0.004 -3.046 0.963) 3.194 6.066 ( 3.097 -4.601 -1.575) 5.765 6.637 ( -7.700 -2.433 -6.115) 10.129 6.685 ( -7.223 -3.408 -2.753) 8.448 7.190 ( -2.696 2.840 -0.334) 3.930 7.298 ( -1.697 -3.387 1.933) 4.253 7.440 ( 5.679 -0.049 0.861) 5.744 7.522 ( -0.260 -4.180 1.800) 4.558 7.585 ( 6.683 -3.592 1.266) 7.692 7.674 ( 7.110 -6.810 -0.339) 9.851 8.369 ( 2.788 1.886 5.501) 6.449 8.439 ( 3.012 -1.369 2.331) 4.048 8.712 ( 3.483 6.444 4.631) 8.666 8.936 ( 3.021 -2.149 2.673) 4.570 9.319 ( -0.876 -1.269 -4.238) 4.510 9.400 ( 3.788 -4.359 -5.062) 7.679 9.828 ( 4.462 5.789 -0.845) 7.358 9.862 ( 2.946 3.760 -0.211) 4.781 10.041 ( -0.954 3.501 -0.493) 3.662 10.120 ( 0.780 -0.445 -0.276) 0.939 10.482 ( -7.603 5.484 -1.397) 9.478 10.668 ( -2.889 -4.041 3.653) 6.166 10.911 ( 7.487 1.773 6.617) 10.148 11.038 ( 3.384 -5.158 -4.347) 7.547 11.888 ( 2.898 12.078 -0.359) 12.426 12.302 ( -2.720 -4.411 -3.012) 5.994 12.605 ( -1.800 3.409 1.791) 4.250 12.758 ( -4.569 -3.956 1.120) 6.147 14.364 ( 12.592 17.881 -0.292) 21.872 15.050 ( 7.542 -9.964 -4.515) 13.287 15.177 ( 3.013 4.396 7.814) 9.458 15.498 ( 2.245 -4.897 -2.388) 5.892 16.013 ( 0.309 -2.166 -1.295) 2.542 16.120 ( 0.305 -2.715 -4.297) 5.092 16.448 ( -4.817 1.756 -8.618) 10.028 16.696 ( 4.505 -8.765 -5.597) 11.333 17.116 ( 1.526 8.029 6.706) 10.572 17.444 ( 0.906 -6.639 12.435) 14.125 18.238 ( -6.646 29.772 0.630) 30.512 19.417 ( -6.808 -24.359 -4.483) 25.687 ======================= Grid point 35 (21/170) ======================= q-point: ( 0.18 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 2.350 15.357 3.335) 15.890 1.825 ( 10.077 13.573 4.818) 17.578 2.219 ( 2.861 2.432 -9.682) 10.385 2.250 ( 0.142 0.576 0.369) 0.698 2.328 ( 6.783 -3.720 3.082) 8.327 2.475 ( -11.065 1.827 -4.555) 12.105 2.616 ( -6.637 -1.188 -5.262) 8.552 2.814 ( -0.678 0.480 3.598) 3.692 2.832 ( -1.634 -7.908 -5.012) 9.504 3.005 ( -1.911 -7.833 4.843) 9.405 3.097 ( -2.776 4.598 0.434) 5.389 3.357 ( -3.258 -5.892 -2.294) 7.113 3.796 ( -0.158 1.770 11.278) 11.418 3.944 ( -4.952 3.986 -3.335) 7.179 3.970 ( 3.102 -1.506 12.107) 12.588 4.130 ( -5.355 5.173 -1.512) 7.598 4.267 ( 0.275 -6.910 -0.337) 6.924 4.393 ( -0.135 -2.669 -0.761) 2.779 5.207 ( -8.825 -0.925 -1.469) 8.994 5.315 ( -6.918 -6.655 -2.182) 9.844 6.005 ( 1.363 -1.079 0.075) 1.740 6.093 ( 1.985 -4.389 -1.508) 5.048 6.494 ( -0.363 -2.916 -5.176) 5.952 6.553 ( -5.061 -5.239 -1.310) 7.401 7.108 ( -4.354 4.770 -1.805) 6.706 7.295 ( -1.671 -3.873 1.180) 4.380 7.476 ( -0.092 -2.917 -0.629) 2.985 7.504 ( -2.772 -2.839 1.044) 4.103 7.727 ( 6.228 -1.427 2.197) 6.757 7.847 ( 9.539 -6.496 3.675) 12.112 8.506 ( 2.228 1.507 2.067) 3.393 8.511 ( 3.337 1.630 9.071) 9.802 8.898 ( 9.937 4.464 7.671) 13.324 9.049 ( 6.509 -0.356 2.337) 6.925 9.261 ( 1.954 -0.699 -7.389) 7.675 9.397 ( 5.218 -4.823 -8.039) 10.729 9.836 ( 1.943 6.589 -4.974) 8.481 9.954 ( 5.373 2.511 -2.255) 6.345 10.028 ( -0.898 4.125 2.807) 5.070 10.124 ( -0.725 -0.055 1.322) 1.509 10.371 ( -3.909 5.628 -0.065) 6.852 10.619 ( -6.790 -5.719 2.061) 9.114 11.018 ( 3.365 1.959 -3.408) 5.175 11.149 ( 7.503 -1.670 5.429) 9.411 11.962 ( 6.476 11.296 0.648) 13.037 12.250 ( 0.350 -0.580 -1.155) 1.339 12.565 ( -5.089 1.810 1.261) 5.547 12.689 ( -5.346 -3.741 1.445) 6.683 14.619 ( 18.179 16.043 -1.323) 24.282 15.126 ( 7.814 -4.643 -5.330) 10.537 15.358 ( 5.809 -0.001 9.542) 11.171 15.486 ( 1.489 -1.047 -6.176) 6.438 15.996 ( 1.509 -3.711 -4.989) 6.398 16.109 ( 4.712 -3.289 -2.496) 6.265 16.318 ( 0.823 3.185 -5.557) 6.458 16.712 ( 4.693 -12.461 -4.154) 13.949 17.224 ( 0.393 10.999 8.539) 13.930 17.588 ( 0.816 -0.397 7.907) 7.959 18.106 ( -12.439 21.093 5.488) 25.095 19.182 ( -12.736 -23.636 -8.356) 28.119 ======================= Grid point 36 (22/170) ======================= q-point: ( 0.27 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -5.322 10.088 3.574) 11.953 1.958 ( 4.359 9.438 -4.110) 11.179 2.134 ( -5.181 -3.898 -3.837) 7.534 2.233 ( -6.647 2.844 -5.519) 9.095 2.273 ( 5.479 4.404 -3.753) 7.968 2.395 ( -3.382 -1.717 -2.115) 4.343 2.525 ( 2.444 -5.371 -0.134) 5.903 2.747 ( -0.994 -8.199 -6.161) 10.304 2.871 ( 0.844 2.205 3.316) 4.070 3.024 ( -2.772 -0.193 3.976) 4.850 3.104 ( -0.797 -1.163 6.041) 6.203 3.245 ( -5.174 -4.584 -4.840) 8.438 3.835 ( -1.972 3.748 -2.835) 5.097 3.931 ( 0.124 2.602 11.235) 11.533 4.018 ( -4.748 3.169 -2.157) 6.102 4.174 ( 3.445 0.622 13.122) 13.581 4.278 ( 0.369 -5.596 2.089) 5.985 4.363 ( -2.072 -6.122 -1.022) 6.543 5.050 ( -7.674 0.093 -1.141) 7.759 5.172 ( -7.284 -5.797 -1.715) 9.466 5.977 ( -2.188 1.386 -3.705) 4.521 6.133 ( 3.331 -4.346 1.320) 5.632 6.497 ( 0.686 -4.737 -0.479) 4.810 6.526 ( 7.125 -5.131 -2.475) 9.122 7.025 ( -4.549 5.726 0.213) 7.317 7.263 ( -2.439 -4.102 -1.010) 4.878 7.439 ( -2.422 -2.949 -1.154) 3.987 7.469 ( -3.422 -1.719 1.728) 4.201 7.854 ( 3.796 1.183 5.976) 7.178 8.018 ( 5.786 -5.833 3.760) 9.035 8.564 ( 2.115 4.212 2.236) 5.216 8.645 ( 1.625 0.672 6.702) 6.928 9.131 ( 6.772 1.490 -4.025) 8.017 9.171 ( 6.735 1.338 4.674) 8.306 9.237 ( 6.857 1.605 -5.175) 8.739 9.418 ( 7.862 -2.174 -7.422) 11.029 9.792 ( -1.972 5.012 -3.134) 6.231 9.921 ( -0.707 1.380 -3.180) 3.538 10.107 ( 3.536 3.551 2.827) 5.753 10.152 ( 2.526 2.037 1.154) 3.444 10.354 ( -1.299 1.886 3.333) 4.044 10.512 ( -6.498 -5.141 -0.351) 8.293 11.016 ( 2.340 6.962 -5.009) 8.890 11.275 ( 1.771 -3.337 2.312) 4.430 12.122 ( 8.965 11.025 3.432) 14.619 12.291 ( 4.330 3.700 0.633) 5.731 12.483 ( -5.578 1.099 0.793) 5.740 12.619 ( -4.902 -5.059 2.100) 7.351 14.893 ( 17.098 11.362 -3.210) 20.779 15.178 ( 5.582 -3.599 -4.999) 8.312 15.396 ( -2.385 3.088 -6.691) 7.746 15.547 ( 4.772 2.541 6.805) 8.691 15.953 ( 2.890 -1.669 -7.501) 8.209 16.233 ( 10.708 3.041 -0.404) 11.139 16.406 ( 10.658 -6.038 5.298) 13.346 16.761 ( 5.141 -11.854 -2.016) 13.077 17.303 ( -1.666 13.328 7.333) 15.303 17.578 ( -3.145 16.065 -7.670) 18.078 18.013 ( -12.494 -0.766 16.521) 20.727 18.824 ( -17.053 -22.674 -11.132) 30.477 ======================= Grid point 37 (23/170) ======================= q-point: ( 0.36 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -7.294 6.811 4.346) 10.884 1.867 ( -4.912 4.081 -6.232) 8.923 2.018 ( -1.322 -2.856 -5.321) 6.182 2.159 ( 0.880 -3.961 -6.395) 7.574 2.284 ( 0.485 8.500 2.514) 8.877 2.351 ( -0.114 0.475 -3.279) 3.315 2.534 ( -1.784 -4.484 -1.144) 4.960 2.690 ( 0.405 -6.813 -2.587) 7.299 2.870 ( -1.717 6.152 -1.807) 6.638 3.012 ( -2.933 0.876 1.723) 3.513 3.092 ( -4.728 -0.716 -4.328) 6.449 3.172 ( -0.733 -4.509 5.866) 7.435 3.832 ( 3.731 -0.199 -0.817) 3.825 3.945 ( -1.661 2.333 -0.702) 2.949 4.028 ( -0.739 -4.524 5.835) 7.420 4.295 ( -3.636 -9.837 -0.581) 10.503 4.352 ( 1.796 1.091 6.013) 6.369 4.361 ( 3.144 1.618 9.186) 9.843 4.945 ( -4.015 1.193 -0.333) 4.201 5.049 ( -5.717 -4.234 -0.800) 7.159 5.899 ( -1.801 2.833 -3.117) 4.581 6.200 ( 2.311 -7.836 1.437) 8.295 6.544 ( 5.011 -2.741 0.597) 5.743 6.650 ( 9.305 -4.539 -1.515) 10.463 6.960 ( -4.780 5.824 1.593) 7.701 7.187 ( -4.569 -3.733 -2.043) 6.244 7.388 ( -2.598 -0.309 -0.302) 2.634 7.433 ( -2.487 -0.623 0.962) 2.738 7.976 ( 0.804 1.638 8.332) 8.530 8.112 ( 2.471 -4.042 0.855) 4.814 8.639 ( 3.721 5.779 3.449) 7.690 8.721 ( 0.852 1.333 3.994) 4.296 9.085 ( 1.125 3.945 -11.172) 11.901 9.217 ( 3.228 -4.303 -4.175) 6.809 9.392 ( 2.720 6.476 -3.115) 7.684 9.471 ( 8.919 1.013 0.099) 8.977 9.749 ( -0.445 2.003 1.286) 2.421 9.928 ( 2.276 -1.408 1.041) 2.872 10.174 ( 3.079 2.013 -0.583) 3.725 10.207 ( 3.334 1.247 -1.552) 3.884 10.371 ( -3.515 0.350 5.638) 6.653 10.428 ( -2.656 -1.233 0.227) 2.937 10.998 ( 2.105 8.401 -4.010) 9.544 11.272 ( -1.998 -3.205 -1.157) 3.950 12.213 ( -0.397 9.828 -1.234) 9.913 12.401 ( -4.280 1.102 -0.900) 4.510 12.426 ( 8.315 6.047 3.253) 10.783 12.620 ( 0.104 -5.383 5.699) 7.840 15.067 ( 8.696 3.990 -5.156) 10.868 15.220 ( 5.010 -3.344 -2.500) 6.521 15.286 ( -0.974 7.731 -5.399) 9.480 15.643 ( -0.615 -2.880 2.158) 3.651 15.992 ( 7.751 10.660 1.327) 13.247 16.405 ( 11.208 10.406 -2.163) 15.446 16.736 ( 15.694 -13.081 10.239) 22.853 16.820 ( 3.604 -7.105 -1.195) 8.056 17.315 ( -8.682 17.748 5.681) 20.558 17.392 ( -0.514 13.832 -10.869) 17.599 18.029 ( -8.103 -11.834 14.499) 20.394 18.391 ( -18.913 -21.817 -12.478) 31.455 ======================= Grid point 38 (24/170) ======================= q-point: ( 0.45 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -2.330 3.429 3.367) 5.341 1.770 ( -1.917 2.485 0.228) 3.146 1.906 ( -1.803 2.452 -7.735) 8.313 2.154 ( 2.667 -6.791 -1.275) 7.407 2.290 ( -1.152 1.547 -1.923) 2.724 2.343 ( 0.961 3.639 2.829) 4.708 2.460 ( -3.629 -3.082 -1.892) 5.123 2.681 ( -0.018 -3.629 -0.774) 3.710 2.840 ( 1.186 4.847 0.441) 5.010 2.920 ( -5.023 -0.683 -3.010) 5.896 3.042 ( -0.340 5.090 0.023) 5.101 3.216 ( 0.164 -3.687 2.143) 4.268 3.900 ( 3.464 -2.941 0.326) 4.556 3.933 ( -0.206 -0.145 -0.237) 0.346 4.059 ( 0.059 -8.686 1.763) 8.864 4.218 ( -3.339 -10.908 -0.889) 11.442 4.443 ( 1.211 3.175 3.447) 4.840 4.474 ( 1.415 2.370 3.418) 4.394 4.904 ( -1.039 2.038 -0.008) 2.288 4.975 ( -2.307 -2.499 -0.173) 3.406 5.857 ( -0.478 3.454 -1.037) 3.638 6.236 ( 0.744 -11.110 0.555) 11.148 6.645 ( 4.661 -0.852 0.834) 4.811 6.762 ( 4.460 -3.953 -0.863) 6.022 6.906 ( -2.741 5.235 1.096) 6.010 7.089 ( -3.897 -2.138 -1.240) 4.615 7.353 ( -1.254 1.619 0.018) 2.048 7.413 ( -0.777 0.019 0.174) 0.796 8.049 ( -0.904 0.531 4.505) 4.625 8.134 ( 1.098 -1.877 -1.112) 2.443 8.764 ( 0.715 4.004 5.433) 6.787 8.775 ( 4.509 6.199 4.006) 8.649 8.944 ( -2.794 6.290 -10.848) 12.847 9.208 ( 0.966 -6.964 -3.051) 7.664 9.346 ( -0.581 6.895 -2.000) 7.203 9.618 ( 5.145 -2.399 0.490) 5.698 9.772 ( -0.704 2.638 2.652) 3.806 9.982 ( 2.016 -1.663 0.500) 2.660 10.185 ( 0.382 3.883 -1.960) 4.367 10.226 ( 1.244 -3.866 -0.752) 4.130 10.382 ( 0.199 2.165 1.952) 2.922 10.412 ( -1.956 1.429 1.646) 2.928 11.000 ( 1.339 7.253 -1.253) 7.482 11.220 ( -1.625 -2.158 -1.152) 2.937 12.173 ( -1.200 9.054 -0.958) 9.183 12.326 ( -2.194 0.723 -1.129) 2.571 12.563 ( 3.393 5.120 1.603) 6.348 12.696 ( 1.285 -3.164 3.035) 4.569 15.101 ( 2.824 2.783 -3.071) 5.015 15.188 ( -2.831 6.039 -0.281) 6.676 15.334 ( 5.689 -2.485 -1.802) 6.465 15.607 ( -2.725 -6.966 -0.307) 7.486 16.178 ( 6.476 18.593 4.747) 20.253 16.524 ( 5.387 14.668 -2.351) 15.802 16.829 ( -0.024 9.950 -1.576) 10.074 16.978 ( 0.359 -6.587 1.120) 6.691 17.292 ( 3.682 -3.460 10.958) 12.067 17.365 ( 4.101 9.355 -6.032) 11.862 17.958 ( -15.570 -21.634 -6.343) 27.399 18.057 ( -2.302 -14.558 2.757) 14.995 ======================= Grid point 44 (25/170) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 0.000 -13.615 0.000) 13.615 1.784 ( 0.000 13.615 0.000) 13.615 2.010 ( 0.000 -16.608 0.000) 16.608 2.010 ( 0.000 16.609 0.000) 16.609 2.731 ( 0.000 -0.839 0.000) 0.839 2.731 ( 0.000 0.839 0.000) 0.839 2.827 ( 0.000 -3.692 0.000) 3.692 2.827 ( 0.000 3.691 0.000) 3.691 2.951 ( 0.000 -8.051 0.000) 8.051 2.951 ( 0.000 8.051 0.000) 8.051 3.144 ( 0.000 -0.169 0.000) 0.169 3.144 ( 0.000 0.169 0.000) 0.169 3.644 ( 0.000 -3.384 0.000) 3.384 3.644 ( 0.000 3.384 0.000) 3.384 4.252 ( 0.000 -2.937 0.000) 2.937 4.252 ( 0.000 2.937 0.000) 2.937 4.306 ( 0.000 -1.896 0.000) 1.896 4.306 ( 0.000 1.897 0.000) 1.897 5.369 ( 0.000 -1.750 0.000) 1.750 5.369 ( 0.000 1.750 0.000) 1.750 5.969 ( 0.000 -2.559 0.000) 2.559 5.969 ( 0.000 2.559 0.000) 2.559 6.755 ( 0.000 -0.529 0.000) 0.529 6.755 ( 0.000 0.529 0.000) 0.529 7.213 ( 0.000 -3.375 0.000) 3.375 7.213 ( 0.000 3.375 0.000) 3.375 7.432 ( 0.000 -5.183 0.000) 5.183 7.432 ( 0.000 5.183 0.000) 5.183 7.510 ( 0.000 -0.070 0.000) 0.070 7.510 ( 0.000 0.070 0.000) 0.070 8.353 ( 0.000 -1.914 0.000) 1.914 8.353 ( 0.000 1.914 0.000) 1.914 8.806 ( 0.000 -6.049 0.000) 6.049 8.806 ( 0.000 6.049 0.000) 6.049 9.341 ( 0.000 -0.519 0.000) 0.519 9.341 ( 0.000 0.519 0.000) 0.519 9.859 ( 0.000 -1.848 0.000) 1.848 9.859 ( 0.000 1.848 0.000) 1.848 10.107 ( 0.000 -1.341 0.000) 1.341 10.107 ( 0.000 1.342 0.000) 1.342 10.617 ( 0.000 -1.167 0.000) 1.167 10.617 ( 0.000 1.167 0.000) 1.167 10.894 ( 0.000 -6.298 0.000) 6.298 10.894 ( 0.000 6.299 0.000) 6.299 12.144 ( 0.000 -12.471 0.000) 12.471 12.144 ( 0.000 12.471 0.000) 12.471 12.704 ( 0.000 -4.377 0.000) 4.377 12.704 ( 0.000 4.377 0.000) 4.377 14.653 ( 0.000 -18.614 0.000) 18.614 14.653 ( 0.000 18.614 0.000) 18.614 15.312 ( 0.000 -10.053 0.000) 10.053 15.312 ( 0.000 10.054 0.000) 10.054 16.063 ( 0.000 -4.430 0.000) 4.430 16.063 ( 0.000 4.430 0.000) 4.430 16.599 ( 0.000 -2.370 0.000) 2.370 16.599 ( 0.000 2.370 0.000) 2.370 17.192 ( 0.000 -6.752 0.000) 6.752 17.192 ( 0.000 6.752 0.000) 6.752 18.933 ( 0.000 -29.107 0.000) 29.107 18.933 ( 0.000 29.107 0.000) 29.107 ======================= Grid point 46 (26/170) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 7.493 -9.737 1.893) 12.431 1.868 ( 7.492 9.737 1.893) 12.430 2.046 ( 1.411 -12.331 4.245) 13.117 2.046 ( 1.411 12.331 4.244) 13.118 2.652 ( -3.167 -10.749 -11.527) 16.076 2.652 ( -3.167 10.749 -11.527) 16.076 2.753 ( -4.569 -4.488 -0.950) 6.475 2.753 ( -4.569 4.488 -0.950) 6.475 2.891 ( -4.134 -2.954 0.187) 5.085 2.891 ( -4.134 2.954 0.187) 5.084 3.221 ( 1.954 -8.002 3.105) 8.803 3.221 ( 1.953 8.002 3.105) 8.803 3.703 ( 1.218 -3.131 9.470) 10.049 3.703 ( 1.218 3.131 9.470) 10.049 4.190 ( -2.775 -4.698 -4.305) 6.950 4.190 ( -2.775 4.698 -4.305) 6.950 4.318 ( -1.615 -4.727 2.093) 5.416 4.318 ( -1.614 4.727 2.093) 5.416 5.330 ( -3.913 -1.869 -1.345) 4.540 5.330 ( -3.913 1.869 -1.345) 4.540 5.983 ( 1.940 -2.776 -0.273) 3.398 5.983 ( 1.941 2.777 -0.272) 3.399 6.630 ( -7.766 -1.488 -4.958) 9.333 6.630 ( -7.765 1.489 -4.960) 9.334 7.241 ( -1.259 -2.307 1.235) 2.904 7.241 ( -1.260 2.307 1.235) 2.904 7.463 ( 0.840 -1.943 1.934) 2.868 7.463 ( 0.841 1.943 1.934) 2.868 7.564 ( 7.959 -2.568 0.120) 8.364 7.564 ( 7.960 2.568 0.121) 8.365 8.410 ( 3.637 -1.703 3.863) 5.572 8.410 ( 3.637 1.703 3.863) 5.572 8.847 ( 3.378 -5.977 3.151) 7.554 8.847 ( 3.378 5.977 3.151) 7.554 9.326 ( 1.453 -2.280 -4.644) 5.374 9.326 ( 1.453 2.280 -4.644) 5.374 9.897 ( 4.505 -0.706 -0.875) 4.644 9.897 ( 4.506 0.706 -0.874) 4.644 10.096 ( -0.840 -1.839 -0.324) 2.047 10.096 ( -0.840 1.839 -0.323) 2.048 10.584 ( -5.487 -4.272 2.248) 7.308 10.584 ( -5.486 4.272 2.248) 7.307 10.955 ( 6.827 -2.765 0.241) 7.370 10.955 ( 6.828 2.766 0.242) 7.371 12.137 ( 0.632 -10.728 -1.230) 10.817 12.137 ( 0.632 10.728 -1.231) 10.817 12.680 ( -3.677 -3.641 1.373) 5.354 12.680 ( -3.677 3.641 1.373) 5.354 14.741 ( 10.533 -17.260 -0.851) 20.238 14.741 ( 10.533 17.260 -0.851) 20.238 15.340 ( 2.194 -8.952 1.638) 9.361 15.340 ( 2.194 8.952 1.638) 9.361 16.047 ( 1.115 -3.856 -4.283) 5.870 16.047 ( 1.115 3.856 -4.282) 5.870 16.529 ( -1.375 -6.216 -7.105) 9.540 16.529 ( -1.375 6.216 -7.105) 9.540 17.285 ( 1.566 -7.985 11.626) 14.191 17.285 ( 1.565 7.985 11.626) 14.191 18.859 ( -6.755 -28.570 -3.167) 29.528 18.859 ( -6.755 28.570 -3.167) 29.528 ======================= Grid point 48 (27/170) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 3.012 -5.954 -0.117) 6.673 1.986 ( 3.012 5.955 -0.117) 6.675 2.150 ( 3.419 -5.735 5.843) 8.873 2.150 ( 3.417 5.735 5.843) 8.872 2.447 ( -3.227 -8.674 -11.924) 15.094 2.447 ( -3.226 8.674 -11.924) 15.094 2.650 ( -5.593 -7.541 -2.998) 9.856 2.651 ( -5.593 7.541 -2.998) 9.856 2.868 ( -0.832 -4.695 4.294) 6.417 2.868 ( -0.832 4.695 4.294) 6.417 3.228 ( -1.665 -6.520 -1.314) 6.856 3.228 ( -1.665 6.519 -1.314) 6.856 3.874 ( 1.716 -4.784 13.735) 14.645 3.874 ( 1.716 4.784 13.734) 14.644 4.095 ( -2.254 -7.028 -3.458) 8.150 4.095 ( -2.255 7.028 -3.458) 8.150 4.285 ( -4.310 -6.517 1.057) 7.884 4.285 ( -4.309 6.517 1.057) 7.884 5.216 ( -6.742 -2.400 -2.481) 7.574 5.216 ( -6.742 2.401 -2.481) 7.574 6.022 ( 2.520 -2.428 -0.043) 3.499 6.022 ( 2.519 2.430 -0.043) 3.501 6.477 ( -3.045 -1.573 -4.415) 5.590 6.477 ( -3.044 1.573 -4.417) 5.590 7.202 ( -2.374 -4.396 -1.311) 5.165 7.202 ( -2.374 4.396 -1.311) 5.165 7.464 ( -2.328 -1.028 1.512) 2.960 7.464 ( -2.329 1.028 1.512) 2.961 7.741 ( 8.677 -3.068 3.926) 10.006 7.741 ( 8.676 3.068 3.926) 10.004 8.529 ( 3.785 -0.311 5.148) 6.397 8.529 ( 3.785 0.312 5.149) 6.398 8.993 ( 8.612 -4.309 4.365) 10.573 8.993 ( 8.611 4.309 4.365) 10.572 9.297 ( 3.575 -3.910 -7.139) 8.891 9.297 ( 3.575 3.910 -7.140) 8.891 9.943 ( 3.658 -3.216 -5.431) 7.295 9.943 ( 3.660 3.216 -5.430) 7.296 10.096 ( -0.216 -2.343 3.527) 4.239 10.096 ( -0.214 2.343 3.528) 4.240 10.498 ( -6.057 -5.999 0.400) 8.534 10.498 ( -6.057 5.998 0.400) 8.534 11.087 ( 6.834 -3.821 0.981) 7.891 11.087 ( 6.836 3.822 0.982) 7.893 12.165 ( 4.154 -7.398 0.446) 8.496 12.165 ( 4.154 7.397 0.446) 8.496 12.617 ( -5.916 -3.095 1.512) 6.846 12.617 ( -5.917 3.095 1.512) 6.846 14.936 ( 14.404 -13.012 -3.806) 19.780 14.936 ( 14.404 13.012 -3.806) 19.780 15.413 ( 3.220 -4.712 3.200) 6.543 15.413 ( 3.220 4.712 3.200) 6.543 16.018 ( 3.634 -4.527 -6.496) 8.712 16.018 ( 3.634 4.527 -6.496) 8.712 16.463 ( 1.827 -10.198 -3.791) 11.032 16.463 ( 1.827 10.198 -3.791) 11.032 17.447 ( 0.493 -9.752 12.802) 16.101 17.447 ( 0.493 9.752 12.802) 16.101 18.647 ( -12.800 -26.918 -5.615) 30.330 18.647 ( -12.800 26.918 -5.615) 30.330 ======================= Grid point 50 (28/170) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -6.334 -9.899 0.590) 11.767 1.953 ( -6.334 9.900 0.590) 11.767 2.151 ( -3.679 -7.678 -6.363) 10.629 2.151 ( -3.679 7.678 -6.364) 10.630 2.389 ( 4.373 -5.937 -0.726) 7.409 2.389 ( 4.372 5.937 -0.727) 7.409 2.542 ( -1.061 -10.311 -5.173) 11.584 2.542 ( -1.062 10.311 -5.172) 11.584 2.939 ( 0.763 -4.406 6.483) 7.875 2.939 ( 0.762 4.406 6.483) 7.875 3.162 ( -2.768 -3.748 -3.188) 5.646 3.162 ( -2.768 3.748 -3.188) 5.645 3.931 ( -3.507 -3.667 0.345) 5.086 3.931 ( -3.508 3.667 0.345) 5.086 4.133 ( 0.177 -6.338 6.551) 9.117 4.133 ( 0.178 6.337 6.551) 9.117 4.234 ( -1.799 -3.052 4.700) 5.885 4.234 ( -1.801 3.053 4.697) 5.885 5.077 ( -6.247 -2.859 -2.152) 7.199 5.077 ( -6.246 2.860 -2.152) 7.199 6.040 ( -0.326 -4.257 -0.586) 4.310 6.040 ( -0.326 4.260 -0.587) 4.312 6.457 ( 5.365 -1.226 -2.605) 6.088 6.457 ( 5.364 1.226 -2.605) 6.088 7.144 ( -3.251 -5.900 -0.692) 6.771 7.144 ( -3.251 5.899 -0.691) 6.771 7.439 ( -2.294 -1.381 1.173) 2.923 7.439 ( -2.295 1.381 1.173) 2.924 7.910 ( 4.910 -4.098 6.054) 8.807 7.910 ( 4.909 4.099 6.054) 8.806 8.633 ( 2.849 -2.067 3.780) 5.165 8.633 ( 2.848 2.067 3.780) 5.165 9.151 ( 6.134 -1.222 -3.154) 7.004 9.151 ( 6.134 1.221 -3.154) 7.004 9.332 ( 9.091 -5.236 -1.916) 10.665 9.332 ( 9.090 5.237 -1.917) 10.665 9.892 ( -2.202 -3.752 -4.090) 5.971 9.892 ( -2.202 3.753 -4.089) 5.971 10.161 ( 3.024 -1.299 2.112) 3.911 10.161 ( 3.027 1.299 2.112) 3.912 10.419 ( -3.545 -3.883 0.410) 5.274 10.419 ( -3.544 3.882 0.410) 5.273 11.167 ( 2.924 -1.734 -1.399) 3.676 11.167 ( 2.925 1.735 -1.398) 3.677 12.290 ( 7.658 -4.327 3.177) 9.352 12.290 ( 7.658 4.328 3.178) 9.352 12.526 ( -6.385 -3.527 1.100) 7.376 12.526 ( -6.386 3.527 1.099) 7.377 15.081 ( 9.959 -6.269 -6.521) 13.454 15.081 ( 9.959 6.269 -6.521) 13.454 15.494 ( 2.580 -6.142 0.271) 6.667 15.494 ( 2.579 6.142 0.271) 6.667 16.080 ( 9.690 -11.344 0.802) 14.941 16.080 ( 9.690 11.344 0.802) 14.941 16.510 ( 6.791 -10.850 -1.333) 12.870 16.510 ( 6.791 10.850 -1.332) 12.870 17.569 ( -0.890 -10.748 9.287) 14.232 17.569 ( -0.890 10.748 9.287) 14.232 18.325 ( -17.586 -23.780 -6.471) 30.276 18.325 ( -17.586 23.780 -6.471) 30.276 ======================= Grid point 52 (29/170) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -9.232 -8.021 1.688) 12.346 1.829 ( -9.233 8.021 1.687) 12.346 2.031 ( 0.005 -5.928 -6.769) 8.997 2.031 ( 0.007 5.929 -6.768) 8.998 2.413 ( -0.466 -4.150 -2.960) 5.119 2.413 ( -0.466 4.150 -2.960) 5.119 2.514 ( 1.390 -9.145 -1.038) 9.308 2.514 ( 1.389 9.144 -1.039) 9.307 2.979 ( -1.488 -3.773 -0.712) 4.118 2.979 ( -1.488 3.774 -0.711) 4.118 3.107 ( -0.695 -1.496 1.036) 1.948 3.107 ( -0.695 1.496 1.036) 1.948 3.889 ( -0.727 -4.831 -0.311) 4.895 3.889 ( -0.728 4.831 -0.311) 4.895 4.094 ( -4.653 -8.343 0.223) 9.555 4.094 ( -4.651 8.345 0.223) 9.556 4.374 ( 3.169 -0.541 9.606) 10.130 4.374 ( 3.169 0.541 9.606) 10.130 4.978 ( -3.668 -2.302 -0.817) 4.407 4.978 ( -3.667 2.302 -0.818) 4.407 6.014 ( -1.031 6.774 -0.914) 6.913 6.015 ( -1.031 -6.772 -0.913) 6.910 6.564 ( 8.631 -3.321 -0.806) 9.283 6.564 ( 8.631 3.322 -0.806) 9.284 7.078 ( -4.424 -5.563 0.110) 7.108 7.078 ( -4.424 5.563 0.111) 7.108 7.417 ( -1.612 -1.473 0.687) 2.289 7.417 ( -1.613 1.474 0.687) 2.290 8.030 ( 1.539 -3.445 5.473) 6.648 8.030 ( 1.539 3.446 5.473) 6.648 8.722 ( 3.289 -1.816 3.983) 5.476 8.722 ( 3.289 1.817 3.982) 5.475 9.140 ( 2.660 -2.745 -9.067) 9.840 9.141 ( 2.661 2.744 -9.068) 9.841 9.479 ( 6.991 -1.464 -0.894) 7.198 9.479 ( 6.990 1.464 -0.893) 7.197 9.829 ( -2.185 -5.683 1.819) 6.355 9.829 ( -2.187 5.684 1.822) 6.357 10.214 ( 3.565 -1.318 -2.757) 4.695 10.214 ( 3.569 1.318 -2.756) 4.698 10.399 ( -1.659 -1.620 3.319) 4.049 10.399 ( -1.658 1.621 3.320) 4.049 11.165 ( 0.346 -1.594 -2.802) 3.242 11.165 ( 0.347 1.595 -2.801) 3.241 12.370 ( -2.581 -4.691 -1.434) 5.543 12.370 ( -2.581 4.691 -1.435) 5.543 12.522 ( 4.211 -3.984 5.277) 7.839 12.522 ( 4.211 3.983 5.276) 7.838 15.142 ( 6.181 -3.654 -4.946) 8.719 15.142 ( 6.181 3.655 -4.946) 8.719 15.483 ( -1.227 -9.882 -2.920) 10.377 15.483 ( -1.227 9.882 -2.920) 10.377 16.346 ( 13.951 -19.425 8.133) 25.261 16.346 ( 13.951 19.425 8.133) 25.261 16.636 ( 10.013 -10.123 -1.072) 14.279 16.636 ( 10.013 10.123 -1.072) 14.279 17.614 ( -1.440 -7.027 0.880) 7.226 17.614 ( -1.440 7.027 0.880) 7.226 17.951 ( -19.834 -15.290 -2.931) 25.214 17.951 ( -19.834 15.290 -2.931) 25.214 ======================= Grid point 54 (30/170) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -4.253 -5.142 0.882) 6.730 1.724 ( -4.250 5.141 0.879) 6.728 2.002 ( 1.960 -6.874 -2.790) 7.673 2.002 ( 1.960 6.874 -2.790) 7.674 2.353 ( -2.343 -4.912 -1.063) 5.545 2.353 ( -2.342 4.912 -1.063) 5.545 2.522 ( 0.449 -9.340 -0.507) 9.364 2.522 ( 0.450 9.340 -0.508) 9.365 2.925 ( -1.294 -1.687 -1.625) 2.676 2.925 ( -1.296 1.687 -1.625) 2.677 3.132 ( 0.543 -3.895 1.230) 4.120 3.132 ( 0.542 3.895 1.230) 4.120 3.893 ( 0.714 -3.017 0.121) 3.103 3.894 ( 0.712 3.016 0.121) 3.101 4.033 ( -2.322 -6.058 -0.057) 6.488 4.033 ( -2.320 6.061 -0.058) 6.490 4.489 ( 1.320 -0.922 3.650) 3.989 4.489 ( 1.320 0.922 3.650) 3.989 4.935 ( -1.149 -1.348 -0.064) 1.772 4.935 ( -1.149 1.348 -0.064) 1.772 5.997 ( -0.248 3.893 -0.297) 3.913 5.997 ( -0.248 -3.892 -0.297) 3.911 6.682 ( 4.921 -3.288 -0.096) 5.919 6.682 ( 4.920 3.289 -0.097) 5.919 7.011 ( -3.109 -4.571 0.150) 5.530 7.011 ( -3.109 4.571 0.150) 5.530 7.402 ( -0.662 -1.660 0.151) 1.794 7.402 ( -0.663 1.661 0.151) 1.795 8.082 ( 0.018 -2.425 1.947) 3.110 8.082 ( 0.017 2.426 1.949) 3.112 8.831 ( 2.552 -1.350 5.207) 5.954 8.831 ( 2.552 1.351 5.206) 5.953 9.061 ( 0.079 -6.381 -7.555) 9.889 9.061 ( 0.079 6.380 -7.557) 9.891 9.517 ( 0.767 -7.467 -1.321) 7.622 9.517 ( 0.765 7.467 -1.319) 7.621 9.861 ( 0.867 -6.204 2.661) 6.806 9.861 ( 0.866 6.206 2.667) 6.810 10.222 ( 1.378 -0.364 -2.321) 2.723 10.222 ( 1.381 0.365 -2.321) 2.726 10.417 ( -0.506 -0.916 2.073) 2.322 10.417 ( -0.508 0.917 2.073) 2.323 11.139 ( -0.121 -0.288 -1.366) 1.401 11.139 ( -0.121 0.290 -1.365) 1.400 12.303 ( -2.044 -3.336 -0.900) 4.014 12.303 ( -2.043 3.337 -0.901) 4.015 12.637 ( 2.562 -2.662 2.293) 4.348 12.637 ( 2.561 2.661 2.291) 4.347 15.183 ( 2.916 -4.365 -1.705) 5.519 15.183 ( 2.915 4.364 -1.705) 5.518 15.426 ( -1.650 -9.031 -1.359) 9.280 15.426 ( -1.650 9.031 -1.359) 9.280 16.590 ( 4.664 -17.748 3.472) 18.676 16.590 ( 4.664 17.749 3.472) 18.677 16.841 ( 12.259 -10.365 3.235) 16.376 16.841 ( 12.258 10.364 3.235) 16.375 17.458 ( -9.602 -15.962 -8.573) 20.505 17.458 ( -9.602 15.962 -8.573) 20.506 17.741 ( -5.786 -13.354 3.920) 15.072 17.741 ( -5.786 13.354 3.920) 15.072 ======================= Grid point 99 (31/170) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -21.018 0.000 21.435) 30.020 0.528 ( -4.575 0.000 25.154) 25.567 0.942 ( 7.592 0.000 41.810) 42.494 2.026 ( 8.624 0.000 -0.993) 8.681 2.374 ( 6.945 0.000 -12.487) 14.288 2.489 ( 0.349 0.000 -14.787) 14.791 2.763 ( -4.734 0.000 3.207) 5.718 2.811 ( -0.369 0.000 4.202) 4.218 3.038 ( 1.942 0.000 2.455) 3.130 3.406 ( -0.523 0.000 1.253) 1.357 3.471 ( -1.975 0.000 -6.400) 6.698 3.769 ( 0.048 0.000 2.843) 2.844 3.778 ( -1.139 0.000 2.631) 2.868 3.859 ( -0.160 0.000 1.338) 1.348 4.069 ( -3.108 0.000 0.688) 3.183 4.142 ( -1.414 0.000 5.859) 6.027 4.158 ( -0.493 0.000 -0.296) 0.575 4.629 ( 0.424 0.000 -2.379) 2.416 5.480 ( -0.335 0.000 1.107) 1.157 5.897 ( 0.099 0.000 -3.816) 3.818 6.215 ( -0.333 0.000 -3.808) 3.822 6.479 ( 9.970 0.000 -6.214) 11.748 6.717 ( 0.080 0.000 0.323) 0.332 6.999 ( -4.207 0.000 -9.217) 10.131 7.095 ( -14.665 0.000 -9.737) 17.603 7.302 ( 6.204 0.000 -7.539) 9.764 7.532 ( 8.906 0.000 8.996) 12.659 7.563 ( -0.682 0.000 1.078) 1.275 7.780 ( 0.842 0.000 2.077) 2.241 7.889 ( -6.907 0.000 3.794) 7.881 8.329 ( 3.070 0.000 12.321) 12.698 8.630 ( 6.425 0.000 16.837) 18.021 8.665 ( 0.339 0.000 2.896) 2.916 8.983 ( 3.198 0.000 -1.676) 3.610 9.233 ( -9.022 0.000 -5.575) 10.605 9.478 ( 1.306 0.000 -2.342) 2.681 9.500 ( 7.220 0.000 5.788) 9.254 9.529 ( -3.411 0.000 -6.076) 6.968 9.866 ( -3.874 0.000 -5.549) 6.767 9.882 ( -0.905 0.000 -2.531) 2.688 10.457 ( -5.465 0.000 7.521) 9.296 10.788 ( 9.505 0.000 7.099) 11.864 11.098 ( 2.165 0.000 8.970) 9.227 11.347 ( -6.064 0.000 -6.504) 8.893 11.392 ( 6.595 0.000 -3.267) 7.360 12.286 ( 2.780 0.000 -8.237) 8.694 12.426 ( -8.570 0.000 3.017) 9.086 13.020 ( 6.928 0.000 -8.435) 10.916 13.718 ( -10.519 0.000 11.235) 15.391 14.916 ( 3.572 0.000 8.904) 9.594 15.286 ( 4.568 0.000 -12.419) 13.233 15.887 ( -2.276 0.000 5.905) 6.328 16.049 ( 1.777 0.000 2.032) 2.699 16.114 ( -4.991 0.000 -1.501) 5.211 16.545 ( -1.775 0.000 1.016) 2.045 16.637 ( -2.806 0.000 -23.688) 23.853 16.710 ( 1.270 0.000 -4.571) 4.744 16.806 ( 5.772 0.000 -3.990) 7.017 18.190 ( -0.961 0.000 31.035) 31.050 20.264 ( -0.052 0.000 -10.637) 10.637 ======================= Grid point 100 (32/170) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 12.660 0.000 11.882) 17.363 0.848 ( 9.032 0.000 22.087) 23.863 1.551 ( 14.611 0.000 28.560) 32.081 2.165 ( 11.310 0.000 -11.218) 15.930 2.335 ( 2.032 0.000 -16.244) 16.370 2.370 ( 3.110 0.000 -0.419) 3.138 2.704 ( -7.537 0.000 8.468) 11.336 2.829 ( -2.796 0.000 2.573) 3.800 3.079 ( -0.187 0.000 0.620) 0.648 3.275 ( -10.889 0.000 -5.535) 12.215 3.400 ( -1.656 0.000 0.284) 1.680 3.733 ( -0.374 0.000 -4.317) 4.333 3.791 ( -0.414 0.000 1.184) 1.254 3.928 ( 0.939 0.000 1.812) 2.041 4.010 ( -5.193 0.000 2.191) 5.637 4.135 ( -1.870 0.000 2.656) 3.248 4.204 ( 0.480 0.000 6.460) 6.478 4.619 ( 1.829 0.000 -2.315) 2.950 5.402 ( -10.060 0.000 1.489) 10.170 5.791 ( -6.789 0.000 -4.772) 8.298 6.158 ( -0.675 0.000 -5.871) 5.910 6.492 ( -0.129 0.000 -8.055) 8.056 6.724 ( -0.842 0.000 1.753) 1.945 6.824 ( -6.377 0.000 -6.018) 8.768 6.896 ( 1.500 0.000 0.150) 1.507 7.248 ( -1.690 0.000 -5.082) 5.356 7.684 ( 10.101 0.000 -1.070) 10.158 7.687 ( 3.574 0.000 -0.605) 3.625 7.860 ( 2.117 0.000 -0.896) 2.298 7.902 ( 6.810 0.000 7.998) 10.504 8.531 ( 1.823 0.000 9.246) 9.424 8.695 ( -2.895 0.000 9.835) 10.253 8.830 ( -0.705 0.000 7.404) 7.437 9.044 ( 0.626 0.000 1.599) 1.718 9.069 ( -2.360 0.000 -3.124) 3.915 9.387 ( -1.829 0.000 -4.080) 4.471 9.502 ( 2.659 0.000 -3.143) 4.117 9.621 ( 1.748 0.000 0.415) 1.796 9.743 ( -3.031 0.000 -4.404) 5.347 9.864 ( 2.255 0.000 0.481) 2.306 10.495 ( -1.964 0.000 10.950) 11.125 10.962 ( 5.372 0.000 5.907) 7.985 11.103 ( -10.391 0.000 -10.980) 15.117 11.250 ( 0.960 0.000 12.339) 12.377 11.426 ( 1.657 0.000 -3.623) 3.984 12.164 ( -4.924 0.000 -9.432) 10.640 12.363 ( -0.643 0.000 -1.899) 2.005 12.993 ( -0.265 0.000 -4.525) 4.533 13.819 ( 6.518 0.000 10.721) 12.547 15.115 ( 4.986 0.000 11.738) 12.753 15.208 ( 3.607 0.000 -12.980) 13.472 15.869 ( -7.129 0.000 -1.491) 7.283 16.004 ( 0.410 0.000 -4.012) 4.032 16.133 ( 3.587 0.000 3.925) 5.317 16.390 ( -2.769 0.000 -11.937) 12.254 16.528 ( -1.610 0.000 0.335) 1.645 16.689 ( 2.845 0.000 -3.927) 4.849 16.892 ( 11.696 0.000 -7.552) 13.922 18.503 ( -4.203 0.000 31.740) 32.017 20.061 ( -6.566 0.000 -15.562) 16.891 ======================= Grid point 101 (33/170) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 18.241 0.000 4.833) 18.871 1.274 ( 14.236 0.000 18.849) 23.621 1.943 ( 5.730 0.000 6.054) 8.336 2.104 ( -1.250 0.000 -10.599) 10.672 2.187 ( 3.278 0.000 -16.807) 17.123 2.386 ( 0.019 0.000 -4.024) 4.024 2.768 ( -6.175 0.000 4.547) 7.668 2.805 ( 1.136 0.000 12.709) 12.759 2.974 ( -9.835 0.000 -0.725) 9.862 3.116 ( -3.796 0.000 -2.171) 4.373 3.385 ( -2.395 0.000 3.683) 4.393 3.650 ( -4.027 0.000 -6.771) 7.878 3.799 ( 1.107 0.000 1.176) 1.615 3.896 ( 1.435 0.000 -5.761) 5.937 3.983 ( -3.501 0.000 7.120) 7.935 4.197 ( 0.626 0.000 7.790) 7.815 4.298 ( 2.087 0.000 6.391) 6.723 4.640 ( 3.547 0.000 -2.049) 4.097 5.220 ( -13.190 0.000 1.710) 13.301 5.582 ( -11.275 0.000 -5.223) 12.426 6.048 ( -2.882 0.000 -7.936) 8.443 6.376 ( -1.726 0.000 -6.487) 6.712 6.713 ( -0.803 0.000 1.116) 1.375 6.768 ( -0.215 0.000 1.378) 1.395 7.004 ( 3.382 0.000 8.148) 8.822 7.139 ( -4.895 0.000 -4.622) 6.732 7.711 ( 1.725 0.000 -0.788) 1.896 7.778 ( 5.943 0.000 -4.486) 7.446 7.970 ( 12.575 0.000 -3.899) 13.166 8.073 ( 2.987 0.000 5.325) 6.106 8.451 ( -12.077 0.000 0.851) 12.107 8.814 ( -5.151 0.000 -5.812) 7.766 8.897 ( -11.088 0.000 -1.466) 11.184 8.907 ( 7.482 0.000 14.879) 16.655 9.099 ( 5.038 0.000 0.283) 5.046 9.391 ( 3.742 0.000 -1.699) 4.110 9.506 ( -1.244 0.000 -1.052) 1.629 9.614 ( 1.938 0.000 -1.851) 2.681 9.732 ( 4.869 0.000 0.963) 4.963 9.965 ( 4.769 0.000 4.912) 6.846 10.581 ( -3.563 0.000 9.462) 10.111 10.785 ( -10.865 0.000 -13.761) 17.534 11.142 ( 6.136 0.000 7.671) 9.823 11.372 ( -3.261 0.000 -3.185) 4.558 11.412 ( 2.805 0.000 14.141) 14.416 11.951 ( -6.183 0.000 -11.635) 13.176 12.324 ( -0.134 0.000 -4.512) 4.514 12.948 ( -1.399 0.000 -0.475) 1.477 14.120 ( 14.504 0.000 10.591) 17.959 15.130 ( 2.323 0.000 -9.299) 9.585 15.296 ( 1.664 0.000 9.790) 9.930 15.671 ( -2.305 0.000 -14.572) 14.753 16.025 ( 0.752 0.000 1.708) 1.866 16.194 ( -2.349 0.000 2.142) 3.179 16.259 ( -3.592 0.000 -2.786) 4.546 16.497 ( -0.879 0.000 -2.504) 2.654 16.791 ( 11.899 0.000 3.946) 12.537 17.013 ( 14.693 0.000 -9.921) 17.729 18.744 ( -8.335 0.000 29.374) 30.533 19.715 ( -11.448 0.000 -18.960) 22.148 ======================= Grid point 102 (34/170) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 10.263 0.000 -1.011) 10.313 1.713 ( 14.403 0.000 14.450) 20.402 1.848 ( -6.121 0.000 -8.142) 10.186 1.948 ( -6.086 0.000 -2.762) 6.683 2.159 ( 10.982 0.000 -13.539) 17.433 2.329 ( 0.423 0.000 -5.795) 5.810 2.679 ( -8.123 0.000 4.256) 9.171 2.818 ( -11.469 0.000 1.632) 11.585 2.969 ( -0.614 0.000 10.077) 10.095 3.003 ( -4.872 0.000 -4.893) 6.905 3.410 ( -2.259 0.000 7.049) 7.402 3.430 ( -10.755 0.000 -9.434) 14.307 3.882 ( 4.868 0.000 2.705) 5.569 3.914 ( 7.371 0.000 -4.762) 8.776 4.069 ( 2.336 0.000 10.062) 10.329 4.286 ( 1.393 0.000 4.535) 4.744 4.409 ( 3.118 0.000 5.716) 6.511 4.685 ( 4.776 0.000 -2.662) 5.468 5.031 ( -11.612 0.000 1.821) 11.754 5.322 ( -12.430 0.000 -5.803) 13.718 5.914 ( -3.396 0.000 -5.680) 6.618 6.310 ( -0.471 0.000 -2.586) 2.629 6.728 ( -2.578 0.000 3.581) 4.412 6.788 ( 1.892 0.000 0.918) 2.103 6.998 ( -4.628 0.000 -5.563) 7.236 7.139 ( 0.206 0.000 9.143) 9.146 7.749 ( 2.743 0.000 1.638) 3.195 7.836 ( 7.749 0.000 -4.124) 8.778 8.097 ( 9.044 0.000 -7.224) 11.575 8.102 ( -3.266 0.000 0.947) 3.400 8.270 ( -11.025 0.000 2.322) 11.267 8.510 ( -15.487 0.000 -6.880) 16.946 8.804 ( -2.627 0.000 -2.246) 3.456 9.163 ( 3.194 0.000 -0.738) 3.278 9.203 ( 10.608 0.000 9.716) 14.385 9.438 ( 1.404 0.000 0.332) 1.443 9.479 ( 3.506 0.000 -2.810) 4.493 9.703 ( 7.007 0.000 3.563) 7.861 9.844 ( 4.285 0.000 2.786) 5.112 10.105 ( 5.492 0.000 3.949) 6.764 10.471 ( -8.683 0.000 -11.282) 14.236 10.577 ( -5.387 0.000 4.188) 6.823 11.251 ( -2.115 0.000 5.854) 6.224 11.260 ( -5.919 0.000 -2.960) 6.618 11.706 ( 10.690 0.000 15.576) 18.891 11.713 ( -4.614 0.000 -14.419) 15.139 12.265 ( -1.670 0.000 -2.647) 3.130 12.927 ( -1.549 0.000 0.247) 1.568 14.502 ( 16.460 0.000 10.851) 19.715 15.075 ( -0.045 0.000 -4.607) 4.608 15.389 ( -1.500 0.000 7.513) 7.662 15.522 ( 4.499 0.000 -14.229) 14.923 16.033 ( -0.392 0.000 -0.660) 0.768 16.099 ( -9.322 0.000 -0.501) 9.335 16.205 ( -4.038 0.000 3.926) 5.632 16.448 ( -0.050 0.000 -4.365) 4.366 17.146 ( 19.260 0.000 10.210) 21.799 17.148 ( 16.520 0.000 -12.249) 20.566 18.877 ( -12.543 0.000 24.927) 27.905 19.284 ( -13.658 0.000 -20.138) 24.333 ======================= Grid point 103 (35/170) ======================= q-point: ( 0.36 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 2.991 0.000 1.095) 3.185 1.736 ( -0.278 0.000 -5.857) 5.864 1.739 ( -9.463 0.000 0.844) 9.501 2.161 ( 13.896 0.000 5.898) 15.096 2.201 ( 11.026 0.000 -10.544) 15.256 2.295 ( 4.010 0.000 -1.016) 4.137 2.617 ( -5.859 0.000 5.596) 8.102 2.648 ( -10.332 0.000 1.941) 10.513 2.874 ( -3.178 0.000 -5.005) 5.929 2.986 ( -8.282 0.000 4.208) 9.290 3.125 ( -11.554 0.000 -7.877) 13.983 3.446 ( -3.858 0.000 7.432) 8.374 3.969 ( 3.760 0.000 -0.444) 3.786 4.000 ( 8.879 0.000 -5.079) 10.229 4.231 ( 4.348 0.000 5.055) 6.668 4.330 ( 1.097 0.000 -1.117) 1.565 4.521 ( 3.275 0.000 4.169) 5.301 4.719 ( 3.396 0.000 -4.239) 5.431 4.902 ( -6.883 0.000 3.239) 7.607 5.062 ( -10.456 0.000 -5.723) 11.920 5.828 ( -2.274 0.000 -0.543) 2.338 6.289 ( -0.734 0.000 0.166) 0.752 6.688 ( -4.032 0.000 0.447) 4.057 6.846 ( 1.942 0.000 2.001) 2.788 6.884 ( -2.593 0.000 -3.585) 4.424 7.202 ( -0.617 0.000 3.065) 3.127 7.845 ( 4.189 0.000 5.115) 6.611 7.933 ( 5.460 0.000 -0.593) 5.492 8.024 ( -5.558 0.000 -0.095) 5.559 8.098 ( 2.771 0.000 -8.759) 9.187 8.138 ( -7.216 0.000 0.374) 7.225 8.251 ( -8.457 0.000 -0.657) 8.483 8.744 ( -0.324 0.000 -3.640) 3.654 9.218 ( 3.132 0.000 1.785) 3.604 9.427 ( 6.563 0.000 3.462) 7.420 9.456 ( 1.548 0.000 0.035) 1.549 9.546 ( 4.643 0.000 -0.304) 4.653 9.870 ( 4.775 0.000 5.947) 7.627 9.919 ( 1.751 0.000 2.048) 2.694 10.129 ( 1.850 0.000 -11.522) 11.669 10.369 ( 0.402 0.000 7.067) 7.078 10.526 ( -4.167 0.000 1.770) 4.527 11.112 ( -6.561 0.000 -5.187) 8.364 11.239 ( -4.580 0.000 3.018) 5.485 11.511 ( -0.127 0.000 -12.116) 12.116 12.012 ( 6.891 0.000 9.716) 11.912 12.230 ( -1.754 0.000 2.276) 2.874 12.891 ( -2.050 0.000 -1.458) 2.516 14.872 ( 13.048 0.000 10.260) 16.599 15.018 ( -0.977 0.000 -2.905) 3.065 15.441 ( -1.071 0.000 6.707) 6.792 15.503 ( 7.494 0.000 -7.946) 10.922 15.900 ( -12.855 0.000 -1.518) 12.944 16.023 ( 0.207 0.000 0.677) 0.708 16.189 ( -4.758 0.000 5.204) 7.051 16.407 ( 1.191 0.000 -4.384) 4.543 17.273 ( 16.615 0.000 -14.504) 22.055 17.574 ( 16.968 0.000 9.061) 19.236 18.858 ( -10.629 0.000 -17.223) 20.239 18.886 ( -16.043 0.000 18.939) 24.821 ======================= Grid point 104 (36/170) ======================= q-point: ( 0.45 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 2.302 0.000 12.179) 12.394 1.625 ( -6.717 0.000 3.667) 7.653 1.694 ( 5.802 0.000 -1.290) 5.944 2.229 ( 6.861 0.000 -8.458) 10.891 2.294 ( 11.920 0.000 -6.843) 13.745 2.471 ( 0.791 0.000 2.688) 2.801 2.504 ( -8.985 0.000 -1.337) 9.084 2.621 ( -10.254 0.000 2.960) 10.672 2.727 ( -3.833 0.000 -3.596) 5.256 2.825 ( 2.031 0.000 -1.331) 2.428 3.062 ( 0.479 0.000 7.916) 7.931 3.438 ( -5.591 0.000 5.049) 7.533 3.980 ( 0.932 0.000 -5.392) 5.472 4.073 ( 7.076 0.000 -5.701) 9.087 4.267 ( -1.988 0.000 -2.875) 3.495 4.284 ( -0.902 0.000 -7.680) 7.733 4.570 ( -1.493 0.000 -0.854) 1.720 4.709 ( 1.641 0.000 -3.276) 3.664 4.861 ( -2.804 0.000 1.622) 3.240 4.905 ( -0.890 0.000 -2.010) 2.198 5.843 ( 0.555 0.000 5.973) 5.999 6.284 ( -0.862 0.000 1.297) 1.557 6.630 ( -1.456 0.000 -2.046) 2.511 6.836 ( -0.340 0.000 -1.580) 1.617 6.877 ( -0.676 0.000 1.439) 1.590 7.195 ( -0.235 0.000 -2.767) 2.777 7.930 ( -4.448 0.000 -0.227) 4.454 7.958 ( 0.638 0.000 1.034) 1.215 7.980 ( 1.029 0.000 7.442) 7.513 8.041 ( 0.542 0.000 -6.683) 6.705 8.046 ( -1.986 0.000 -1.562) 2.527 8.261 ( 3.951 0.000 6.101) 7.268 8.720 ( 1.564 0.000 -2.630) 3.060 9.279 ( -0.740 0.000 3.319) 3.400 9.483 ( 0.751 0.000 0.839) 1.126 9.495 ( 1.485 0.000 -1.959) 2.458 9.601 ( 2.456 0.000 -0.496) 2.505 9.861 ( -3.893 0.000 -6.067) 7.208 9.955 ( -0.248 0.000 2.561) 2.573 10.168 ( 8.158 0.000 3.074) 8.718 10.427 ( -3.804 0.000 2.571) 4.591 10.490 ( -1.965 0.000 0.767) 2.109 10.963 ( -0.622 0.000 -7.162) 7.189 11.183 ( -3.901 0.000 -0.046) 3.901 11.488 ( 7.096 0.000 -2.157) 7.417 12.093 ( -3.936 0.000 -0.760) 4.009 12.271 ( 0.053 0.000 7.553) 7.553 12.842 ( -0.562 0.000 -2.634) 2.693 14.995 ( 1.155 0.000 -0.878) 1.451 15.108 ( 0.863 0.000 8.885) 8.927 15.508 ( -0.191 0.000 2.438) 2.446 15.561 ( 6.157 0.000 -2.690) 6.719 15.690 ( -7.999 0.000 1.755) 8.190 16.069 ( 2.049 0.000 3.798) 4.315 16.162 ( -5.233 0.000 5.524) 7.609 16.393 ( 2.531 0.000 -3.588) 4.391 17.368 ( 15.574 0.000 -15.864) 22.231 17.759 ( -1.821 0.000 -5.161) 5.472 18.689 ( 7.817 0.000 -1.986) 8.065 18.775 ( -18.306 0.000 11.872) 21.819 ======================= Grid point 105 (37/170) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -3.374 0.000 9.626) 10.200 1.611 ( 0.482 0.000 2.799) 2.840 1.981 ( 12.893 0.000 12.955) 18.277 2.206 ( -18.689 0.000 -7.727) 20.224 2.296 ( 6.609 0.000 -7.407) 9.927 2.326 ( -4.083 0.000 -5.636) 6.959 2.442 ( 11.394 0.000 -2.982) 11.777 2.455 ( -1.765 0.000 1.226) 2.149 2.807 ( 1.079 0.000 1.332) 1.714 2.885 ( 4.266 0.000 1.099) 4.406 3.278 ( 9.724 0.000 12.012) 15.455 3.386 ( -5.381 0.000 2.730) 6.034 3.876 ( -1.590 0.000 -11.268) 11.379 4.096 ( 3.460 0.000 -9.489) 10.100 4.115 ( -9.229 0.000 -5.823) 10.912 4.144 ( -2.494 0.000 -7.268) 7.684 4.467 ( -5.677 0.000 -3.453) 6.645 4.723 ( 4.400 0.000 -3.905) 5.883 4.826 ( -2.569 0.000 0.828) 2.699 4.987 ( 9.414 0.000 0.645) 9.437 5.972 ( 2.926 0.000 11.098) 11.478 6.296 ( 0.768 0.000 1.593) 1.769 6.609 ( 2.090 0.000 -2.414) 3.194 6.804 ( -0.291 0.000 -4.947) 4.955 6.856 ( -3.108 0.000 0.477) 3.145 7.149 ( -0.102 0.000 -3.196) 3.198 7.848 ( -5.166 0.000 -0.049) 5.166 7.983 ( -0.172 0.000 -3.220) 3.225 7.995 ( 2.422 0.000 -2.316) 3.351 8.061 ( 9.580 0.000 1.085) 9.641 8.110 ( 0.160 0.000 7.962) 7.964 8.426 ( 3.592 0.000 10.856) 11.435 8.725 ( 2.031 0.000 -2.536) 3.249 9.227 ( -5.994 0.000 -3.805) 7.100 9.432 ( -5.246 0.000 -3.695) 6.416 9.489 ( -0.854 0.000 0.202) 0.877 9.624 ( 0.524 0.000 1.134) 1.250 9.761 ( -0.692 0.000 -2.760) 2.845 9.972 ( -2.572 0.000 4.452) 5.141 10.226 ( -7.118 0.000 -4.891) 8.636 10.427 ( 5.420 0.000 7.999) 9.663 10.469 ( -0.715 0.000 -1.200) 1.397 10.965 ( 7.367 0.000 -3.917) 8.344 11.117 ( -1.946 0.000 -2.856) 3.456 11.663 ( 10.732 0.000 4.767) 11.743 11.878 ( -13.617 0.000 -9.484) 16.595 12.387 ( 1.455 0.000 10.148) 10.252 12.814 ( 0.997 0.000 -3.633) 3.767 15.043 ( 3.311 0.000 2.046) 3.892 15.054 ( -15.964 0.000 4.144) 16.494 15.415 ( -6.432 0.000 0.960) 6.503 15.638 ( 4.795 0.000 0.139) 4.797 15.790 ( 8.710 0.000 4.573) 9.837 16.091 ( -1.555 0.000 -0.861) 1.777 16.226 ( -0.306 0.000 13.631) 13.635 16.410 ( 3.327 0.000 -2.359) 4.078 17.431 ( 13.165 0.000 -15.149) 20.070 17.473 ( -14.223 0.000 -14.423) 20.256 18.555 ( -19.106 0.000 4.252) 19.573 18.997 ( 20.045 0.000 8.242) 21.673 ======================= Grid point 106 (38/170) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -12.933 0.000 0.128) 12.934 1.625 ( -9.437 0.000 -3.850) 10.192 1.837 ( -3.591 0.000 -4.368) 5.655 2.207 ( -3.380 0.000 13.722) 14.132 2.345 ( 9.770 0.000 -3.715) 10.453 2.384 ( 7.671 0.000 -2.537) 8.079 2.488 ( 3.194 0.000 0.725) 3.276 2.626 ( 11.851 0.000 1.957) 12.011 2.776 ( -3.850 0.000 -1.105) 4.006 2.960 ( 3.525 0.000 0.166) 3.529 3.334 ( -2.802 0.000 0.747) 2.900 3.553 ( 8.068 0.000 7.235) 10.837 3.740 ( 1.587 0.000 -9.155) 9.292 3.907 ( -7.888 0.000 -2.801) 8.371 3.936 ( 1.690 0.000 -15.382) 15.475 4.130 ( -1.615 0.000 2.890) 3.311 4.340 ( -5.762 0.000 -2.358) 6.226 4.715 ( -0.136 0.000 -4.140) 4.143 4.851 ( 5.580 0.000 -0.085) 5.581 5.182 ( 13.504 0.000 -0.337) 13.509 6.162 ( 3.113 0.000 12.562) 12.942 6.356 ( 3.896 0.000 2.796) 4.796 6.651 ( 4.713 0.000 0.199) 4.717 6.698 ( -0.801 0.000 -11.598) 11.626 6.791 ( -4.222 0.000 -0.759) 4.290 7.146 ( 1.748 0.000 -0.063) 1.749 7.772 ( -3.403 0.000 -0.136) 3.406 7.964 ( 0.185 0.000 -0.495) 0.529 8.038 ( 4.252 0.000 -1.738) 4.594 8.193 ( 0.492 0.000 7.443) 7.459 8.212 ( 7.519 0.000 -3.427) 8.264 8.631 ( 2.850 0.000 12.767) 13.081 8.720 ( 2.985 0.000 -1.832) 3.502 8.985 ( -11.110 0.000 -12.924) 17.043 9.303 ( -6.558 0.000 -0.822) 6.610 9.460 ( -1.825 0.000 -1.324) 2.254 9.663 ( 0.767 0.000 4.613) 4.676 9.742 ( -1.279 0.000 0.284) 1.310 9.962 ( -6.214 0.000 6.240) 8.806 10.027 ( -7.936 0.000 -4.228) 8.992 10.422 ( -1.582 0.000 -4.442) 4.715 10.649 ( 9.931 0.000 6.266) 11.743 11.059 ( 0.157 0.000 -4.760) 4.762 11.088 ( 9.803 0.000 -0.156) 9.805 11.498 ( -16.104 0.000 -11.668) 19.887 11.903 ( 9.375 0.000 7.186) 11.813 12.519 ( 0.731 0.000 9.143) 9.172 12.788 ( 1.845 0.000 -4.964) 5.296 14.763 ( -21.899 0.000 3.144) 22.123 15.140 ( 4.042 0.000 3.890) 5.610 15.328 ( -6.703 0.000 0.250) 6.707 15.722 ( 3.973 0.000 1.867) 4.390 15.978 ( 8.456 0.000 2.460) 8.806 16.057 ( -0.593 0.000 -1.283) 1.414 16.394 ( 0.442 0.000 15.359) 15.365 16.438 ( 2.600 0.000 -2.008) 3.285 17.076 ( -13.504 0.000 -12.525) 18.418 17.467 ( 9.214 0.000 -11.015) 14.361 18.248 ( -18.445 0.000 -3.484) 18.771 19.439 ( 20.991 0.000 8.425) 22.619 ======================= Grid point 107 (39/170) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -20.102 0.000 -8.317) 21.754 1.234 ( -23.907 0.000 -3.746) 24.199 1.976 ( 16.945 0.000 -4.846) 17.624 2.022 ( -25.617 0.000 -2.687) 25.757 2.420 ( 0.038 0.000 -12.118) 12.118 2.523 ( 0.404 0.000 6.975) 6.986 2.534 ( 8.043 0.000 7.268) 10.840 2.743 ( 0.392 0.000 2.584) 2.613 2.891 ( 13.972 0.000 6.273) 15.315 2.990 ( 2.584 0.000 -3.734) 4.540 3.336 ( 2.489 0.000 0.115) 2.492 3.623 ( 3.102 0.000 -8.250) 8.815 3.710 ( 1.798 0.000 -4.877) 5.198 3.873 ( 3.172 0.000 4.751) 5.713 3.926 ( 5.848 0.000 0.299) 5.855 4.125 ( -3.898 0.000 3.945) 5.546 4.231 ( -5.432 0.000 -0.310) 5.441 4.669 ( -0.536 0.000 -2.028) 2.098 4.981 ( 10.863 0.000 -1.157) 10.925 5.418 ( 15.993 0.000 -1.104) 16.031 6.312 ( 0.200 0.000 7.123) 7.126 6.468 ( 3.044 0.000 -0.343) 3.064 6.582 ( 6.563 0.000 -8.426) 10.681 6.717 ( -2.567 0.000 0.095) 2.569 6.778 ( 5.839 0.000 6.275) 8.572 7.184 ( 2.665 0.000 -0.650) 2.743 7.742 ( -0.504 0.000 0.220) 0.550 7.971 ( -0.948 0.000 2.447) 2.624 8.038 ( -4.162 0.000 0.013) 4.162 8.212 ( -2.457 0.000 -2.410) 3.442 8.325 ( 7.312 0.000 4.231) 8.448 8.586 ( -3.343 0.000 -8.737) 9.355 8.626 ( -12.324 0.000 -14.297) 18.875 8.933 ( 5.896 0.000 9.633) 11.294 9.195 ( -6.044 0.000 0.801) 6.097 9.404 ( -1.826 0.000 -1.982) 2.695 9.706 ( -2.755 0.000 -1.363) 3.074 9.751 ( 2.388 0.000 5.654) 6.137 9.906 ( -3.362 0.000 -0.383) 3.384 9.913 ( -7.495 0.000 6.521) 9.935 10.328 ( -3.276 0.000 -3.423) 4.738 10.875 ( 11.840 0.000 2.014) 12.010 11.015 ( 0.871 0.000 -4.881) 4.958 11.148 ( -11.465 0.000 -8.964) 14.554 11.263 ( 9.088 0.000 2.403) 9.400 12.112 ( 5.966 0.000 6.942) 9.154 12.599 ( -1.811 0.000 6.488) 6.736 12.778 ( 4.422 0.000 -5.417) 6.992 14.443 ( -22.929 0.000 6.375) 23.799 15.174 ( -9.235 0.000 -4.309) 10.190 15.244 ( 3.826 0.000 2.390) 4.511 15.802 ( 1.613 0.000 3.699) 4.036 16.054 ( 2.228 0.000 -1.244) 2.552 16.094 ( 3.265 0.000 -0.557) 3.312 16.441 ( 1.329 0.000 -2.029) 2.426 16.568 ( 1.678 0.000 11.903) 12.020 16.814 ( -5.133 0.000 -5.449) 7.486 17.505 ( 3.969 0.000 -0.507) 4.001 17.877 ( -16.184 0.000 -11.596) 19.909 19.846 ( 18.412 0.000 5.450) 19.202 ======================= Grid point 108 (40/170) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -21.879 0.000 -7.250) 23.049 0.823 ( -24.783 0.000 2.858) 24.947 1.457 ( -38.979 0.000 1.810) 39.021 2.126 ( 4.187 0.000 -12.980) 13.639 2.276 ( 6.160 0.000 -5.376) 8.176 2.629 ( 3.964 0.000 3.487) 5.279 2.683 ( 1.299 0.000 3.785) 4.002 2.785 ( -0.129 0.000 2.806) 2.809 2.941 ( 2.083 0.000 -6.194) 6.535 3.204 ( 12.350 0.000 4.741) 13.229 3.401 ( 5.007 0.000 0.163) 5.010 3.602 ( 4.141 0.000 -3.968) 5.735 3.710 ( 2.561 0.000 -0.915) 2.719 4.003 ( -3.102 0.000 4.953) 5.844 4.008 ( 3.755 0.000 5.331) 6.521 4.099 ( 0.946 0.000 -1.222) 1.545 4.160 ( -4.506 0.000 2.398) 5.105 4.655 ( 0.168 0.000 -0.544) 0.569 5.179 ( 13.563 0.000 -0.143) 13.564 5.670 ( 15.415 0.000 -1.213) 15.463 6.317 ( -2.839 0.000 -0.024) 2.839 6.403 ( 3.650 0.000 -11.485) 12.051 6.704 ( 0.814 0.000 -0.576) 0.998 6.792 ( 14.552 0.000 5.046) 15.402 6.997 ( 5.883 0.000 14.331) 15.492 7.203 ( 2.652 0.000 -4.133) 4.910 7.740 ( -1.289 0.000 -0.187) 1.302 7.877 ( -12.981 0.000 -3.378) 13.413 7.951 ( -6.222 0.000 1.253) 6.347 8.127 ( -10.814 0.000 7.889) 13.386 8.303 ( -7.041 0.000 -7.712) 10.443 8.393 ( -2.417 0.000 -13.221) 13.440 8.512 ( 7.518 0.000 1.495) 7.665 8.986 ( -1.877 0.000 -2.922) 3.473 9.162 ( -0.103 0.000 4.393) 4.394 9.408 ( 2.412 0.000 0.841) 2.554 9.611 ( -4.996 0.000 -4.384) 6.647 9.793 ( -3.032 0.000 -0.877) 3.156 9.893 ( -0.091 0.000 1.590) 1.593 9.913 ( 0.037 0.000 4.413) 4.413 10.308 ( -1.664 0.000 9.988) 10.126 10.907 ( -7.268 0.000 -6.218) 9.565 10.991 ( 1.522 0.000 -4.056) 4.332 11.083 ( 12.926 0.000 -1.385) 13.000 11.412 ( 5.198 0.000 2.088) 5.601 12.245 ( 2.969 0.000 3.557) 4.633 12.603 ( -5.075 0.000 4.459) 6.756 12.823 ( 8.668 0.000 -5.532) 10.283 14.152 ( -23.522 0.000 9.555) 25.389 14.961 ( -8.284 0.000 -5.409) 9.894 15.310 ( 4.091 0.000 -2.353) 4.719 15.848 ( -1.485 0.000 4.316) 4.564 16.077 ( -1.551 0.000 -2.230) 2.716 16.102 ( 3.371 0.000 0.751) 3.454 16.479 ( 3.401 0.000 1.498) 3.717 16.695 ( 4.000 0.000 1.735) 4.360 16.749 ( 0.450 0.000 -2.115) 2.163 17.456 ( -18.516 0.000 -9.973) 21.031 17.625 ( 5.071 0.000 7.481) 9.037 20.147 ( 13.494 0.000 0.720) 13.513 ======================= Grid point 109 (41/170) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -12.600 0.000 25.803) 28.715 0.522 ( -22.183 0.000 15.666) 27.157 0.869 ( -41.457 0.000 15.981) 44.430 1.994 ( -0.702 0.000 -5.707) 5.750 2.370 ( 11.675 0.000 -12.512) 17.113 2.638 ( -1.518 0.000 -9.076) 9.202 2.724 ( 4.417 0.000 1.132) 4.560 2.801 ( -3.280 0.000 5.123) 6.083 2.967 ( 3.573 0.000 1.675) 3.946 3.367 ( 4.013 0.000 1.115) 4.165 3.491 ( 5.136 0.000 -1.743) 5.423 3.672 ( 3.498 0.000 4.243) 5.499 3.778 ( 3.731 0.000 3.816) 5.337 3.932 ( -5.917 0.000 -0.510) 5.939 4.086 ( 0.219 0.000 2.767) 2.775 4.132 ( -3.764 0.000 4.062) 5.538 4.139 ( 2.583 0.000 0.137) 2.587 4.648 ( 0.045 0.000 -1.297) 1.297 5.386 ( 9.836 0.000 0.713) 9.862 5.859 ( 8.725 0.000 -2.088) 8.971 6.264 ( -1.510 0.000 -2.385) 2.822 6.390 ( 9.594 0.000 -9.787) 13.706 6.712 ( 0.849 0.000 -0.646) 1.067 7.068 ( 7.772 0.000 2.621) 8.203 7.194 ( 8.914 0.000 -8.721) 12.471 7.264 ( 6.354 0.000 14.607) 15.929 7.486 ( -17.780 0.000 -9.448) 20.134 7.754 ( -14.057 0.000 -4.635) 14.801 7.770 ( -0.530 0.000 0.150) 0.551 7.983 ( -14.458 0.000 8.000) 16.523 8.216 ( -1.311 0.000 3.994) 4.204 8.394 ( 7.109 0.000 5.950) 9.271 8.615 ( 3.411 0.000 0.947) 3.540 8.921 ( 1.522 0.000 -4.922) 5.151 9.290 ( 6.628 0.000 6.439) 9.241 9.450 ( -7.411 0.000 -5.245) 9.079 9.453 ( 2.738 0.000 -0.598) 2.803 9.675 ( -6.805 0.000 -3.401) 7.607 9.906 ( 0.132 0.000 -0.264) 0.295 9.930 ( 0.860 0.000 -2.370) 2.521 10.446 ( -4.626 0.000 16.580) 17.214 10.712 ( -6.720 0.000 -14.791) 16.246 11.003 ( 1.479 0.000 2.285) 2.722 11.264 ( 11.956 0.000 -3.310) 12.406 11.457 ( -1.101 0.000 -0.841) 1.386 12.295 ( 2.633 0.000 -2.269) 3.476 12.537 ( -8.241 0.000 3.602) 8.994 12.938 ( 12.732 0.000 -5.461) 13.853 13.885 ( -21.740 0.000 10.755) 24.255 14.842 ( -2.179 0.000 1.130) 2.455 15.325 ( 4.738 0.000 -8.074) 9.361 15.864 ( -2.064 0.000 4.489) 4.941 16.046 ( -0.205 0.000 -0.291) 0.356 16.151 ( -0.521 0.000 2.460) 2.514 16.569 ( 3.626 0.000 3.414) 4.980 16.746 ( 7.443 0.000 -8.355) 11.189 16.748 ( 1.872 0.000 -2.175) 2.870 17.032 ( -13.431 0.000 -17.128) 21.766 17.868 ( 1.192 0.000 25.032) 25.060 20.294 ( 7.006 0.000 -4.926) 8.565 ======================= Grid point 110 (42/170) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -0.861 20.724 6.758) 21.815 0.847 ( 1.407 15.774 21.386) 26.611 1.297 ( -4.025 28.670 25.942) 38.873 2.045 ( 7.992 0.769 -1.845) 8.238 2.306 ( 3.531 -4.246 -13.629) 14.705 2.550 ( 3.019 3.329 -8.026) 9.199 2.752 ( 1.098 -2.861 3.620) 4.743 2.821 ( -5.658 0.608 4.852) 7.478 3.075 ( 1.839 2.339 -1.169) 3.197 3.362 ( 0.554 -4.615 0.455) 4.670 3.416 ( -2.867 -4.603 -6.387) 8.379 3.712 ( -1.347 -4.246 2.839) 5.282 3.819 ( 1.576 0.542 7.007) 7.203 3.897 ( -0.890 2.889 -3.555) 4.666 4.052 ( -2.288 -0.925 0.105) 2.470 4.128 ( -2.518 -0.573 2.383) 3.514 4.189 ( 0.385 2.033 4.267) 4.742 4.584 ( -0.064 -6.058 -2.642) 6.609 5.474 ( -0.075 -0.745 0.113) 0.758 5.824 ( 0.026 -6.633 -3.619) 7.556 6.185 ( -0.876 -3.111 -2.768) 4.255 6.345 ( 5.213 -9.844 -3.327) 11.626 6.758 ( 4.166 0.932 -2.782) 5.095 6.942 ( -7.115 -5.410 -7.709) 11.803 7.135 ( -11.537 2.656 -8.428) 14.533 7.330 ( 6.235 2.114 -5.557) 8.615 7.462 ( 6.325 -4.847 6.423) 10.235 7.597 ( 1.883 -0.509 1.749) 2.620 7.746 ( 0.089 -3.102 1.733) 3.554 7.849 ( -4.746 -2.744 3.183) 6.339 8.358 ( 2.049 2.081 10.114) 10.527 8.572 ( 4.141 -4.125 9.343) 11.021 8.662 ( 0.279 -0.344 9.321) 9.331 8.950 ( 4.346 -0.928 -0.026) 4.444 9.269 ( -5.419 2.887 -5.382) 8.165 9.451 ( 3.387 1.259 -1.444) 3.891 9.513 ( -4.406 -0.114 -5.308) 6.899 9.632 ( 5.049 6.724 3.725) 9.197 9.847 ( -3.421 1.431 -6.208) 7.232 9.999 ( -0.784 6.720 -0.798) 6.813 10.419 ( -7.089 0.779 3.477) 7.934 10.747 ( 6.193 -0.529 10.328) 12.055 11.039 ( 1.979 -4.888 8.168) 9.722 11.305 ( -6.043 -5.168 -5.595) 9.722 11.459 ( 6.030 4.190 -4.650) 8.691 12.332 ( 0.090 2.669 -8.178) 8.603 12.453 ( -5.723 2.415 3.831) 7.298 12.976 ( 5.386 -3.310 -5.603) 8.447 13.780 ( -8.246 6.163 10.007) 14.357 14.928 ( 4.052 1.197 6.666) 7.892 15.262 ( 2.773 -1.821 -9.568) 10.126 15.761 ( -1.730 -8.084 4.643) 9.482 16.158 ( 0.811 1.894 -0.025) 2.060 16.181 ( -4.740 2.937 -1.825) 5.867 16.443 ( -0.714 -5.325 -12.301) 13.423 16.724 ( 7.479 -0.013 -6.295) 9.776 16.791 ( -3.930 6.767 -2.853) 8.329 16.932 ( 1.028 16.006 -7.898) 17.878 18.149 ( -0.743 -4.464 30.040) 30.379 20.155 ( -0.083 -10.117 -10.311) 14.446 ======================= Grid point 111 (43/170) ======================= q-point: ( 0.09 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 15.006 16.786 5.405) 23.155 1.104 ( 4.887 17.873 16.663) 24.920 1.660 ( 10.909 9.209 19.444) 24.123 2.134 ( 7.839 -1.160 -12.144) 14.501 2.272 ( 5.049 0.376 -3.606) 6.216 2.519 ( 1.400 4.912 -1.568) 5.343 2.734 ( -6.463 3.458 3.511) 8.127 2.797 ( -3.414 -3.562 2.895) 5.721 3.085 ( -0.013 -0.093 -0.065) 0.114 3.222 ( -9.335 -4.862 -7.396) 12.864 3.362 ( -2.098 -3.414 2.422) 4.682 3.679 ( -2.989 -5.112 -1.345) 6.073 3.836 ( -1.370 2.904 -1.207) 3.430 3.933 ( 1.235 0.518 2.575) 2.902 4.004 ( -4.099 -0.117 2.581) 4.845 4.114 ( -1.443 -0.930 2.954) 3.417 4.255 ( 1.391 3.525 4.509) 5.890 4.564 ( 1.466 -5.969 -2.599) 6.674 5.395 ( -9.130 -0.680 0.456) 9.167 5.724 ( -6.235 -6.027 -4.450) 9.747 6.132 ( -1.333 -2.603 -4.184) 5.105 6.352 ( 0.925 -9.235 -4.600) 10.359 6.728 ( -6.275 -6.155 -6.161) 10.734 6.811 ( 3.077 -0.215 1.264) 3.334 6.938 ( -4.925 5.672 -2.091) 7.797 7.304 ( -1.103 4.042 -3.655) 5.560 7.619 ( 7.439 -4.695 0.235) 8.800 7.684 ( 4.427 -1.897 -1.869) 5.167 7.788 ( 1.555 -4.902 1.399) 5.330 7.899 ( 7.655 -1.940 3.957) 8.833 8.531 ( 0.798 -0.492 7.168) 7.229 8.640 ( -0.631 -3.634 10.506) 11.135 8.818 ( 0.486 -0.092 9.022) 9.036 8.999 ( -0.993 -1.752 1.621) 2.585 9.174 ( 1.119 5.584 -4.874) 7.496 9.365 ( -1.823 -2.757 -6.726) 7.494 9.509 ( 2.462 3.987 -0.642) 4.730 9.722 ( -1.600 1.923 -4.423) 5.081 9.752 ( 3.061 7.100 2.458) 8.113 9.957 ( -0.655 6.697 -1.810) 6.968 10.433 ( -1.139 -3.837 9.853) 10.635 10.920 ( 2.300 -2.799 5.893) 6.917 11.079 ( -6.124 -2.434 -9.524) 11.582 11.204 ( 0.717 -3.226 12.695) 13.118 11.487 ( 3.146 4.919 -4.084) 7.125 12.178 ( -4.852 1.202 -9.198) 10.468 12.427 ( -1.354 5.483 -0.459) 5.666 12.952 ( -1.307 -3.359 -2.641) 4.468 13.893 ( 7.309 6.862 9.855) 14.058 15.096 ( 6.250 -1.972 3.933) 7.643 15.212 ( 2.945 1.088 -5.781) 6.579 15.763 ( -5.041 -7.770 2.975) 9.728 16.018 ( -1.384 1.475 -9.394) 9.609 16.246 ( 3.267 3.191 -0.029) 4.567 16.276 ( -0.629 -6.683 -6.099) 9.069 16.740 ( 0.183 11.890 -1.926) 12.046 16.793 ( 3.948 10.215 -4.394) 11.800 16.881 ( 4.898 2.633 -6.075) 8.236 18.452 ( -4.116 -4.865 30.660) 31.315 19.956 ( -6.571 -9.745 -15.111) 19.144 ======================= Grid point 112 (44/170) ======================= q-point: ( 0.18 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 17.217 12.278 3.253) 21.395 1.398 ( 9.460 10.472 14.679) 20.362 1.925 ( 10.173 -3.432 -5.628) 12.122 2.066 ( -4.417 2.369 -4.996) 7.077 2.229 ( -0.217 3.122 -10.706) 11.154 2.542 ( 0.386 9.404 -3.136) 9.921 2.722 ( -7.154 -4.404 0.604) 8.423 2.759 ( -0.360 -2.723 12.613) 12.908 3.007 ( -8.068 2.346 1.032) 8.466 3.078 ( -1.965 -4.538 -3.205) 5.893 3.370 ( -2.331 -1.468 5.808) 6.428 3.586 ( -4.910 -5.718 -4.303) 8.678 3.810 ( 0.242 0.262 0.067) 0.363 3.903 ( -0.318 1.360 -4.385) 4.602 4.015 ( -1.955 1.841 7.787) 8.237 4.179 ( 1.552 -0.486 6.672) 6.868 4.327 ( 1.557 1.866 3.659) 4.392 4.579 ( 3.306 -5.886 -1.854) 7.000 5.221 ( -12.073 0.014 0.983) 12.113 5.536 ( -9.931 -4.323 -4.597) 11.766 6.031 ( -3.582 -1.657 -6.233) 7.378 6.303 ( 0.143 -5.570 -4.222) 6.991 6.646 ( 1.475 -6.401 -1.747) 6.797 6.830 ( -2.773 4.641 1.241) 5.547 6.949 ( 0.905 -4.106 7.668) 8.745 7.221 ( -4.493 6.030 -2.960) 8.081 7.652 ( 0.571 -4.697 -2.325) 5.272 7.757 ( 5.697 -3.491 -2.446) 7.115 7.859 ( 6.269 -7.324 -0.652) 9.663 8.073 ( 7.202 -1.765 1.403) 7.547 8.473 ( -7.518 2.086 1.568) 7.959 8.803 ( -0.985 -1.441 5.191) 5.476 8.881 ( -5.987 1.609 -2.191) 6.575 8.960 ( 3.649 3.017 7.783) 9.110 9.150 ( 3.935 3.926 -4.306) 7.032 9.327 ( 2.334 -5.878 -1.994) 6.632 9.520 ( 1.579 3.961 -2.119) 4.762 9.694 ( -0.267 5.524 -2.310) 5.993 9.817 ( 5.129 6.860 2.282) 8.865 10.008 ( 4.084 3.554 4.493) 7.036 10.527 ( -2.236 -5.115 8.934) 10.535 10.786 ( -8.987 -0.201 -11.577) 14.657 11.023 ( -0.550 -8.240 3.659) 9.032 11.367 ( 0.579 -1.501 5.630) 5.855 11.527 ( 5.587 10.103 6.493) 13.246 11.999 ( -3.283 4.087 -10.593) 11.820 12.380 ( -2.319 5.164 -2.466) 6.174 12.910 ( -1.997 -3.373 0.428) 3.943 14.194 ( 14.746 6.632 9.951) 18.986 15.116 ( 4.429 -0.926 -10.535) 11.466 15.288 ( -0.145 -0.373 8.233) 8.242 15.648 ( -2.703 -2.060 -8.061) 8.748 15.974 ( 1.601 -2.218 -1.766) 3.256 16.132 ( -2.783 -5.987 -5.005) 8.285 16.411 ( 3.582 10.151 4.090) 11.515 16.712 ( -1.089 13.969 -1.805) 14.127 16.805 ( 4.981 5.940 2.664) 8.197 16.967 ( 13.722 -4.353 -9.633) 17.322 18.682 ( -8.248 -5.693 28.365) 30.083 19.616 ( -11.478 -9.291 -18.438) 23.622 ======================= Grid point 113 (45/170) ======================= q-point: ( 0.27 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 8.357 9.273 -0.785) 12.508 1.718 ( 9.535 0.800 9.922) 13.785 1.877 ( -5.178 1.954 -6.985) 8.911 1.919 ( 0.966 -1.202 -6.950) 7.119 2.151 ( 5.587 2.015 -8.437) 10.318 2.488 ( -0.682 10.741 -4.408) 11.630 2.593 ( -9.554 -5.501 2.802) 11.375 2.881 ( -6.477 -0.982 4.984) 8.231 2.912 ( -3.332 0.703 6.000) 6.899 2.974 ( -4.392 -4.485 -5.438) 8.305 3.368 ( -6.637 -3.050 -1.663) 7.491 3.442 ( -6.010 -0.641 2.421) 6.511 3.871 ( 6.337 -1.980 0.332) 6.647 3.893 ( 3.637 -0.955 -2.031) 4.274 4.129 ( 2.857 4.614 10.724) 12.019 4.272 ( 2.180 -0.371 3.483) 4.125 4.387 ( 1.520 -2.472 2.821) 4.047 4.619 ( 3.791 -5.959 -2.232) 7.407 5.042 ( -10.648 0.928 1.217) 10.757 5.311 ( -10.632 -1.454 -4.751) 11.735 5.906 ( -3.564 -0.834 -4.473) 5.780 6.280 ( 0.969 -2.482 -1.471) 3.044 6.701 ( 4.675 -5.075 0.867) 6.954 6.787 ( -4.071 3.454 1.296) 5.494 7.048 ( 0.583 -7.136 5.853) 9.248 7.102 ( -6.433 6.567 -1.128) 9.262 7.629 ( -0.402 -8.070 -1.435) 8.206 7.814 ( 3.042 -8.765 -2.191) 9.533 7.938 ( 4.464 -2.155 1.025) 5.062 8.134 ( 1.653 -1.398 -3.535) 4.145 8.386 ( -5.832 6.799 1.816) 9.140 8.628 ( -8.984 10.495 -7.364) 15.656 8.796 ( -2.519 -0.810 -1.785) 3.192 9.157 ( 2.669 -0.206 1.987) 3.334 9.234 ( 10.944 2.162 4.014) 11.855 9.388 ( 3.748 -3.808 2.927) 6.092 9.529 ( 3.193 4.469 -2.770) 6.152 9.703 ( 4.393 1.573 -0.568) 4.700 9.934 ( 4.072 6.486 2.655) 8.105 10.145 ( 4.937 3.093 5.300) 7.876 10.510 ( -9.274 2.141 -7.531) 12.138 10.550 ( -2.429 -1.823 1.836) 3.548 11.028 ( -4.019 -12.994 3.790) 14.119 11.336 ( -3.452 2.057 -1.645) 4.342 11.750 ( 1.812 6.828 0.733) 7.102 11.887 ( 6.728 10.724 -0.038) 12.659 12.309 ( -3.314 4.492 -1.007) 5.673 12.891 ( -1.620 -3.305 0.956) 3.802 14.569 ( 16.356 5.834 9.911) 19.995 15.064 ( 0.874 0.164 -6.432) 6.493 15.332 ( -0.864 -3.798 2.737) 4.760 15.562 ( 2.291 2.901 -5.891) 6.955 15.977 ( -0.580 -3.397 -0.009) 3.446 16.064 ( -1.882 -2.502 -1.262) 3.375 16.387 ( -6.139 14.908 -0.429) 16.128 16.662 ( -2.810 15.641 -1.508) 15.963 17.075 ( 17.304 -5.457 -5.128) 18.855 17.111 ( 16.704 -3.797 3.090) 17.406 18.806 ( -12.421 -6.485 23.937) 27.737 19.189 ( -13.835 -8.967 -19.594) 25.607 ======================= Grid point 114 (46/170) ======================= q-point: ( 0.36 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 2.112 7.831 1.949) 8.342 1.721 ( -5.526 -0.875 -0.081) 5.596 1.776 ( -2.863 2.604 -5.525) 6.746 2.061 ( 14.068 -4.886 -6.175) 16.122 2.233 ( 9.490 2.124 3.209) 10.240 2.431 ( -0.658 9.023 -2.857) 9.487 2.504 ( -5.931 -5.300 5.069) 9.432 2.749 ( -9.397 4.233 0.933) 10.348 2.839 ( -3.313 -2.222 -4.006) 5.653 2.935 ( -5.242 -4.242 4.405) 8.055 3.140 ( -10.123 0.203 -6.838) 12.218 3.429 ( -4.832 -2.255 6.083) 8.090 3.944 ( 3.384 -2.167 -0.678) 4.076 3.992 ( 9.061 -1.153 -3.143) 9.659 4.285 ( 3.353 4.141 4.600) 7.039 4.314 ( 1.656 -0.501 -2.169) 2.774 4.453 ( 2.392 -6.297 3.506) 7.594 4.638 ( 2.272 -6.818 -3.612) 8.044 4.908 ( -8.123 0.929 2.308) 8.496 5.097 ( -8.141 1.748 -4.657) 9.541 5.832 ( -1.846 0.219 -0.140) 1.865 6.296 ( 1.171 0.546 0.733) 1.486 6.727 ( -3.953 3.270 -0.009) 5.130 6.790 ( 4.288 -2.470 0.991) 5.047 6.988 ( -3.896 6.318 -2.346) 7.785 7.098 ( -1.448 -9.101 3.393) 9.820 7.617 ( -0.279 -12.728 0.547) 12.743 7.774 ( -3.779 -13.883 -1.788) 14.499 8.049 ( 0.048 1.612 -1.026) 1.911 8.104 ( 5.412 1.916 1.342) 5.896 8.300 ( -5.163 10.570 0.363) 11.769 8.460 ( -3.937 13.832 -4.343) 15.023 8.735 ( 0.057 -0.871 -4.727) 4.807 9.211 ( 2.832 -0.371 1.512) 3.232 9.424 ( 4.512 -2.202 3.369) 6.046 9.490 ( 4.959 2.234 1.598) 5.668 9.582 ( 5.159 4.790 -0.066) 7.041 9.800 ( 5.513 -2.060 2.193) 6.281 9.988 ( -0.292 4.953 0.136) 4.964 10.219 ( 1.708 5.643 -5.568) 8.109 10.350 ( -2.983 -1.124 2.567) 4.093 10.551 ( -1.477 1.187 3.491) 3.972 10.975 ( -4.215 -10.163 -0.790) 11.031 11.259 ( -4.245 1.826 0.003) 4.621 11.641 ( -0.281 10.857 -9.166) 14.212 12.103 ( 6.841 6.964 3.746) 10.456 12.278 ( -1.968 4.954 4.974) 7.291 12.865 ( -1.882 -2.477 -0.819) 3.216 14.899 ( 10.119 1.623 3.601) 10.863 15.032 ( 2.012 2.647 2.576) 4.206 15.356 ( 1.496 -4.228 1.438) 4.710 15.585 ( 3.695 5.591 0.189) 6.704 15.934 ( -6.226 -0.056 -0.552) 6.251 16.019 ( -0.977 1.409 0.025) 1.715 16.293 ( -3.978 10.172 0.806) 10.952 16.590 ( -3.047 14.692 -2.376) 15.192 17.206 ( 16.774 -5.565 -14.627) 22.941 17.522 ( 16.761 -4.907 9.809) 20.031 18.753 ( -11.587 -9.677 -13.804) 20.456 18.817 ( -15.417 -6.644 14.858) 22.418 ======================= Grid point 115 (47/170) ======================= q-point: ( 0.45 0.12 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -1.205 5.581 8.904) 10.577 1.636 ( -3.974 1.363 5.039) 6.561 1.712 ( 5.782 1.355 -1.858) 6.223 2.159 ( 11.894 -3.421 -10.511) 16.238 2.382 ( 3.642 2.389 -2.212) 4.885 2.435 ( -2.836 -1.823 3.219) 4.662 2.481 ( -3.872 0.688 0.679) 3.991 2.603 ( -6.759 -0.406 0.756) 6.814 2.785 ( -3.323 3.367 -1.201) 4.880 2.857 ( -0.208 1.997 -0.290) 2.029 3.034 ( 0.888 -2.234 4.865) 5.427 3.399 ( -5.276 -3.804 3.428) 7.352 3.955 ( 1.233 -2.167 -4.891) 5.490 4.079 ( 5.842 -0.360 -3.780) 6.967 4.261 ( -0.972 -0.506 -8.825) 8.893 4.304 ( -1.692 2.196 -4.078) 4.931 4.506 ( -1.188 -6.108 0.290) 6.229 4.635 ( 3.701 -7.135 -2.753) 8.496 4.822 ( -5.443 0.509 2.964) 6.218 4.978 ( -0.691 2.927 -2.753) 4.077 5.847 ( 0.451 0.217 4.923) 4.948 6.321 ( -0.011 3.007 1.544) 3.380 6.666 ( -1.784 3.208 -1.827) 4.100 6.859 ( 3.215 1.644 0.025) 3.611 6.912 ( -4.264 2.935 -0.304) 5.185 7.088 ( -0.197 -9.087 -2.100) 9.329 7.641 ( 1.645 -14.819 2.240) 15.077 7.693 ( -3.559 -13.565 -0.368) 14.029 7.985 ( -0.356 -2.381 -4.474) 5.081 8.195 ( -2.275 5.098 3.468) 6.572 8.302 ( 0.495 15.573 1.130) 15.622 8.412 ( 4.198 11.169 2.335) 12.159 8.701 ( 1.902 -1.188 -4.383) 4.923 9.265 ( -0.190 -0.479 2.583) 2.634 9.477 ( -1.008 -2.408 2.081) 3.338 9.555 ( 3.730 4.681 -1.868) 6.271 9.660 ( 1.651 5.744 1.250) 6.106 9.882 ( -1.591 0.211 -1.860) 2.457 9.937 ( 0.884 2.301 -0.032) 2.465 10.225 ( 4.283 4.085 1.185) 6.036 10.353 ( -1.581 -3.539 -0.076) 3.877 10.544 ( -3.753 0.603 1.279) 4.010 10.896 ( -0.812 -4.140 -3.833) 5.700 11.207 ( -2.591 1.744 0.817) 3.228 11.618 ( 5.621 11.629 -1.907) 13.056 12.146 ( -0.769 4.332 -3.011) 5.331 12.333 ( -1.688 5.611 7.203) 9.285 12.817 ( -1.013 -2.280 -2.828) 3.772 14.956 ( 3.027 -1.362 -1.999) 3.875 15.186 ( -1.015 4.219 11.975) 12.737 15.424 ( 5.092 -2.645 -0.233) 5.743 15.594 ( -8.609 3.041 1.184) 9.206 15.849 ( 3.684 10.167 0.257) 10.817 16.059 ( 0.920 -0.932 6.368) 6.501 16.257 ( -3.114 8.809 1.193) 9.420 16.526 ( -0.146 11.708 -3.516) 12.225 17.305 ( 15.498 -5.464 -15.425) 22.539 17.716 ( -2.067 -4.036 -4.527) 6.408 18.573 ( 5.985 -10.937 -1.554) 12.564 18.704 ( -16.181 -6.554 10.941) 20.603 ======================= Grid point 116 (48/170) ======================= q-point: (-0.45 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -3.037 -1.425 4.217) 5.389 1.675 ( 0.697 3.895 4.299) 5.842 1.974 ( 9.087 0.251 8.091) 12.170 2.203 ( -6.910 -1.065 -2.479) 7.418 2.273 ( 3.553 1.942 -3.772) 5.534 2.358 ( -5.234 -0.730 -0.679) 5.328 2.505 ( 2.515 6.636 -5.701) 9.103 2.517 ( 4.176 4.093 2.679) 6.432 2.810 ( 2.368 0.205 0.637) 2.460 2.892 ( 2.458 0.256 0.986) 2.661 3.221 ( 8.083 -4.726 10.107) 13.777 3.340 ( -4.060 -4.380 0.763) 6.021 3.883 ( -0.147 0.320 -9.035) 9.042 4.081 ( -2.989 -3.672 -6.028) 7.665 4.101 ( -3.075 -0.398 -7.005) 7.661 4.155 ( -3.767 2.491 -11.428) 12.288 4.436 ( -3.890 -3.026 -1.125) 5.055 4.685 ( 3.906 -5.657 -2.915) 7.467 4.803 ( -0.547 0.825 2.160) 2.376 5.015 ( 7.406 1.247 -0.904) 7.564 5.953 ( 2.254 -1.630 9.592) 9.987 6.328 ( -0.842 2.434 1.628) 3.047 6.643 ( 1.957 3.229 -2.476) 4.515 6.816 ( -3.805 -0.853 -4.653) 6.071 6.871 ( -1.917 1.612 -1.713) 3.035 7.083 ( 2.509 -4.404 -0.338) 5.080 7.644 ( -1.470 -11.501 0.706) 11.616 7.746 ( 6.638 -14.448 1.310) 15.953 7.949 ( -0.656 -5.240 -0.052) 5.282 8.207 ( 0.690 6.497 0.926) 6.599 8.267 ( -0.941 11.556 -1.515) 11.693 8.587 ( 4.701 6.856 6.818) 10.751 8.698 ( 3.072 2.831 -1.471) 4.429 9.234 ( -4.325 1.631 -2.319) 5.171 9.451 ( -3.761 -0.339 -0.034) 3.776 9.543 ( -4.427 4.681 -0.140) 6.444 9.673 ( 0.470 3.744 1.653) 4.120 9.818 ( -1.062 5.587 -1.124) 5.797 9.974 ( -0.648 0.616 2.167) 2.344 10.232 ( -6.676 0.689 -4.475) 8.067 10.375 ( 4.804 -1.789 3.432) 6.169 10.494 ( 1.063 -2.403 -1.907) 3.247 10.886 ( 1.290 -2.335 0.950) 2.832 11.191 ( 1.230 3.841 -1.725) 4.386 11.752 ( 6.882 8.294 3.360) 11.289 11.996 ( -8.031 10.039 -8.964) 15.673 12.401 ( -0.105 1.306 8.594) 8.693 12.775 ( 0.566 -3.489 -4.112) 5.423 15.008 ( 1.390 0.133 2.449) 2.819 15.173 ( -13.790 7.874 4.846) 16.603 15.395 ( -3.744 -1.813 0.609) 4.205 15.545 ( 1.456 -2.777 3.134) 4.433 16.007 ( 7.888 11.683 4.128) 14.688 16.183 ( 3.629 6.482 2.328) 7.785 16.209 ( -4.254 2.495 8.587) 9.902 16.516 ( 3.424 9.319 -3.855) 10.650 17.351 ( 5.390 -6.795 -14.569) 16.955 17.448 ( -7.156 -2.921 -13.733) 15.759 18.478 ( -17.993 -6.927 3.918) 19.674 18.896 ( 19.798 -9.612 8.311) 23.525 ======================= Grid point 117 (49/170) ======================= q-point: (-0.36 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -6.886 -0.936 -0.353) 6.958 1.678 ( -7.877 5.994 -2.752) 10.274 1.879 ( -2.473 3.734 -3.718) 5.821 2.243 ( -1.065 0.855 11.771) 11.850 2.334 ( 0.784 1.696 2.888) 3.440 2.404 ( 10.440 0.651 -4.001) 11.200 2.545 ( 4.966 5.398 -0.931) 7.393 2.649 ( 6.651 1.436 3.592) 7.694 2.795 ( -1.676 2.248 -2.276) 3.611 2.952 ( 3.214 -1.645 -0.309) 3.624 3.276 ( -2.058 -5.219 -0.631) 5.645 3.456 ( 6.963 -7.086 5.836) 11.521 3.773 ( 1.506 1.318 -10.583) 10.771 3.902 ( -6.093 -0.192 -3.830) 7.199 3.965 ( 0.245 1.606 -10.213) 10.342 4.063 ( -2.184 -3.880 -0.607) 4.494 4.386 ( -2.372 2.351 0.957) 3.474 4.669 ( -1.285 -4.996 -2.604) 5.778 4.865 ( 6.665 1.622 -0.681) 6.893 5.172 ( 12.065 -1.178 -0.889) 12.154 6.115 ( 2.209 -3.846 11.242) 12.086 6.351 ( 1.196 -1.441 2.866) 3.423 6.641 ( 1.337 -0.446 -7.902) 8.026 6.726 ( 2.030 2.130 -2.585) 3.916 6.783 ( -5.166 -0.763 -1.527) 5.441 7.148 ( 3.964 0.754 0.974) 4.151 7.645 ( 0.787 -9.423 0.193) 9.458 7.838 ( 4.242 -6.931 -1.827) 8.329 7.981 ( -1.022 -12.647 6.212) 14.127 8.218 ( 1.967 6.564 -0.582) 6.877 8.268 ( 2.015 4.827 -2.035) 5.613 8.595 ( -0.493 -5.695 -7.162) 9.163 8.841 ( 3.900 12.661 10.864) 17.133 9.053 ( -9.255 5.385 -9.583) 14.370 9.370 ( -5.139 4.235 1.219) 6.770 9.480 ( -4.276 2.041 2.159) 5.207 9.719 ( 1.147 4.675 3.663) 6.048 9.793 ( -2.252 4.600 0.445) 5.140 9.954 ( -5.251 -0.559 2.870) 6.010 10.059 ( -6.694 2.857 -3.770) 8.196 10.382 ( -0.358 -3.534 -4.676) 5.872 10.621 ( 9.691 -3.899 2.547) 10.752 10.944 ( 1.557 -2.014 4.310) 5.005 11.206 ( 3.839 3.622 -3.831) 6.522 11.634 ( -12.650 12.471 -9.640) 20.211 11.981 ( 6.795 7.087 4.318) 10.725 12.503 ( 0.611 -1.375 7.764) 7.909 12.746 ( 1.962 -3.765 -4.479) 6.171 14.829 ( -21.713 6.152 2.208) 22.676 15.146 ( 3.302 1.355 2.287) 4.239 15.381 ( -4.567 3.614 5.258) 7.846 15.605 ( 2.234 -5.712 2.384) 6.581 16.083 ( -1.945 3.238 0.463) 3.805 16.206 ( 4.414 10.394 1.714) 11.422 16.400 ( 3.387 4.224 12.574) 13.690 16.531 ( 4.036 8.470 -4.361) 10.346 17.030 ( -12.364 -4.119 -10.910) 16.996 17.421 ( 8.295 -4.294 -10.196) 13.828 18.186 ( -17.190 -5.687 -3.926) 18.527 19.335 ( 20.846 -9.753 8.335) 24.478 ======================= Grid point 118 (50/170) ======================= q-point: (-0.27 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -16.636 7.460 -6.608) 19.392 1.373 ( -17.998 10.857 -5.244) 21.664 1.992 ( 12.074 2.205 -3.801) 12.849 2.149 ( -19.076 11.204 -0.381) 22.126 2.393 ( 2.518 -3.000 -2.860) 4.850 2.441 ( -0.320 -1.519 0.300) 1.581 2.667 ( 5.771 5.476 5.222) 9.516 2.714 ( -0.092 -2.488 1.976) 3.178 2.899 ( 12.319 0.696 5.251) 13.410 2.972 ( 2.667 -1.926 -3.761) 4.997 3.269 ( 2.867 -5.861 -1.556) 6.707 3.576 ( 3.174 -4.868 0.546) 5.837 3.691 ( 2.487 -0.738 -9.883) 10.218 3.861 ( 2.683 -0.388 2.115) 3.439 3.956 ( 4.401 1.069 -0.604) 4.569 4.035 ( -2.389 -4.258 2.209) 5.359 4.354 ( -4.545 6.861 2.029) 8.476 4.625 ( -0.697 -4.856 -1.010) 5.009 4.999 ( 11.007 1.592 -1.153) 11.181 5.381 ( 14.601 -3.129 -1.270) 14.986 6.228 ( -0.317 -6.482 4.568) 7.936 6.413 ( 0.228 -5.474 0.918) 5.555 6.584 ( 5.777 -0.037 -5.294) 7.836 6.710 ( -0.974 -2.229 0.611) 2.508 6.810 ( 4.934 4.172 4.349) 7.789 7.214 ( 3.552 2.245 -0.776) 4.273 7.671 ( 2.170 -6.554 -0.037) 6.904 7.873 ( 1.460 -5.372 -0.213) 5.571 7.970 ( -7.532 -9.333 4.312) 12.745 8.228 ( -4.957 -0.774 0.694) 5.065 8.314 ( 8.524 -0.233 -2.911) 9.010 8.461 ( -3.236 -2.802 -8.970) 9.939 8.755 ( -10.672 6.286 -11.546) 16.933 8.980 ( -0.617 5.326 5.765) 7.873 9.314 ( -4.217 6.395 1.182) 7.751 9.455 ( -1.501 6.298 3.288) 7.261 9.744 ( -3.692 3.259 -0.720) 4.977 9.784 ( 1.208 3.484 2.866) 4.670 9.886 ( -5.627 -2.432 3.834) 7.230 9.965 ( -1.874 4.737 0.214) 5.099 10.316 ( -2.707 -0.914 -1.656) 3.302 10.785 ( 8.176 -7.405 -1.182) 11.094 11.014 ( 2.609 -0.413 -0.622) 2.713 11.157 ( -5.883 2.374 -2.626) 6.866 11.431 ( 0.980 13.900 -4.099) 14.525 12.131 ( 4.619 2.125 5.147) 7.235 12.576 ( -0.615 -2.093 5.112) 5.558 12.750 ( 4.063 -2.445 -3.497) 5.892 14.496 ( -22.572 5.338 4.569) 23.640 15.148 ( -4.603 0.143 -3.004) 5.499 15.369 ( -2.466 8.348 4.394) 9.751 15.673 ( 1.648 -7.628 3.441) 8.529 16.076 ( 1.828 0.603 0.263) 1.943 16.258 ( -0.430 7.563 -1.723) 7.768 16.438 ( -1.769 -1.921 -0.744) 2.715 16.635 ( 4.573 8.544 3.353) 10.255 16.858 ( 0.163 6.388 0.500) 6.409 17.451 ( 2.744 -5.466 0.375) 6.127 17.832 ( -14.278 -4.120 -12.596) 19.480 19.738 ( 18.255 -10.021 5.371) 21.506 ======================= Grid point 119 (51/170) ======================= q-point: (-0.18 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( -16.142 15.387 -7.922) 23.666 1.029 ( -18.734 14.143 -1.547) 23.524 1.666 ( -31.627 18.394 5.018) 36.929 2.149 ( 1.599 1.942 -12.062) 12.322 2.300 ( 8.707 1.737 -5.666) 10.533 2.549 ( 2.154 -4.725 7.669) 9.262 2.685 ( -1.605 -3.698 -5.513) 6.830 2.783 ( 1.256 1.175 4.899) 5.192 3.001 ( 4.908 3.456 -2.503) 6.504 3.180 ( 11.947 -2.269 4.066) 12.823 3.328 ( 5.459 -5.946 0.336) 8.079 3.617 ( 3.054 -0.509 -0.159) 3.100 3.657 ( 3.008 -3.559 -4.045) 6.171 3.966 ( 1.935 -2.355 5.244) 6.066 4.015 ( -0.170 -0.052 2.300) 2.306 4.046 ( 3.123 -3.020 0.382) 4.361 4.274 ( -6.690 7.036 1.138) 9.775 4.620 ( -0.068 -4.681 0.226) 4.687 5.197 ( 13.231 1.234 -0.165) 13.289 5.611 ( 14.333 -4.724 -1.144) 15.135 6.225 ( 0.103 -7.749 -2.222) 8.062 6.358 ( -1.333 -3.522 -5.065) 6.312 6.669 ( 5.235 -1.979 -1.149) 5.714 6.821 ( 8.900 -2.523 6.139) 11.102 6.980 ( 6.369 1.239 9.034) 11.123 7.244 ( 3.101 2.320 -3.326) 5.105 7.705 ( 1.314 -3.990 0.117) 4.202 7.799 ( -11.500 -6.283 -1.935) 13.247 7.891 ( -5.707 -5.528 1.509) 8.087 8.091 ( -12.799 -4.739 1.714) 13.755 8.278 ( 1.108 -0.262 -6.018) 6.125 8.430 ( -3.267 3.682 -6.607) 8.239 8.536 ( 1.208 2.160 -0.599) 2.546 8.957 ( -2.502 -0.417 -2.387) 3.483 9.264 ( -1.486 5.848 1.083) 6.130 9.494 ( 0.528 7.933 2.895) 8.461 9.645 ( -5.271 3.053 -3.927) 7.248 9.768 ( -3.804 -1.632 -0.553) 4.176 9.910 ( 1.226 0.455 3.365) 3.610 9.986 ( 1.108 6.938 1.568) 7.198 10.300 ( -1.698 0.550 8.629) 8.811 10.822 ( -4.313 -4.662 -4.766) 7.941 10.908 ( 0.282 -3.258 -5.807) 6.664 11.201 ( 6.042 4.824 3.817) 8.623 11.462 ( 3.739 5.564 -2.363) 7.108 12.249 ( 3.797 0.871 3.626) 5.322 12.593 ( -3.193 -1.339 3.240) 4.741 12.801 ( 7.000 -1.989 -3.490) 8.071 14.193 ( -22.696 4.525 7.704) 24.391 14.980 ( -7.195 2.151 -5.425) 9.264 15.367 ( -1.007 4.187 -0.776) 4.375 15.721 ( -0.638 -7.381 3.614) 8.243 16.146 ( 2.698 -1.028 2.386) 3.746 16.187 ( -0.391 5.494 -3.220) 6.380 16.452 ( 2.041 -2.384 0.735) 3.223 16.683 ( 2.451 2.645 -2.152) 4.199 16.943 ( 4.291 17.002 0.868) 17.557 17.420 ( -18.255 -3.562 -5.547) 19.408 17.580 ( 6.440 -5.081 3.575) 8.948 20.036 ( 13.373 -10.245 0.748) 16.862 ======================= Grid point 120 (52/170) ======================= q-point: (-0.09 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -8.754 20.020 4.872) 22.387 0.746 ( -17.436 15.507 8.715) 24.908 1.304 ( -24.257 31.426 16.407) 42.956 2.018 ( -0.546 1.121 -5.441) 5.582 2.378 ( 9.511 -0.793 -14.720) 17.543 2.592 ( 0.649 -2.376 -6.414) 6.871 2.665 ( 2.187 -4.558 6.016) 7.858 2.831 ( -1.912 0.534 4.705) 5.106 3.048 ( 3.967 4.585 -2.468) 6.546 3.322 ( 3.776 -4.481 0.743) 5.906 3.439 ( 5.390 -3.848 -1.399) 6.769 3.669 ( 2.392 -1.775 1.275) 3.240 3.714 ( 2.584 -2.312 5.060) 6.134 3.965 ( -2.281 0.755 -1.812) 3.009 4.060 ( 0.514 -1.016 1.683) 2.033 4.104 ( 1.601 -3.031 2.869) 4.470 4.188 ( -5.224 4.744 2.457) 7.472 4.612 ( -0.455 -5.661 -1.138) 5.792 5.392 ( 9.336 0.107 0.119) 9.337 5.790 ( 8.189 -6.154 -1.871) 10.413 6.215 ( 0.985 -5.446 -2.008) 5.888 6.306 ( 3.369 -5.886 -5.493) 8.727 6.723 ( 4.324 -0.054 -2.884) 5.198 7.020 ( 4.362 -5.968 2.415) 7.776 7.190 ( 10.714 0.955 1.334) 10.839 7.278 ( 5.026 -1.149 1.871) 5.485 7.485 ( -17.127 -1.576 -6.661) 18.444 7.720 ( -7.817 -3.701 -2.396) 8.975 7.738 ( -3.306 -2.682 -0.360) 4.273 7.930 ( -10.203 -3.883 4.684) 11.879 8.299 ( -3.273 5.472 1.384) 6.525 8.356 ( 5.539 -0.949 7.616) 9.465 8.604 ( 1.879 -0.887 2.311) 3.108 8.910 ( 2.287 -0.895 -3.913) 4.620 9.314 ( 3.441 1.960 2.451) 4.657 9.487 ( -5.310 4.046 -4.711) 8.171 9.542 ( 1.441 6.489 1.447) 6.803 9.662 ( -6.051 -0.985 -3.530) 7.074 9.931 ( -0.119 0.748 -2.707) 2.811 10.001 ( -0.097 6.903 0.817) 6.952 10.453 ( -0.306 1.225 15.072) 15.125 10.634 ( -4.728 0.073 -5.491) 7.247 10.939 ( 2.825 -5.274 2.321) 6.418 11.335 ( 5.458 0.382 1.186) 5.598 11.457 ( 0.986 1.705 -5.338) 5.690 12.332 ( 3.915 3.160 -0.610) 5.068 12.540 ( -6.977 -0.730 2.488) 7.444 12.898 ( 9.776 -2.625 -4.789) 11.198 13.926 ( -20.346 4.737 8.973) 22.736 14.865 ( -1.700 2.456 -0.072) 2.988 15.322 ( 0.554 -0.373 -5.912) 5.950 15.741 ( -1.278 -7.403 3.265) 8.191 16.139 ( -0.132 2.658 -0.082) 2.662 16.234 ( 0.064 1.727 2.120) 2.735 16.492 ( 4.254 -2.590 -3.844) 6.291 16.696 ( 3.082 0.552 -3.367) 4.598 16.958 ( -4.677 12.631 0.218) 13.471 17.051 ( -4.471 5.035 -19.990) 21.094 17.828 ( 1.827 -5.034 24.659) 25.234 20.183 ( 6.936 -10.293 -4.752) 13.291 ======================= Grid point 121 (53/170) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 3.147 24.054 0.289) 24.261 1.186 ( 4.978 16.564 12.255) 21.198 1.893 ( -6.752 24.307 5.854) 25.898 2.062 ( 5.981 0.718 -0.000) 6.024 2.290 ( 2.039 3.382 -4.889) 6.284 2.608 ( 2.081 1.425 -2.731) 3.718 2.674 ( 1.854 -1.671 2.481) 3.519 2.841 ( -3.475 0.820 4.168) 5.488 3.077 ( 0.933 -3.256 -4.613) 5.723 3.202 ( 0.772 -9.594 -2.216) 9.877 3.300 ( -2.554 -6.543 -4.883) 8.554 3.597 ( -1.865 -6.669 2.533) 7.374 3.801 ( 1.727 -1.589 9.529) 9.814 3.958 ( -0.032 0.058 -0.593) 0.596 4.018 ( -0.910 -0.549 -1.677) 1.986 4.156 ( -2.614 3.892 3.658) 5.946 4.245 ( 0.950 3.044 1.820) 3.672 4.435 ( -1.236 -6.558 -0.827) 6.724 5.438 ( 0.790 -2.957 -1.742) 3.521 5.641 ( 0.033 -10.053 -3.294) 10.578 6.105 ( 1.249 -4.619 -1.722) 5.085 6.140 ( -0.556 -8.359 -0.158) 8.379 6.739 ( 3.903 -2.296 -5.989) 7.508 6.806 ( -7.185 -6.386 -6.249) 11.465 7.195 ( -6.419 2.461 -2.492) 7.312 7.361 ( 3.207 0.045 -1.807) 3.682 7.374 ( 6.685 -2.799 4.782) 8.683 7.552 ( 2.781 -3.206 0.235) 4.250 7.662 ( -1.553 -4.737 0.846) 5.056 7.763 ( -2.240 -5.656 1.321) 6.225 8.390 ( 1.529 0.831 7.779) 7.971 8.494 ( 1.595 -2.878 6.073) 6.907 8.668 ( -0.227 1.407 10.295) 10.393 8.925 ( 3.659 -1.072 -0.407) 3.834 9.318 ( -0.514 1.298 -4.885) 5.081 9.420 ( -4.287 -4.595 -6.032) 8.710 9.602 ( 2.972 7.713 -1.531) 8.407 9.762 ( 0.561 5.076 1.551) 5.338 9.920 ( -0.508 5.048 -3.675) 6.265 10.110 ( -1.043 2.907 0.750) 3.178 10.481 ( -8.314 4.947 -0.994) 9.726 10.736 ( 6.440 -0.888 8.224) 10.483 10.921 ( 4.401 -5.308 7.688) 10.327 11.159 ( -5.076 -8.175 -4.889) 10.794 11.598 ( 3.388 9.490 -2.942) 10.498 12.381 ( -5.521 1.039 -6.194) 8.362 12.529 ( 1.078 4.683 4.320) 6.462 12.896 ( 2.013 -3.997 -1.155) 4.622 13.975 ( -4.778 12.298 6.984) 14.929 14.964 ( 4.092 1.691 0.337) 4.441 15.231 ( 0.686 -1.387 -2.040) 2.561 15.590 ( -2.034 -7.416 2.355) 8.043 16.098 ( 2.000 -6.425 -1.902) 6.993 16.193 ( -5.719 -2.504 -0.036) 6.243 16.370 ( -0.631 -0.671 -17.059) 17.084 16.684 ( 5.319 -3.174 -5.712) 8.426 16.961 ( 0.068 9.174 3.428) 9.794 17.372 ( -0.082 20.544 -5.599) 21.294 18.061 ( -0.076 -0.753 25.938) 25.949 19.856 ( -0.207 -17.997 -9.369) 20.291 ======================= Grid point 122 (54/170) ======================= q-point: ( 0.09 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 11.582 21.540 0.622) 24.465 1.450 ( 7.667 14.438 12.146) 20.366 1.856 ( 2.657 8.777 -5.708) 10.802 2.191 ( 7.318 4.523 -1.741) 8.777 2.320 ( 1.010 3.298 4.359) 5.559 2.580 ( -1.550 3.118 -1.954) 3.993 2.698 ( -3.553 -5.094 3.118) 6.949 2.818 ( -3.434 3.243 2.234) 5.225 3.006 ( -1.542 -8.680 -6.742) 11.098 3.131 ( -3.593 -2.153 -3.022) 5.165 3.255 ( -2.451 -6.806 4.876) 8.724 3.548 ( -4.618 -6.828 -1.028) 8.307 3.894 ( -3.767 2.366 0.888) 4.536 3.918 ( -0.945 -0.886 4.920) 5.088 4.037 ( 1.077 1.819 1.652) 2.683 4.114 ( -2.955 1.733 2.878) 4.474 4.323 ( 3.348 2.399 2.414) 4.774 4.413 ( -0.023 -6.484 -1.333) 6.620 5.365 ( -6.749 -2.454 -1.664) 7.371 5.557 ( -4.730 -9.255 -4.082) 11.167 6.066 ( -1.912 -3.402 -1.655) 4.239 6.164 ( 2.460 -8.080 -1.556) 8.589 6.588 ( -6.547 -6.068 -6.603) 11.103 6.738 ( 0.642 -5.490 -0.949) 5.608 7.077 ( -5.798 6.029 -0.540) 8.382 7.370 ( 0.045 1.314 -0.841) 1.561 7.510 ( 5.096 -4.703 1.310) 7.057 7.614 ( 0.023 -4.387 -1.708) 4.708 7.686 ( 4.944 -4.385 0.260) 6.613 7.821 ( 8.369 -5.340 1.773) 10.085 8.507 ( -0.190 -1.138 4.274) 4.427 8.592 ( 2.059 -0.720 12.692) 12.878 8.827 ( 3.193 0.486 11.648) 12.088 8.972 ( 2.313 -0.372 -0.584) 2.415 9.247 ( -0.539 0.092 -5.679) 5.705 9.289 ( 0.535 -3.100 -10.957) 11.400 9.646 ( 1.231 7.294 -0.549) 7.418 9.784 ( 3.188 4.075 0.109) 5.175 9.915 ( 1.592 7.051 0.566) 7.250 10.087 ( -1.253 4.633 -2.175) 5.269 10.386 ( -4.452 0.469 4.641) 6.449 10.846 ( -1.943 -3.877 4.031) 5.921 10.996 ( -2.961 -5.424 -8.905) 10.839 11.142 ( 6.151 -2.539 12.141) 13.845 11.638 ( 4.750 9.740 -1.312) 10.916 12.219 ( -3.832 2.310 -7.595) 8.816 12.556 ( -2.168 5.928 2.014) 6.625 12.873 ( -3.270 -3.882 0.303) 5.084 14.095 ( 8.633 12.217 7.346) 16.666 15.041 ( 6.966 -3.214 -4.758) 9.027 15.269 ( 3.400 4.063 1.621) 5.540 15.590 ( -2.732 -8.146 4.188) 9.558 16.044 ( 0.179 -1.159 -11.642) 11.701 16.105 ( -3.035 -7.016 -5.302) 9.303 16.241 ( 4.088 -2.388 -1.057) 4.851 16.745 ( 9.818 -6.179 -7.264) 13.687 17.018 ( -0.391 13.865 5.192) 14.810 17.278 ( -3.545 23.792 -5.682) 24.717 18.327 ( -3.975 -5.724 27.092) 27.974 19.668 ( -6.662 -17.326 -13.840) 23.154 ======================= Grid point 123 (55/170) ======================= q-point: ( 0.18 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 12.783 16.356 0.857) 20.776 1.648 ( 2.891 12.455 7.626) 14.888 1.876 ( 11.316 0.355 -12.042) 16.528 2.165 ( -6.402 5.546 -3.362) 9.113 2.308 ( -2.621 2.510 -7.391) 8.233 2.551 ( -3.448 -5.013 2.041) 6.417 2.675 ( -2.766 -4.627 7.522) 9.254 2.766 ( -2.847 4.083 -2.341) 5.501 2.934 ( -0.528 -7.231 -3.750) 8.163 3.067 ( -4.376 2.817 3.075) 6.045 3.308 ( -1.380 -4.860 8.826) 10.170 3.437 ( -5.461 -7.701 -3.508) 10.072 3.806 ( -3.149 0.464 -1.829) 3.671 3.950 ( -2.157 2.457 -1.115) 3.455 4.045 ( -0.479 1.570 8.621) 8.776 4.195 ( 3.014 1.552 6.270) 7.128 4.361 ( -0.258 0.746 -0.837) 1.151 4.428 ( 2.920 -6.606 0.296) 7.228 5.209 ( -9.680 -1.508 -0.754) 9.825 5.411 ( -7.185 -7.247 -3.750) 10.872 5.992 ( -3.873 -1.515 -3.442) 5.398 6.181 ( 2.118 -5.537 -1.245) 6.057 6.506 ( 3.193 -6.196 -2.617) 7.445 6.746 ( -1.473 -9.612 2.806) 10.121 6.999 ( -4.727 5.685 2.358) 7.760 7.325 ( -4.015 2.536 -1.209) 4.900 7.540 ( -0.888 -5.459 -2.447) 6.047 7.615 ( 0.623 -6.539 0.425) 6.582 7.780 ( 8.071 -1.767 0.016) 8.262 7.998 ( 9.295 -4.622 -0.018) 10.381 8.514 ( -2.190 1.799 2.643) 3.875 8.761 ( -1.328 -1.734 10.723) 10.943 8.962 ( -0.192 4.023 -5.444) 6.772 9.019 ( 7.570 2.875 6.988) 10.696 9.201 ( 2.586 -5.149 -2.237) 6.181 9.218 ( 4.623 1.647 -8.773) 10.052 9.638 ( 1.245 6.337 -1.859) 6.720 9.817 ( -1.089 5.467 -3.353) 6.505 9.970 ( 4.644 6.830 2.554) 8.645 10.085 ( 2.116 3.195 2.782) 4.736 10.417 ( -0.903 -3.684 6.361) 7.406 10.769 ( -8.047 -2.884 -2.066) 8.794 10.871 ( -1.828 -3.653 -5.121) 6.551 11.331 ( 3.127 -2.459 4.501) 6.007 11.767 ( 8.297 12.320 6.620) 16.262 12.105 ( 0.790 5.758 -8.115) 9.981 12.508 ( -5.088 5.910 0.641) 7.825 12.823 ( -3.598 -4.531 1.696) 6.029 14.382 ( 14.956 10.853 7.517) 19.949 15.080 ( 7.952 -2.871 -9.793) 12.937 15.311 ( -2.698 2.909 2.554) 4.719 15.595 ( -0.783 -2.359 2.850) 3.782 15.930 ( 2.176 -4.175 -10.021) 11.072 16.039 ( 0.747 -0.723 -2.009) 2.262 16.425 ( 12.617 -6.578 6.295) 15.559 16.830 ( 9.857 -8.416 -7.044) 14.751 17.029 ( -1.952 18.299 -1.649) 18.476 17.155 ( -4.832 21.380 -1.246) 21.955 18.523 ( -8.092 -8.887 25.370) 28.073 19.341 ( -11.723 -16.529 -17.002) 26.452 ======================= Grid point 124 (56/170) ======================= q-point: ( 0.27 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 3.892 9.938 -1.552) 10.785 1.756 ( 1.912 3.066 1.968) 4.114 1.901 ( 7.240 3.266 -8.623) 11.723 1.974 ( -5.153 4.555 -7.542) 10.207 2.235 ( 1.636 4.551 -1.284) 5.004 2.468 ( -7.570 -5.723 1.972) 9.692 2.689 ( -3.054 4.823 -2.006) 6.051 2.753 ( -0.393 -6.354 6.433) 9.050 2.851 ( -3.545 -4.521 -4.748) 7.453 3.019 ( -5.929 5.014 2.087) 8.040 3.268 ( -7.153 -6.442 -3.924) 10.395 3.384 ( -3.988 -4.775 6.575) 9.052 3.797 ( 4.367 -3.390 -0.323) 5.538 3.899 ( -0.167 1.499 -1.761) 2.319 4.190 ( 2.110 -0.840 11.222) 11.449 4.304 ( 3.727 3.032 2.394) 5.368 4.339 ( -0.322 -0.536 -0.882) 1.081 4.471 ( 1.881 -6.905 -0.665) 7.187 5.050 ( -8.857 -0.483 0.244) 8.874 5.249 ( -7.714 -4.574 -3.125) 9.497 5.889 ( -3.463 -0.315 -2.748) 4.433 6.224 ( 3.721 -2.544 0.553) 4.541 6.595 ( 7.663 -4.839 0.427) 9.073 6.743 ( -1.557 -10.577 1.581) 10.807 6.966 ( -4.894 3.013 5.089) 7.676 7.225 ( -4.941 3.720 -3.000) 6.874 7.474 ( -2.664 -5.746 -2.955) 6.988 7.601 ( -2.677 -8.242 0.041) 8.666 7.951 ( 8.641 1.196 4.948) 10.029 8.087 ( 3.851 -2.531 -4.254) 6.272 8.507 ( -1.629 5.013 2.273) 5.740 8.770 ( -2.411 -1.311 -0.265) 2.757 8.857 ( -2.223 9.056 -8.485) 12.607 9.182 ( 4.716 2.941 1.087) 5.663 9.227 ( 5.752 -3.500 -3.415) 7.549 9.336 ( 8.115 -0.388 6.642) 10.494 9.644 ( 2.102 5.920 -1.528) 6.465 9.784 ( 3.470 5.537 -2.417) 6.967 10.066 ( 3.367 5.487 1.209) 6.550 10.181 ( 2.996 -0.744 4.673) 5.601 10.465 ( -1.465 -2.261 3.405) 4.342 10.584 ( -8.040 -0.489 -3.449) 8.762 10.824 ( -0.348 -2.738 -0.440) 2.795 11.349 ( -1.907 -1.217 -1.053) 2.495 11.951 ( 2.164 11.378 -0.285) 11.585 12.109 ( 9.494 10.215 0.246) 13.948 12.423 ( -5.576 5.128 1.038) 7.647 12.800 ( -1.922 -5.079 2.271) 5.887 14.719 ( 15.197 7.800 6.429) 18.252 15.081 ( 4.725 0.606 -8.397) 9.654 15.271 ( -2.858 -1.123 1.560) 3.444 15.641 ( 2.110 5.324 3.947) 6.955 15.885 ( 0.726 -5.589 -3.285) 6.523 16.072 ( 4.825 3.473 -1.569) 6.148 16.680 ( 3.467 5.504 2.169) 6.857 16.892 ( 4.101 -1.124 0.747) 4.317 16.981 ( 12.130 2.423 -14.595) 19.131 17.135 ( -0.951 13.787 7.827) 15.882 18.619 ( -11.971 -10.950 21.104) 26.619 18.922 ( -14.593 -15.944 -18.059) 28.166 ======================= Grid point 125 (57/170) ======================= q-point: ( 0.36 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 1.937 9.058 2.373) 9.562 1.705 ( -4.569 -0.231 -0.560) 4.609 1.836 ( -4.108 2.985 -6.389) 8.161 2.008 ( 12.879 0.285 -7.941) 15.133 2.291 ( 3.285 2.605 1.253) 4.376 2.395 ( -5.410 -3.973 6.812) 9.563 2.626 ( -4.012 5.904 0.504) 7.156 2.726 ( -5.113 -1.290 -3.948) 6.587 2.780 ( -2.105 -5.509 3.766) 6.997 2.951 ( -3.329 5.729 0.913) 6.688 3.090 ( -7.879 -5.104 -4.779) 10.534 3.356 ( -4.877 -4.286 2.956) 7.133 3.896 ( 3.453 -2.415 -0.459) 4.238 3.926 ( 6.877 -4.039 -0.505) 7.992 4.288 ( 0.073 -8.680 3.350) 9.305 4.332 ( 2.913 2.100 -4.460) 5.726 4.381 ( 1.535 3.426 0.828) 3.844 4.475 ( -0.113 -7.141 -0.203) 7.145 4.932 ( -6.720 1.154 1.659) 7.017 5.096 ( -6.356 -2.004 -2.853) 7.249 5.835 ( -1.267 0.191 0.128) 1.288 6.306 ( 4.128 -0.261 1.560) 4.421 6.728 ( 5.043 -6.249 -1.553) 8.179 6.746 ( 2.415 -3.565 2.742) 5.105 6.933 ( -5.818 -1.081 4.477) 7.420 7.109 ( -4.519 4.297 -3.166) 6.993 7.403 ( -1.710 -6.492 -2.681) 7.229 7.540 ( -4.553 -7.710 0.719) 8.983 8.040 ( 0.102 -1.017 -7.948) 8.014 8.142 ( 4.048 0.771 8.077) 9.067 8.531 ( 2.390 10.490 1.937) 10.931 8.711 ( 0.453 3.180 -8.981) 9.538 8.739 ( -2.895 8.095 -2.303) 8.900 9.212 ( 3.152 -0.054 -1.722) 3.592 9.329 ( 3.189 -5.094 3.938) 7.186 9.524 ( 7.306 0.515 2.370) 7.698 9.706 ( 4.264 6.018 2.452) 7.772 9.851 ( 4.844 5.814 0.656) 7.596 10.093 ( -0.615 4.322 -1.153) 4.515 10.265 ( 2.792 -2.341 1.674) 4.010 10.360 ( -4.498 2.662 -4.941) 7.193 10.532 ( -3.789 -4.126 3.824) 6.782 10.843 ( 1.947 0.793 1.285) 2.463 11.283 ( -3.811 -0.151 -0.790) 3.895 11.911 ( 0.624 13.748 -5.006) 14.644 12.253 ( 3.322 6.892 -1.932) 7.892 12.400 ( 0.301 5.402 5.640) 7.815 12.798 ( -1.185 -3.632 0.882) 3.921 14.933 ( 6.428 1.955 -3.406) 7.532 15.124 ( 3.486 5.516 6.681) 9.339 15.283 ( 3.256 -3.085 1.300) 4.670 15.749 ( 0.255 8.862 8.342) 12.174 15.872 ( 2.200 -2.934 -1.175) 3.851 16.129 ( 4.167 8.189 -2.687) 9.573 16.576 ( -6.581 15.602 -3.356) 17.262 16.917 ( -3.327 12.359 -0.941) 12.834 17.069 ( 16.109 -5.485 -14.453) 22.327 17.388 ( 13.632 -6.190 12.277) 19.362 18.469 ( -13.019 -16.772 -16.134) 26.667 18.619 ( -15.089 -11.886 15.113) 24.441 ======================= Grid point 126 (58/170) ======================= q-point: ( 0.45 0.25 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -7.361 0.857 -0.838) 7.458 1.700 ( -1.315 2.662 0.145) 2.973 1.776 ( 9.069 6.371 7.527) 13.398 2.116 ( 11.636 -0.183 -8.654) 14.502 2.324 ( -0.724 -5.408 1.564) 5.676 2.414 ( -4.406 -0.707 3.748) 5.827 2.563 ( -5.523 3.223 3.976) 7.530 2.637 ( -1.086 3.554 0.513) 3.751 2.797 ( -0.633 -0.218 0.085) 0.675 2.927 ( -1.498 3.224 -0.534) 3.595 2.973 ( 0.858 -2.731 2.169) 3.592 3.304 ( -3.884 -4.530 0.130) 5.968 3.910 ( 1.587 -1.534 -3.384) 4.041 4.017 ( 3.231 -5.240 -1.371) 6.307 4.264 ( -1.688 -1.952 -9.626) 9.966 4.336 ( 0.102 -6.027 0.089) 6.029 4.350 ( 1.610 -1.009 -5.408) 5.732 4.470 ( -0.808 -5.755 0.253) 5.817 4.867 ( -3.689 2.909 2.017) 5.113 4.999 ( -1.392 -0.709 -2.053) 2.580 5.846 ( 0.272 -0.161 3.265) 3.280 6.369 ( 1.007 -0.215 1.073) 1.487 6.728 ( 1.232 0.119 -2.634) 2.910 6.819 ( -2.431 -6.376 0.075) 6.824 6.911 ( 0.226 0.597 3.263) 3.325 7.023 ( -1.611 3.249 -1.398) 3.886 7.377 ( 1.654 -8.626 -0.616) 8.805 7.485 ( -3.173 -6.046 1.175) 6.928 7.948 ( 0.422 -0.764 -8.474) 8.518 8.233 ( -1.321 -1.690 4.898) 5.347 8.582 ( -0.313 9.022 -5.262) 10.449 8.630 ( 1.256 8.732 -2.700) 9.226 8.748 ( 5.694 8.388 3.403) 10.694 9.267 ( 2.076 0.021 2.549) 3.287 9.393 ( -0.933 -4.519 4.472) 6.426 9.625 ( 4.792 1.249 -1.092) 5.071 9.764 ( -2.897 3.026 1.585) 4.479 9.935 ( 2.161 5.587 2.757) 6.594 10.047 ( 0.087 6.804 -2.061) 7.109 10.302 ( 2.329 0.515 -1.286) 2.710 10.309 ( 1.191 0.257 -1.566) 1.984 10.458 ( -6.388 -6.370 -1.735) 9.187 10.895 ( 1.049 4.191 2.443) 4.963 11.236 ( -1.705 0.670 1.191) 2.184 11.906 ( 3.097 14.131 -0.860) 14.492 12.245 ( 1.158 4.493 -2.529) 5.284 12.461 ( -0.986 5.483 2.564) 6.133 12.761 ( -2.173 -2.644 -2.749) 4.389 14.973 ( 4.714 3.085 -1.987) 5.974 15.220 ( -3.372 0.204 10.626) 11.150 15.419 ( 7.041 -0.067 3.708) 7.958 15.694 ( -11.964 3.996 0.843) 12.642 15.975 ( 3.342 4.025 3.612) 6.358 16.190 ( 6.575 14.665 3.413) 16.430 16.488 ( -0.629 12.582 -2.668) 12.877 16.827 ( -3.332 14.851 -3.360) 15.587 17.159 ( 13.981 -7.568 -14.373) 21.432 17.601 ( -3.263 -6.356 -2.090) 7.444 18.246 ( 6.164 -19.710 -2.173) 20.765 18.508 ( -15.131 -11.998 9.868) 21.686 ======================= Grid point 127 (59/170) ======================= q-point: (-0.45 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( -2.504 0.297 -1.078) 2.742 1.738 ( 5.134 1.947 0.986) 5.579 2.037 ( 4.900 5.488 8.801) 11.471 2.196 ( 2.357 0.830 -0.596) 2.569 2.292 ( -2.645 -1.756 2.464) 4.019 2.338 ( -1.205 -1.336 -2.390) 2.991 2.583 ( 0.223 1.831 6.535) 6.791 2.671 ( 3.384 9.049 -0.953) 9.708 2.793 ( 2.109 -2.119 1.231) 3.233 2.916 ( 0.428 2.111 -1.137) 2.436 3.117 ( 5.936 -4.068 8.245) 10.944 3.227 ( -2.969 -5.529 -3.250) 7.068 3.886 ( 1.161 0.246 -5.262) 5.394 3.982 ( -3.144 -5.065 -3.526) 6.927 4.076 ( -6.437 -2.366 -10.130) 12.233 4.223 ( -1.140 3.297 -12.130) 12.621 4.356 ( -0.622 -3.962 0.452) 4.036 4.497 ( 2.982 -11.183 0.205) 11.576 4.856 ( 0.408 3.189 0.806) 3.315 5.015 ( 5.261 -1.193 -1.121) 5.510 5.916 ( 1.315 -1.570 6.715) 7.020 6.351 ( -3.230 -1.827 -0.444) 3.737 6.709 ( -3.206 -4.625 -4.368) 7.124 6.747 ( 1.301 3.581 -0.497) 3.842 6.881 ( -6.685 -0.978 0.779) 6.801 7.082 ( 6.884 3.848 0.423) 7.898 7.453 ( 4.807 -10.676 1.786) 11.843 7.467 ( 0.583 -6.269 1.578) 6.491 7.872 ( 0.732 -1.822 -6.868) 7.143 8.237 ( -1.416 -3.959 0.269) 4.213 8.493 ( -2.223 9.111 -3.999) 10.195 8.616 ( 1.674 3.130 -4.955) 6.095 8.943 ( 6.373 13.628 9.223) 17.646 9.297 ( -1.262 3.534 0.051) 3.753 9.409 ( -3.744 -2.552 5.513) 7.136 9.617 ( -7.584 1.334 0.857) 7.748 9.724 ( 1.965 0.669 1.067) 2.334 9.953 ( -3.814 5.289 2.395) 6.947 10.054 ( 1.522 7.980 -2.756) 8.578 10.261 ( -4.931 2.015 -2.970) 6.098 10.334 ( -0.742 -7.297 -5.905) 9.416 10.380 ( 6.372 -1.693 1.274) 6.715 10.932 ( -1.451 5.529 5.629) 8.022 11.247 ( 1.657 1.535 -0.248) 2.272 11.977 ( 2.933 11.866 2.062) 12.396 12.223 ( -0.198 9.812 -5.634) 11.316 12.438 ( -3.428 2.132 3.527) 5.361 12.683 ( -0.937 -4.801 -5.172) 7.118 15.058 ( 4.090 4.663 2.979) 6.881 15.284 ( -5.087 -0.308 12.140) 13.167 15.427 ( -14.075 5.300 -3.965) 15.554 15.536 ( 1.065 3.343 2.920) 4.564 16.055 ( 0.644 -3.028 7.430) 8.049 16.341 ( -3.758 10.711 5.816) 12.754 16.503 ( 9.056 18.925 0.041) 20.980 16.767 ( 3.284 13.660 -6.732) 15.579 17.154 ( -0.365 -11.921 -13.748) 18.200 17.368 ( -3.564 -3.473 -10.749) 11.845 18.276 ( -14.408 -12.268 2.682) 19.113 18.607 ( 18.954 -17.448 8.651) 27.176 ======================= Grid point 128 (60/170) ======================= q-point: (-0.36 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 1.342 1.436 -2.367) 3.077 1.841 ( 1.097 7.427 0.274) 7.512 1.996 ( -3.313 8.088 -4.391) 9.782 2.205 ( -0.046 -3.562 5.763) 6.775 2.378 ( 4.707 0.202 -1.763) 5.030 2.407 ( 2.640 -0.216 11.368) 11.672 2.653 ( -1.107 -1.234 4.307) 4.615 2.721 ( 3.283 10.357 -1.479) 10.965 2.865 ( 4.264 2.522 -0.927) 5.040 2.894 ( -0.619 -2.111 -1.095) 2.458 3.140 ( -1.262 -6.993 -4.106) 8.207 3.312 ( 6.072 -5.693 7.037) 10.899 3.779 ( -0.151 -0.136 -12.384) 12.385 3.889 ( -5.207 -1.616 -2.491) 5.994 3.950 ( 0.717 -0.862 0.498) 1.227 4.056 ( -1.256 1.770 -12.274) 12.465 4.384 ( 1.769 -3.209 2.736) 4.573 4.516 ( -0.802 -8.833 -0.652) 8.893 4.907 ( 5.981 2.184 -0.792) 6.416 5.130 ( 9.486 -2.715 -0.791) 9.898 6.030 ( 1.453 -3.566 8.531) 9.360 6.281 ( -3.114 -4.936 -1.249) 5.968 6.603 ( -2.446 -2.975 -3.788) 5.403 6.755 ( -7.789 -2.071 -0.462) 8.073 6.812 ( 5.165 6.043 0.881) 7.998 7.191 ( 5.609 2.965 -0.290) 6.351 7.475 ( 2.208 -5.896 -0.748) 6.340 7.606 ( 5.636 -13.024 4.953) 15.031 7.820 ( 0.085 -3.184 -3.654) 4.847 8.188 ( -2.047 -7.219 -4.002) 8.504 8.428 ( -0.893 8.032 -3.249) 8.710 8.569 ( -0.617 3.195 -5.069) 6.024 9.093 ( -0.888 9.839 4.355) 10.796 9.189 ( -7.423 7.154 -4.601) 11.289 9.394 ( -4.780 -0.909 5.076) 7.031 9.563 ( -3.432 4.459 8.707) 10.367 9.790 ( 1.104 -0.097 4.049) 4.198 9.875 ( -5.374 2.211 -0.554) 5.837 10.005 ( -1.907 7.071 -4.935) 8.831 10.137 ( -5.564 4.232 -1.368) 7.123 10.298 ( 2.467 -3.690 -4.449) 6.285 10.512 ( 7.461 -4.952 0.741) 8.985 10.983 ( -1.210 4.630 7.359) 8.778 11.259 ( 1.293 1.678 -3.308) 3.928 11.938 ( -7.516 14.858 -4.602) 17.275 12.169 ( 1.319 9.621 -0.878) 9.751 12.465 ( 0.456 -2.138 3.994) 4.553 12.646 ( 2.589 -5.386 -3.126) 6.745 15.012 ( -20.231 10.735 3.061) 23.106 15.208 ( 0.959 4.185 -0.219) 4.299 15.413 ( 2.314 -1.281 8.439) 8.843 15.551 ( -4.445 1.326 4.963) 6.794 16.131 ( -2.440 -1.157 3.921) 4.761 16.275 ( -4.964 3.352 5.109) 7.873 16.579 ( -3.440 4.674 -8.462) 10.260 16.819 ( 7.557 15.709 -3.232) 17.729 16.944 ( -0.904 -0.415 -1.135) 1.509 17.327 ( 6.352 -1.873 -8.352) 10.659 18.020 ( -13.819 -9.907 -5.413) 17.844 19.042 ( 20.639 -17.760 8.269) 28.456 ======================= Grid point 129 (61/170) ======================= q-point: (-0.27 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -4.684 9.857 -4.557) 11.826 1.647 ( -13.231 14.711 -7.007) 20.990 2.065 ( 10.438 4.265 -3.795) 11.897 2.322 ( 3.254 -3.728 4.325) 6.572 2.375 ( -3.221 3.752 0.544) 4.975 2.467 ( -11.306 6.497 3.641) 13.539 2.652 ( 0.137 -3.029 2.881) 4.182 2.752 ( 3.035 4.087 -1.323) 5.260 2.865 ( 3.938 -4.224 -0.436) 5.791 2.965 ( 7.150 1.911 0.719) 7.436 3.115 ( 2.859 -8.252 -2.272) 9.024 3.455 ( 3.175 -5.666 3.502) 7.379 3.678 ( 1.956 -0.648 -8.645) 8.887 3.859 ( 1.724 0.834 0.564) 1.996 3.940 ( 2.309 -2.560 -4.868) 5.965 3.999 ( 1.205 0.833 1.532) 2.119 4.447 ( -0.975 0.857 3.025) 3.291 4.472 ( -1.534 -8.694 -0.103) 8.829 5.034 ( 10.467 1.513 -0.948) 10.618 5.297 ( 11.577 -4.642 -0.702) 12.492 6.094 ( -1.581 -5.330 1.311) 5.712 6.265 ( 0.000 -7.628 2.950) 8.178 6.566 ( 2.307 -1.624 -2.036) 3.479 6.649 ( -4.201 -3.050 1.587) 5.429 6.928 ( 5.774 6.351 3.216) 9.166 7.253 ( 3.589 1.093 -2.146) 4.322 7.518 ( 4.154 -6.693 -1.297) 7.984 7.716 ( -0.545 -12.045 5.951) 13.446 7.786 ( -0.620 -3.602 -2.064) 4.197 8.086 ( -4.140 -9.663 -5.215) 11.735 8.381 ( -0.030 5.464 -4.721) 7.221 8.500 ( -1.951 3.672 -1.363) 4.375 8.881 ( -11.597 6.011 -10.246) 16.601 9.108 ( -7.007 5.278 1.319) 8.871 9.366 ( -3.861 0.495 2.828) 4.811 9.643 ( -3.301 6.170 10.633) 12.728 9.773 ( -4.422 -0.142 2.347) 5.008 9.874 ( 2.929 3.173 -2.772) 5.132 9.907 ( -2.977 7.462 -1.557) 8.183 10.070 ( -0.859 4.529 0.478) 4.635 10.299 ( -0.220 -0.305 0.754) 0.842 10.626 ( 6.704 -7.093 -1.567) 9.885 11.028 ( -1.055 2.025 0.256) 2.298 11.206 ( -3.357 1.593 -0.309) 3.729 11.760 ( -5.192 16.135 -4.592) 17.561 12.202 ( 1.865 4.119 1.848) 4.884 12.521 ( 1.909 -2.895 2.175) 4.093 12.687 ( 3.766 -3.368 -0.329) 5.063 14.679 ( -21.924 12.019 2.461) 25.123 15.187 ( -3.875 3.099 -1.969) 5.338 15.503 ( -6.586 -2.472 3.033) 7.661 15.559 ( 0.884 2.705 9.673) 10.083 16.077 ( -1.795 -0.020 -1.244) 2.184 16.321 ( -0.787 -3.631 6.659) 7.626 16.345 ( -6.477 -2.378 -9.109) 11.427 16.812 ( 2.050 6.346 -5.006) 8.339 17.150 ( 8.435 10.165 12.089) 17.906 17.342 ( 2.986 5.663 -2.833) 7.001 17.714 ( -9.347 -6.991 -14.669) 18.746 19.440 ( 17.915 -18.055 5.293) 25.979 ======================= Grid point 130 (62/170) ======================= q-point: (-0.18 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( -7.229 19.627 -6.023) 21.766 1.339 ( -13.776 15.570 -6.281) 21.717 2.072 ( -7.729 13.345 1.835) 15.531 2.209 ( -12.253 6.151 -4.282) 14.363 2.373 ( 8.842 4.921 -7.155) 12.393 2.459 ( 0.940 -3.355 8.723) 9.393 2.628 ( -2.220 0.708 -4.187) 4.792 2.776 ( 1.890 -2.223 2.354) 3.750 3.029 ( 7.208 -1.960 1.559) 7.630 3.105 ( 7.397 -4.453 -1.163) 8.712 3.190 ( 7.540 -6.460 4.091) 10.739 3.509 ( 2.233 -6.969 0.078) 7.319 3.632 ( 1.794 -0.801 -4.369) 4.790 3.930 ( 3.299 -4.783 1.796) 6.082 3.964 ( 2.063 -0.103 2.240) 3.047 4.043 ( 2.290 2.255 0.016) 3.214 4.380 ( -5.511 1.592 0.190) 5.739 4.492 ( -1.245 -5.903 2.024) 6.364 5.215 ( 11.869 0.317 -0.681) 11.893 5.482 ( 11.131 -7.185 -0.646) 13.264 6.062 ( 0.209 -6.614 -2.614) 7.115 6.261 ( -3.611 -5.668 0.771) 6.764 6.627 ( 5.975 -2.164 -1.091) 6.448 6.696 ( 4.476 -6.228 5.853) 9.648 7.068 ( 5.614 5.111 4.859) 9.014 7.266 ( 2.666 -0.441 -4.273) 5.056 7.572 ( 3.410 -7.540 -1.414) 8.395 7.681 ( -9.903 -4.875 3.225) 11.500 7.750 ( -2.309 -6.917 -2.178) 7.610 7.942 ( -7.071 -8.286 -2.329) 11.139 8.322 ( -1.824 3.620 -1.121) 4.206 8.489 ( -1.512 1.451 0.138) 2.100 8.616 ( -6.462 5.645 -5.226) 10.047 8.974 ( -5.560 1.229 -3.722) 6.803 9.344 ( -1.401 2.046 1.364) 2.829 9.636 ( -6.360 -1.392 4.380) 7.847 9.732 ( -3.811 7.543 -2.321) 8.764 9.784 ( -2.885 5.716 -2.105) 6.740 9.947 ( 1.942 2.988 1.307) 3.796 10.121 ( 2.087 4.546 2.168) 5.452 10.327 ( 0.952 2.043 6.307) 6.698 10.696 ( 4.234 -6.719 -2.036) 8.198 10.902 ( -6.137 2.164 -7.366) 9.829 11.218 ( -0.938 -2.370 5.949) 6.472 11.664 ( -1.361 12.663 -4.544) 13.522 12.289 ( 4.518 2.442 4.450) 6.796 12.558 ( 0.024 -1.637 0.456) 1.699 12.748 ( 4.460 -2.942 -0.435) 5.361 14.361 ( -21.234 11.534 4.489) 24.578 15.055 ( -5.869 4.922 -4.744) 9.010 15.398 ( -8.358 -3.523 1.379) 9.175 15.624 ( -2.096 -0.832 3.826) 4.441 16.072 ( 1.121 -4.999 -0.739) 5.176 16.244 ( -0.914 -0.206 1.845) 2.070 16.379 ( 4.062 -2.249 -0.706) 4.697 16.785 ( 1.218 5.354 -4.976) 7.410 17.265 ( -15.398 -7.009 7.463) 18.491 17.448 ( 5.709 -1.545 -19.997) 20.853 17.466 ( 8.432 21.939 12.375) 26.562 19.733 ( 13.037 -18.326 0.913) 22.508 ======================= Grid point 131 (63/170) ======================= q-point: (-0.09 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -6.146 19.952 1.543) 20.934 1.118 ( -6.416 22.082 -1.555) 23.048 1.964 ( -13.089 29.158 10.119) 33.525 2.036 ( -1.197 0.213 -3.702) 3.896 2.359 ( 3.314 -0.358 -12.859) 13.284 2.558 ( 0.953 -3.086 5.810) 6.648 2.616 ( 4.996 2.914 -2.539) 6.317 2.828 ( -0.229 -0.954 3.638) 3.768 3.089 ( 3.098 -0.956 -3.618) 4.858 3.178 ( 3.369 -8.716 -0.304) 9.349 3.345 ( 4.854 -5.266 -2.400) 7.553 3.555 ( 2.319 -8.746 2.274) 9.330 3.672 ( 2.394 -1.553 5.574) 6.262 3.955 ( 0.808 -5.485 -0.686) 5.587 4.048 ( 0.518 1.887 -0.283) 1.977 4.079 ( 3.236 2.666 4.120) 5.878 4.290 ( -5.645 3.956 0.722) 6.931 4.471 ( -2.411 -6.477 0.289) 6.918 5.377 ( 8.226 -1.804 -1.243) 8.513 5.619 ( 6.220 -9.416 -1.670) 11.408 6.066 ( 3.346 -7.126 -1.767) 8.068 6.195 ( -3.884 -4.916 -0.503) 6.286 6.707 ( 6.863 -1.192 -4.433) 8.257 6.852 ( 4.844 -8.122 3.108) 9.954 7.205 ( 3.885 -0.495 3.720) 5.401 7.273 ( 5.953 0.449 -4.083) 7.233 7.445 ( -13.162 -1.919 -2.462) 13.527 7.612 ( -3.916 -5.825 -0.851) 7.070 7.663 ( -1.995 -4.289 0.046) 4.730 7.829 ( -6.746 -5.961 1.708) 9.163 8.325 ( 0.647 0.220 2.500) 2.592 8.422 ( -2.940 3.307 3.297) 5.518 8.598 ( -0.197 1.351 4.493) 4.696 8.896 ( 1.266 -0.388 -3.383) 3.633 9.347 ( 0.566 1.016 -0.578) 1.299 9.552 ( -6.417 -3.949 -1.057) 7.609 9.626 ( -1.843 7.065 -4.380) 8.514 9.747 ( -1.015 7.930 0.494) 8.010 9.964 ( 0.157 2.463 -1.850) 3.085 10.127 ( -2.408 3.667 1.501) 4.637 10.497 ( 6.824 2.577 9.473) 11.956 10.656 ( -6.160 1.804 -3.946) 7.534 10.813 ( 2.276 -5.340 1.175) 5.923 11.243 ( -2.238 -7.219 1.456) 7.697 11.603 ( 0.627 10.894 -4.493) 11.801 12.425 ( 4.776 4.376 4.418) 7.841 12.515 ( -4.355 -1.211 -1.664) 4.817 12.831 ( 6.302 -3.489 -1.098) 7.286 14.095 ( -17.198 11.429 5.879) 21.470 14.946 ( -1.352 4.969 -2.404) 5.683 15.286 ( -4.976 -4.098 -0.876) 6.506 15.608 ( -2.398 -4.636 1.257) 5.368 16.083 ( 1.393 -5.857 -0.810) 6.075 16.257 ( -3.546 -1.571 3.417) 5.169 16.445 ( 8.245 -0.238 -7.876) 11.404 16.734 ( -1.048 1.615 -5.346) 5.682 17.022 ( -9.112 1.004 -4.243) 10.101 17.409 ( 4.196 12.558 -7.615) 15.274 17.763 ( 3.803 7.075 21.527) 22.977 19.879 ( 6.698 -18.343 -4.212) 19.977 ======================= Grid point 132 (64/170) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 4.430 15.815 6.066) 17.509 1.563 ( 3.759 19.172 -3.046) 19.773 2.047 ( 4.387 -2.522 4.747) 6.938 2.238 ( -1.551 5.953 -9.735) 11.516 2.331 ( -2.909 1.278 -0.108) 3.180 2.684 ( -1.887 6.291 2.771) 7.129 2.720 ( 1.646 3.469 -3.375) 5.112 2.883 ( -1.303 3.447 5.166) 6.345 2.910 ( -0.234 -9.540 -9.334) 13.349 3.029 ( 0.336 -6.337 0.809) 6.397 3.157 ( -0.215 -5.906 -4.401) 7.369 3.428 ( 0.560 -9.671 3.100) 10.171 3.776 ( 0.704 -0.307 11.707) 11.732 3.874 ( 0.627 -4.649 8.114) 9.373 4.089 ( -0.987 4.908 -3.989) 6.401 4.255 ( -3.531 1.941 -1.038) 4.161 4.278 ( 0.659 1.934 3.023) 3.649 4.368 ( -0.339 0.141 1.901) 1.936 5.361 ( 1.160 -3.536 -2.894) 4.714 5.440 ( 0.211 -8.170 -3.409) 8.855 5.983 ( 1.625 -4.215 0.160) 4.520 6.035 ( -2.092 -3.938 -0.872) 4.543 6.682 ( -1.321 -2.376 -7.096) 7.599 6.705 ( -2.477 -3.255 -6.496) 7.676 7.232 ( 1.070 1.208 2.506) 2.981 7.334 ( 0.080 -2.569 1.122) 2.804 7.351 ( 2.959 1.294 2.221) 3.919 7.492 ( 2.417 -2.267 0.213) 3.320 7.562 ( -2.617 -4.314 0.227) 5.050 7.622 ( -0.750 -7.114 0.626) 7.180 8.407 ( 1.038 1.103 7.785) 7.931 8.456 ( 0.263 -1.011 6.551) 6.634 8.728 ( 0.676 4.229 5.555) 7.014 8.902 ( 3.213 -1.713 0.314) 3.655 9.315 ( -0.711 -2.776 -5.638) 6.324 9.318 ( -3.739 -2.645 -5.182) 6.915 9.750 ( 3.133 5.614 -1.730) 6.658 9.830 ( -0.353 1.451 -1.453) 2.083 10.032 ( 0.365 4.901 -1.201) 5.059 10.131 ( -1.293 -0.234 0.740) 1.508 10.597 ( -7.047 5.501 -0.731) 8.970 10.708 ( 4.401 -1.299 5.682) 7.303 10.846 ( 7.778 -1.919 4.992) 9.439 10.985 ( -3.661 -7.875 -4.525) 9.793 11.854 ( 0.142 14.161 -0.454) 14.169 12.337 ( -4.440 -5.676 -2.336) 7.576 12.636 ( 1.136 5.110 3.180) 6.125 12.814 ( 0.236 -3.767 1.529) 4.072 14.285 ( -1.878 16.745 3.127) 17.138 14.922 ( 2.351 -8.174 -5.340) 10.043 15.228 ( -0.126 3.013 7.680) 8.250 15.474 ( -1.731 -4.450 -0.512) 4.802 15.962 ( 1.515 -4.335 -4.713) 6.581 16.093 ( -1.300 -6.212 -6.538) 9.112 16.409 ( -3.661 3.571 -10.565) 11.738 16.601 ( 0.593 -4.584 -5.613) 7.271 17.162 ( 2.784 9.769 8.856) 13.476 17.534 ( 2.338 -4.493 11.680) 12.731 18.321 ( -0.726 24.273 3.930) 24.600 19.417 ( -0.419 -23.572 -7.719) 24.807 ======================= Grid point 133 (65/170) ======================= q-point: ( 0.09 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 7.543 17.631 -0.985) 19.202 1.719 ( 10.174 11.602 6.397) 16.704 2.068 ( -2.118 11.745 -11.921) 16.868 2.209 ( 7.620 -2.961 3.354) 8.837 2.314 ( -1.973 -4.832 0.729) 5.270 2.593 ( -4.956 -6.893 -6.161) 10.490 2.671 ( -5.568 3.446 -1.799) 6.790 2.819 ( -2.086 -5.217 -3.640) 6.695 2.866 ( -2.836 1.273 2.036) 3.716 3.079 ( 0.304 -7.302 6.811) 9.990 3.134 ( -0.494 1.288 -0.153) 1.388 3.401 ( -3.817 -7.226 -1.630) 8.333 3.901 ( -0.021 1.601 10.275) 10.399 3.993 ( -4.513 5.447 -1.590) 7.250 4.029 ( 3.536 -1.821 8.868) 9.720 4.177 ( -3.394 0.990 -2.106) 4.115 4.299 ( -2.114 -0.201 3.534) 4.123 4.389 ( 0.164 0.888 0.787) 1.198 5.297 ( -4.446 -3.365 -3.445) 6.554 5.369 ( -3.323 -7.787 -4.181) 9.443 5.991 ( -0.084 -3.138 -0.253) 3.149 6.038 ( 3.092 -4.142 -0.708) 5.217 6.502 ( -6.807 -1.731 -6.215) 9.378 6.613 ( -2.893 -5.819 -3.399) 7.333 7.179 ( -5.632 3.826 -0.080) 6.809 7.330 ( -1.405 -4.200 0.740) 4.490 7.472 ( 2.531 0.996 2.065) 3.415 7.535 ( 0.651 -2.320 -0.314) 2.430 7.603 ( 6.975 -3.494 -0.295) 7.807 7.691 ( 9.952 -6.604 1.864) 12.088 8.509 ( 0.798 1.503 5.785) 6.030 8.589 ( 2.081 -0.393 12.517) 12.695 8.846 ( 5.029 1.995 7.427) 9.189 8.976 ( 5.020 -0.524 0.739) 5.102 9.179 ( -1.697 -2.840 -8.851) 9.449 9.255 ( 1.955 -2.448 -8.226) 8.802 9.774 ( 0.895 4.732 -2.462) 5.409 9.851 ( 4.600 1.584 -0.656) 4.909 10.038 ( 1.189 4.601 0.283) 4.760 10.134 ( 0.578 0.184 0.253) 0.657 10.465 ( -7.213 6.285 -0.051) 9.567 10.759 ( -6.537 -5.454 3.766) 9.309 10.911 ( 4.159 -0.631 -5.985) 7.316 11.073 ( 9.193 -4.355 6.810) 12.242 11.883 ( 3.548 12.777 1.337) 13.328 12.238 ( -1.920 -1.544 -3.948) 4.654 12.656 ( -3.211 3.745 3.033) 5.791 12.795 ( -4.465 -3.475 1.903) 5.969 14.392 ( 9.483 15.571 3.387) 18.544 14.941 ( 7.182 -7.244 -6.222) 11.949 15.356 ( 4.464 3.318 6.663) 8.680 15.454 ( -0.927 -3.983 1.436) 4.334 15.910 ( 0.908 -5.830 -9.137) 10.876 16.012 ( 2.266 -5.753 -6.072) 8.666 16.263 ( -1.369 4.907 -4.653) 6.899 16.588 ( 4.510 -8.473 -5.318) 10.974 17.307 ( 0.992 13.300 10.208) 16.796 17.644 ( -0.460 6.029 3.693) 7.085 18.339 ( -6.186 11.286 10.583) 16.663 19.248 ( -6.901 -22.339 -11.472) 26.044 ======================= Grid point 134 (66/170) ======================= q-point: ( 0.18 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 5.545 12.556 -1.344) 13.792 1.907 ( 0.004 11.832 2.352) 12.063 1.954 ( 10.218 6.345 -12.158) 17.102 2.223 ( -7.149 -5.360 -3.061) 9.445 2.301 ( 2.307 2.535 -4.490) 5.649 2.467 ( -4.893 -6.278 -0.893) 8.009 2.566 ( -5.028 -3.058 4.560) 7.445 2.711 ( -3.080 -6.600 -5.117) 8.901 2.901 ( 0.420 2.913 3.597) 4.648 3.103 ( -2.937 -0.764 1.415) 3.349 3.184 ( 0.198 -4.974 8.764) 10.079 3.290 ( -5.122 -6.038 -4.445) 9.080 3.868 ( -5.371 5.405 -2.525) 8.027 4.021 ( 0.207 4.696 7.420) 8.784 4.072 ( -3.753 0.324 -1.390) 4.015 4.219 ( 4.242 0.192 8.357) 9.374 4.311 ( -1.117 -1.912 4.067) 4.631 4.380 ( -1.509 -1.621 -0.135) 2.219 5.160 ( -7.224 -2.438 -2.504) 8.025 5.253 ( -5.204 -7.132 -3.392) 9.458 5.981 ( -1.174 0.569 -1.842) 2.257 6.087 ( 3.104 -3.483 0.743) 4.724 6.404 ( 2.504 -3.028 -2.865) 4.863 6.539 ( -3.437 -8.921 -0.003) 9.560 7.104 ( -4.180 4.305 1.202) 6.120 7.292 ( -2.465 -4.714 -1.058) 5.423 7.464 ( -2.190 -1.060 -0.789) 2.558 7.535 ( -2.383 -2.352 1.324) 3.601 7.765 ( 11.325 0.691 1.824) 11.492 7.899 ( 10.867 -4.635 1.133) 11.869 8.565 ( 0.171 3.394 3.295) 4.734 8.725 ( -1.555 -2.314 8.333) 8.787 9.006 ( 4.991 0.990 -1.244) 5.238 9.090 ( 5.757 2.238 -3.309) 7.007 9.110 ( 5.637 -2.206 2.949) 6.734 9.225 ( 6.426 -1.180 -7.362) 9.843 9.762 ( 1.296 5.248 -2.080) 5.792 9.885 ( 0.885 0.555 -2.616) 2.817 10.085 ( 2.968 4.120 1.524) 5.302 10.136 ( 0.132 1.743 -0.679) 1.876 10.405 ( -1.844 2.309 3.549) 4.618 10.638 ( -8.598 -7.287 -0.132) 11.271 10.926 ( 3.169 6.562 -4.311) 8.467 11.244 ( 4.825 -5.960 1.692) 7.852 12.023 ( 8.033 11.354 6.246) 15.246 12.213 ( 3.507 3.451 -3.031) 5.779 12.598 ( -6.579 2.770 1.516) 7.298 12.729 ( -5.565 -4.322 1.927) 7.305 14.630 ( 13.917 12.142 2.741) 18.672 14.997 ( 8.438 -5.027 -7.396) 12.295 15.384 ( -1.948 3.434 -2.067) 4.456 15.569 ( 3.734 -1.379 10.067) 10.825 15.825 ( 3.029 -2.270 -8.993) 9.757 16.055 ( 8.355 -1.944 -3.343) 9.206 16.295 ( 6.910 -1.789 3.112) 7.787 16.623 ( 6.641 -10.879 -4.986) 13.686 17.401 ( -1.939 16.271 6.952) 17.800 17.590 ( -4.517 16.629 -4.810) 17.890 18.363 ( -9.809 -3.636 16.776) 19.770 18.945 ( -12.264 -20.635 -13.979) 27.778 ======================= Grid point 135 (67/170) ======================= q-point: ( 0.27 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 1.179 7.316 -4.641) 8.744 1.852 ( -3.605 5.917 -3.957) 7.979 2.011 ( 6.148 4.074 -7.223) 10.323 2.047 ( -6.613 0.093 -4.672) 8.097 2.311 ( 1.476 4.011 2.553) 4.978 2.372 ( -5.146 -2.165 -0.087) 5.584 2.591 ( -2.688 -7.335 5.694) 9.667 2.647 ( 1.309 -6.032 -2.507) 6.662 2.898 ( -2.950 5.267 -0.418) 6.052 3.075 ( -2.697 -0.824 1.285) 3.099 3.142 ( -5.789 -3.621 -4.962) 8.441 3.258 ( -2.225 -6.660 6.022) 9.250 3.794 ( -0.557 3.617 -0.586) 3.706 3.963 ( -2.747 3.902 -2.805) 5.536 4.105 ( -1.927 -4.547 5.030) 7.049 4.326 ( 0.019 -4.979 -2.432) 5.541 4.361 ( 1.408 0.679 4.115) 4.402 4.383 ( 2.227 1.769 5.717) 6.385 5.030 ( -6.245 -0.855 -0.268) 6.309 5.134 ( -5.614 -5.709 -1.774) 8.201 5.913 ( -2.933 3.079 -2.135) 4.758 6.162 ( 3.782 -4.430 1.464) 6.005 6.489 ( 6.712 -5.614 -0.693) 8.777 6.525 ( 1.902 -6.665 3.225) 7.645 7.056 ( -4.435 4.362 2.219) 6.604 7.227 ( -3.156 -3.055 -2.321) 4.968 7.411 ( -2.193 -0.126 -1.926) 2.921 7.497 ( -3.396 -2.575 0.847) 4.345 7.972 ( 8.158 0.936 4.555) 9.390 8.039 ( 5.885 -2.111 -1.619) 6.458 8.609 ( 2.390 4.907 2.316) 5.930 8.745 ( -0.058 -1.130 0.945) 1.474 8.973 ( 0.475 2.620 -7.341) 7.809 9.116 ( 3.586 -5.558 -4.809) 8.178 9.282 ( 7.104 4.799 -1.214) 8.658 9.346 ( 8.986 0.756 4.563) 10.107 9.762 ( 0.460 5.263 0.499) 5.307 9.886 ( 3.215 2.578 -0.615) 4.166 10.130 ( 1.383 -0.720 0.118) 1.564 10.155 ( 2.224 1.206 -0.260) 2.543 10.447 ( 0.107 -0.137 3.850) 3.854 10.501 ( -7.023 -4.262 -0.256) 8.219 10.927 ( 2.593 8.931 -2.908) 9.744 11.276 ( 0.214 -5.681 -1.962) 6.014 12.187 ( 2.693 10.285 0.179) 10.633 12.306 ( 9.369 7.849 3.058) 12.599 12.489 ( -6.954 1.291 -0.418) 7.085 12.685 ( -2.390 -5.878 3.273) 7.139 14.870 ( 11.534 6.163 0.577) 13.090 15.056 ( 8.351 -2.896 -5.296) 10.304 15.323 ( -3.750 6.137 0.612) 7.218 15.693 ( -0.799 -6.930 4.740) 8.434 15.867 ( 9.311 10.453 1.250) 14.055 16.181 ( 11.369 5.683 -3.943) 13.308 16.553 ( 15.909 -10.669 6.768) 20.316 16.693 ( 7.815 -11.870 -3.670) 14.678 17.329 ( -5.736 20.714 -10.274) 23.823 17.486 ( -5.673 16.158 4.865) 17.803 18.368 ( -12.463 -12.045 15.357) 23.157 18.550 ( -15.897 -18.492 -13.657) 27.950 ======================= Grid point 136 (68/170) ======================= q-point: ( 0.36 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -2.028 3.113 -5.654) 6.765 1.766 ( 0.119 6.335 4.696) 7.886 1.885 ( -6.416 0.533 -6.385) 9.067 2.030 ( 6.770 -1.085 -5.480) 8.778 2.293 ( -3.969 0.387 -0.928) 4.095 2.393 ( 0.649 4.073 7.030) 8.151 2.570 ( -5.357 -7.571 3.077) 9.771 2.676 ( 1.102 -4.031 1.888) 4.586 2.835 ( -1.684 6.283 -1.507) 6.677 2.975 ( -5.694 -3.920 -4.084) 8.029 3.064 ( -1.848 4.316 0.573) 4.729 3.254 ( -2.463 -5.511 1.446) 6.207 3.834 ( 4.048 -0.832 1.052) 4.265 3.917 ( 0.259 1.870 -2.229) 2.921 4.106 ( -2.310 -7.740 2.756) 8.534 4.254 ( -3.295 -8.698 -3.583) 9.967 4.418 ( 2.424 3.042 -1.496) 4.168 4.467 ( 1.923 1.747 1.103) 2.822 4.953 ( -4.016 0.883 1.339) 4.325 5.032 ( -4.746 -3.368 -0.884) 5.887 5.865 ( -1.185 3.493 -0.188) 3.693 6.221 ( 1.795 -9.034 0.602) 9.231 6.575 ( 5.201 -2.847 1.993) 6.256 6.672 ( 7.367 -3.842 3.832) 9.150 6.996 ( -5.580 4.096 1.642) 7.115 7.137 ( -4.142 -1.592 -2.754) 5.223 7.355 ( -1.302 1.348 -2.669) 3.261 7.451 ( -2.838 -1.886 0.483) 3.442 8.032 ( 1.113 0.523 -5.834) 5.962 8.122 ( 2.802 -2.418 2.513) 4.474 8.725 ( 6.674 7.992 4.640) 11.399 8.761 ( 1.898 3.872 -2.208) 4.845 8.893 ( -1.597 3.724 -4.890) 6.350 9.122 ( 5.084 -7.687 -4.483) 10.249 9.335 ( 1.225 5.232 0.943) 5.456 9.518 ( 6.738 -1.177 1.894) 7.098 9.816 ( 1.113 4.538 4.513) 6.496 9.963 ( 3.934 2.863 2.587) 5.511 10.144 ( 1.288 -0.513 -2.148) 2.556 10.174 ( 1.340 -3.665 -0.809) 3.985 10.404 ( -2.367 1.895 -1.894) 3.575 10.471 ( -2.383 -0.901 2.084) 3.292 10.960 ( 2.947 7.924 0.465) 8.467 11.241 ( -1.551 -3.929 -1.068) 4.357 12.174 ( -0.483 10.534 -2.352) 10.804 12.365 ( -4.319 2.573 -1.888) 5.370 12.490 ( 6.067 4.216 1.978) 7.648 12.714 ( 0.436 -4.528 2.679) 5.279 14.991 ( 6.113 3.772 -2.324) 7.549 15.194 ( 9.338 -3.856 1.554) 10.221 15.281 ( -3.985 7.818 4.216) 9.735 15.682 ( -4.075 -8.752 2.614) 10.002 16.104 ( 10.191 17.905 7.330) 21.867 16.334 ( 12.996 10.862 -3.989) 17.401 16.752 ( 6.678 -6.094 -4.641) 10.163 16.907 ( 10.456 -8.244 4.250) 13.977 17.111 ( 1.224 11.286 -12.571) 16.938 17.468 ( -4.007 12.158 7.055) 14.616 18.092 ( -16.233 -17.080 -14.715) 27.780 18.331 ( -14.602 -15.223 12.953) 24.754 ======================= Grid point 137 (69/170) ======================= q-point: ( 0.45 0.38 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -4.337 1.369 -2.493) 5.187 1.727 ( -1.101 -0.089 -5.915) 6.017 1.910 ( 6.106 4.953 8.952) 11.914 2.130 ( 9.034 -2.217 -1.266) 9.388 2.231 ( -1.649 0.616 -1.201) 2.131 2.409 ( -6.151 0.946 2.668) 6.771 2.542 ( -3.460 -3.900 7.012) 8.737 2.696 ( -0.691 -1.300 2.270) 2.705 2.859 ( -0.698 4.338 -1.228) 4.562 2.869 ( 2.234 -0.262 1.007) 2.465 3.053 ( -0.792 5.083 1.560) 5.376 3.217 ( -2.136 -4.040 -1.836) 4.925 3.903 ( 2.060 0.162 -1.854) 2.777 3.908 ( 1.778 -3.035 -0.506) 3.554 4.097 ( -3.704 -9.250 1.665) 10.102 4.168 ( 0.739 -8.884 -3.994) 9.768 4.392 ( 0.468 3.017 -7.459) 8.060 4.450 ( -1.203 0.737 -5.408) 5.589 4.919 ( -2.064 1.777 1.373) 3.050 4.969 ( -1.636 -1.630 -0.417) 2.347 5.867 ( 0.158 3.071 1.960) 3.647 6.235 ( 0.068 -11.414 -0.611) 11.430 6.679 ( 2.623 0.623 2.495) 3.674 6.798 ( 1.809 -1.588 2.509) 3.477 6.930 ( -4.200 2.094 2.427) 5.284 7.052 ( -0.999 -1.297 -2.164) 2.713 7.317 ( 0.713 2.131 -2.623) 3.454 7.420 ( -1.251 -1.296 0.012) 1.801 7.961 ( 0.829 2.101 -8.671) 8.960 8.146 ( 0.138 -5.541 -1.690) 5.794 8.715 ( -0.166 5.721 -5.165) 7.709 8.785 ( -2.202 5.121 -5.636) 7.927 8.961 ( 7.956 8.638 9.758) 15.269 9.212 ( 4.821 -5.355 3.828) 8.159 9.370 ( -0.292 3.499 4.296) 5.549 9.609 ( 3.812 -2.867 -0.637) 4.812 9.816 ( -5.651 2.940 0.716) 6.410 10.037 ( -1.196 0.429 4.168) 4.357 10.161 ( 3.743 -0.335 -1.471) 4.036 10.191 ( 2.746 -0.574 -0.973) 2.970 10.359 ( -0.075 2.695 -3.610) 4.505 10.422 ( -3.678 0.656 -1.031) 3.876 11.020 ( 1.548 6.740 2.962) 7.523 11.224 ( -0.471 -1.994 1.531) 2.558 12.158 ( 0.914 9.223 -0.297) 9.273 12.313 ( 0.014 1.452 -0.088) 1.455 12.550 ( 1.536 3.647 -2.723) 4.803 12.710 ( -2.497 -2.582 -1.636) 3.947 15.075 ( 5.394 6.036 0.996) 8.156 15.247 ( -3.359 1.782 5.089) 6.353 15.388 ( 4.085 -1.392 7.064) 8.278 15.638 ( -4.372 -7.398 3.210) 9.173 16.221 ( -1.876 16.871 -1.279) 17.023 16.548 ( 8.809 17.938 5.086) 20.621 16.765 ( 4.202 11.069 -4.496) 12.665 16.891 ( 4.015 -6.697 -9.297) 12.141 17.142 ( 3.476 1.726 -10.007) 10.733 17.546 ( -6.769 5.833 5.952) 10.736 17.777 ( 5.270 -23.863 -4.589) 24.865 18.210 ( -13.917 -16.111 7.884) 22.703 ======================= Grid point 138 (70/170) ======================= q-point: (-0.45 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.739 4.028 -3.751) 5.554 1.752 ( 8.530 -1.232 -2.629) 9.011 2.091 ( 0.993 -1.796 8.631) 8.872 2.197 ( -0.681 -5.307 2.689) 5.988 2.282 ( 4.790 6.471 0.386) 8.060 2.346 ( -0.688 3.866 1.813) 4.325 2.582 ( -1.532 -2.117 6.853) 7.335 2.710 ( -0.176 -5.957 1.400) 6.122 2.860 ( 2.205 7.553 2.670) 8.309 2.950 ( 2.894 1.647 -1.044) 3.490 3.100 ( 1.412 1.980 7.472) 7.858 3.134 ( -2.986 -3.049 -4.799) 6.422 3.895 ( -1.956 -2.152 -2.702) 3.969 3.908 ( 1.720 1.608 -1.169) 2.629 3.995 ( -4.340 -4.710 -4.987) 8.117 4.220 ( 5.880 -11.184 -0.420) 12.643 4.278 ( -0.935 1.892 -12.249) 12.429 4.329 ( -2.878 -1.840 -7.098) 7.877 4.916 ( 0.172 2.199 0.866) 2.370 4.979 ( 2.981 -1.829 0.251) 3.507 5.912 ( 1.085 1.911 4.159) 4.704 6.212 ( -1.238 -10.039 -1.878) 10.287 6.658 ( -7.079 1.437 2.149) 7.537 6.811 ( -4.669 -2.525 1.840) 5.618 6.886 ( 0.055 4.807 0.270) 4.815 7.113 ( 6.441 -3.358 1.543) 7.426 7.327 ( 3.222 0.619 -1.535) 3.622 7.408 ( 0.219 -1.195 -0.755) 1.431 7.877 ( 1.272 2.278 -9.389) 9.745 8.103 ( -0.314 -7.326 -5.563) 9.204 8.648 ( -1.889 5.751 -3.781) 7.137 8.704 ( -1.086 3.516 -3.712) 5.227 9.181 ( 3.377 7.688 10.054) 13.099 9.305 ( -0.832 -2.316 5.697) 6.206 9.433 ( 0.718 5.009 5.229) 7.277 9.616 ( -5.689 -1.039 1.868) 6.077 9.725 ( -0.052 0.805 -1.574) 1.769 9.982 ( -6.211 -5.287 -0.840) 8.199 10.206 ( 1.956 1.466 -2.081) 3.211 10.235 ( 2.113 5.970 0.045) 6.333 10.300 ( -3.002 1.038 -3.265) 4.555 10.378 ( 1.815 -0.355 -1.106) 2.155 11.070 ( -0.834 6.832 5.029) 8.525 11.253 ( 1.296 -1.117 1.422) 2.225 12.198 ( 2.556 8.407 1.489) 8.913 12.358 ( 3.146 2.396 1.719) 4.312 12.488 ( -3.228 2.682 -4.978) 6.511 12.600 ( -4.780 -2.660 -5.535) 7.782 15.182 ( 2.856 5.863 4.646) 8.007 15.271 ( -1.726 0.226 6.890) 7.107 15.443 ( -7.699 -0.187 7.253) 10.579 15.643 ( -0.335 -0.695 3.086) 3.181 16.100 ( -6.722 11.208 -1.232) 13.128 16.564 ( -6.390 10.243 -0.536) 12.085 16.825 ( -4.041 2.767 -6.504) 8.142 16.842 ( -1.666 -13.736 -7.351) 15.668 17.090 ( 12.332 18.192 -4.487) 22.431 17.408 ( 0.140 9.932 -4.218) 10.792 17.966 ( -6.210 -17.218 2.128) 18.427 18.193 ( 14.334 -21.181 7.963) 26.786 ======================= Grid point 139 (71/170) ======================= q-point: (-0.36 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 7.395 7.041 -3.527) 10.803 1.922 ( 14.032 -1.302 -1.614) 14.184 2.108 ( -4.278 -2.000 3.610) 5.944 2.204 ( -4.365 5.860 -1.746) 7.513 2.333 ( 5.455 -0.269 6.039) 8.142 2.440 ( 1.793 3.293 4.535) 5.884 2.596 ( -4.450 -3.853 2.883) 6.555 2.766 ( 2.979 -6.284 3.870) 7.958 2.883 ( -2.704 0.662 -1.686) 3.254 2.948 ( 1.310 0.598 -4.343) 4.576 3.066 ( -0.811 4.208 0.537) 4.319 3.240 ( 2.890 -1.680 8.926) 9.531 3.802 ( -0.185 2.960 -11.351) 11.732 3.869 ( -2.119 0.589 -0.529) 2.262 3.964 ( 3.425 1.665 0.795) 3.890 4.085 ( -2.331 0.874 -15.408) 15.608 4.264 ( 0.330 -6.992 -1.482) 7.155 4.312 ( 4.845 -10.349 0.373) 11.433 4.956 ( 4.110 2.383 0.574) 4.785 5.065 ( 6.520 -3.259 0.596) 7.313 5.989 ( 1.509 0.042 5.114) 5.332 6.157 ( -1.975 -6.431 -2.670) 7.238 6.564 ( -6.104 0.154 2.289) 6.521 6.694 ( -9.471 -3.729 1.818) 10.340 6.952 ( 4.892 6.859 1.450) 8.548 7.222 ( 3.983 -2.502 0.674) 4.751 7.381 ( 4.127 -3.118 -0.860) 5.243 7.420 ( 2.289 -3.025 0.557) 3.834 7.800 ( 0.960 1.185 -7.445) 7.599 8.015 ( -1.175 -8.109 -7.797) 11.311 8.576 ( -2.540 5.690 -2.680) 6.783 8.643 ( -2.417 2.595 -2.878) 4.567 9.240 ( -5.229 4.462 -0.146) 6.876 9.292 ( -7.369 1.469 2.361) 7.876 9.401 ( -6.742 2.858 4.582) 8.638 9.609 ( -5.009 -2.039 8.711) 10.253 9.761 ( 3.884 1.518 2.426) 4.825 9.913 ( 1.128 -0.287 -0.619) 1.318 10.144 ( -3.722 4.604 -3.669) 6.965 10.200 ( -4.022 0.887 -2.734) 4.943 10.283 ( 3.341 3.370 -0.918) 4.833 10.435 ( 3.934 -2.809 0.499) 4.859 11.104 ( -2.258 6.235 5.237) 8.450 11.271 ( -0.056 -0.734 -1.130) 1.349 12.219 ( -4.350 11.368 -0.994) 12.213 12.334 ( -3.467 5.390 -3.940) 7.523 12.422 ( 0.359 -1.728 -0.558) 1.850 12.534 ( 3.647 -5.091 -0.919) 6.330 15.221 ( -11.599 6.573 9.082) 16.131 15.281 ( -5.693 1.757 3.296) 6.809 15.400 ( 1.472 3.432 1.045) 3.878 15.630 ( -5.537 3.673 4.902) 8.257 16.067 ( -2.296 -1.074 6.803) 7.260 16.392 ( -10.317 3.384 -5.035) 11.968 16.519 ( -10.750 -5.528 -8.203) 14.608 16.809 ( -0.520 -7.491 -1.853) 7.735 17.197 ( 3.559 13.327 -5.142) 14.721 17.547 ( 16.765 22.350 0.715) 27.948 17.779 ( -9.570 -12.741 -6.151) 17.081 18.607 ( 20.295 -23.346 7.976) 31.946 ======================= Grid point 140 (72/170) ======================= q-point: (-0.27 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 5.233 11.959 -3.663) 13.558 1.951 ( -11.102 12.978 -5.781) 18.031 2.126 ( 12.582 -1.841 -5.572) 13.883 2.220 ( 3.188 -2.983 4.403) 6.201 2.411 ( -3.587 0.592 -3.170) 4.823 2.530 ( 2.467 -2.090 8.417) 9.017 2.566 ( -0.557 -1.626 5.507) 5.769 2.790 ( -0.606 -1.815 -0.918) 2.122 2.848 ( -0.982 -1.268 1.374) 2.112 2.936 ( 2.512 -6.952 -1.793) 7.607 3.067 ( -0.030 8.786 1.168) 8.864 3.355 ( 1.060 -4.275 4.502) 6.298 3.682 ( 0.898 1.907 -9.582) 9.811 3.872 ( -0.297 -3.947 -9.258) 10.069 3.929 ( 2.379 5.912 0.975) 6.447 4.049 ( 4.870 4.121 0.600) 6.408 4.278 ( 0.874 -8.981 1.451) 9.140 4.382 ( 2.619 -7.164 0.815) 7.671 5.066 ( 8.320 1.757 0.329) 8.510 5.196 ( 8.410 -4.701 0.359) 9.641 6.027 ( -1.592 -0.987 -0.650) 1.982 6.126 ( -0.024 -5.261 1.841) 5.574 6.529 ( -0.927 -1.336 2.151) 2.697 6.585 ( -5.858 -3.050 3.157) 7.320 7.063 ( 4.640 6.341 3.771) 8.715 7.252 ( 1.491 -1.280 -2.377) 3.085 7.420 ( 3.683 -2.632 -2.572) 5.206 7.500 ( 2.104 -7.801 4.672) 9.333 7.740 ( -0.492 -0.644 -4.458) 4.531 7.896 ( -2.980 -7.846 -7.066) 10.971 8.498 ( -3.281 5.015 -2.980) 6.693 8.564 ( -4.120 1.968 -0.669) 4.614 9.007 ( -12.178 5.900 -7.889) 15.663 9.166 ( -9.959 0.076 -1.529) 10.076 9.380 ( -4.431 1.258 5.708) 7.334 9.570 ( -6.986 -7.167 6.320) 11.837 9.902 ( 2.717 7.336 7.299) 10.699 9.957 ( 3.573 3.783 -2.891) 5.953 10.035 ( -3.825 3.791 -3.312) 6.322 10.123 ( -2.607 0.184 0.977) 2.790 10.328 ( 2.509 3.272 0.345) 4.138 10.502 ( 5.034 -4.686 -1.486) 7.036 11.094 ( -3.809 3.995 0.578) 5.550 11.217 ( -4.347 -0.656 -1.128) 4.539 12.066 ( -7.790 12.160 -2.527) 14.661 12.269 ( -1.272 1.419 -0.324) 1.933 12.476 ( 4.893 -0.617 0.337) 4.943 12.610 ( 3.911 -4.036 1.044) 5.716 14.977 ( -21.178 15.336 3.268) 26.351 15.258 ( -3.241 3.259 1.850) 4.955 15.395 ( -5.221 -4.417 -1.047) 6.918 15.609 ( -5.625 -2.625 7.164) 9.479 16.077 ( -4.463 0.489 2.208) 5.003 16.199 ( -4.780 -4.041 -1.306) 6.394 16.375 ( -2.352 3.940 0.687) 4.640 16.798 ( -0.898 -9.996 2.643) 10.379 17.161 ( 0.363 5.383 -5.325) 7.581 17.541 ( -6.229 -8.924 -12.692) 16.719 17.845 ( 15.805 28.953 2.353) 33.070 18.996 ( 17.525 -23.971 5.131) 30.134 ======================= Grid point 141 (73/170) ======================= q-point: (-0.18 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.638 ( -4.046 16.065 -3.992) 17.040 1.693 ( -7.481 17.600 -7.040) 20.378 2.113 ( -3.425 -4.059 -8.248) 9.810 2.287 ( 1.335 -9.351 0.166) 9.447 2.412 ( 5.272 8.917 1.860) 10.525 2.573 ( -2.602 8.541 6.166) 10.851 2.684 ( 4.516 -2.762 2.734) 5.958 2.767 ( -2.761 5.957 -3.063) 7.245 2.912 ( 7.037 -6.880 2.178) 10.079 2.993 ( 3.844 -7.833 3.750) 9.497 3.109 ( 3.663 0.761 0.312) 3.754 3.367 ( -0.195 -6.607 -3.332) 7.402 3.618 ( 0.294 0.100 -3.036) 3.051 3.783 ( -0.347 -7.154 -1.655) 7.351 4.045 ( 4.734 6.057 4.975) 9.157 4.114 ( 3.886 4.967 -2.432) 6.759 4.314 ( 0.071 -5.407 3.009) 6.188 4.406 ( -0.758 -4.778 0.367) 4.852 5.214 ( 9.094 0.021 -0.701) 9.121 5.335 ( 7.979 -6.258 -0.416) 10.149 5.978 ( -1.025 -1.018 -2.044) 2.503 6.134 ( -2.627 -6.111 1.737) 6.874 6.582 ( 4.912 -1.755 1.337) 5.385 6.603 ( 2.610 -2.807 4.413) 5.845 7.166 ( 2.217 3.917 2.501) 5.149 7.241 ( 1.862 -1.099 -2.832) 3.563 7.448 ( 2.869 -3.699 -2.708) 5.409 7.555 ( -2.108 -6.829 4.337) 8.360 7.657 ( -4.848 -1.640 -3.634) 6.277 7.777 ( -4.634 -6.837 -1.842) 8.463 8.408 ( -5.036 4.119 -0.069) 6.506 8.502 ( -4.484 -0.094 1.330) 4.678 8.753 ( -7.426 7.026 -5.381) 11.552 8.975 ( -6.959 -1.709 -4.530) 8.478 9.372 ( -2.706 1.135 3.177) 4.325 9.525 ( -5.862 -6.346 3.431) 9.295 9.880 ( -3.577 5.293 -6.095) 8.830 9.931 ( -4.534 5.561 1.772) 7.391 10.015 ( 1.691 3.612 0.353) 4.004 10.156 ( -0.013 -0.653 3.862) 3.917 10.392 ( 4.809 3.882 2.116) 6.532 10.569 ( 5.453 -5.132 -2.060) 7.766 10.972 ( -6.860 4.042 -5.059) 9.433 11.145 ( -5.125 -3.949 2.421) 6.908 11.944 ( -4.570 13.151 -1.306) 13.984 12.303 ( 2.111 -2.299 4.471) 5.452 12.548 ( 3.405 1.195 -0.755) 3.687 12.680 ( 3.844 -3.582 0.640) 5.293 14.659 ( -20.061 15.990 1.872) 25.722 15.172 ( -5.591 3.838 -7.087) 9.809 15.255 ( -10.373 -6.310 6.204) 13.635 15.582 ( -4.781 -6.447 2.785) 8.496 16.009 ( -1.227 1.018 -2.951) 3.354 16.184 ( -1.681 -4.242 2.949) 5.433 16.419 ( 4.163 5.474 2.764) 7.412 16.813 ( -2.825 -6.011 2.556) 7.117 17.117 ( -3.070 -1.267 1.472) 3.633 17.325 ( 0.082 -6.048 -12.833) 14.187 18.095 ( 11.280 30.971 1.932) 33.018 19.283 ( 12.641 -24.321 1.199) 27.436 ======================= Grid point 142 (74/170) ======================= q-point: (-0.09 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -5.143 16.787 -0.694) 17.571 1.590 ( -1.212 20.873 -4.506) 21.388 2.000 ( -1.704 -4.195 -1.151) 4.671 2.287 ( 0.499 -8.420 -1.942) 8.655 2.444 ( -2.893 15.361 -3.856) 16.099 2.626 ( -0.212 10.625 7.471) 12.991 2.709 ( 3.659 4.729 -3.854) 7.114 2.802 ( 3.048 -0.398 4.586) 5.521 2.977 ( 2.994 -9.505 -4.242) 10.830 3.043 ( 0.376 -2.454 -3.278) 4.112 3.211 ( 3.810 -7.297 -3.104) 8.798 3.330 ( 1.923 -12.135 2.850) 12.613 3.651 ( 0.964 -0.077 6.721) 6.790 3.804 ( -0.446 -7.141 5.081) 8.775 4.123 ( 2.043 4.872 -3.830) 6.525 4.178 ( 4.314 5.823 4.480) 8.520 4.327 ( -2.182 -0.544 0.805) 2.389 4.374 ( -2.663 -3.310 0.849) 4.332 5.327 ( 6.090 -2.219 -2.010) 6.786 5.430 ( 4.641 -7.756 -1.817) 9.219 5.962 ( 0.933 -2.195 -0.779) 2.509 6.089 ( -3.751 -5.296 0.548) 6.513 6.683 ( 7.089 -0.877 -3.738) 8.062 6.724 ( 5.449 -3.915 1.168) 6.811 7.179 ( 0.946 -0.925 -0.176) 1.335 7.266 ( 2.379 -1.926 -1.694) 3.499 7.424 ( -4.176 0.461 0.385) 4.219 7.517 ( -5.774 -2.616 1.448) 6.502 7.572 ( -0.531 -3.773 -0.127) 3.812 7.687 ( -6.258 -6.955 0.813) 9.391 8.354 ( -2.743 2.352 3.431) 4.983 8.439 ( -4.376 -0.865 2.574) 5.150 8.681 ( -0.477 5.746 2.058) 6.122 8.880 ( 0.120 -1.768 -2.441) 3.016 9.356 ( -1.134 -0.049 -0.654) 1.310 9.443 ( -5.587 -5.124 -1.224) 7.679 9.770 ( -1.684 5.821 -4.257) 7.406 9.869 ( -2.688 2.427 -0.949) 3.744 10.037 ( 0.699 4.523 -0.513) 4.606 10.156 ( -2.987 -0.165 1.868) 3.527 10.539 ( 7.821 1.505 4.264) 9.034 10.636 ( 3.123 -3.490 0.693) 4.734 10.812 ( -5.451 4.705 -2.830) 7.737 11.083 ( -4.543 -7.601 -0.182) 8.857 11.878 ( -2.220 14.485 -0.744) 14.673 12.382 ( -0.695 -7.184 3.934) 8.220 12.579 ( 2.621 5.280 -0.471) 5.914 12.758 ( 4.199 -3.513 0.964) 5.559 14.392 ( -14.035 16.256 2.232) 21.592 14.999 ( -3.889 -5.323 -6.427) 9.206 15.199 ( -5.776 1.567 6.712) 8.993 15.523 ( -4.027 -5.504 0.509) 6.839 15.980 ( 1.506 -1.749 -3.580) 4.260 16.165 ( -1.195 -6.153 -2.285) 6.672 16.501 ( 2.906 4.756 -2.538) 6.125 16.721 ( -5.782 -3.136 -5.360) 8.485 17.073 ( -0.474 4.074 0.886) 4.196 17.355 ( 3.991 -8.411 8.278) 12.457 18.254 ( 5.503 29.928 1.753) 30.480 19.429 ( 6.391 -24.229 -3.286) 25.273 ======================= Grid point 143 (75/170) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 4.752 -5.628 -1.202) 7.463 1.764 ( 4.752 5.628 -1.202) 7.463 2.074 ( 1.033 -10.083 5.077) 11.336 2.074 ( 1.033 10.083 5.077) 11.336 2.564 ( -2.949 -13.225 -13.868) 19.389 2.564 ( -2.949 13.225 -13.868) 19.389 2.800 ( 0.495 -2.510 1.295) 2.868 2.800 ( 0.495 2.510 1.295) 2.868 2.954 ( -4.015 -2.019 -1.795) 4.839 2.954 ( -4.016 2.019 -1.795) 4.840 3.202 ( 4.351 -10.555 3.748) 12.016 3.202 ( 4.350 10.555 3.748) 12.015 3.798 ( 0.332 -2.407 12.271) 12.510 3.798 ( 0.332 2.407 12.271) 12.509 4.196 ( -2.231 -4.627 -3.205) 6.055 4.196 ( -2.230 4.627 -3.205) 6.055 4.358 ( 0.022 -2.313 3.126) 3.889 4.358 ( 0.023 2.313 3.127) 3.889 5.332 ( 0.702 -1.646 -3.444) 3.881 5.332 ( 0.702 1.646 -3.444) 3.881 5.963 ( -0.248 -2.077 -0.539) 2.160 5.964 ( -0.248 2.078 -0.538) 2.161 6.663 ( -2.089 -0.656 -7.092) 7.422 6.663 ( -2.089 0.657 -7.092) 7.422 7.269 ( 3.382 -2.798 3.952) 5.906 7.269 ( 3.383 2.798 3.953) 5.907 7.426 ( -1.427 -4.703 -0.448) 4.935 7.426 ( -1.427 4.703 -0.447) 4.935 7.520 ( -0.451 -1.453 0.873) 1.754 7.520 ( -0.452 1.453 0.873) 1.754 8.435 ( 0.461 -1.269 7.469) 7.590 8.435 ( 0.461 1.269 7.469) 7.590 8.831 ( 1.909 -4.897 2.123) 5.668 8.831 ( 1.909 4.897 2.123) 5.668 9.284 ( -2.264 -0.871 -5.354) 5.878 9.284 ( -2.264 0.871 -5.354) 5.878 9.827 ( 1.777 -1.786 -2.186) 3.335 9.827 ( 1.777 1.786 -2.186) 3.335 10.107 ( -0.834 -2.205 -0.215) 2.368 10.107 ( -0.835 2.205 -0.215) 2.368 10.684 ( -0.595 -2.013 5.244) 5.648 10.684 ( -0.594 2.013 5.243) 5.647 10.854 ( 2.215 -3.654 -3.137) 5.301 10.854 ( 2.213 3.655 -3.137) 5.301 12.143 ( -2.144 -12.364 -0.079) 12.549 12.143 ( -2.144 12.364 -0.079) 12.549 12.733 ( 0.038 -4.158 2.528) 4.867 12.733 ( 0.038 4.158 2.529) 4.867 14.644 ( 0.217 -16.505 -0.820) 16.527 14.644 ( 0.217 16.505 -0.821) 16.527 15.350 ( -0.838 -7.144 3.578) 8.034 15.350 ( -0.838 7.144 3.578) 8.034 15.969 ( 0.898 -4.447 -8.218) 9.387 15.969 ( 0.898 4.447 -8.218) 9.387 16.500 ( -3.126 -4.848 -6.752) 8.880 16.500 ( -3.125 4.848 -6.752) 8.880 17.366 ( 3.522 -9.556 13.426) 16.852 17.366 ( 3.521 9.556 13.426) 16.852 18.882 ( -0.656 -27.044 -4.678) 27.453 18.882 ( -0.656 27.044 -4.678) 27.453 ======================= Grid point 145 (76/170) ======================= q-point: ( 0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 8.177 -2.269 -0.633) 8.510 1.873 ( 8.177 2.270 -0.633) 8.510 2.166 ( 1.761 -4.613 5.271) 7.223 2.166 ( 1.761 4.613 5.272) 7.223 2.353 ( -2.408 -13.583 -13.364) 19.206 2.353 ( -2.408 13.583 -13.364) 19.206 2.750 ( -6.867 -4.131 -1.913) 8.239 2.750 ( -6.866 4.131 -1.914) 8.238 2.925 ( -0.378 -5.647 4.595) 7.290 2.925 ( -0.378 5.647 4.595) 7.290 3.246 ( -0.871 -7.305 -0.664) 7.386 3.246 ( -0.871 7.305 -0.664) 7.386 3.968 ( 2.569 -3.741 12.273) 13.085 3.968 ( 2.569 3.741 12.272) 13.084 4.113 ( -3.605 -5.205 -1.917) 6.615 4.113 ( -3.605 5.205 -1.917) 6.616 4.363 ( -3.112 -3.411 2.317) 5.166 4.363 ( -3.112 3.411 2.317) 5.166 5.267 ( -3.151 -1.454 -4.363) 5.575 5.267 ( -3.151 1.454 -4.363) 5.575 5.974 ( 2.417 -1.582 -0.526) 2.936 5.974 ( 2.417 1.584 -0.526) 2.937 6.517 ( -5.715 -2.937 -5.093) 8.199 6.517 ( -5.714 2.938 -5.095) 8.200 7.248 ( -4.427 -3.270 0.118) 5.505 7.248 ( -4.427 3.270 0.118) 5.505 7.511 ( -1.659 -1.477 1.334) 2.591 7.511 ( -1.659 1.477 1.334) 2.592 7.576 ( 13.051 -2.858 1.421) 13.436 7.576 ( 13.049 2.858 1.421) 13.434 8.557 ( 1.530 -2.445 9.409) 9.841 8.557 ( 1.530 2.445 9.410) 9.842 8.917 ( 5.348 -4.215 3.125) 7.492 8.917 ( 5.347 4.215 3.125) 7.492 9.189 ( 0.482 -3.012 -8.068) 8.625 9.189 ( 0.482 3.013 -8.068) 8.625 9.845 ( 2.835 -2.006 -2.587) 4.331 9.845 ( 2.836 2.006 -2.587) 4.331 10.110 ( 1.055 -2.325 0.644) 2.633 10.110 ( 1.055 2.325 0.645) 2.633 10.616 ( -7.674 -7.517 -0.094) 10.743 10.616 ( -7.674 7.517 -0.094) 10.742 10.970 ( 8.633 -4.907 1.442) 10.034 10.970 ( 8.634 4.908 1.444) 10.035 12.125 ( 0.939 -9.194 0.191) 9.244 12.125 ( 0.939 9.194 0.190) 9.244 12.726 ( -4.400 -3.185 2.558) 6.004 12.726 ( -4.400 3.185 2.558) 6.004 14.714 ( 8.853 -14.051 -1.575) 16.682 14.714 ( 8.853 14.052 -1.575) 16.682 15.403 ( 1.761 -2.050 4.013) 4.838 15.403 ( 1.761 2.050 4.013) 4.838 15.893 ( 2.485 -4.002 -8.581) 9.789 15.893 ( 2.485 4.002 -8.581) 9.789 16.408 ( -0.030 -8.230 -4.443) 9.353 16.408 ( -0.030 8.230 -4.443) 9.353 17.559 ( 1.290 -10.048 12.856) 16.368 17.559 ( 1.290 10.048 12.856) 16.368 18.754 ( -7.159 -23.891 -6.311) 25.727 18.754 ( -7.159 23.892 -6.311) 25.727 ======================= Grid point 147 (77/170) ======================= q-point: ( 0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 3.530 -7.736 -3.334) 9.133 1.962 ( 3.531 7.737 -3.334) 9.134 2.118 ( -2.614 -4.933 -8.071) 9.814 2.118 ( -2.615 4.934 -8.071) 9.814 2.326 ( 4.058 -2.358 1.803) 5.028 2.326 ( 4.058 2.357 1.804) 5.027 2.592 ( -7.975 -4.605 -1.363) 9.310 2.592 ( -7.975 4.605 -1.364) 9.309 2.997 ( 0.147 -6.049 5.980) 8.507 2.997 ( 0.147 6.049 5.980) 8.507 3.189 ( -2.970 -3.370 -2.159) 4.984 3.189 ( -2.970 3.370 -2.159) 4.984 3.994 ( -4.647 -5.438 -1.141) 7.243 3.994 ( -4.646 5.438 -1.141) 7.243 4.168 ( 2.905 -5.600 6.675) 9.185 4.168 ( 2.905 5.600 6.675) 9.184 4.324 ( -3.984 -2.575 3.838) 6.102 4.324 ( -3.984 2.575 3.837) 6.102 5.149 ( -5.192 -2.143 -3.368) 6.550 5.149 ( -5.192 2.144 -3.368) 6.550 6.019 ( 2.566 -2.916 -0.190) 3.889 6.020 ( 2.564 2.919 -0.191) 3.889 6.405 ( -1.682 -3.416 -1.998) 4.300 6.405 ( -1.680 3.416 -1.999) 4.300 7.191 ( -2.870 -4.380 0.141) 5.239 7.191 ( -2.870 4.380 0.141) 5.239 7.483 ( -2.346 -2.277 0.249) 3.279 7.483 ( -2.347 2.277 0.249) 3.279 7.811 ( 11.852 -3.459 2.550) 12.607 7.811 ( 11.851 3.460 2.550) 12.606 8.652 ( -0.166 -4.377 5.159) 6.767 8.652 ( -0.166 4.377 5.159) 6.767 9.038 ( 4.351 -2.397 -1.967) 5.343 9.038 ( 4.351 2.396 -1.969) 5.343 9.174 ( 8.041 -3.416 -1.901) 8.941 9.174 ( 8.040 3.417 -1.901) 8.940 9.852 ( 1.719 -3.202 -2.500) 4.410 9.852 ( 1.720 3.202 -2.499) 4.411 10.143 ( 1.547 -1.306 0.267) 2.042 10.143 ( 1.548 1.306 0.268) 2.043 10.496 ( -5.694 -5.958 0.152) 8.243 10.496 ( -5.693 5.958 0.152) 8.242 11.090 ( 5.030 -2.030 -1.029) 5.521 11.090 ( 5.032 2.031 -1.027) 5.523 12.204 ( 6.272 -4.909 3.095) 8.545 12.204 ( 6.273 4.910 3.096) 8.546 12.651 ( -7.041 -2.945 1.311) 7.744 12.651 ( -7.042 2.945 1.311) 7.745 14.856 ( 10.722 -8.841 -3.402) 14.307 14.856 ( 10.722 8.842 -3.402) 14.307 15.475 ( 1.517 -5.706 2.747) 6.512 15.475 ( 1.517 5.706 2.747) 6.512 15.914 ( 9.144 -8.404 -2.672) 12.704 15.914 ( 9.144 8.404 -2.672) 12.704 16.402 ( 3.761 -9.365 -2.295) 10.350 16.402 ( 3.761 9.365 -2.295) 10.350 17.675 ( -1.559 -7.984 7.560) 11.105 17.675 ( -1.559 7.984 7.560) 11.105 18.520 ( -12.789 -17.655 -5.243) 22.422 18.520 ( -12.789 17.655 -5.243) 22.422 ======================= Grid point 149 (78/170) ======================= q-point: ( 0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -0.236 -6.549 -6.938) 9.544 1.908 ( -0.234 6.550 -6.939) 9.545 2.005 ( -5.228 -3.398 -3.205) 7.010 2.005 ( -5.229 3.398 -3.204) 7.012 2.389 ( 1.718 -1.700 0.395) 2.449 2.389 ( 1.718 1.699 0.395) 2.449 2.518 ( -1.895 -4.550 2.584) 5.566 2.518 ( -1.896 4.551 2.584) 5.566 3.005 ( -2.733 -4.500 -1.332) 5.430 3.005 ( -2.732 4.501 -1.331) 5.430 3.144 ( -1.699 -3.175 1.618) 3.948 3.144 ( -1.699 3.174 1.618) 3.947 3.917 ( -3.102 -6.637 -0.284) 7.332 3.917 ( -3.103 6.636 -0.284) 7.331 4.167 ( -4.255 -8.201 -0.826) 9.276 4.167 ( -4.254 8.203 -0.826) 9.277 4.393 ( 2.956 -0.968 5.596) 6.402 4.393 ( 2.956 0.968 5.596) 6.402 5.042 ( -4.656 -2.487 -0.790) 5.338 5.042 ( -4.656 2.488 -0.790) 5.338 6.025 ( -0.873 7.147 -0.770) 7.241 6.025 ( -0.872 -7.144 -0.770) 7.238 6.445 ( 6.006 -1.639 1.726) 6.460 6.445 ( 6.007 1.639 1.725) 6.461 7.144 ( -3.393 -4.183 0.180) 5.390 7.144 ( -3.393 4.183 0.181) 5.390 7.446 ( -1.961 -2.578 -0.543) 3.284 7.446 ( -1.961 2.578 -0.543) 3.285 7.998 ( 6.999 -1.638 1.801) 7.410 7.998 ( 6.998 1.639 1.802) 7.410 8.703 ( 2.751 -3.430 2.711) 5.166 8.703 ( 2.751 3.430 2.712) 5.166 9.021 ( 1.794 -3.089 -7.171) 8.011 9.021 ( 1.795 3.089 -7.172) 8.012 9.347 ( 9.013 -1.241 1.612) 9.240 9.347 ( 9.013 1.241 1.613) 9.240 9.862 ( 0.978 -3.865 1.193) 4.162 9.862 ( 0.978 3.867 1.196) 4.164 10.149 ( 0.808 -1.818 -2.212) 2.975 10.150 ( 0.810 1.818 -2.211) 2.975 10.450 ( -1.835 -0.800 2.028) 2.850 10.450 ( -1.835 0.800 2.027) 2.849 11.121 ( 2.006 -2.437 -2.663) 4.129 11.121 ( 2.007 2.438 -2.661) 4.130 12.351 ( 4.951 -4.419 1.924) 6.910 12.351 ( 4.949 4.420 1.923) 6.909 12.556 ( -4.137 -6.010 1.645) 7.479 12.556 ( -4.139 6.009 1.644) 7.480 14.977 ( 8.716 -4.370 -3.070) 10.222 14.978 ( 8.716 4.370 -3.070) 10.222 15.500 ( -1.387 -9.795 1.705) 10.039 15.500 ( -1.388 9.795 1.705) 10.039 16.142 ( 17.341 -12.128 2.851) 21.352 16.142 ( 17.341 12.128 2.851) 21.352 16.475 ( 6.999 -6.877 -0.695) 9.837 16.475 ( 6.999 6.877 -0.694) 9.837 17.658 ( -4.475 -5.353 -2.684) 7.476 17.658 ( -4.475 5.353 -2.683) 7.476 18.245 ( -16.465 -5.795 0.536) 17.463 18.245 ( -16.465 5.795 0.535) 17.464 ======================= Grid point 151 (79/170) ======================= q-point: ( 0.36 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -5.788 -4.422 -4.382) 8.500 1.810 ( -5.788 4.423 -4.383) 8.502 1.927 ( 2.224 -6.564 -0.973) 6.998 1.927 ( 2.223 6.564 -0.973) 6.998 2.392 ( -2.501 -7.540 0.650) 7.970 2.392 ( -2.501 7.539 0.649) 7.970 2.541 ( -0.230 -7.968 3.649) 8.767 2.541 ( -0.231 7.968 3.649) 8.767 2.932 ( -2.054 -2.370 -2.416) 3.959 2.932 ( -2.054 2.370 -2.416) 3.959 3.142 ( -0.562 -4.326 0.907) 4.456 3.142 ( -0.563 4.326 0.907) 4.456 3.891 ( -0.350 -4.998 0.331) 5.021 3.891 ( -0.351 4.997 0.331) 5.021 4.082 ( -4.150 -6.331 -1.075) 7.646 4.082 ( -4.149 6.332 -1.076) 7.647 4.470 ( 2.473 -1.482 -0.834) 3.001 4.470 ( 2.473 1.482 -0.834) 3.001 4.977 ( -3.365 -1.721 0.620) 3.830 4.977 ( -3.365 1.722 0.620) 3.830 6.002 ( -0.699 -9.533 -0.187) 9.560 6.002 ( -0.698 9.534 -0.186) 9.561 6.595 ( 7.339 -3.116 3.693) 8.787 6.595 ( 7.340 3.116 3.692) 8.787 7.076 ( -4.595 -3.562 -0.491) 5.835 7.076 ( -4.595 3.562 -0.491) 5.835 7.409 ( -1.097 -2.681 -1.395) 3.215 7.409 ( -1.098 2.681 -1.395) 3.215 8.065 ( 1.926 -2.477 -2.452) 3.982 8.065 ( 1.926 2.477 -2.452) 3.983 8.827 ( 4.608 -0.985 5.502) 7.244 8.827 ( 4.607 0.986 5.501) 7.243 8.961 ( 2.695 -6.194 -6.897) 9.654 8.961 ( 2.695 6.193 -6.897) 9.654 9.457 ( 4.133 -4.920 -0.656) 6.459 9.457 ( 4.133 4.920 -0.657) 6.459 9.915 ( -0.366 -5.100 5.700) 7.657 9.915 ( -0.367 5.100 5.702) 7.659 10.143 ( 2.986 -1.653 -3.290) 4.740 10.143 ( 2.987 1.653 -3.291) 4.742 10.447 ( -1.100 -1.791 0.528) 2.167 10.447 ( -1.100 1.791 0.529) 2.167 11.123 ( 1.083 -7.073 -0.653) 7.185 11.123 ( 1.084 7.073 -0.652) 7.185 12.336 ( -3.273 -4.827 -1.778) 6.097 12.336 ( -3.273 4.827 -1.777) 6.097 12.603 ( 3.631 -5.902 2.099) 7.240 12.603 ( 3.631 5.902 2.099) 7.241 15.089 ( 7.002 -5.293 0.168) 8.779 15.089 ( 7.002 5.293 0.168) 8.779 15.479 ( -3.535 -10.121 2.665) 11.047 15.479 ( -3.535 10.121 2.665) 11.047 16.466 ( 15.615 -11.709 -0.914) 19.539 16.466 ( 15.616 11.709 -0.914) 19.540 16.633 ( 11.954 -10.094 4.910) 16.398 16.633 ( 11.955 10.095 4.909) 16.399 17.466 ( -7.304 -15.678 -12.526) 21.355 17.466 ( -7.304 15.678 -12.526) 21.355 18.017 ( -16.064 -12.191 6.664) 21.239 18.017 ( -16.064 12.191 6.664) 21.239 ======================= Grid point 153 (80/170) ======================= q-point: ( 0.45 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -2.350 -3.507 -4.304) 6.029 1.681 ( -2.349 3.507 -4.305) 6.029 2.015 ( 4.249 -5.980 3.884) 8.300 2.015 ( 4.248 5.980 3.883) 8.300 2.347 ( -1.463 -7.211 0.228) 7.361 2.347 ( -1.463 7.211 0.228) 7.361 2.573 ( -2.063 -7.000 4.695) 8.677 2.573 ( -2.063 7.000 4.695) 8.678 2.915 ( 1.398 -1.027 0.719) 1.878 2.915 ( 1.397 1.028 0.719) 1.877 3.136 ( -0.893 -3.379 -0.374) 3.515 3.136 ( -0.893 3.379 -0.374) 3.515 3.899 ( 0.528 -2.642 0.039) 2.695 3.899 ( 0.527 2.642 0.040) 2.695 4.018 ( -1.659 -4.054 -1.153) 4.530 4.018 ( -1.658 4.054 -1.153) 4.529 4.444 ( -0.048 -1.557 -7.629) 7.787 4.444 ( -0.048 1.558 -7.629) 7.787 4.943 ( -1.581 -0.865 0.785) 1.966 4.943 ( -1.581 0.866 0.784) 1.966 5.999 ( -0.018 -9.519 0.554) 9.535 5.999 ( -0.017 9.519 0.555) 9.535 6.732 ( 2.461 -3.545 4.463) 6.208 6.732 ( 2.462 3.545 4.463) 6.208 6.996 ( -2.905 -3.432 -1.271) 4.673 6.996 ( -2.905 3.432 -1.271) 4.672 7.383 ( 0.285 -2.771 -1.796) 3.315 7.383 ( 0.285 2.771 -1.796) 3.315 8.034 ( 0.794 -4.676 -6.198) 7.805 8.034 ( 0.795 4.676 -6.198) 7.805 8.813 ( -1.692 -2.525 -5.778) 6.529 8.813 ( -1.692 2.525 -5.778) 6.529 9.094 ( 6.469 -5.414 9.213) 12.491 9.094 ( 6.469 5.414 9.213) 12.491 9.500 ( 2.352 -7.076 0.277) 7.462 9.500 ( 2.352 7.077 0.277) 7.462 9.914 ( -5.207 -6.697 1.508) 8.616 9.915 ( -5.207 6.697 1.507) 8.616 10.196 ( 5.248 -2.027 0.044) 5.626 10.196 ( 5.248 2.028 0.041) 5.626 10.412 ( -2.048 -1.830 -2.188) 3.512 10.412 ( -2.047 1.829 -2.189) 3.511 11.149 ( 0.887 -5.120 2.222) 5.651 11.149 ( 0.888 5.120 2.223) 5.652 12.290 ( -0.148 -3.619 -0.288) 3.633 12.290 ( -0.148 3.619 -0.288) 3.633 12.637 ( -0.117 -4.339 -2.181) 4.857 12.637 ( -0.117 4.339 -2.181) 4.858 15.202 ( 3.462 -5.445 3.466) 7.324 15.202 ( 3.462 5.445 3.466) 7.324 15.465 ( -2.421 -7.830 4.919) 9.559 15.465 ( -2.420 7.830 4.919) 9.559 16.574 ( 3.348 -15.504 -4.762) 16.561 16.574 ( 3.348 15.504 -4.762) 16.561 16.888 ( 3.595 -11.336 -0.320) 11.897 16.888 ( 3.595 11.337 -0.321) 11.897 17.279 ( 7.325 -20.093 -5.880) 22.180 17.279 ( 7.325 20.093 -5.880) 22.180 17.849 ( -12.690 -17.610 5.335) 22.352 17.849 ( -12.690 17.610 5.336) 22.352 ======================= Grid point 155 (81/170) ======================= q-point: (-0.45 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 5.972 -6.427 -4.207) 9.730 1.663 ( 5.971 6.427 -4.208) 9.730 2.092 ( -0.495 -3.312 4.770) 5.828 2.092 ( -0.495 3.312 4.770) 5.828 2.404 ( 4.684 -3.398 3.791) 6.918 2.404 ( 4.684 3.397 3.791) 6.917 2.573 ( -3.006 -5.097 3.132) 6.696 2.573 ( -3.006 5.098 3.132) 6.696 2.960 ( 1.312 -2.502 -0.442) 2.860 2.960 ( 1.312 2.502 -0.442) 2.859 3.119 ( -1.176 -0.821 3.105) 3.421 3.119 ( -1.176 0.821 3.105) 3.421 3.895 ( -0.901 -2.459 0.025) 2.619 3.895 ( -0.900 2.459 0.026) 2.619 4.014 ( 3.282 -7.180 -2.306) 8.225 4.014 ( 3.282 7.182 -2.307) 8.226 4.308 ( -2.065 -1.046 -12.170) 12.388 4.308 ( -2.065 1.046 -12.170) 12.388 4.948 ( 1.009 -1.207 1.081) 1.909 4.948 ( 1.010 1.207 1.081) 1.909 6.013 ( 0.437 -7.706 1.228) 7.815 6.013 ( 0.437 7.707 1.228) 7.816 6.727 ( -7.846 -4.323 3.307) 9.549 6.727 ( -7.846 4.323 3.307) 9.549 7.003 ( 4.210 -5.737 0.382) 7.126 7.003 ( 4.209 5.737 0.382) 7.126 7.377 ( 1.499 -2.244 -2.063) 3.397 7.377 ( 1.499 2.245 -2.063) 3.398 7.962 ( 0.753 -5.682 -8.700) 10.418 7.962 ( 0.753 5.683 -8.699) 10.418 8.727 ( -1.908 -1.500 -3.926) 4.616 8.727 ( -1.907 1.501 -3.926) 4.616 9.263 ( -0.211 -1.824 9.831) 10.001 9.263 ( -0.210 1.825 9.831) 10.001 9.554 ( 1.055 -5.071 2.543) 5.770 9.554 ( 1.057 5.071 2.544) 5.771 9.815 ( -4.143 -7.669 -1.763) 8.893 9.815 ( -4.144 7.669 -1.765) 8.894 10.271 ( 1.239 -2.840 0.150) 3.102 10.271 ( 1.239 2.841 0.149) 3.103 10.346 ( -0.939 -2.928 -2.482) 3.951 10.346 ( -0.939 2.928 -2.482) 3.951 11.194 ( 0.371 -4.573 3.361) 5.688 11.194 ( 0.371 4.575 3.362) 5.689 12.327 ( 3.447 -4.213 1.359) 5.610 12.327 ( 3.447 4.213 1.359) 5.611 12.552 ( -4.669 -2.791 -5.260) 7.567 12.552 ( -4.668 2.791 -5.260) 7.567 15.261 ( -1.873 -2.095 5.199) 5.910 15.261 ( -1.873 2.095 5.199) 5.910 15.524 ( 0.025 -7.357 7.757) 10.691 15.524 ( 0.025 7.357 7.757) 10.691 16.454 ( -8.677 -19.301 -8.783) 22.912 16.454 ( -8.677 19.301 -8.783) 22.912 16.759 ( -6.153 -7.890 -4.744) 11.073 16.759 ( -6.153 7.890 -4.744) 11.073 17.531 ( 12.271 -19.727 -1.606) 23.288 17.531 ( 12.272 19.728 -1.605) 23.289 17.764 ( 1.556 -17.551 5.862) 18.569 17.764 ( 1.556 17.550 5.862) 18.569 ======================= Grid point 157 (82/170) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 11.378 -10.188 -3.617) 15.695 1.770 ( 11.378 10.188 -3.617) 15.695 2.154 ( 1.959 -4.845 4.947) 7.196 2.154 ( 1.959 4.844 4.947) 7.196 2.458 ( -3.436 -5.847 -0.276) 6.788 2.458 ( -3.436 5.847 -0.276) 6.787 2.597 ( 1.282 -7.829 6.148) 10.037 2.597 ( 1.282 7.829 6.148) 10.037 2.906 ( -2.023 -2.032 -5.439) 6.148 2.906 ( -2.023 2.032 -5.439) 6.148 3.189 ( -0.160 -4.242 8.103) 9.148 3.189 ( -0.160 4.242 8.103) 9.148 3.875 ( 0.362 -1.963 -4.273) 4.716 3.875 ( 0.363 1.964 -4.272) 4.715 4.044 ( 4.154 -6.399 -5.120) 9.188 4.044 ( 4.154 6.400 -5.121) 9.189 4.167 ( 0.264 -2.055 -5.547) 5.921 4.167 ( 0.264 2.055 -5.547) 5.921 5.005 ( 4.233 -2.425 1.414) 5.079 5.005 ( 4.233 2.425 1.413) 5.079 6.037 ( 0.640 -4.403 1.061) 4.573 6.037 ( 0.640 4.403 1.061) 4.574 6.611 ( -9.073 -3.695 2.930) 10.225 6.611 ( -9.072 3.695 2.931) 10.225 7.097 ( 4.313 -7.026 2.578) 8.638 7.097 ( 4.313 7.026 2.578) 8.638 7.384 ( 2.281 -1.372 -2.240) 3.479 7.384 ( 2.281 1.372 -2.240) 3.480 7.870 ( 0.082 -5.373 -8.822) 10.330 7.870 ( 0.082 5.374 -8.822) 10.330 8.655 ( -2.935 -1.646 -2.485) 4.183 8.655 ( -2.935 1.646 -2.485) 4.183 9.290 ( -6.331 -1.001 3.535) 7.320 9.290 ( -6.331 1.002 3.535) 7.320 9.503 ( -8.529 -6.028 2.386) 10.713 9.503 ( -8.529 6.029 2.385) 10.713 9.851 ( 6.158 -4.837 3.582) 8.611 9.851 ( 6.158 4.837 3.581) 8.610 10.199 ( -3.912 -1.075 -4.228) 5.860 10.199 ( -3.912 1.075 -4.227) 5.860 10.370 ( 2.192 -3.754 0.727) 4.408 10.370 ( 2.192 3.754 0.727) 4.408 11.219 ( -1.515 -4.254 2.036) 4.953 11.219 ( -1.514 4.255 2.036) 4.954 12.378 ( -5.434 -2.366 -2.982) 6.635 12.378 ( -5.435 2.366 -2.984) 6.636 12.429 ( 3.445 -4.606 -0.531) 5.777 12.429 ( 3.447 4.607 -0.529) 5.778 15.277 ( -4.533 -1.061 7.328) 8.682 15.277 ( -4.534 1.061 7.328) 8.682 15.570 ( -5.157 -8.598 3.985) 10.789 15.570 ( -5.157 8.598 3.985) 10.789 16.207 ( -8.249 -12.553 -4.256) 15.612 16.207 ( -8.249 12.553 -4.256) 15.612 16.624 ( -6.353 -8.985 -1.735) 11.141 16.624 ( -6.354 8.986 -1.735) 11.141 17.488 ( -2.256 -14.229 -8.575) 16.765 17.488 ( -2.256 14.229 -8.575) 16.765 18.083 ( 19.062 -26.170 6.979) 33.120 18.083 ( 19.062 26.170 6.979) 33.120 ======================= Grid point 159 (83/170) ======================= q-point: (-0.27 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 9.318 -12.232 -2.715) 15.615 1.916 ( 9.318 12.232 -2.714) 15.615 2.183 ( -5.174 -6.043 -2.752) 8.417 2.183 ( -5.174 6.042 -2.752) 8.417 2.421 ( 4.752 -3.706 0.941) 6.099 2.421 ( 4.752 3.707 0.941) 6.100 2.685 ( -0.248 -8.393 7.021) 10.945 2.685 ( -0.248 8.392 7.021) 10.945 2.832 ( -0.682 -2.936 -2.060) 3.650 2.832 ( -0.682 2.936 -2.060) 3.651 3.247 ( -1.551 -6.669 4.291) 8.080 3.247 ( -1.552 6.669 4.291) 8.081 3.769 ( -0.835 -5.498 -11.843) 13.084 3.769 ( -0.835 5.498 -11.843) 13.084 4.084 ( 3.355 -7.733 2.815) 8.887 4.084 ( 3.355 7.733 2.815) 8.887 4.199 ( 4.977 -8.174 -0.820) 9.605 4.199 ( 4.977 8.175 -0.820) 9.606 5.114 ( 7.011 -2.989 1.030) 7.690 5.114 ( 7.011 2.989 1.030) 7.691 6.045 ( -0.526 -2.499 -0.198) 2.562 6.045 ( -0.526 2.500 -0.197) 2.562 6.531 ( -4.363 -1.621 3.978) 6.123 6.531 ( -4.362 1.621 3.979) 6.123 7.186 ( 2.261 -5.021 2.981) 6.262 7.186 ( 2.261 5.021 2.980) 6.262 7.405 ( 2.970 -1.486 -1.678) 3.721 7.405 ( 2.970 1.486 -1.679) 3.721 7.772 ( -1.753 -3.785 -6.345) 7.593 7.772 ( -1.753 3.785 -6.345) 7.593 8.570 ( -4.459 -1.595 -1.605) 5.000 8.570 ( -4.458 1.595 -1.605) 5.000 9.118 ( -11.612 -4.263 -4.491) 13.160 9.118 ( -11.612 4.263 -4.492) 13.160 9.439 ( -5.601 -4.702 6.074) 9.507 9.439 ( -5.601 4.702 6.074) 9.507 9.996 ( 4.914 -1.098 2.619) 5.676 9.996 ( 4.914 1.098 2.619) 5.676 10.090 ( -4.749 -2.605 -1.206) 5.549 10.090 ( -4.749 2.605 -1.207) 5.549 10.413 ( 3.460 -4.239 -0.842) 5.536 10.413 ( 3.460 4.239 -0.843) 5.536 11.175 ( -4.904 -3.220 -0.563) 5.894 11.175 ( -4.903 3.221 -0.564) 5.893 12.241 ( -5.461 -4.420 -1.271) 7.140 12.241 ( -5.461 4.420 -1.271) 7.140 12.518 ( 5.095 -4.206 0.537) 6.629 12.518 ( 5.095 4.207 0.537) 6.629 15.235 ( -13.835 -7.050 7.243) 17.134 15.235 ( -13.835 7.049 7.243) 17.133 15.442 ( -5.231 -9.734 -3.993) 11.750 15.442 ( -5.231 9.734 -3.993) 11.750 16.128 ( -3.464 -3.513 3.156) 5.857 16.128 ( -3.464 3.514 3.156) 5.857 16.540 ( -3.293 -11.602 3.308) 12.506 16.540 ( -3.293 11.602 3.308) 12.506 17.340 ( -1.579 -9.824 -11.674) 15.339 17.340 ( -1.579 9.824 -11.674) 15.339 18.449 ( 16.909 -27.904 4.558) 32.944 18.449 ( 16.909 27.904 4.558) 32.944 ======================= Grid point 161 (84/170) ======================= q-point: (-0.18 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -4.684 -11.966 -6.403) 14.356 1.939 ( -4.685 11.966 -6.402) 14.357 2.036 ( -1.134 -14.374 -2.449) 14.625 2.036 ( -1.134 14.373 -2.449) 14.625 2.577 ( 9.292 -6.428 0.525) 11.311 2.577 ( 9.292 6.429 0.525) 11.311 2.776 ( 1.567 -8.433 8.373) 11.987 2.776 ( 1.567 8.433 8.373) 11.986 2.834 ( 1.854 -2.478 0.002) 3.095 2.834 ( 1.854 2.480 0.002) 3.096 3.220 ( -2.504 -7.448 -3.759) 8.710 3.220 ( -2.505 7.448 -3.759) 8.711 3.660 ( -0.876 -4.131 -2.615) 4.967 3.660 ( -0.876 4.131 -2.615) 4.967 4.182 ( 3.211 -6.005 3.772) 7.784 4.182 ( 3.211 6.005 3.772) 7.785 4.264 ( 3.405 -7.419 -0.787) 8.201 4.264 ( 3.405 7.419 -0.787) 8.201 5.239 ( 7.075 -2.731 -0.409) 7.595 5.239 ( 7.075 2.731 -0.409) 7.595 6.018 ( -1.921 -4.375 -0.444) 4.799 6.018 ( -1.921 4.375 -0.443) 4.799 6.568 ( 3.308 -0.531 3.632) 4.941 6.568 ( 3.308 0.531 3.632) 4.941 7.223 ( 0.214 -1.579 -0.412) 1.646 7.223 ( 0.214 1.579 -0.413) 1.646 7.439 ( 2.102 -3.245 -0.202) 3.872 7.439 ( 2.102 3.246 -0.202) 3.872 7.672 ( -4.948 -2.992 -1.725) 6.034 7.672 ( -4.947 2.993 -1.725) 6.034 8.478 ( -5.894 -2.313 0.624) 6.363 8.478 ( -5.894 2.313 0.624) 6.362 8.894 ( -7.389 -5.836 -4.691) 10.520 8.894 ( -7.390 5.836 -4.691) 10.520 9.416 ( -4.344 -3.576 3.637) 6.700 9.416 ( -4.344 3.576 3.637) 6.700 9.956 ( -3.510 -1.919 -4.662) 6.143 9.956 ( -3.510 1.919 -4.662) 6.143 10.108 ( -0.340 -3.921 4.743) 6.163 10.108 ( -0.340 3.921 4.743) 6.163 10.476 ( 5.604 -4.050 -1.105) 7.002 10.476 ( 5.604 4.050 -1.106) 7.002 11.060 ( -6.869 -4.208 -1.637) 8.220 11.060 ( -6.867 4.208 -1.637) 8.219 12.182 ( -2.589 -8.954 1.918) 9.517 12.182 ( -2.589 8.955 1.919) 9.517 12.602 ( 4.675 -3.528 0.276) 5.863 12.602 ( 4.674 3.528 0.277) 5.863 14.984 ( -17.301 -13.978 -0.191) 22.243 14.984 ( -17.301 13.978 -0.191) 22.243 15.381 ( -2.938 -10.296 1.535) 10.816 15.381 ( -2.938 10.296 1.535) 10.816 16.088 ( -2.337 -4.808 -1.545) 5.565 16.088 ( -2.337 4.808 -1.545) 5.565 16.596 ( -0.302 -11.030 8.638) 14.013 16.596 ( -0.302 11.030 8.639) 14.013 17.196 ( -0.208 -6.002 -9.524) 11.259 17.196 ( -0.208 6.002 -9.523) 11.259 18.725 ( 12.140 -28.665 1.527) 31.167 18.725 ( 12.140 28.665 1.527) 31.167 ======================= Grid point 163 (85/170) ======================= q-point: (-0.09 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -2.856 -10.111 -5.134) 11.694 1.781 ( -2.855 10.111 -5.134) 11.694 2.031 ( -0.447 -14.211 1.997) 14.357 2.031 ( -0.447 14.211 1.997) 14.357 2.682 ( 3.385 -7.283 -2.956) 8.558 2.682 ( 3.386 7.283 -2.957) 8.559 2.787 ( 1.073 -5.232 -5.177) 7.438 2.787 ( 1.073 5.232 -5.177) 7.438 2.976 ( 3.314 -10.012 8.500) 13.545 2.976 ( 3.314 10.011 8.499) 13.544 3.115 ( -0.619 -4.137 -5.006) 6.524 3.115 ( -0.619 4.137 -5.006) 6.524 3.687 ( -0.263 -3.704 7.564) 8.426 3.687 ( -0.263 3.704 7.564) 8.426 4.240 ( 0.774 -4.475 -1.275) 4.717 4.240 ( 0.774 4.475 -1.275) 4.717 4.306 ( 1.695 -2.844 2.453) 4.121 4.306 ( 1.695 2.844 2.453) 4.121 5.321 ( 4.358 -2.307 -2.076) 5.350 5.321 ( 4.358 2.307 -2.076) 5.350 5.984 ( -1.663 -3.919 -0.122) 4.259 5.984 ( -1.664 3.919 -0.121) 4.259 6.679 ( 6.179 -0.689 -1.368) 6.366 6.679 ( 6.180 0.689 -1.367) 6.366 7.201 ( 0.261 -3.011 -1.096) 3.215 7.201 ( 0.261 3.011 -1.096) 3.215 7.465 ( -0.227 -2.911 1.483) 3.275 7.465 ( -0.227 2.912 1.483) 3.275 7.567 ( -6.787 -3.736 0.566) 7.768 7.567 ( -6.786 3.736 0.566) 7.768 8.406 ( -4.341 -2.198 3.211) 5.830 8.406 ( -4.341 2.198 3.211) 5.830 8.804 ( -0.424 -5.293 -0.573) 5.340 8.804 ( -0.424 5.293 -0.573) 5.340 9.368 ( -3.531 -1.850 -0.818) 4.069 9.368 ( -3.531 1.850 -0.818) 4.069 9.859 ( -2.023 -2.607 -3.465) 4.785 9.859 ( -2.023 2.608 -3.465) 4.785 10.125 ( -1.403 -3.058 1.294) 3.605 10.125 ( -1.403 3.058 1.293) 3.605 10.574 ( 5.809 -2.187 1.922) 6.498 10.574 ( 5.810 2.188 1.922) 6.499 10.934 ( -5.576 -6.531 -2.064) 8.832 10.934 ( -5.575 6.531 -2.064) 8.831 12.171 ( -2.099 -12.608 1.822) 12.911 12.171 ( -2.100 12.608 1.821) 12.911 12.679 ( 3.518 -4.176 1.211) 5.593 12.679 ( 3.518 4.176 1.212) 5.593 14.740 ( -10.326 -15.949 -1.127) 19.033 14.740 ( -10.326 15.949 -1.127) 19.033 15.351 ( -3.391 -9.567 2.921) 10.562 15.351 ( -3.391 9.567 2.921) 10.562 16.033 ( 0.267 -5.599 -5.272) 7.695 16.033 ( 0.266 5.600 -5.272) 7.695 16.618 ( -3.292 -5.928 -1.666) 6.982 16.618 ( -3.292 5.928 -1.666) 6.982 17.189 ( 3.345 -6.896 5.046) 9.176 17.189 ( 3.344 6.896 5.046) 9.176 18.874 ( 6.030 -28.467 -1.763) 29.152 18.874 ( 6.030 28.467 -1.763) 29.152 ======================= Grid point 198 (86/170) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -20.451 0.000 21.271) 29.507 1.046 ( -4.033 0.000 24.341) 24.673 1.645 ( 5.200 0.000 20.535) 21.183 1.785 ( 15.084 0.000 -19.692) 24.805 2.159 ( 0.723 0.000 -12.533) 12.554 2.282 ( 7.803 0.000 0.522) 7.820 2.853 ( -2.006 0.000 6.230) 6.545 2.920 ( -3.486 0.000 5.877) 6.833 3.053 ( 2.907 0.000 -1.146) 3.125 3.295 ( -2.244 0.000 -9.892) 10.143 3.467 ( -1.627 0.000 4.461) 4.748 3.702 ( -1.336 0.000 -5.424) 5.586 3.808 ( -0.291 0.000 0.682) 0.742 3.918 ( 1.382 0.000 -0.884) 1.641 4.117 ( -3.929 0.000 3.831) 5.487 4.173 ( 0.072 0.000 2.121) 2.123 4.292 ( -2.807 0.000 7.684) 8.181 4.556 ( 1.649 0.000 -4.589) 4.876 5.523 ( -1.456 0.000 3.266) 3.576 5.777 ( 1.788 0.000 -7.341) 7.555 6.159 ( -3.290 0.000 -0.951) 3.425 6.325 ( 10.623 0.000 -7.676) 13.106 6.769 ( -0.649 0.000 4.929) 4.972 6.818 ( 1.833 0.000 -6.064) 6.335 6.906 ( -12.135 0.000 -7.407) 14.217 7.138 ( 4.955 0.000 -8.536) 9.870 7.593 ( 1.149 0.000 1.719) 2.067 7.637 ( 1.478 0.000 1.236) 1.927 7.864 ( 6.522 0.000 5.184) 8.331 7.948 ( -9.210 0.000 1.576) 9.344 8.596 ( 2.086 0.000 10.307) 10.516 8.804 ( 2.945 0.000 11.531) 11.901 8.850 ( 2.771 0.000 0.052) 2.771 8.994 ( 6.546 0.000 3.123) 7.253 9.135 ( -9.235 0.000 -3.485) 9.870 9.367 ( -3.009 0.000 -9.066) 9.552 9.497 ( 1.145 0.000 5.258) 5.381 9.602 ( 3.468 0.000 3.513) 4.936 9.798 ( -7.220 0.000 -1.393) 7.353 9.819 ( 1.363 0.000 -3.029) 3.322 10.583 ( 3.295 0.000 7.333) 8.039 10.984 ( 0.229 0.000 9.627) 9.629 11.140 ( -6.277 0.000 -13.125) 14.549 11.298 ( 4.959 0.000 -5.651) 7.519 11.362 ( 1.792 0.000 15.575) 15.678 12.045 ( 1.905 0.000 -14.422) 14.548 12.516 ( -11.146 0.000 5.469) 12.415 12.827 ( 9.671 0.000 -9.226) 13.366 14.031 ( -12.117 0.000 18.343) 21.984 14.930 ( 8.021 0.000 -20.796) 22.290 15.166 ( 4.616 0.000 14.511) 15.228 15.916 ( -6.154 0.000 -18.461) 19.460 16.057 ( -4.632 0.000 9.323) 10.411 16.105 ( 3.635 0.000 3.133) 4.799 16.299 ( 1.569 0.000 -5.575) 5.792 16.525 ( -0.413 0.000 -6.162) 6.176 16.623 ( 1.120 0.000 -0.223) 1.141 16.737 ( 1.102 0.000 -3.400) 3.574 18.847 ( -0.306 0.000 30.851) 30.853 19.942 ( -0.076 0.000 -19.837) 19.837 ======================= Grid point 199 (87/170) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -2.518 0.000 18.274) 18.446 1.320 ( 4.707 0.000 22.245) 22.738 1.806 ( 8.872 0.000 -11.534) 14.551 1.836 ( 15.296 0.000 -17.327) 23.113 2.105 ( -3.402 0.000 1.349) 3.659 2.329 ( 1.500 0.000 -6.258) 6.435 2.891 ( -3.311 0.000 4.544) 5.623 2.948 ( -2.472 0.000 12.307) 12.553 3.052 ( -0.962 0.000 -2.653) 2.822 3.128 ( -3.712 0.000 -7.680) 8.530 3.486 ( -3.131 0.000 6.779) 7.467 3.626 ( -1.274 0.000 -5.607) 5.750 3.810 ( -0.555 0.000 2.007) 2.082 3.866 ( -2.432 0.000 -4.635) 5.235 4.103 ( -3.447 0.000 5.160) 6.205 4.224 ( 2.030 0.000 2.681) 3.363 4.348 ( -0.353 0.000 6.909) 6.918 4.549 ( 3.596 0.000 -4.500) 5.760 5.455 ( -10.982 0.000 4.026) 11.697 5.665 ( -5.616 0.000 -6.945) 8.932 6.064 ( -5.965 0.000 -2.397) 6.429 6.318 ( 1.032 0.000 -7.180) 7.254 6.726 ( -1.941 0.000 -1.635) 2.538 6.827 ( -1.992 0.000 6.515) 6.813 6.917 ( 9.555 0.000 1.062) 9.614 7.103 ( 3.942 0.000 -7.624) 8.583 7.662 ( 2.585 0.000 -1.397) 2.938 7.685 ( 5.702 0.000 0.835) 5.763 7.835 ( -3.208 0.000 -1.909) 3.733 8.044 ( 6.919 0.000 4.965) 8.516 8.642 ( -7.428 0.000 3.953) 8.414 8.815 ( -2.348 0.000 -6.427) 6.843 8.990 ( -2.253 0.000 10.335) 10.578 8.992 ( -5.028 0.000 -5.036) 7.116 9.039 ( 4.647 0.000 4.084) 6.187 9.296 ( 4.478 0.000 -3.909) 5.944 9.590 ( -1.476 0.000 -2.337) 2.764 9.609 ( -6.062 0.000 5.904) 8.462 9.668 ( 2.585 0.000 -0.700) 2.678 9.907 ( 6.967 0.000 2.654) 7.455 10.738 ( -1.632 0.000 12.191) 12.300 10.821 ( -10.610 0.000 -15.211) 18.545 11.108 ( 5.507 0.000 7.849) 9.588 11.306 ( 3.631 0.000 -7.611) 8.433 11.543 ( -0.433 0.000 15.374) 15.380 11.874 ( -1.553 0.000 -17.140) 17.211 12.409 ( -8.900 0.000 5.422) 10.421 12.875 ( 6.507 0.000 -6.103) 8.921 14.152 ( -0.062 0.000 20.152) 20.153 14.869 ( 11.739 0.000 -18.515) 21.923 15.393 ( 1.681 0.000 14.985) 15.079 15.590 ( -6.805 0.000 -17.828) 19.083 16.077 ( -2.805 0.000 3.831) 4.748 16.213 ( 3.252 0.000 3.366) 4.680 16.286 ( -0.400 0.000 1.963) 2.004 16.448 ( 0.903 0.000 -8.283) 8.332 16.674 ( 5.313 0.000 2.946) 6.075 16.759 ( 6.628 0.000 -5.527) 8.630 19.140 ( -4.948 0.000 28.741) 29.164 19.650 ( -5.683 0.000 -23.366) 24.048 ======================= Grid point 200 (88/170) ======================= q-point: ( 0.18 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 5.268 0.000 11.880) 12.996 1.655 ( 9.124 0.000 13.315) 16.141 1.798 ( 12.343 0.000 -18.760) 22.456 1.872 ( 8.162 0.000 -9.387) 12.440 1.953 ( -11.421 0.000 -3.250) 11.874 2.262 ( 1.871 0.000 -7.201) 7.441 2.844 ( -6.456 0.000 3.615) 7.399 2.976 ( -5.707 0.000 -0.883) 5.775 3.002 ( -3.097 0.000 -7.547) 8.158 3.075 ( -0.683 0.000 11.127) 11.148 3.495 ( -6.630 0.000 -7.449) 9.972 3.528 ( -2.351 0.000 8.970) 9.273 3.798 ( 0.738 0.000 -3.167) 3.252 3.853 ( 1.930 0.000 3.060) 3.618 4.130 ( -0.274 0.000 5.380) 5.387 4.274 ( 2.265 0.000 -0.626) 2.350 4.430 ( 1.336 0.000 6.182) 6.325 4.568 ( 4.845 0.000 -4.890) 6.884 5.284 ( -14.945 0.000 5.077) 15.784 5.447 ( -10.561 0.000 -7.318) 12.849 5.943 ( -5.016 0.000 -1.601) 5.266 6.276 ( 1.215 0.000 -2.734) 2.992 6.752 ( 2.604 0.000 3.171) 4.104 6.843 ( -4.383 0.000 4.763) 6.473 6.936 ( 0.521 0.000 -9.198) 9.212 7.226 ( 5.987 0.000 8.260) 10.202 7.705 ( 0.820 0.000 -2.128) 2.281 7.709 ( 3.884 0.000 0.909) 3.989 7.870 ( 9.817 0.000 -5.751) 11.377 8.154 ( 0.283 0.000 2.264) 2.282 8.499 ( -12.724 0.000 3.755) 13.267 8.640 ( -8.529 0.000 -7.996) 11.691 8.824 ( -5.108 0.000 -6.713) 8.435 9.028 ( 5.290 0.000 -4.224) 6.770 9.231 ( 3.417 0.000 12.596) 13.051 9.377 ( 5.910 0.000 0.880) 5.975 9.477 ( -5.207 0.000 -2.570) 5.807 9.617 ( 6.009 0.000 1.402) 6.170 9.803 ( 4.715 0.000 4.304) 6.384 10.036 ( 5.389 0.000 0.037) 5.389 10.507 ( -8.220 0.000 -9.872) 12.846 10.745 ( -8.580 0.000 6.656) 10.859 11.249 ( 0.412 0.000 -8.138) 8.149 11.305 ( 3.863 0.000 7.155) 8.131 11.621 ( -4.070 0.000 -18.918) 19.351 11.737 ( 4.095 0.000 16.349) 16.854 12.345 ( -6.394 0.000 5.799) 8.632 12.903 ( 3.185 0.000 -3.694) 4.878 14.444 ( 7.723 0.000 19.120) 20.621 14.904 ( 12.724 0.000 -11.773) 17.335 15.328 ( -1.175 0.000 -15.815) 15.859 15.537 ( -3.482 0.000 13.768) 14.201 16.052 ( -1.959 0.000 -0.319) 1.985 16.218 ( -5.051 0.000 0.119) 5.053 16.320 ( -2.757 0.000 7.479) 7.971 16.376 ( 1.485 0.000 -8.132) 8.266 16.819 ( 10.052 0.000 -8.414) 13.109 16.926 ( 17.353 0.000 7.830) 19.038 19.253 ( -9.189 0.000 -24.916) 26.556 19.315 ( -10.433 0.000 24.899) 26.997 ======================= Grid point 201 (89/170) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 1.657 0.000 8.329) 8.493 1.724 ( 4.566 0.000 -13.464) 14.217 1.732 ( -1.816 0.000 -5.019) 5.337 1.872 ( 10.969 0.000 -10.712) 15.332 2.066 ( 8.577 0.000 8.803) 12.290 2.264 ( 2.445 0.000 4.298) 4.944 2.773 ( -6.883 0.000 3.161) 7.574 2.833 ( -9.505 0.000 -0.360) 9.511 2.864 ( -3.300 0.000 -7.479) 8.175 3.134 ( -3.910 0.000 6.015) 7.174 3.252 ( -12.149 0.000 -7.072) 14.057 3.588 ( -3.254 0.000 8.362) 8.973 3.810 ( 5.526 0.000 -5.402) 7.728 3.911 ( 2.363 0.000 -0.018) 2.363 4.204 ( 3.257 0.000 2.208) 3.935 4.280 ( 1.552 0.000 -4.147) 4.428 4.522 ( 1.891 0.000 4.750) 5.112 4.592 ( 5.300 0.000 -6.071) 8.059 5.110 ( -13.032 0.000 5.868) 14.293 5.177 ( -11.432 0.000 -7.458) 13.649 5.880 ( -2.988 0.000 2.555) 3.932 6.289 ( 1.282 0.000 0.454) 1.360 6.771 ( -5.647 0.000 -0.953) 5.727 6.841 ( 0.517 0.000 -7.479) 7.497 6.852 ( 1.252 0.000 5.969) 6.099 7.309 ( -5.889 0.000 5.061) 7.765 7.794 ( 10.483 0.000 1.172) 10.549 7.818 ( 5.334 0.000 5.116) 7.391 7.932 ( 6.668 0.000 -8.068) 10.466 8.120 ( -4.641 0.000 1.232) 4.801 8.316 ( -13.285 0.000 1.271) 13.346 8.401 ( -10.858 0.000 -4.061) 11.593 8.699 ( -0.641 0.000 -6.773) 6.803 9.113 ( 10.025 0.000 -1.867) 10.197 9.406 ( 2.555 0.000 7.821) 8.228 9.414 ( 1.177 0.000 -2.781) 3.020 9.484 ( 4.296 0.000 2.378) 4.910 9.784 ( 10.951 0.000 2.399) 11.210 9.902 ( 2.970 0.000 2.392) 3.813 10.008 ( -1.289 0.000 -10.220) 10.301 10.434 ( 0.448 0.000 6.738) 6.752 10.657 ( -8.459 0.000 3.943) 9.333 11.140 ( -3.925 0.000 -7.709) 8.651 11.350 ( -4.246 0.000 3.355) 5.412 11.359 ( -0.077 0.000 -17.973) 17.973 12.008 ( 6.419 0.000 12.443) 14.001 12.327 ( -4.571 0.000 7.097) 8.442 12.887 ( -0.063 0.000 -3.794) 3.794 14.798 ( 10.554 0.000 15.998) 19.166 14.960 ( 4.380 0.000 -6.521) 7.855 15.251 ( 10.861 0.000 -10.390) 15.030 15.604 ( -6.276 0.000 13.502) 14.890 16.028 ( -0.329 0.000 0.327) 0.463 16.083 ( -10.164 0.000 -0.710) 10.189 16.317 ( 2.333 0.000 -7.804) 8.146 16.340 ( -5.309 0.000 7.618) 9.285 16.892 ( 11.991 0.000 -11.710) 16.760 17.347 ( 20.497 0.000 8.401) 22.152 18.821 ( -9.004 0.000 -23.636) 25.293 19.349 ( -15.870 0.000 19.858) 25.420 ======================= Grid point 202 (90/170) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 7.848 0.000 11.971) 14.314 1.674 ( 5.585 0.000 -8.487) 10.160 1.685 ( -3.197 0.000 2.177) 3.867 1.974 ( 15.096 0.000 -9.860) 18.030 2.116 ( -3.249 0.000 -1.025) 3.407 2.486 ( 5.209 0.000 10.331) 11.570 2.664 ( -10.814 0.000 -1.423) 10.908 2.706 ( -2.213 0.000 2.838) 3.599 2.774 ( 1.159 0.000 -3.042) 3.256 2.919 ( -17.800 0.000 -5.153) 18.530 3.149 ( -2.215 0.000 5.525) 5.952 3.584 ( -5.372 0.000 3.577) 6.454 3.846 ( 8.871 0.000 -9.184) 12.768 3.913 ( 0.061 0.000 -4.127) 4.128 4.221 ( -0.812 0.000 -8.027) 8.068 4.254 ( 1.365 0.000 -1.360) 1.927 4.579 ( 0.257 0.000 1.368) 1.391 4.604 ( 4.772 0.000 -6.593) 8.139 4.939 ( -7.289 0.000 -5.413) 9.079 4.990 ( -9.049 0.000 4.807) 10.246 5.910 ( -0.356 0.000 8.078) 8.086 6.312 ( -0.230 0.000 1.754) 1.769 6.648 ( -4.697 0.000 -4.082) 6.223 6.804 ( 1.927 0.000 -3.203) 3.738 6.919 ( -0.771 0.000 4.760) 4.822 7.204 ( -5.831 0.000 -3.761) 6.939 7.894 ( 3.301 0.000 -6.351) 7.158 7.961 ( 2.352 0.000 4.055) 4.688 8.008 ( 3.893 0.000 3.541) 5.263 8.080 ( -2.778 0.000 2.922) 4.032 8.120 ( -9.526 0.000 2.237) 9.785 8.258 ( -0.789 0.000 1.431) 1.634 8.652 ( 2.342 0.000 -4.683) 5.236 9.278 ( 6.795 0.000 2.853) 7.370 9.435 ( 4.151 0.000 -2.551) 4.872 9.460 ( -0.401 0.000 -0.496) 0.638 9.565 ( 2.362 0.000 2.146) 3.191 9.858 ( -2.991 0.000 -8.537) 9.046 9.966 ( 2.110 0.000 2.223) 3.065 10.016 ( 12.523 0.000 3.559) 13.019 10.510 ( -2.131 0.000 4.423) 4.909 10.570 ( -6.333 0.000 2.468) 6.797 10.935 ( -5.901 0.000 -9.520) 11.200 11.277 ( -6.518 0.000 0.474) 6.535 11.307 ( 9.576 0.000 -6.250) 11.435 12.150 ( -1.304 0.000 3.238) 3.491 12.361 ( -1.659 0.000 8.568) 8.727 12.827 ( -1.230 0.000 -4.033) 4.217 14.945 ( 2.754 0.000 -3.742) 4.646 15.114 ( 8.581 0.000 10.619) 13.653 15.387 ( 12.113 0.000 -3.080) 12.498 15.635 ( -7.453 0.000 11.323) 13.556 15.895 ( -12.417 0.000 2.459) 12.659 16.058 ( 2.183 0.000 2.029) 2.980 16.288 ( 4.070 0.000 -6.479) 7.652 16.326 ( -5.859 0.000 7.442) 9.472 16.948 ( 13.543 0.000 -15.616) 20.671 17.675 ( 8.519 0.000 -0.723) 8.550 18.521 ( 3.187 0.000 -13.518) 13.889 19.238 ( -20.523 0.000 14.266) 24.995 ======================= Grid point 203 (91/170) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 1.553 0.000 2.651) 3.073 1.708 ( -0.608 0.000 4.036) 4.082 1.842 ( 11.295 0.000 15.178) 18.919 2.043 ( 3.690 0.000 -8.315) 9.097 2.145 ( 16.547 0.000 -6.441) 17.757 2.445 ( -12.812 0.000 -5.312) 13.870 2.456 ( -11.174 0.000 -1.305) 11.250 2.593 ( -12.561 0.000 1.554) 12.657 2.817 ( 4.671 0.000 0.432) 4.691 2.820 ( 1.886 0.000 5.631) 5.938 3.257 ( 5.926 0.000 9.784) 11.439 3.510 ( -5.307 0.000 0.292) 5.315 3.806 ( -3.821 0.000 -9.113) 9.882 3.878 ( 7.713 0.000 -13.195) 15.284 4.094 ( -0.829 0.000 -7.969) 8.012 4.197 ( -5.572 0.000 -2.974) 6.316 4.534 ( -5.031 0.000 -1.552) 5.265 4.609 ( 4.455 0.000 -5.687) 7.224 4.874 ( 3.734 0.000 -1.005) 3.867 4.908 ( -6.126 0.000 2.452) 6.598 6.046 ( 2.287 0.000 12.735) 12.939 6.320 ( -1.049 0.000 2.074) 2.324 6.552 ( -0.310 0.000 -4.987) 4.997 6.785 ( -1.849 0.000 -3.889) 4.306 6.931 ( -3.399 0.000 3.515) 4.889 7.087 ( 0.777 0.000 -7.016) 7.059 7.896 ( 4.625 0.000 -4.075) 6.164 7.940 ( -5.067 0.000 0.316) 5.077 7.977 ( -3.074 0.000 -2.040) 3.690 8.007 ( -1.297 0.000 -0.169) 1.308 8.205 ( 0.032 0.000 11.732) 11.732 8.431 ( 8.236 0.000 11.117) 13.835 8.652 ( 3.034 0.000 -4.342) 5.297 9.285 ( -5.569 0.000 -5.527) 7.846 9.440 ( 0.094 0.000 -2.522) 2.524 9.468 ( 2.705 0.000 -2.475) 3.667 9.616 ( 1.381 0.000 2.311) 2.692 9.752 ( -1.394 0.000 -2.167) 2.577 10.032 ( 1.569 0.000 4.488) 4.755 10.236 ( 6.747 0.000 2.637) 7.244 10.431 ( -4.297 0.000 -3.468) 5.522 10.498 ( -4.418 0.000 -0.186) 4.422 10.850 ( 3.016 0.000 -0.843) 3.132 11.162 ( -5.927 0.000 -2.133) 6.299 11.485 ( 14.006 0.000 1.639) 14.101 12.020 ( -11.974 0.000 -5.633) 13.233 12.459 ( 1.055 0.000 9.022) 9.084 12.774 ( -0.253 0.000 -3.558) 3.567 14.991 ( 4.806 0.000 0.861) 4.882 15.256 ( -2.516 0.000 2.019) 3.226 15.537 ( 7.745 0.000 0.258) 7.750 15.577 ( -9.277 0.000 5.316) 10.692 15.817 ( -4.862 0.000 10.468) 11.541 16.102 ( 0.106 0.000 -0.010) 0.106 16.310 ( 5.061 0.000 -3.199) 5.988 16.362 ( -1.164 0.000 11.170) 11.231 17.000 ( 15.499 0.000 -17.156) 23.121 17.530 ( -10.139 0.000 -15.263) 18.324 18.702 ( 21.444 0.000 1.809) 21.520 18.999 ( -23.928 0.000 8.895) 25.527 ======================= Grid point 204 (92/170) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -6.052 0.000 3.496) 6.990 1.708 ( -7.856 0.000 5.477) 9.576 2.066 ( -21.147 0.000 -5.152) 21.765 2.076 ( 12.187 0.000 -7.234) 14.172 2.123 ( 14.294 0.000 -6.994) 15.913 2.342 ( 7.570 0.000 1.985) 7.826 2.432 ( 7.665 0.000 9.546) 12.242 2.538 ( -2.291 0.000 4.659) 5.192 2.832 ( -3.369 0.000 0.567) 3.416 2.903 ( 4.395 0.000 0.467) 4.420 3.436 ( -6.135 0.000 1.926) 6.431 3.499 ( 7.372 0.000 7.869) 10.783 3.636 ( -1.039 0.000 -9.250) 9.308 3.747 ( 1.985 0.000 -16.641) 16.759 4.025 ( -9.477 0.000 -3.122) 9.978 4.110 ( 5.389 0.000 0.231) 5.394 4.432 ( -6.160 0.000 0.592) 6.188 4.625 ( 4.321 0.000 -4.842) 6.490 4.845 ( -3.283 0.000 0.755) 3.369 4.982 ( 9.473 0.000 -0.961) 9.522 6.240 ( 2.396 0.000 12.772) 12.994 6.340 ( 0.989 0.000 2.721) 2.895 6.550 ( 5.633 0.000 -1.955) 5.962 6.636 ( -4.592 0.000 -10.912) 11.839 6.886 ( -5.843 0.000 2.334) 6.292 7.083 ( 4.134 0.000 -3.217) 5.238 7.847 ( -5.508 0.000 -0.289) 5.516 7.924 ( 2.589 0.000 -1.808) 3.158 7.962 ( 2.369 0.000 -0.219) 2.380 8.046 ( 6.967 0.000 -2.294) 7.335 8.310 ( -2.444 0.000 10.421) 10.703 8.634 ( 1.702 0.000 -6.577) 6.794 8.711 ( 6.934 0.000 15.896) 17.342 9.034 ( -10.227 0.000 -13.506) 16.941 9.384 ( -3.940 0.000 -0.599) 3.985 9.460 ( -0.094 0.000 -2.555) 2.557 9.674 ( 1.917 0.000 3.450) 3.947 9.739 ( 0.224 0.000 -1.093) 1.115 10.108 ( -1.672 0.000 8.075) 8.246 10.153 ( -9.999 0.000 -1.879) 10.174 10.410 ( -2.986 0.000 -4.425) 5.338 10.511 ( 10.615 0.000 -0.088) 10.615 10.966 ( 7.320 0.000 4.402) 8.542 11.044 ( -3.694 0.000 -4.470) 5.799 11.682 ( -17.549 0.000 -8.398) 19.455 11.768 ( 14.316 0.000 5.320) 15.272 12.577 ( 1.676 0.000 7.363) 7.551 12.727 ( -0.043 0.000 -4.569) 4.570 15.087 ( -14.408 0.000 -1.312) 14.468 15.110 ( 4.980 0.000 4.365) 6.623 15.495 ( -9.400 0.000 4.938) 10.618 15.653 ( 5.785 0.000 1.192) 5.906 15.917 ( 2.965 0.000 7.854) 8.395 16.072 ( -1.951 0.000 -1.025) 2.204 16.369 ( 3.821 0.000 -0.285) 3.832 16.494 ( 2.106 0.000 7.284) 7.582 17.095 ( 16.043 0.000 -11.186) 19.558 17.150 ( -12.356 0.000 -15.833) 20.084 18.661 ( -25.954 0.000 4.585) 26.356 19.123 ( 24.130 0.000 3.341) 24.360 ======================= Grid point 205 (93/170) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -21.073 0.000 -3.181) 21.311 1.589 ( -16.082 0.000 0.797) 16.102 1.754 ( -1.453 0.000 -3.598) 3.880 2.224 ( 5.280 0.000 -4.564) 6.979 2.244 ( 7.537 0.000 -8.368) 11.261 2.457 ( 3.807 0.000 7.202) 8.146 2.581 ( 0.996 0.000 3.585) 3.721 2.717 ( 13.870 0.000 6.307) 15.237 2.770 ( -2.519 0.000 -0.194) 2.526 2.939 ( 0.491 0.000 -2.661) 2.706 3.329 ( -3.905 0.000 -1.683) 4.253 3.509 ( 0.683 0.000 -7.057) 7.090 3.628 ( 3.490 0.000 -1.765) 3.911 3.813 ( 9.540 0.000 2.821) 9.948 3.904 ( -2.118 0.000 3.174) 3.815 4.191 ( 0.881 0.000 2.605) 2.750 4.347 ( -6.593 0.000 3.268) 7.358 4.632 ( 2.077 0.000 -3.271) 3.874 4.845 ( 3.776 0.000 -0.234) 3.783 5.150 ( 13.250 0.000 -2.468) 13.478 6.358 ( 0.560 0.000 3.662) 3.705 6.407 ( 0.904 0.000 -5.625) 5.698 6.454 ( 1.654 0.000 -3.585) 3.948 6.708 ( 7.687 0.000 5.061) 9.203 6.813 ( -4.516 0.000 4.905) 6.667 7.115 ( 3.540 0.000 -3.042) 4.668 7.771 ( -3.188 0.000 0.171) 3.193 7.964 ( 3.102 0.000 0.892) 3.228 8.032 ( 4.538 0.000 0.947) 4.636 8.121 ( 5.676 0.000 -4.432) 7.201 8.364 ( -3.369 0.000 8.201) 8.865 8.552 ( -0.907 0.000 -9.098) 9.143 8.687 ( -11.736 0.000 -14.680) 18.795 8.993 ( 3.953 0.000 15.828) 16.314 9.307 ( -5.933 0.000 1.533) 6.127 9.416 ( -1.847 0.000 -2.065) 2.771 9.709 ( -0.846 0.000 -3.551) 3.650 9.748 ( 2.445 0.000 2.622) 3.585 9.999 ( -7.108 0.000 0.622) 7.136 10.095 ( -9.570 0.000 3.671) 10.250 10.351 ( 0.754 0.000 0.561) 0.940 10.682 ( 11.213 0.000 -1.839) 11.362 10.950 ( -0.362 0.000 -5.772) 5.783 11.157 ( 8.470 0.000 5.347) 10.017 11.313 ( -16.392 0.000 -5.703) 17.356 12.043 ( 10.426 0.000 6.146) 12.102 12.664 ( 0.378 0.000 4.932) 4.947 12.676 ( 1.278 0.000 -5.782) 5.922 14.831 ( -16.687 0.000 2.767) 16.914 15.221 ( 2.314 0.000 3.274) 4.010 15.344 ( -13.131 0.000 0.847) 13.158 15.772 ( 6.585 0.000 2.525) 7.052 16.036 ( -1.500 0.000 -0.190) 1.512 16.044 ( 3.419 0.000 3.476) 4.876 16.411 ( 1.026 0.000 0.493) 1.138 16.554 ( 4.717 0.000 -6.530) 8.056 16.832 ( -6.724 0.000 -10.440) 12.419 17.287 ( 12.616 0.000 2.234) 12.813 18.264 ( -26.472 0.000 2.730) 26.612 19.536 ( 22.636 0.000 0.701) 22.647 ======================= Grid point 206 (94/170) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -22.014 0.000 3.959) 22.367 1.272 ( -23.130 0.000 7.148) 24.210 1.822 ( 12.340 0.000 -9.541) 15.599 2.025 ( -23.296 0.000 2.905) 23.477 2.168 ( 0.606 0.000 -13.387) 13.401 2.620 ( 0.168 0.000 2.572) 2.577 2.646 ( 6.577 0.000 2.264) 6.956 2.792 ( 3.056 0.000 1.963) 3.632 2.847 ( 0.181 0.000 -7.760) 7.762 3.035 ( 13.960 0.000 5.520) 15.012 3.314 ( 3.795 0.000 -2.445) 4.514 3.524 ( 3.878 0.000 2.557) 4.645 3.653 ( 2.735 0.000 -0.275) 2.749 3.978 ( 7.001 0.000 1.486) 7.157 4.008 ( 3.582 0.000 7.415) 8.235 4.166 ( -5.798 0.000 0.466) 5.816 4.292 ( -6.208 0.000 5.832) 8.518 4.634 ( 1.213 0.000 -1.342) 1.809 4.972 ( 11.008 0.000 0.909) 11.046 5.364 ( 16.906 0.000 -4.064) 17.388 6.252 ( 0.217 0.000 -12.781) 12.782 6.354 ( -2.109 0.000 -1.416) 2.540 6.625 ( 10.854 0.000 4.941) 11.926 6.707 ( -2.197 0.000 -0.200) 2.206 7.031 ( 8.083 0.000 14.991) 17.031 7.119 ( 2.274 0.000 -5.207) 5.682 7.747 ( -0.615 0.000 0.534) 0.814 8.015 ( -1.062 0.000 0.258) 1.093 8.045 ( -7.698 0.000 -1.516) 7.846 8.155 ( 5.555 0.000 -1.252) 5.694 8.334 ( -4.283 0.000 -6.357) 7.665 8.413 ( -4.193 0.000 -7.232) 8.359 8.458 ( -0.284 0.000 3.127) 3.140 9.078 ( -9.384 0.000 3.537) 10.028 9.242 ( -4.435 0.000 3.691) 5.770 9.395 ( 0.841 0.000 1.891) 2.069 9.634 ( -2.943 0.000 -4.374) 5.272 9.789 ( 0.714 0.000 -1.431) 1.599 9.931 ( -2.917 0.000 1.301) 3.194 9.961 ( -5.047 0.000 -1.253) 5.201 10.443 ( 1.324 0.000 12.134) 12.206 10.842 ( 12.299 0.000 -3.849) 12.887 10.915 ( 2.185 0.000 -3.903) 4.473 11.029 ( -12.507 0.000 -2.595) 12.773 11.340 ( 7.051 0.000 3.626) 7.929 12.220 ( 4.302 0.000 2.725) 5.092 12.653 ( 4.709 0.000 -6.635) 8.136 12.700 ( -1.809 0.000 3.929) 4.325 14.611 ( -18.442 0.000 8.981) 20.512 15.099 ( -14.031 0.000 -2.238) 14.208 15.243 ( 0.249 0.000 -3.076) 3.086 15.919 ( 3.574 0.000 6.629) 7.531 16.024 ( 1.786 0.000 -0.860) 1.982 16.075 ( -0.611 0.000 -1.257) 1.397 16.449 ( 2.359 0.000 2.933) 3.763 16.522 ( 7.579 0.000 -16.518) 18.174 16.706 ( 0.184 0.000 -4.857) 4.860 17.472 ( -0.334 0.000 1.844) 1.874 17.933 ( -16.923 0.000 12.819) 21.230 19.863 ( 18.819 0.000 -3.807) 19.200 ======================= Grid point 207 (95/170) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -13.478 0.000 23.661) 27.230 1.029 ( -21.067 0.000 15.212) 25.985 1.632 ( -32.693 0.000 12.426) 34.974 1.853 ( 7.428 0.000 -14.850) 16.604 2.073 ( 6.932 0.000 -11.650) 13.556 2.567 ( -3.676 0.000 -13.407) 13.902 2.683 ( 2.932 0.000 4.376) 5.267 2.866 ( 1.299 0.000 3.874) 4.086 2.895 ( 6.711 0.000 1.011) 6.787 3.281 ( 8.725 0.000 2.872) 9.185 3.370 ( 6.388 0.000 -3.031) 7.071 3.654 ( 4.643 0.000 6.455) 7.951 3.730 ( 4.929 0.000 1.949) 5.300 4.005 ( -3.614 0.000 -6.419) 7.367 4.111 ( 0.464 0.000 4.164) 4.190 4.114 ( 0.548 0.000 4.637) 4.670 4.272 ( -5.562 0.000 7.466) 9.310 4.627 ( 0.267 0.000 -2.400) 2.415 5.202 ( 13.203 0.000 2.722) 13.481 5.597 ( 17.269 0.000 -5.992) 18.279 6.161 ( 5.016 0.000 -10.574) 11.703 6.285 ( -3.226 0.000 -1.856) 3.722 6.695 ( 0.306 0.000 0.494) 0.580 6.877 ( 13.753 0.000 2.061) 13.907 7.067 ( 0.158 0.000 -7.859) 7.861 7.314 ( 5.971 0.000 13.513) 14.774 7.693 ( -14.335 0.000 -5.837) 15.478 7.780 ( -4.302 0.000 -3.430) 5.502 7.883 ( -9.005 0.000 -6.279) 10.978 8.211 ( -3.571 0.000 -4.232) 5.537 8.302 ( -1.371 0.000 6.877) 7.012 8.397 ( 4.696 0.000 15.484) 16.181 8.554 ( 5.144 0.000 2.735) 5.826 8.883 ( -7.775 0.000 -5.537) 9.545 9.275 ( 2.182 0.000 5.976) 6.362 9.438 ( 0.272 0.000 2.642) 2.656 9.512 ( -5.739 0.000 -4.587) 7.347 9.716 ( -4.229 0.000 -6.030) 7.365 9.909 ( -1.080 0.000 -0.353) 1.136 9.916 ( -0.594 0.000 -0.312) 0.671 10.629 ( 3.325 0.000 5.087) 6.077 10.766 ( -13.260 0.000 3.539) 13.724 10.994 ( 3.466 0.000 4.306) 5.527 11.002 ( 13.399 0.000 -5.450) 14.466 11.447 ( 2.406 0.000 0.478) 2.453 12.240 ( 0.094 0.000 -4.644) 4.645 12.691 ( 9.282 0.000 -7.232) 11.767 12.694 ( -5.155 0.000 4.890) 7.106 14.391 ( -23.576 0.000 12.619) 26.741 14.917 ( -5.666 0.000 1.917) 5.982 15.172 ( 1.170 0.000 -11.057) 11.118 15.976 ( -4.032 0.000 7.420) 8.445 16.046 ( -0.501 0.000 -0.901) 1.031 16.115 ( 7.015 0.000 -0.209) 7.019 16.447 ( 8.357 0.000 -20.205) 21.865 16.540 ( 3.598 0.000 3.092) 4.744 16.681 ( 1.829 0.000 -3.926) 4.331 17.211 ( -19.365 0.000 -6.640) 20.472 18.104 ( 2.059 0.000 27.620) 27.697 20.056 ( 13.211 0.000 -9.289) 16.150 ======================= Grid point 208 (96/170) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -14.675 0.000 22.068) 26.502 1.034 ( -16.125 0.000 22.803) 27.928 1.364 ( -16.812 0.000 28.509) 33.097 1.794 ( 8.876 0.000 -17.200) 19.355 2.134 ( 10.860 0.000 -4.731) 11.845 2.343 ( -1.997 0.000 -16.769) 16.887 2.789 ( 2.111 0.000 5.573) 5.960 2.910 ( -2.041 0.000 4.978) 5.380 2.997 ( 4.476 0.000 0.054) 4.477 3.371 ( 3.011 0.000 -3.844) 4.883 3.430 ( 2.723 0.000 0.017) 2.723 3.769 ( 1.682 0.000 -0.502) 1.755 3.798 ( 1.180 0.000 -0.147) 1.189 3.883 ( -1.754 0.000 -0.706) 1.891 4.134 ( -2.476 0.000 3.024) 3.908 4.158 ( 0.643 0.000 1.270) 1.423 4.269 ( -5.036 0.000 8.098) 9.536 4.592 ( 0.192 0.000 -4.051) 4.056 5.424 ( 8.599 0.000 3.206) 9.177 5.760 ( 10.680 0.000 -7.331) 12.954 6.197 ( 12.096 0.000 -8.016) 14.511 6.217 ( -2.758 0.000 -1.360) 3.076 6.723 ( 0.732 0.000 2.697) 2.795 6.936 ( -0.963 0.000 -11.355) 11.395 7.086 ( 9.735 0.000 -3.108) 10.219 7.267 ( -17.291 0.000 -10.586) 20.274 7.543 ( 1.645 0.000 10.943) 11.066 7.663 ( -8.796 0.000 -2.790) 9.227 7.767 ( 1.884 0.000 -0.402) 1.926 8.088 ( -9.754 0.000 2.377) 10.039 8.418 ( 1.602 0.000 12.904) 13.003 8.666 ( 3.702 0.000 4.657) 5.949 8.691 ( 4.000 0.000 16.660) 17.134 8.841 ( 9.886 0.000 -4.454) 10.843 9.331 ( -7.944 0.000 -3.859) 8.832 9.441 ( 6.357 0.000 5.686) 8.529 9.458 ( -0.453 0.000 1.153) 1.239 9.549 ( -5.493 0.000 -7.632) 9.403 9.872 ( -1.376 0.000 -2.993) 3.295 9.898 ( -3.220 0.000 -0.365) 3.240 10.511 ( 0.596 0.000 -1.857) 1.951 10.848 ( -2.240 0.000 16.204) 16.358 11.151 ( 12.530 0.000 -7.030) 14.367 11.152 ( 3.821 0.000 12.283) 12.864 11.407 ( -4.892 0.000 -4.336) 6.537 12.156 ( 1.133 0.000 -10.768) 10.827 12.631 ( -9.451 0.000 5.317) 10.844 12.767 ( 10.525 0.000 -9.893) 14.445 14.144 ( -22.638 0.000 14.019) 26.628 14.963 ( 2.002 0.000 10.104) 10.300 15.050 ( 4.137 0.000 -17.821) 18.295 16.001 ( -2.687 0.000 6.932) 7.434 16.045 ( 0.769 0.000 0.952) 1.223 16.154 ( -0.415 0.000 -6.286) 6.300 16.355 ( 5.509 0.000 -15.469) 16.421 16.593 ( -1.828 0.000 1.606) 2.433 16.625 ( 1.222 0.000 -7.994) 8.086 16.861 ( -12.557 0.000 -4.430) 13.316 18.479 ( 2.595 0.000 30.716) 30.826 20.085 ( 6.576 0.000 -14.911) 16.297 ======================= Grid point 209 (97/170) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -8.655 5.706 17.628) 20.450 1.276 ( -3.056 11.457 18.991) 22.389 1.659 ( 2.921 2.034 -6.661) 7.553 1.891 ( 8.132 9.391 -1.318) 12.492 2.186 ( 2.122 5.729 0.779) 6.158 2.409 ( 8.004 7.317 -3.000) 11.252 2.824 ( -1.908 -3.339 4.292) 5.762 2.930 ( -4.641 0.181 5.485) 7.187 3.046 ( 3.005 -1.466 -2.460) 4.151 3.222 ( -2.181 -5.960 -9.399) 11.341 3.435 ( -0.711 -3.039 4.915) 5.823 3.698 ( -2.404 -2.348 -4.710) 5.786 3.841 ( 0.360 3.504 0.263) 3.532 3.928 ( 1.665 1.068 0.648) 2.081 4.096 ( -2.801 -1.949 4.050) 5.296 4.170 ( -2.487 -0.147 1.721) 3.028 4.303 ( -0.928 0.798 5.913) 6.039 4.510 ( 0.929 -4.730 -4.244) 6.422 5.492 ( -1.010 -2.981 1.993) 3.726 5.711 ( 1.510 -5.990 -6.810) 9.194 6.144 ( -2.569 -1.983 -0.659) 3.312 6.258 ( 5.701 -5.640 -4.691) 9.291 6.694 ( 7.402 -3.707 -2.487) 8.644 6.796 ( -8.905 -5.238 -6.038) 11.966 7.004 ( -6.470 8.448 -1.967) 10.821 7.205 ( 5.015 4.854 -6.627) 9.624 7.550 ( 2.098 -3.469 2.677) 4.859 7.618 ( 1.056 -2.762 -0.291) 2.971 7.821 ( 3.862 -4.381 4.612) 7.442 7.901 ( -6.497 -4.108 1.369) 7.808 8.592 ( 1.309 -0.644 8.868) 8.988 8.730 ( 2.805 -4.196 10.897) 12.009 8.840 ( 3.251 -0.680 1.132) 3.509 8.999 ( 4.372 -0.589 4.507) 6.307 9.162 ( -6.216 2.296 -4.443) 7.978 9.332 ( -3.652 -3.460 -10.060) 11.248 9.498 ( 3.447 3.557 5.886) 7.693 9.729 ( 4.906 4.314 5.136) 8.310 9.739 ( -5.263 3.431 -4.050) 7.475 9.959 ( -3.436 7.597 -3.220) 8.938 10.521 ( 1.308 -2.523 7.656) 8.167 10.954 ( 2.097 -3.436 6.207) 7.398 11.091 ( -6.779 -4.744 -8.358) 11.761 11.268 ( 4.944 -3.932 1.717) 6.547 11.407 ( 1.562 5.757 7.131) 9.296 12.086 ( -0.081 3.255 -15.021) 15.370 12.558 ( -8.492 3.581 5.931) 10.960 12.838 ( 7.765 0.873 -7.112) 10.566 14.070 ( -10.541 3.918 17.341) 20.668 14.900 ( 6.992 -2.497 -16.886) 18.446 15.191 ( 4.263 2.272 11.004) 12.017 15.876 ( -5.991 -7.091 -5.168) 10.624 15.949 ( -0.501 -1.324 -6.306) 6.463 16.181 ( 1.032 -1.260 -2.359) 2.867 16.273 ( -2.068 -1.669 1.378) 2.993 16.568 ( 5.112 0.131 -8.583) 9.991 16.776 ( 1.035 12.909 1.107) 12.998 16.854 ( -2.123 13.549 -2.242) 13.896 18.783 ( -0.141 -6.049 29.820) 30.427 19.844 ( -0.144 -9.192 -19.224) 21.309 ======================= Grid point 210 (98/170) ======================= q-point: ( 0.09 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 3.692 8.294 14.701) 17.278 1.467 ( 1.646 11.154 17.009) 20.406 1.636 ( 10.747 -6.326 -16.218) 20.458 1.976 ( 9.359 5.687 -10.999) 15.522 2.195 ( -5.616 7.895 1.426) 9.793 2.477 ( 3.416 10.870 -5.164) 12.510 2.830 ( -3.850 -6.002 4.821) 8.607 2.923 ( -4.425 -1.755 9.224) 10.379 3.039 ( 0.859 -5.231 -5.665) 7.759 3.093 ( -2.698 -0.047 -2.849) 3.923 3.479 ( -2.408 -1.104 7.453) 7.910 3.598 ( -2.570 -3.480 -5.385) 6.908 3.834 ( -2.188 1.788 1.257) 3.093 3.895 ( -2.257 3.076 -3.176) 4.964 4.113 ( -1.559 0.446 5.839) 6.060 4.192 ( 1.745 -2.213 2.322) 3.651 4.356 ( -0.035 0.461 4.481) 4.504 4.499 ( 3.111 -4.671 -3.572) 6.653 5.426 ( -9.709 -2.665 3.036) 10.516 5.608 ( -4.985 -5.359 -6.340) 9.684 6.067 ( -5.680 -0.234 -1.514) 5.883 6.251 ( 1.275 -5.257 -4.221) 6.861 6.626 ( -2.552 -7.397 -3.130) 8.427 6.841 ( 7.037 -2.235 1.802) 7.600 6.963 ( -0.919 5.742 3.991) 7.052 7.195 ( 3.400 6.865 -5.947) 9.698 7.620 ( 1.675 -3.449 -0.485) 3.864 7.653 ( 5.632 -3.207 -0.732) 6.522 7.791 ( -3.002 -4.362 -0.780) 5.353 7.993 ( 6.854 -4.730 3.695) 9.111 8.619 ( -6.258 -1.385 3.889) 7.497 8.817 ( -1.065 0.739 -6.400) 6.530 8.945 ( 0.944 -3.070 11.200) 11.651 9.007 ( -2.553 0.260 -0.171) 2.572 9.071 ( 1.140 2.920 -2.687) 4.129 9.250 ( 4.387 -4.753 -3.407) 7.310 9.554 ( -5.107 2.160 0.573) 5.574 9.697 ( 1.699 4.767 2.264) 5.544 9.771 ( -0.997 7.623 -0.997) 7.753 9.960 ( 6.275 4.386 2.741) 8.132 10.658 ( -1.660 -6.943 10.322) 12.550 10.800 ( -6.681 -1.869 -12.296) 14.118 11.064 ( -0.227 -3.762 5.362) 6.554 11.321 ( 4.788 -0.521 -6.181) 7.836 11.573 ( 1.894 4.825 16.494) 17.289 11.897 ( -0.902 2.508 -16.654) 16.866 12.484 ( -7.893 6.349 5.107) 11.345 12.870 ( 4.532 -0.548 -4.909) 6.704 14.202 ( 1.199 4.538 18.870) 19.444 14.850 ( 10.910 -1.476 -17.152) 20.382 15.390 ( 0.627 -0.118 12.955) 12.970 15.589 ( -5.164 -0.166 -15.972) 16.787 15.997 ( -1.157 -5.211 5.307) 7.527 16.130 ( -1.089 -6.465 -2.944) 7.186 16.359 ( 6.380 2.765 5.214) 8.691 16.571 ( 7.384 3.991 -10.333) 13.312 16.803 ( 0.072 6.946 -1.885) 7.198 16.811 ( 0.458 14.633 2.146) 14.797 19.067 ( -4.850 -6.770 27.769) 28.991 19.558 ( -5.750 -8.639 -22.657) 24.921 ======================= Grid point 211 (99/170) ======================= q-point: ( 0.18 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 7.091 8.902 9.719) 14.966 1.636 ( 10.105 -4.209 -7.371) 13.197 1.701 ( 8.613 0.372 -1.121) 8.693 1.971 ( -2.831 3.448 -5.541) 7.114 2.017 ( -3.393 7.534 -4.926) 9.620 2.442 ( 1.822 13.453 -6.256) 14.948 2.770 ( -7.770 -5.740 3.316) 10.214 2.960 ( -1.849 -5.266 -6.648) 8.680 2.997 ( -2.020 -4.801 6.976) 8.706 3.043 ( -4.299 3.141 3.182) 6.203 3.442 ( -5.817 -3.773 -4.732) 8.394 3.561 ( -2.345 0.287 7.005) 7.393 3.790 ( -0.423 -0.448 -2.523) 2.597 3.866 ( 0.161 1.016 0.913) 1.375 4.183 ( 1.251 4.195 6.634) 7.948 4.241 ( 2.635 -2.269 -1.008) 3.621 4.400 ( 0.575 -3.024 3.293) 4.508 4.526 ( 4.210 -3.899 -3.125) 6.533 5.268 ( -13.505 -1.429 4.196) 14.214 5.418 ( -8.955 -3.022 -6.266) 11.340 5.949 ( -5.534 0.250 -1.237) 5.676 6.244 ( 1.788 -2.856 -1.219) 3.583 6.637 ( 3.703 -7.651 0.691) 8.528 6.872 ( -3.347 1.288 2.311) 4.267 7.017 ( 1.001 3.111 -1.780) 3.722 7.221 ( 0.816 1.134 4.357) 4.575 7.611 ( -0.187 -5.185 -1.165) 5.318 7.720 ( 4.244 -3.479 -1.137) 5.604 7.821 ( 7.631 -3.688 -2.330) 8.790 8.101 ( 2.066 -4.556 0.799) 5.066 8.527 ( -8.199 3.352 3.648) 9.580 8.679 ( -5.220 3.754 -7.845) 10.143 8.811 ( -4.997 -1.049 -8.142) 9.611 9.062 ( 4.049 2.436 -5.096) 6.950 9.210 ( 4.198 -1.818 12.673) 13.474 9.346 ( 5.780 -3.123 3.465) 7.428 9.494 ( -1.009 3.596 -1.273) 3.946 9.642 ( 0.279 2.448 -2.445) 3.471 9.878 ( 5.786 5.852 2.718) 8.667 10.101 ( 5.265 4.913 2.442) 7.604 10.543 ( -5.161 3.056 -7.591) 9.675 10.685 ( -8.393 -5.665 4.714) 11.170 11.112 ( -1.739 -12.231 3.408) 12.815 11.315 ( 2.439 2.264 -4.694) 5.754 11.696 ( -1.032 5.883 -15.429) 16.545 11.822 ( 5.992 7.324 15.076) 17.799 12.415 ( -6.966 6.238 4.890) 10.552 12.882 ( 2.186 -2.017 -2.996) 4.222 14.495 ( 8.336 4.315 17.497) 19.856 14.879 ( 11.756 -1.172 -11.563) 16.532 15.320 ( -1.773 -0.472 -11.241) 11.390 15.555 ( -2.099 1.615 9.652) 10.009 15.995 ( -0.606 -4.018 -0.739) 4.130 16.117 ( -2.642 -6.283 4.416) 8.122 16.448 ( -1.719 13.215 -2.069) 13.486 16.607 ( 7.422 7.008 -4.964) 11.350 16.800 ( 4.379 1.258 -5.579) 7.203 16.939 ( 11.510 3.900 7.612) 14.340 19.161 ( -9.589 -8.533 -21.814) 25.310 19.238 ( -10.106 -7.161 21.614) 24.911 ======================= Grid point 212 (100/170) ======================= q-point: ( 0.27 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 2.119 7.765 6.787) 10.528 1.713 ( 12.487 -3.845 -13.531) 18.810 1.721 ( 1.904 0.520 -8.459) 8.686 1.808 ( -2.437 0.877 -1.142) 2.831 2.160 ( 8.041 4.940 10.321) 13.985 2.411 ( -0.004 12.559 -2.077) 12.729 2.677 ( -7.824 -5.544 3.668) 10.267 2.836 ( -3.611 -4.045 -6.541) 8.497 2.911 ( -7.776 4.476 -0.026) 8.972 3.067 ( -4.038 -5.189 6.434) 9.199 3.242 ( -9.851 -1.598 -6.650) 11.993 3.572 ( -5.097 -2.761 5.150) 7.754 3.815 ( 6.309 1.009 -3.492) 7.282 3.887 ( 1.991 -2.123 -0.774) 3.012 4.247 ( 1.960 -2.449 -4.758) 5.698 4.263 ( 2.385 4.013 0.808) 4.738 4.463 ( 1.544 -4.965 4.690) 7.002 4.553 ( 3.488 -3.627 -3.704) 6.248 5.103 ( -11.959 -0.255 4.689) 12.848 5.189 ( -9.796 0.270 -6.427) 11.719 5.882 ( -3.031 -0.069 2.142) 3.712 6.278 ( 2.140 -1.019 1.157) 2.638 6.707 ( 3.783 -4.572 -1.084) 6.032 6.825 ( -5.115 1.290 1.812) 5.578 6.976 ( 0.040 5.869 -3.110) 6.642 7.231 ( -7.004 -6.277 4.517) 10.433 7.625 ( 1.238 -10.209 1.670) 10.419 7.760 ( 2.044 -9.240 -2.955) 9.914 7.972 ( 11.109 3.974 1.714) 11.922 8.077 ( -3.304 -3.182 -0.222) 4.592 8.426 ( -8.501 7.858 1.145) 11.633 8.503 ( -6.152 8.449 -5.019) 11.594 8.674 ( -0.665 -1.879 -7.671) 7.926 9.113 ( 8.890 -0.349 -3.205) 9.457 9.388 ( 3.660 0.028 6.259) 7.250 9.455 ( 3.065 -1.817 0.835) 3.660 9.512 ( 3.518 5.960 2.800) 7.466 9.705 ( 7.224 -1.820 0.692) 7.482 9.972 ( 2.658 4.389 0.720) 5.181 10.135 ( 1.605 8.145 -5.659) 10.047 10.449 ( -4.565 1.143 3.221) 5.703 10.620 ( -3.115 -2.923 3.720) 5.664 11.038 ( -5.992 -10.490 -4.297) 12.822 11.307 ( -0.428 2.133 0.045) 2.176 11.528 ( 0.242 10.408 -12.415) 16.202 12.063 ( 5.023 5.012 8.933) 11.409 12.382 ( -4.100 5.160 6.563) 9.301 12.867 ( -0.140 -2.106 -3.054) 3.713 14.798 ( 7.694 -0.351 6.114) 9.834 14.970 ( 9.114 2.435 1.617) 9.571 15.273 ( 7.909 2.125 -5.423) 9.823 15.603 ( -4.255 0.872 9.099) 10.082 16.002 ( 1.634 -1.744 1.120) 2.639 16.093 ( -7.113 -2.473 3.671) 8.378 16.349 ( -3.587 10.414 -3.736) 11.631 16.615 ( -1.865 15.966 -1.716) 16.165 16.828 ( 10.610 -4.366 -11.276) 16.087 17.314 ( 19.167 -2.790 9.125) 21.410 18.733 ( -9.603 -8.460 -23.194) 26.490 19.262 ( -15.641 -7.872 19.079) 25.896 ======================= Grid point 213 (101/170) ======================= q-point: ( 0.36 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 6.950 5.367 7.947) 11.843 1.694 ( 3.059 2.395 -0.925) 3.994 1.716 ( -1.412 2.268 -1.176) 2.919 1.836 ( 10.382 -6.000 -8.345) 14.609 2.313 ( -0.288 10.266 -0.190) 10.271 2.467 ( 3.881 0.992 7.476) 8.482 2.603 ( -6.780 -3.526 3.130) 8.258 2.698 ( -4.491 -2.410 -2.968) 5.898 2.832 ( -2.232 5.482 1.020) 6.006 2.942 ( -12.714 0.326 -4.333) 13.436 3.101 ( -2.470 -3.895 4.473) 6.425 3.523 ( -5.283 -5.764 1.679) 7.997 3.843 ( 5.223 -0.643 -9.499) 10.859 3.924 ( 4.087 0.973 -2.432) 4.854 4.187 ( -0.652 -2.453 -8.336) 8.714 4.275 ( 0.998 0.718 -3.964) 4.151 4.526 ( -0.028 -5.193 2.760) 5.881 4.559 ( 2.521 -3.400 -3.400) 5.429 4.972 ( -9.044 1.653 -0.933) 9.241 4.992 ( -5.906 1.206 -0.546) 6.052 5.902 ( -0.304 -0.775 6.578) 6.630 6.328 ( 1.430 1.190 2.019) 2.746 6.687 ( -3.323 3.040 -3.532) 5.723 6.800 ( 3.010 -0.472 -0.752) 3.138 6.971 ( -1.199 4.210 1.906) 4.775 7.113 ( -7.088 -7.649 -3.007) 10.853 7.652 ( -0.467 -15.281 1.054) 15.324 7.740 ( -1.818 -10.923 0.066) 11.073 7.988 ( -2.329 -5.426 -0.285) 5.911 8.222 ( 5.608 7.527 3.610) 10.057 8.312 ( -2.426 12.169 1.520) 12.502 8.387 ( -1.491 9.361 -1.286) 9.566 8.615 ( 2.254 -2.327 -5.722) 6.575 9.249 ( 6.294 -2.051 1.522) 6.792 9.455 ( 3.797 2.875 -3.183) 5.729 9.512 ( 1.095 0.060 3.862) 4.014 9.620 ( 4.259 7.421 2.632) 8.952 9.837 ( 5.580 -1.718 -0.074) 5.839 9.940 ( -2.627 3.332 -3.008) 5.201 10.146 ( 5.501 5.986 -0.564) 8.149 10.414 ( -4.150 -4.337 2.838) 6.640 10.624 ( -3.991 0.012 1.461) 4.250 10.884 ( -3.062 -3.443 -4.992) 6.794 11.284 ( -4.386 1.174 1.513) 4.786 11.469 ( 6.936 13.637 -6.288) 16.541 12.152 ( -0.884 1.452 1.441) 2.229 12.425 ( -1.268 4.670 7.141) 8.626 12.810 ( -1.723 -1.627 -3.891) 4.555 14.871 ( 4.492 -3.108 -2.804) 6.140 15.228 ( 9.248 6.433 9.408) 14.677 15.398 ( 5.412 0.632 4.346) 6.969 15.642 ( -0.439 4.256 4.914) 6.516 15.953 ( -11.909 2.177 2.751) 12.415 16.075 ( 3.006 0.603 4.505) 5.449 16.298 ( 0.362 4.506 -0.909) 4.611 16.532 ( -4.905 15.422 -2.145) 16.325 16.888 ( 13.910 -4.672 -14.564) 20.674 17.644 ( 8.335 -2.876 0.266) 8.821 18.420 ( 2.214 -9.897 -13.593) 16.960 19.150 ( -20.128 -8.079 13.675) 25.640 ======================= Grid point 214 (102/170) ======================= q-point: ( 0.45 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -1.554 -1.509 1.448) 2.606 1.699 ( -1.365 -1.518 3.384) 3.952 1.908 ( 7.969 5.418 13.811) 16.841 1.944 ( 15.229 -2.640 -8.586) 17.681 2.304 ( 4.812 7.809 -4.176) 10.079 2.445 ( -10.944 2.313 1.230) 11.253 2.526 ( -1.923 3.553 0.611) 4.086 2.588 ( -14.680 0.634 -1.592) 14.780 2.777 ( 4.307 -1.051 2.051) 4.885 2.878 ( -0.066 2.538 1.638) 3.021 3.204 ( 5.480 -4.491 9.066) 11.506 3.441 ( -5.551 -6.183 0.580) 8.329 3.778 ( 0.685 -0.892 -11.686) 11.740 3.939 ( 5.303 3.412 -9.996) 11.819 4.053 ( -2.318 -3.060 -7.860) 8.748 4.192 ( -5.042 -0.946 -5.300) 7.376 4.498 ( -3.894 -3.343 -0.111) 5.133 4.582 ( 3.694 -3.413 -2.856) 5.784 4.877 ( -2.726 0.708 1.362) 3.128 4.927 ( -0.707 1.459 -0.996) 1.903 6.017 ( 2.195 -2.417 10.792) 11.275 6.361 ( -0.401 2.973 2.079) 3.650 6.597 ( -0.856 3.570 -4.419) 5.745 6.809 ( -2.390 2.212 -5.563) 6.446 6.940 ( -4.210 -0.498 2.704) 5.028 7.014 ( 2.359 -4.589 -3.927) 6.484 7.660 ( 2.353 -12.848 -1.231) 13.119 7.699 ( -3.389 -12.365 1.229) 12.880 7.992 ( -1.108 -8.357 5.165) 9.887 8.195 ( -0.652 9.622 -2.780) 10.037 8.289 ( -2.254 10.333 0.107) 10.577 8.533 ( 5.899 -2.372 0.152) 6.360 8.640 ( 6.051 8.221 4.843) 11.299 9.272 ( -2.850 0.555 -3.271) 4.374 9.484 ( 1.039 2.662 -0.590) 2.918 9.557 ( 0.886 5.536 0.606) 5.639 9.686 ( 0.515 6.182 1.852) 6.474 9.798 ( -0.579 5.051 -3.498) 6.171 9.986 ( 3.573 -3.173 3.204) 5.753 10.262 ( 4.586 1.989 1.726) 5.288 10.360 ( -3.371 -3.705 0.032) 5.009 10.486 ( -6.016 -4.156 -5.915) 9.405 10.882 ( 2.129 3.428 3.369) 5.256 11.204 ( -4.422 2.972 -1.581) 5.557 11.610 ( 12.174 11.570 1.149) 16.834 12.065 ( -7.934 4.283 -4.934) 10.278 12.481 ( -0.607 1.744 6.559) 6.814 12.740 ( -1.082 -2.911 -3.990) 5.056 14.950 ( 6.292 -1.371 1.515) 6.615 15.351 ( -2.379 5.308 -2.964) 6.529 15.511 ( -3.309 0.198 12.729) 13.154 15.634 ( -4.731 4.399 3.238) 7.226 15.925 ( 3.760 8.686 6.711) 11.602 16.173 ( 1.230 4.198 3.028) 5.320 16.325 ( 1.134 1.184 4.221) 4.528 16.442 ( -1.196 9.545 -2.544) 9.950 16.958 ( 15.170 -3.646 -15.511) 22.000 17.494 ( -10.656 -3.377 -15.068) 18.761 18.597 ( 20.899 -9.967 2.505) 23.289 18.914 ( -22.935 -7.802 8.281) 25.602 ======================= Grid point 215 (103/170) ======================= q-point: (-0.45 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -6.268 -5.125 4.142) 9.094 1.737 ( -0.474 0.238 1.633) 1.717 1.966 ( -7.267 0.749 -5.033) 8.871 2.135 ( 14.656 1.803 -4.506) 15.438 2.289 ( -6.899 8.452 -5.179) 12.077 2.420 ( 5.097 7.087 1.306) 8.826 2.444 ( 5.316 0.900 11.449) 12.655 2.582 ( 2.143 4.490 3.416) 6.035 2.829 ( -2.805 -0.310 0.826) 2.941 2.902 ( 3.482 -0.528 0.035) 3.522 3.339 ( -3.393 -7.490 -0.205) 8.225 3.428 ( 2.958 -6.064 7.278) 9.924 3.644 ( 1.243 1.125 -10.246) 10.383 3.814 ( 0.585 4.160 -13.470) 14.110 4.009 ( -7.854 -1.360 -3.488) 8.700 4.056 ( 3.005 -4.271 -0.059) 5.222 4.442 ( -3.251 -0.104 1.862) 3.748 4.606 ( 3.839 -2.599 -4.182) 6.244 4.842 ( -2.912 0.301 1.416) 3.252 4.988 ( 8.427 0.183 -1.596) 8.579 6.194 ( 2.450 -4.058 12.232) 13.118 6.363 ( -0.594 0.614 1.062) 1.363 6.574 ( 0.591 1.903 -4.088) 4.548 6.650 ( -0.727 2.434 -8.059) 8.450 6.886 ( -6.338 -0.093 2.001) 6.647 7.068 ( 5.688 -0.925 -1.491) 5.952 7.649 ( -1.583 -11.360 -0.127) 11.470 7.728 ( 5.693 -10.370 -1.688) 11.950 8.053 ( 0.174 -8.619 6.956) 11.077 8.173 ( 1.055 8.192 -2.533) 8.640 8.269 ( -1.848 5.159 2.279) 5.935 8.518 ( 1.251 -7.164 -8.039) 10.840 8.877 ( 6.299 11.927 12.426) 18.339 9.103 ( -8.010 5.536 -9.554) 13.641 9.457 ( -3.755 4.917 1.366) 6.336 9.544 ( -1.609 6.976 -1.036) 7.233 9.716 ( 0.969 2.801 2.297) 3.750 9.790 ( 1.054 5.640 -1.601) 5.957 10.070 ( -1.459 -3.500 5.990) 7.089 10.164 ( -8.134 1.269 -2.056) 8.485 10.350 ( -2.593 -5.083 -4.054) 6.999 10.470 ( 9.759 -3.624 -0.501) 10.422 10.981 ( 1.445 2.995 6.384) 7.199 11.127 ( 0.281 4.867 -4.122) 6.385 11.775 ( -11.142 8.769 -4.619) 14.912 11.871 ( 8.594 9.339 1.083) 12.738 12.557 ( 0.802 -1.831 5.930) 6.258 12.686 ( 0.172 -3.676 -4.123) 5.526 15.097 ( 3.134 1.102 5.277) 6.236 15.138 ( -10.879 3.711 -4.962) 12.520 15.554 ( -7.343 3.251 10.277) 13.043 15.640 ( -1.655 0.868 5.170) 5.497 16.109 ( 7.996 14.611 4.757) 17.322 16.133 ( -4.148 5.475 -1.559) 7.044 16.411 ( 3.755 3.600 -2.335) 5.701 16.472 ( 3.202 -0.698 5.114) 6.074 17.050 ( 10.542 -4.286 -9.613) 14.897 17.126 ( -7.315 -2.116 -15.401) 17.181 18.577 ( -25.110 -7.668 4.279) 26.601 19.023 ( 23.755 -9.388 3.445) 25.774 ======================= Grid point 216 (104/170) ======================= q-point: (-0.36 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -16.382 1.179 -0.277) 16.427 1.596 ( -11.331 3.638 -3.364) 12.367 1.803 ( -0.352 3.729 -3.449) 5.092 2.235 ( 5.828 1.923 -7.905) 10.008 2.345 ( 9.434 6.014 -1.212) 11.253 2.457 ( -4.919 3.280 5.818) 8.295 2.636 ( 4.035 2.257 4.625) 6.540 2.727 ( 9.755 0.887 3.724) 10.480 2.760 ( -1.123 0.148 -1.219) 1.664 2.931 ( -0.150 -1.007 -1.413) 1.742 3.237 ( -2.763 -7.066 -2.156) 7.888 3.543 ( 3.440 -4.469 2.485) 6.163 3.562 ( 0.797 1.231 -7.952) 8.086 3.810 ( 5.516 -0.700 -0.555) 5.588 3.913 ( 0.468 0.324 2.903) 2.958 4.100 ( -1.218 -5.384 2.959) 6.263 4.436 ( -2.055 4.558 3.351) 6.019 4.605 ( 1.182 -3.416 -2.852) 4.604 4.856 ( 4.444 1.203 0.005) 4.604 5.135 ( 12.043 -1.230 -2.532) 12.367 6.266 ( -2.325 -6.268 -1.712) 6.902 6.401 ( 0.690 -3.050 -0.920) 3.260 6.497 ( 2.603 3.318 1.233) 4.394 6.717 ( 4.592 1.672 2.391) 5.441 6.811 ( -2.863 -0.001 3.693) 4.673 7.132 ( 4.514 1.250 -2.593) 5.353 7.638 ( 0.907 -9.786 -0.575) 9.845 7.806 ( 5.309 -8.494 -0.944) 10.061 8.117 ( -3.090 -7.185 4.353) 8.951 8.170 ( 3.779 4.968 -2.899) 6.882 8.283 ( -1.049 -2.781 4.124) 5.083 8.423 ( -1.112 -2.751 -7.591) 8.150 8.817 ( -10.415 7.752 -11.657) 17.448 9.076 ( 0.111 7.145 9.669) 12.024 9.401 ( -4.956 5.379 0.929) 7.373 9.513 ( -1.886 9.477 2.048) 9.878 9.744 ( 0.123 2.288 -2.297) 3.245 9.782 ( 0.818 4.189 0.094) 4.270 9.979 ( -5.778 -2.285 -2.241) 6.605 10.090 ( -8.480 0.160 5.156) 9.926 10.330 ( 2.400 -1.942 1.756) 3.552 10.620 ( 9.631 -5.307 -1.916) 11.162 10.985 ( -1.441 2.770 -3.278) 4.527 11.185 ( 4.150 2.221 3.789) 6.043 11.471 ( -12.275 14.626 -5.582) 19.894 12.076 ( 7.982 3.279 4.363) 9.669 12.609 ( 0.201 -3.937 1.042) 4.077 12.677 ( 2.396 -1.059 -0.543) 2.675 14.849 ( -15.812 2.787 -0.487) 16.063 15.218 ( -1.873 1.065 4.528) 5.015 15.495 ( -8.432 11.405 4.064) 14.754 15.691 ( 1.123 -4.665 5.030) 6.952 16.059 ( -1.051 2.383 -1.787) 3.159 16.244 ( 1.478 10.624 1.247) 10.799 16.412 ( 1.155 0.858 -2.094) 2.540 16.557 ( 6.458 2.238 -6.220) 9.242 16.840 ( -3.296 1.770 -8.415) 9.209 17.253 ( 12.317 -3.420 2.983) 13.126 18.189 ( -25.693 -7.078 1.981) 26.724 19.432 ( 22.348 -9.657 0.821) 24.359 ======================= Grid point 217 (105/170) ======================= q-point: (-0.27 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -20.270 8.118 1.466) 21.884 1.349 ( -17.510 5.700 3.600) 18.763 1.866 ( 10.964 3.849 -7.818) 14.005 2.140 ( -5.674 5.222 -7.445) 10.719 2.224 ( -13.926 10.238 -1.403) 17.341 2.570 ( 4.040 -3.023 5.545) 7.497 2.661 ( -2.628 -1.902 -5.147) 6.084 2.760 ( 5.274 -0.217 0.887) 5.353 2.901 ( 3.411 2.569 -2.333) 4.866 3.016 ( 12.750 -1.657 5.294) 13.905 3.244 ( 4.052 -5.681 -0.690) 7.012 3.545 ( 3.709 -0.069 -1.281) 3.925 3.600 ( 2.496 -3.267 1.908) 4.532 3.930 ( 6.096 -2.778 2.917) 7.307 4.012 ( 2.900 -1.607 3.767) 5.018 4.090 ( -3.561 -3.652 4.156) 6.580 4.402 ( -5.973 6.125 2.455) 8.900 4.608 ( 1.268 -3.525 -0.945) 3.863 4.992 ( 11.035 1.518 1.003) 11.184 5.328 ( 15.590 -2.476 -3.775) 16.230 6.165 ( -0.392 -6.524 -8.664) 10.853 6.358 ( -2.220 -0.364 -2.376) 3.272 6.614 ( 3.122 -0.745 3.200) 4.533 6.747 ( 3.669 0.915 2.513) 4.540 6.976 ( 6.286 -2.299 9.862) 11.918 7.159 ( 3.674 1.932 -3.441) 5.392 7.664 ( 2.581 -7.510 -0.351) 7.949 7.856 ( 0.890 -8.745 -2.378) 9.106 8.039 ( -8.427 -5.613 -0.138) 10.126 8.188 ( -0.068 -3.358 -4.266) 5.430 8.265 ( -3.225 -0.834 3.834) 5.078 8.411 ( 2.326 4.089 0.771) 4.767 8.550 ( -5.549 5.823 -6.417) 10.289 9.057 ( -9.859 0.446 1.677) 10.010 9.320 ( -4.298 4.559 0.507) 6.286 9.527 ( -1.042 10.977 2.465) 11.298 9.671 ( -3.194 3.545 -4.437) 6.515 9.794 ( -1.001 0.518 -1.469) 1.852 9.917 ( 0.129 -0.710 0.311) 0.785 10.019 ( -3.966 4.212 2.474) 6.292 10.416 ( 0.347 -1.276 8.648) 8.748 10.743 ( 7.968 -7.179 -1.829) 10.880 10.901 ( -3.251 -0.595 -5.664) 6.558 11.206 ( -4.381 11.874 3.021) 13.012 11.381 ( 4.160 5.443 -0.769) 6.893 12.213 ( 4.298 0.152 2.071) 4.773 12.616 ( 1.904 -2.846 -1.942) 3.937 12.718 ( 1.202 0.567 1.406) 1.935 14.612 ( -17.044 1.425 5.991) 18.122 15.097 ( -12.120 1.533 -1.570) 12.317 15.400 ( -5.268 11.400 -2.024) 12.720 15.775 ( 0.961 -7.294 5.024) 8.909 16.075 ( 4.323 2.173 -0.019) 4.838 16.197 ( -2.990 2.587 -1.890) 4.382 16.409 ( 1.698 -2.608 -4.707) 5.643 16.590 ( 5.899 5.975 -4.319) 9.443 16.787 ( 5.878 10.406 -8.746) 14.810 17.459 ( 0.433 -1.182 3.201) 3.440 17.854 ( -16.502 -7.920 11.907) 21.837 19.757 ( 18.593 -9.848 -3.603) 21.346 ======================= Grid point 218 (106/170) ======================= q-point: (-0.18 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -15.039 6.644 15.018) 22.268 1.138 ( -17.083 7.905 11.170) 21.888 1.852 ( -12.366 11.628 2.813) 17.206 1.936 ( -7.013 13.308 -2.567) 15.260 2.079 ( 6.640 0.363 -12.198) 13.893 2.525 ( -2.236 -2.587 -9.983) 10.552 2.676 ( 2.553 -2.216 5.285) 6.274 2.855 ( 4.171 -1.204 1.458) 4.579 2.958 ( 4.157 3.827 -0.037) 5.651 3.243 ( 7.686 -3.831 2.542) 8.956 3.316 ( 6.587 -4.220 -2.815) 8.314 3.631 ( 4.695 -3.192 3.119) 6.477 3.700 ( 4.354 -0.570 5.042) 6.686 3.965 ( -0.814 -3.381 -5.260) 6.306 4.078 ( 0.654 -2.179 4.635) 5.163 4.124 ( 0.093 -0.881 5.541) 5.611 4.327 ( -6.770 4.462 3.957) 9.022 4.600 ( -0.048 -3.880 -2.528) 4.632 5.211 ( 12.465 0.218 1.969) 12.621 5.546 ( 16.107 -3.824 -5.221) 17.359 6.102 ( 4.065 -4.898 -7.237) 9.638 6.284 ( -3.108 -0.841 -2.202) 3.901 6.651 ( 1.388 -2.946 -0.679) 3.327 6.921 ( 10.306 0.396 3.216) 10.803 7.059 ( 1.204 1.006 -5.433) 5.655 7.266 ( 4.995 -4.787 7.876) 10.483 7.688 ( -13.138 -2.958 -6.713) 15.047 7.702 ( 1.934 -6.130 -1.212) 6.540 7.866 ( -10.077 -1.995 -3.276) 10.782 8.105 ( -5.003 -7.430 0.234) 8.960 8.323 ( 0.561 1.298 6.223) 6.382 8.435 ( 1.080 4.008 9.267) 10.154 8.585 ( 4.730 2.019 4.011) 6.522 8.872 ( -6.935 -0.388 -4.677) 8.374 9.311 ( 0.299 3.207 3.496) 4.753 9.505 ( -2.415 3.758 -2.910) 5.332 9.569 ( -3.191 6.925 -0.995) 7.689 9.700 ( -4.714 -1.569 -5.906) 7.717 9.932 ( -1.224 1.568 0.345) 2.019 10.009 ( -0.183 7.906 1.128) 7.988 10.547 ( 3.968 -2.926 8.046) 9.436 10.712 ( -7.753 -2.411 -2.971) 8.646 10.904 ( 5.424 -5.388 5.426) 9.375 11.230 ( 4.176 13.139 0.036) 13.787 11.422 ( 0.690 -2.293 -1.483) 2.817 12.263 ( 2.349 2.516 -3.106) 4.637 12.633 ( 1.617 -2.751 -0.535) 3.236 12.740 ( 1.347 1.343 -0.794) 2.061 14.392 ( -21.794 1.471 10.802) 24.369 14.915 ( -5.510 1.166 -0.604) 5.664 15.265 ( -3.335 6.568 -8.820) 11.491 15.817 ( -1.851 -7.965 4.843) 9.504 16.148 ( 1.567 5.352 -1.359) 5.740 16.176 ( 3.964 -1.369 -0.853) 4.280 16.374 ( 3.037 -3.793 -7.912) 9.285 16.631 ( 2.133 2.389 -1.180) 3.413 16.790 ( 6.317 15.464 -9.642) 19.288 17.212 ( -18.114 0.641 -5.524) 18.949 18.044 ( 3.173 -6.282 27.176) 28.073 19.950 ( 13.059 -9.850 -8.948) 18.645 ======================= Grid point 219 (107/170) ======================= q-point: (-0.09 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -15.860 3.675 16.186) 22.957 1.125 ( -7.106 6.842 22.092) 24.194 1.691 ( -14.381 20.253 13.822) 28.426 1.849 ( 4.445 7.001 -10.575) 13.438 2.115 ( 8.303 -0.557 -4.764) 9.589 2.399 ( 2.389 4.043 -11.019) 11.978 2.774 ( 1.433 -2.968 5.353) 6.286 2.920 ( 0.262 -1.102 3.319) 3.507 3.015 ( 2.920 1.936 -0.590) 3.553 3.309 ( 2.451 -5.677 -5.219) 8.092 3.385 ( 3.087 -4.026 0.673) 5.118 3.733 ( 2.156 -3.446 2.058) 4.556 3.819 ( 3.632 2.475 1.645) 4.693 3.882 ( -0.745 -0.726 -2.355) 2.574 4.101 ( -1.972 -2.726 2.736) 4.337 4.184 ( -0.574 1.595 3.511) 3.899 4.279 ( -4.954 0.823 5.561) 7.493 4.556 ( -0.390 -4.592 -4.143) 6.197 5.409 ( 8.011 -1.804 1.892) 8.427 5.699 ( 9.602 -5.492 -6.710) 12.938 6.143 ( 7.606 -4.489 -4.145) 9.756 6.220 ( -0.852 -1.067 -2.340) 2.710 6.660 ( 2.243 -4.356 -2.800) 5.643 6.951 ( -2.751 -1.690 -6.096) 6.898 7.127 ( 10.002 4.573 -2.844) 11.359 7.264 ( -11.832 -0.900 -7.843) 14.224 7.489 ( -1.869 -4.837 6.755) 8.515 7.667 ( -7.048 -2.062 -1.572) 7.510 7.739 ( 1.792 -2.429 0.330) 3.037 8.013 ( -8.441 -5.768 2.581) 10.544 8.435 ( 1.632 0.830 11.199) 11.348 8.592 ( 2.942 -2.860 8.133) 9.109 8.744 ( 1.225 2.344 11.814) 12.106 8.820 ( 9.013 0.105 -2.997) 9.499 9.321 ( -5.360 -0.882 -2.416) 5.945 9.426 ( 0.336 3.249 0.436) 3.296 9.525 ( -5.671 -2.188 -8.920) 10.795 9.593 ( 3.756 7.585 3.031) 8.990 9.869 ( -4.353 1.760 -2.949) 5.544 10.014 ( -1.379 7.617 0.855) 7.788 10.523 ( -4.384 2.083 -2.977) 5.694 10.778 ( 4.697 -4.823 11.871) 13.647 11.075 ( 4.082 -6.951 9.541) 12.490 11.288 ( 4.168 7.100 -6.798) 10.677 11.365 ( -3.566 -2.420 -0.243) 4.316 12.219 ( 1.321 4.894 -10.141) 11.337 12.624 ( -6.373 -0.890 5.038) 8.173 12.776 ( 8.240 1.411 -6.486) 10.580 14.163 ( -20.679 2.854 13.537) 24.880 14.914 ( 3.033 -2.093 0.681) 3.747 15.126 ( 0.376 4.531 -8.602) 9.730 15.847 ( -1.561 -8.208 6.285) 10.455 16.144 ( 3.646 3.270 -11.861) 12.832 16.175 ( -1.190 -1.680 -1.565) 2.586 16.331 ( -0.868 -2.718 -3.681) 4.657 16.614 ( -0.219 -0.111 -5.329) 5.335 16.768 ( 1.527 12.003 -4.359) 12.861 16.939 ( -7.343 10.205 -2.392) 12.798 18.423 ( 3.009 -5.730 29.752) 30.448 19.981 ( 6.483 -9.624 -14.418) 18.507 ======================= Grid point 220 (108/170) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.204 18.353 6.592) 19.502 1.452 ( 4.876 7.210 8.106) 11.894 1.792 ( -2.172 10.069 -7.701) 12.861 2.059 ( 3.782 5.833 -3.378) 7.729 2.380 ( 1.862 6.605 8.242) 10.725 2.543 ( 3.141 7.474 -0.389) 8.117 2.727 ( -0.767 -4.630 1.910) 5.067 2.918 ( 1.617 -6.534 -4.281) 7.978 2.958 ( -4.398 -1.755 0.938) 4.827 3.121 ( -0.121 -3.093 -3.912) 4.988 3.320 ( 0.975 -7.863 5.447) 9.615 3.597 ( -3.348 -6.762 -3.447) 8.295 3.936 ( -0.326 4.954 -0.034) 4.965 3.966 ( 2.807 2.514 4.322) 5.734 4.036 ( -0.094 -3.201 3.659) 4.863 4.188 ( -4.922 1.882 -0.959) 5.356 4.321 ( 1.294 1.234 4.658) 4.989 4.416 ( -1.212 -2.720 -0.848) 3.096 5.404 ( 0.221 -5.267 -0.801) 5.332 5.541 ( 0.975 -9.621 -5.818) 11.286 6.081 ( 0.351 -3.897 -0.266) 3.922 6.125 ( -0.426 -6.331 -1.303) 6.478 6.615 ( 8.065 -3.830 -4.460) 9.980 6.670 ( -9.174 -5.939 -6.038) 12.486 7.170 ( -4.806 6.572 0.518) 8.158 7.298 ( 3.656 3.441 -3.773) 6.281 7.465 ( 2.874 -3.968 3.377) 5.951 7.546 ( 2.517 -3.534 -0.922) 4.436 7.705 ( -0.275 -6.120 2.978) 6.812 7.782 ( -2.586 -6.986 0.175) 7.451 8.572 ( -0.657 -0.653 7.376) 7.434 8.669 ( 3.207 -1.486 12.774) 13.254 8.840 ( 4.172 0.895 -0.859) 4.353 8.955 ( 1.836 -3.262 6.909) 7.857 9.194 ( -2.571 -0.009 -6.951) 7.411 9.246 ( -5.199 -4.104 -9.827) 11.850 9.624 ( 4.340 6.988 4.343) 9.302 9.767 ( -1.577 2.693 -0.902) 3.248 9.896 ( 1.824 6.853 1.576) 7.265 10.090 ( -2.901 3.988 -3.142) 5.848 10.505 ( -4.106 1.469 3.853) 5.819 10.841 ( 2.996 -5.727 -3.457) 7.330 10.992 ( 0.149 -4.712 2.078) 5.152 11.149 ( 1.683 -6.994 3.114) 7.839 11.599 ( 1.136 12.258 5.906) 13.654 12.173 ( -3.106 4.513 -13.321) 14.404 12.645 ( -3.218 4.217 6.047) 8.044 12.851 ( 3.865 0.125 -3.203) 5.022 14.193 ( -7.091 7.807 13.684) 17.277 14.849 ( 5.034 -2.307 -12.557) 13.724 15.257 ( 3.295 4.089 7.037) 8.780 15.696 ( -3.862 -8.798 4.419) 10.576 15.912 ( -0.489 -3.912 -14.368) 14.899 16.077 ( -0.267 -7.014 -6.088) 9.292 16.248 ( -4.102 -0.035 3.540) 5.418 16.537 ( 5.654 -2.606 -8.093) 10.211 17.062 ( 2.420 14.588 5.512) 15.781 17.274 ( -2.092 22.777 -4.465) 23.305 18.618 ( 0.452 -8.635 26.550) 27.922 19.573 ( -0.405 -16.156 -17.438) 23.775 ======================= Grid point 221 (109/170) ======================= q-point: ( 0.09 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 7.471 16.530 6.389) 19.232 1.579 ( 10.237 2.555 -10.937) 15.197 1.728 ( -3.126 11.606 6.735) 13.778 2.089 ( 7.062 5.331 -7.746) 11.760 2.368 ( -9.754 5.779 -1.818) 11.482 2.617 ( 2.322 -2.312 4.578) 5.629 2.708 ( -1.447 -2.712 -1.512) 3.425 2.879 ( 1.923 -6.586 -4.936) 8.452 2.888 ( -7.764 -1.248 4.766) 9.195 3.116 ( 1.083 1.279 0.464) 1.739 3.409 ( -0.219 -5.921 8.539) 10.394 3.474 ( -4.378 -7.574 -5.526) 10.347 3.879 ( -6.242 2.585 -0.021) 6.756 3.980 ( -2.702 4.484 -1.539) 5.457 4.111 ( 2.170 -0.500 7.023) 7.368 4.171 ( 2.902 0.786 0.302) 3.022 4.376 ( -0.585 1.590 1.489) 2.256 4.398 ( 0.961 -3.358 0.343) 3.510 5.345 ( -6.658 -5.035 0.582) 8.368 5.456 ( -3.544 -8.556 -5.089) 10.567 6.041 ( -3.982 -2.421 -0.702) 4.713 6.137 ( 2.178 -5.083 -0.636) 5.567 6.478 ( -4.127 -5.924 -3.333) 7.952 6.729 ( 5.996 -7.433 0.321) 9.556 7.099 ( -5.074 5.860 2.503) 8.145 7.325 ( 2.636 4.273 -3.028) 5.863 7.536 ( 2.351 -3.774 1.149) 4.592 7.569 ( 2.461 -3.824 -2.430) 5.156 7.687 ( -0.350 -4.969 -0.103) 4.983 7.863 ( 7.702 -7.017 1.654) 10.550 8.600 ( -3.706 -0.070 5.112) 6.315 8.838 ( 0.121 0.424 -1.897) 1.948 8.904 ( 4.219 0.072 5.481) 6.918 9.001 ( -0.720 -0.906 -1.830) 2.165 9.103 ( 2.400 -1.555 -1.898) 3.432 9.145 ( 2.399 -3.436 -1.647) 4.502 9.644 ( -3.484 5.213 -0.409) 6.284 9.803 ( 2.298 4.529 0.096) 5.079 9.928 ( -0.201 6.663 -0.481) 6.683 10.057 ( 4.276 4.040 1.628) 6.104 10.519 ( -3.430 -4.584 6.983) 9.030 10.768 ( 0.581 -0.475 -8.056) 8.091 10.949 ( -7.827 -6.822 1.827) 10.542 11.266 ( 6.920 -4.367 -1.232) 8.275 11.753 ( 4.642 11.196 13.467) 18.118 11.991 ( 0.039 6.304 -13.492) 14.892 12.625 ( -5.966 6.063 4.052) 9.422 12.850 ( 0.447 -1.317 -2.628) 2.974 14.333 ( 3.773 7.707 14.820) 17.125 14.817 ( 9.707 -1.567 -13.894) 17.021 15.395 ( -1.202 0.683 7.718) 7.841 15.582 ( -1.062 -0.290 -8.688) 8.757 15.870 ( 0.304 -7.268 2.396) 7.659 16.013 ( 0.476 -4.808 -3.460) 5.943 16.310 ( 5.892 -4.528 5.123) 9.026 16.569 ( 9.517 -3.328 -9.156) 13.619 17.102 ( -5.149 19.114 0.285) 19.797 17.197 ( -0.678 20.183 -0.114) 20.195 18.874 ( -4.544 -10.969 24.827) 27.520 19.304 ( -6.077 -15.042 -20.606) 26.226 ======================= Grid point 222 (110/170) ======================= q-point: ( 0.18 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 6.766 10.635 1.895) 12.746 1.598 ( 10.882 2.528 -10.720) 15.483 1.783 ( 1.849 6.510 0.827) 6.818 2.061 ( -8.246 5.198 -5.497) 11.191 2.187 ( 0.501 7.234 -0.783) 7.294 2.623 ( -6.945 -7.807 4.171) 11.251 2.680 ( 0.531 4.449 -2.636) 5.198 2.840 ( -0.473 -2.030 -5.001) 5.418 2.866 ( -3.427 -6.427 7.513) 10.464 3.114 ( -3.084 2.248 0.608) 3.864 3.322 ( -5.232 -7.449 -5.800) 10.794 3.503 ( -1.826 -5.643 7.334) 9.432 3.784 ( -3.282 0.311 -0.054) 3.297 3.901 ( -2.816 2.720 -2.478) 4.633 4.212 ( 3.670 0.697 -2.390) 4.435 4.262 ( 3.708 -0.320 8.021) 8.843 4.346 ( -1.467 0.292 -1.447) 2.081 4.438 ( 1.836 -3.135 0.401) 3.655 5.219 ( -9.990 -3.417 2.359) 10.819 5.324 ( -6.010 -5.763 -4.160) 9.308 5.944 ( -5.397 -0.602 -1.129) 5.546 6.179 ( 2.846 -2.953 1.106) 4.248 6.488 ( 5.385 -6.190 0.863) 8.250 6.782 ( -0.438 -9.700 1.320) 9.800 7.074 ( -3.010 3.510 3.866) 6.027 7.273 ( -3.779 1.532 -3.493) 5.369 7.499 ( -3.335 -4.856 -1.265) 6.025 7.615 ( 0.701 -3.953 -0.297) 4.025 7.789 ( 12.572 -0.275 0.846) 12.603 7.987 ( 5.443 -5.423 -1.003) 7.749 8.582 ( -3.835 1.671 3.777) 5.636 8.737 ( -1.953 -0.312 -9.971) 10.165 8.837 ( -1.409 4.884 -6.727) 8.431 9.087 ( 2.964 -0.947 -6.503) 7.209 9.166 ( 4.631 -1.546 9.873) 11.014 9.289 ( 6.989 -2.051 7.591) 10.521 9.606 ( 0.826 6.355 -1.681) 6.625 9.735 ( -1.639 5.923 -3.061) 6.866 10.000 ( 5.337 5.255 0.380) 7.500 10.174 ( 3.686 0.659 3.908) 5.413 10.532 ( -1.940 -4.088 4.341) 6.271 10.663 ( -6.679 4.896 -4.989) 9.668 10.856 ( -3.071 -10.570 1.304) 11.084 11.321 ( 3.063 -2.454 -2.990) 4.934 11.871 ( 2.443 10.776 -11.026) 15.609 12.016 ( 6.978 10.450 12.597) 17.792 12.548 ( -7.276 5.155 2.530) 9.269 12.825 ( -0.213 -3.191 -1.603) 3.577 14.606 ( 9.179 5.907 12.410) 16.527 14.861 ( 11.494 -0.637 -9.458) 14.898 15.326 ( -2.899 1.447 -3.598) 4.842 15.608 ( 2.087 3.657 3.859) 5.712 15.893 ( 0.621 -5.867 1.673) 6.132 16.026 ( 0.598 -2.686 2.463) 3.693 16.531 ( 13.155 -7.257 1.469) 15.095 16.646 ( 11.711 -1.198 -7.441) 13.926 16.947 ( -7.726 15.844 -3.730) 18.018 17.219 ( -1.202 18.924 4.634) 19.520 18.915 ( -10.514 -14.301 -18.940) 25.957 19.027 ( -9.559 -12.529 18.182) 24.061 ======================= Grid point 223 (111/170) ======================= q-point: ( 0.27 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 4.753 3.294 -2.191) 6.185 1.693 ( 11.146 1.860 -9.155) 14.543 1.794 ( -1.326 8.061 0.193) 8.171 1.872 ( -5.364 4.043 -1.896) 6.979 2.277 ( 3.326 6.198 6.038) 9.270 2.552 ( -6.275 -6.809 4.361) 10.235 2.658 ( -1.278 6.368 0.062) 6.495 2.758 ( -3.190 0.655 -3.768) 4.980 2.885 ( -3.418 -7.051 4.993) 9.291 3.043 ( -5.611 3.018 0.892) 6.433 3.159 ( -6.714 -6.288 -5.990) 10.977 3.471 ( -6.336 -6.388 0.984) 9.051 3.815 ( 4.646 -1.354 1.604) 5.098 3.852 ( 0.511 -0.249 -2.975) 3.029 4.212 ( 3.377 -0.182 -7.665) 8.378 4.294 ( -0.609 -3.569 -3.019) 4.714 4.399 ( 0.766 0.802 5.711) 5.817 4.461 ( 1.452 -4.102 -0.365) 4.367 5.090 ( -9.329 -1.271 3.513) 10.050 5.169 ( -6.993 -2.310 -4.171) 8.464 5.873 ( -2.723 -0.420 1.112) 2.971 6.256 ( 4.011 -1.216 2.187) 4.727 6.610 ( 7.042 -4.925 0.639) 8.617 6.774 ( -1.762 -7.452 1.441) 7.792 7.055 ( -3.691 2.169 2.387) 4.901 7.161 ( -5.545 0.724 -2.150) 5.991 7.427 ( -3.472 -6.927 -0.988) 7.811 7.597 ( -2.007 -5.875 -0.339) 6.218 7.969 ( 2.115 -2.592 -4.929) 5.957 8.067 ( 10.596 0.583 4.204) 11.414 8.559 ( -2.296 3.730 1.408) 4.601 8.616 ( -0.369 3.084 -8.089) 8.665 8.741 ( -2.182 8.427 -5.620) 10.361 9.081 ( 7.305 -3.220 -6.070) 10.028 9.336 ( 3.540 -2.879 8.158) 9.347 9.461 ( 4.420 0.547 4.200) 6.121 9.646 ( 5.069 6.826 1.419) 8.619 9.767 ( 5.519 6.406 1.359) 8.565 10.065 ( 2.567 3.874 -1.198) 4.800 10.244 ( 1.977 0.828 0.346) 2.171 10.429 ( -8.830 -1.453 -3.104) 9.472 10.608 ( -1.089 -0.746 3.227) 3.486 10.838 ( -0.354 -4.299 0.432) 4.335 11.317 ( -0.635 -1.958 -0.625) 2.151 11.807 ( 3.633 15.373 -8.857) 18.110 12.213 ( 2.707 8.702 5.366) 10.576 12.475 ( -3.917 2.429 3.189) 5.605 12.810 ( -0.100 -3.160 -1.233) 3.394 14.806 ( 6.110 1.575 -1.610) 6.512 15.033 ( 12.964 2.444 5.571) 14.320 15.315 ( 0.673 2.191 3.818) 4.453 15.696 ( 5.178 8.160 3.434) 10.256 15.935 ( -0.649 -5.115 4.487) 6.835 16.063 ( 1.114 0.457 1.505) 1.928 16.639 ( -1.850 14.496 -11.646) 18.686 16.683 ( 9.340 -5.120 -5.996) 12.223 16.921 ( 3.113 5.359 1.464) 6.368 17.314 ( 7.080 7.336 8.580) 13.325 18.486 ( -11.625 -14.247 -22.027) 28.693 19.033 ( -14.889 -13.707 16.914) 26.375 ======================= Grid point 224 (112/170) ======================= q-point: ( 0.36 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 5.266 -0.763 -3.089) 6.153 1.757 ( -2.632 2.187 -1.271) 3.651 1.795 ( 4.256 3.047 0.891) 5.310 1.830 ( 5.998 7.842 1.983) 10.070 2.362 ( -1.605 -2.509 4.098) 5.066 2.546 ( -3.139 -2.086 6.152) 7.215 2.632 ( -2.070 9.744 0.565) 9.977 2.669 ( -2.482 0.673 -0.949) 2.742 2.867 ( -6.361 -4.208 1.471) 7.768 2.972 ( -3.413 4.839 0.835) 5.980 3.007 ( -2.988 -5.042 -0.108) 5.862 3.377 ( -4.744 -7.204 -0.815) 8.664 3.825 ( 2.751 -0.398 -6.702) 7.255 3.917 ( 5.649 -2.456 -1.041) 6.247 4.145 ( 0.683 -1.176 -10.615) 10.702 4.262 ( 2.082 -2.309 -5.683) 6.477 4.397 ( -3.775 -5.911 1.628) 7.200 4.483 ( -0.302 -3.537 0.333) 3.565 4.990 ( -7.919 0.516 3.218) 8.563 5.020 ( -4.436 0.416 -3.969) 5.967 5.880 ( -0.058 -0.996 4.140) 4.259 6.344 ( 3.419 -0.843 1.761) 3.937 6.685 ( 1.572 -4.783 -2.816) 5.769 6.788 ( 4.028 -0.779 0.917) 4.204 6.998 ( -7.171 -0.028 0.726) 7.208 7.060 ( -3.193 3.215 -0.592) 4.569 7.380 ( -1.640 -9.223 1.003) 9.421 7.550 ( -3.559 -6.739 0.442) 7.634 7.893 ( -1.783 -3.075 -4.996) 6.131 8.239 ( 4.212 -5.450 -0.713) 6.925 8.534 ( -0.572 7.763 -3.654) 8.599 8.583 ( 1.375 8.921 -2.543) 9.377 8.675 ( 4.692 9.069 -0.077) 10.211 9.204 ( 8.528 -2.708 1.531) 9.078 9.445 ( 1.194 -2.403 4.347) 5.108 9.555 ( 3.412 2.537 3.101) 5.263 9.768 ( 4.515 4.979 2.187) 7.068 9.891 ( 5.599 7.010 2.548) 9.326 10.035 ( -2.193 4.516 -4.115) 6.491 10.236 ( 1.890 2.620 -4.283) 5.365 10.339 ( -3.039 -3.026 3.390) 5.466 10.541 ( -6.709 -6.313 -3.536) 9.868 10.886 ( 3.173 3.965 3.122) 5.961 11.293 ( -2.816 -0.767 1.319) 3.203 11.809 ( 5.759 17.078 -3.949) 18.450 12.227 ( -1.465 5.059 -0.967) 5.355 12.493 ( -0.126 1.115 2.866) 3.078 12.774 ( -2.118 -1.643 -2.841) 3.906 14.869 ( 5.782 3.127 -1.438) 6.729 15.316 ( 10.575 1.119 4.718) 11.634 15.385 ( -2.055 0.062 12.521) 12.689 15.881 ( 8.110 16.253 4.190) 18.641 15.918 ( -5.982 -5.438 4.002) 9.020 16.113 ( 3.764 4.130 1.877) 5.894 16.475 ( -1.979 11.587 -7.203) 13.786 16.771 ( 11.595 -5.966 -10.638) 16.829 16.888 ( -4.595 15.826 -2.380) 16.651 17.578 ( 7.016 -1.966 4.155) 8.388 18.120 ( -1.404 -17.956 -14.678) 23.234 18.914 ( -18.965 -14.179 11.890) 26.497 ======================= Grid point 225 (113/170) ======================= q-point: ( 0.45 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -7.607 -1.253 -0.187) 7.712 1.637 ( 2.907 -3.484 -2.244) 5.062 1.973 ( 14.133 5.469 -3.364) 15.523 2.054 ( 7.469 6.793 13.413) 16.788 2.344 ( -1.952 -3.210 0.071) 3.758 2.467 ( -9.621 -2.074 1.597) 9.971 2.629 ( -0.185 5.752 2.607) 6.318 2.679 ( -3.982 8.178 2.182) 9.353 2.764 ( 2.132 -0.889 -0.945) 2.496 2.917 ( -2.517 0.673 -0.128) 2.608 3.114 ( 4.712 -2.318 7.963) 9.539 3.291 ( -5.110 -6.985 0.424) 8.665 3.780 ( 2.184 0.923 -10.282) 10.551 3.950 ( 2.719 -2.813 -4.912) 6.279 4.018 ( -0.571 -0.123 -10.544) 10.560 4.168 ( -4.002 -0.547 -9.331) 10.167 4.380 ( -1.011 -8.484 2.230) 8.830 4.464 ( -0.451 -6.938 -0.514) 6.972 4.910 ( -4.211 2.160 1.610) 4.999 4.951 ( -0.095 0.740 -1.968) 2.104 5.961 ( 1.758 -2.505 7.493) 8.093 6.377 ( -0.782 -3.684 -1.076) 3.917 6.658 ( 1.748 2.508 -3.186) 4.415 6.822 ( -7.131 -2.413 -0.836) 7.575 6.931 ( 5.701 5.512 -0.862) 7.977 7.008 ( -3.480 0.954 -0.018) 3.608 7.410 ( 2.644 -10.199 2.839) 10.912 7.497 ( -3.209 -6.570 0.295) 7.318 7.834 ( -1.017 -5.452 -0.985) 5.633 8.219 ( 0.199 -7.811 -6.377) 10.086 8.494 ( -1.451 8.406 -1.919) 8.744 8.538 ( 1.818 6.458 -5.003) 8.369 8.893 ( 10.133 12.896 8.860) 18.641 9.311 ( 0.834 2.175 0.943) 2.513 9.507 ( 0.008 -0.054 5.168) 5.168 9.640 ( 3.195 1.474 2.247) 4.175 9.769 ( -4.759 1.441 0.472) 4.994 9.969 ( 2.750 3.468 -2.454) 5.061 9.998 ( 2.086 11.398 -0.592) 11.602 10.274 ( 6.079 -2.687 -1.513) 6.817 10.316 ( -4.631 -4.123 1.797) 6.456 10.357 ( -6.863 -1.822 -6.165) 9.403 10.982 ( 2.324 5.694 5.486) 8.241 11.254 ( -2.576 1.550 -0.161) 3.011 11.909 ( 7.471 14.976 1.244) 16.783 12.186 ( -1.187 6.667 -3.094) 7.445 12.501 ( -1.288 -0.653 1.258) 1.915 12.676 ( -3.883 -2.455 -4.688) 6.564 14.987 ( 7.303 5.070 3.199) 9.448 15.388 ( -1.206 -0.915 1.464) 2.106 15.577 ( 2.263 3.819 11.460) 12.290 15.717 ( -16.189 3.266 3.539) 16.890 16.095 ( 4.135 2.092 7.805) 9.077 16.288 ( 14.206 14.094 3.437) 20.304 16.421 ( 0.711 6.943 -3.298) 7.719 16.716 ( -4.890 12.862 -7.180) 15.521 16.870 ( 10.652 -3.072 -10.128) 15.016 17.407 ( -12.281 -3.657 -14.013) 18.988 18.297 ( 20.506 -18.103 4.671) 27.750 18.684 ( -20.844 -13.942 6.521) 25.911 ======================= Grid point 226 (114/170) ======================= q-point: (-0.45 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -4.729 -3.353 1.347) 5.951 1.716 ( 8.785 -1.656 -2.548) 9.296 2.089 ( -7.628 9.432 -1.828) 12.267 2.206 ( 10.216 4.630 -0.413) 11.224 2.322 ( -7.530 -3.106 1.313) 8.251 2.415 ( 7.325 -3.208 5.401) 9.650 2.670 ( 0.635 11.256 1.151) 11.332 2.688 ( 2.797 4.224 3.343) 6.070 2.830 ( 0.508 1.126 2.662) 2.934 2.886 ( 0.658 -0.294 -1.203) 1.402 3.171 ( -3.749 -7.164 0.153) 8.087 3.316 ( 2.147 -3.087 7.101) 8.035 3.662 ( 0.250 0.557 -9.804) 9.823 3.883 ( -0.386 2.282 -12.387) 12.601 3.967 ( 0.643 -3.594 0.450) 3.678 3.979 ( -4.425 -1.306 -5.727) 7.354 4.389 ( -0.031 -5.345 2.277) 5.810 4.481 ( 2.869 -9.454 -1.624) 10.012 4.874 ( -1.736 2.658 0.971) 3.319 4.987 ( 6.267 -0.118 -1.401) 6.423 6.094 ( 1.975 -4.817 9.612) 10.931 6.301 ( -3.025 -6.191 -5.026) 8.529 6.645 ( -4.729 4.150 -1.238) 6.412 6.738 ( 3.767 5.010 -0.551) 6.293 6.887 ( -8.018 0.476 0.530) 8.050 7.071 ( 7.839 1.849 -1.440) 8.182 7.456 ( -1.092 -6.917 -0.600) 7.028 7.519 ( 6.901 -9.110 1.010) 11.473 7.839 ( -1.280 -8.664 4.886) 10.029 8.135 ( 0.255 -9.504 -8.873) 13.004 8.442 ( -2.779 8.822 -0.879) 9.291 8.524 ( 1.479 6.108 -3.337) 7.115 9.129 ( 4.685 11.336 7.742) 14.505 9.239 ( -5.324 6.990 -5.069) 10.143 9.525 ( -4.663 1.520 5.256) 7.189 9.693 ( -1.957 5.435 3.837) 6.935 9.744 ( 2.097 -0.173 1.120) 2.383 9.956 ( 1.580 4.893 -5.603) 7.604 10.004 ( -5.407 1.679 2.897) 6.360 10.192 ( 0.475 -1.725 -5.827) 6.096 10.252 ( -5.471 -0.391 0.900) 5.559 10.397 ( 7.321 -2.509 0.056) 7.739 11.073 ( -0.484 5.193 6.682) 8.476 11.212 ( 0.227 3.265 -2.915) 4.383 12.011 ( -3.070 12.372 0.166) 12.748 12.113 ( 2.010 12.288 -3.291) 12.879 12.505 ( -0.988 -2.916 2.560) 4.004 12.588 ( 0.465 -5.292 -3.221) 6.212 15.163 ( 6.288 5.326 6.580) 10.545 15.266 ( -9.574 7.613 -8.495) 14.892 15.563 ( -10.212 -0.957 13.091) 16.630 15.696 ( -2.489 3.045 8.786) 9.626 16.216 ( -1.735 -0.380 6.249) 6.496 16.364 ( -3.112 5.879 -0.776) 6.697 16.521 ( 1.328 8.958 -6.947) 11.413 16.618 ( 11.872 15.447 -3.641) 19.819 16.927 ( 4.773 -6.106 -3.280) 8.416 17.094 ( -1.622 0.767 -13.377) 13.497 18.351 ( -22.720 -13.600 3.057) 26.656 18.741 ( 22.841 -17.107 3.981) 28.813 ======================= Grid point 227 (115/170) ======================= q-point: (-0.36 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -2.936 -0.116 0.465) 2.975 1.783 ( -6.811 11.006 -5.002) 13.876 1.875 ( 1.525 3.427 -5.970) 7.051 2.284 ( 1.807 0.849 -2.463) 3.171 2.355 ( 4.737 -0.461 2.535) 5.393 2.601 ( 6.679 -5.094 4.337) 9.454 2.675 ( 1.832 8.887 -1.306) 9.168 2.707 ( -4.931 0.275 0.086) 4.939 2.844 ( 4.587 4.889 -1.266) 6.823 2.917 ( -2.233 1.617 3.800) 4.695 3.083 ( -3.733 -6.088 -0.370) 7.151 3.415 ( 4.273 -5.096 -0.578) 6.675 3.605 ( -0.619 1.114 -2.166) 2.513 3.793 ( 3.140 -0.390 -4.473) 5.479 3.900 ( 0.646 -1.423 1.542) 2.196 4.015 ( 0.100 -2.424 2.978) 3.841 4.445 ( 3.061 -5.941 2.215) 7.040 4.489 ( 0.018 -5.915 -1.417) 6.083 4.900 ( 4.433 2.968 0.446) 5.353 5.104 ( 9.704 -1.622 -1.681) 9.981 6.132 ( -3.679 -5.853 -3.257) 7.643 6.281 ( 2.287 -7.379 4.756) 9.072 6.563 ( -2.506 2.905 0.171) 3.840 6.757 ( -7.503 -0.132 0.819) 7.549 6.858 ( 6.956 6.175 3.534) 9.950 7.157 ( 5.203 1.197 -2.810) 6.033 7.450 ( 1.871 -7.204 -1.402) 7.574 7.637 ( 7.324 -7.835 -1.974) 10.906 7.885 ( -3.221 -10.762 8.443) 14.053 8.040 ( 0.371 -10.887 -8.274) 13.679 8.389 ( -2.758 8.273 0.343) 8.727 8.508 ( -0.145 6.101 -1.054) 6.193 8.980 ( -11.551 7.790 -8.923) 16.545 9.237 ( -4.276 6.904 3.141) 8.708 9.471 ( -6.141 1.729 1.594) 6.576 9.745 ( 1.139 10.551 6.202) 12.291 9.787 ( 3.111 2.036 -1.479) 4.001 9.879 ( -5.160 -3.631 -2.589) 6.820 9.930 ( -2.893 4.962 0.346) 5.754 10.129 ( -5.550 3.714 0.192) 6.681 10.282 ( 4.984 -2.179 3.547) 6.494 10.501 ( 6.441 -5.058 -1.853) 8.397 11.061 ( -3.820 4.352 -2.113) 6.164 11.235 ( 1.725 2.080 2.993) 4.033 11.833 ( -9.311 17.913 -4.625) 20.712 12.176 ( 3.103 5.668 1.048) 6.547 12.513 ( 0.663 -4.961 0.970) 5.098 12.635 ( 3.903 -2.646 1.933) 5.096 14.982 ( -14.113 9.963 -4.798) 17.930 15.274 ( -3.380 3.928 5.419) 7.498 15.591 ( -2.640 -4.409 8.097) 9.590 15.728 ( -5.658 8.090 9.340) 13.590 16.119 ( -6.537 3.816 -3.201) 8.218 16.335 ( -4.202 1.004 -8.604) 9.628 16.369 ( -1.212 -5.461 -2.167) 5.999 16.721 ( 3.922 7.904 -5.091) 10.187 17.023 ( 12.548 17.307 -6.603) 22.374 17.152 ( 10.127 -4.574 8.115) 13.759 17.982 ( -23.229 -12.043 -0.481) 26.170 19.144 ( 21.654 -17.431 1.389) 27.833 ======================= Grid point 228 (116/170) ======================= q-point: (-0.27 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -9.613 10.978 -0.767) 14.612 1.512 ( -12.381 10.952 -3.123) 16.822 1.957 ( 9.428 4.101 -5.674) 11.743 2.199 ( -0.283 2.734 -11.854) 12.168 2.460 ( -0.038 -4.676 5.153) 6.959 2.570 ( -9.021 12.167 4.458) 15.789 2.633 ( -4.582 2.722 -5.214) 7.456 2.744 ( 4.583 -2.059 1.298) 5.189 2.944 ( 3.180 0.223 3.524) 4.752 2.962 ( 9.210 -1.815 0.763) 9.418 3.109 ( 4.869 -6.477 0.821) 8.144 3.441 ( 3.678 -6.973 -3.106) 8.473 3.599 ( 0.890 0.981 1.817) 2.249 3.874 ( 4.724 -3.101 1.871) 5.952 3.962 ( 2.122 -1.216 3.919) 4.620 4.048 ( -0.636 -0.951 3.832) 3.999 4.449 ( -2.469 -3.549 -0.610) 4.366 4.511 ( 1.065 -3.901 1.254) 4.234 5.028 ( 9.691 1.879 0.804) 9.904 5.263 ( 12.340 -3.681 -2.617) 13.141 6.032 ( -1.246 -5.300 -5.259) 7.570 6.318 ( -2.479 -4.357 0.674) 5.057 6.580 ( 0.827 -1.998 2.401) 3.231 6.702 ( -0.220 -2.921 3.349) 4.449 7.023 ( 6.305 5.448 5.322) 9.887 7.182 ( 2.832 0.275 -4.188) 5.063 7.485 ( 4.291 -8.092 -1.736) 9.322 7.692 ( 3.012 -6.982 -4.703) 8.941 7.877 ( -5.410 -8.099 3.357) 10.302 7.984 ( -2.540 -10.739 0.542) 11.049 8.378 ( -1.763 6.645 4.449) 8.189 8.511 ( 0.063 4.558 1.429) 4.778 8.689 ( -9.877 7.400 -7.466) 14.424 9.090 ( -11.705 1.543 -2.785) 12.130 9.401 ( -3.737 3.132 1.122) 5.003 9.726 ( -2.276 5.572 -6.452) 8.824 9.768 ( -5.330 -2.962 -1.431) 6.263 9.825 ( -2.884 11.175 2.063) 11.724 9.943 ( 1.419 3.115 3.245) 4.717 10.098 ( 1.401 3.206 2.546) 4.327 10.390 ( 0.638 -1.156 5.871) 6.017 10.584 ( 6.924 -7.401 -1.611) 10.263 10.937 ( -5.382 3.735 -5.255) 8.398 11.291 ( -0.587 -1.099 4.605) 4.771 11.667 ( -5.074 17.899 -3.562) 18.942 12.249 ( 4.310 3.037 2.284) 5.746 12.545 ( 1.652 -3.642 0.238) 4.006 12.711 ( 1.893 -1.434 2.219) 3.250 14.716 ( -15.635 8.879 1.070) 18.012 15.164 ( -11.503 4.255 -0.434) 12.273 15.559 ( -8.593 -1.397 0.377) 8.714 15.720 ( -4.849 5.087 5.068) 8.665 16.047 ( 0.670 -4.699 -1.346) 4.933 16.235 ( 0.907 4.110 -0.044) 4.209 16.319 ( 0.455 -5.375 -6.391) 8.363 16.714 ( 1.729 5.626 -3.983) 7.107 17.120 ( 11.341 13.826 -11.880) 21.469 17.476 ( 7.315 7.205 12.503) 16.179 17.615 ( -18.182 -13.677 5.659) 23.445 19.466 ( 17.967 -17.599 -2.872) 25.314 ======================= Grid point 229 (117/170) ======================= q-point: (-0.18 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -8.985 16.504 2.716) 18.987 1.336 ( -11.009 10.822 4.843) 16.179 1.976 ( 2.028 3.472 -6.376) 7.538 2.114 ( 5.233 3.740 -12.232) 13.820 2.360 ( -15.411 18.369 8.799) 25.541 2.508 ( 0.884 1.601 -6.339) 6.597 2.610 ( 1.383 -2.048 5.721) 6.232 2.826 ( 3.679 -1.745 0.515) 4.105 3.001 ( 3.606 -0.368 -1.772) 4.034 3.107 ( 4.913 -8.609 0.956) 9.958 3.219 ( 7.185 -4.942 -2.428) 9.052 3.514 ( 5.556 -8.091 2.732) 10.189 3.687 ( 3.210 -0.137 7.158) 7.846 3.913 ( 2.037 -1.698 -2.569) 3.692 4.034 ( 0.159 -2.161 0.435) 2.211 4.106 ( 1.506 0.573 8.333) 8.488 4.391 ( -4.877 0.781 0.826) 5.008 4.506 ( -1.595 -4.272 -0.990) 4.666 5.207 ( 10.405 -0.701 0.218) 10.431 5.434 ( 12.101 -6.589 -4.027) 14.355 5.993 ( 2.445 -4.655 -3.232) 6.172 6.253 ( -3.962 -2.562 -1.236) 4.878 6.592 ( 1.316 -2.435 -2.534) 3.753 6.804 ( 4.771 -8.220 3.556) 10.148 7.147 ( 4.203 5.086 -1.495) 6.765 7.191 ( 2.793 -2.234 1.314) 3.810 7.522 ( 1.218 -8.394 -3.259) 9.087 7.637 ( -1.612 -3.077 -2.729) 4.418 7.791 ( -10.563 -4.604 2.223) 11.735 7.937 ( -4.485 -8.076 1.734) 9.400 8.379 ( -3.509 3.872 3.774) 6.446 8.522 ( -1.716 3.619 6.784) 7.879 8.628 ( 2.773 2.536 4.203) 5.638 8.879 ( -6.490 0.673 -4.582) 7.973 9.366 ( -2.422 1.600 0.735) 2.995 9.603 ( -2.546 3.643 -6.538) 7.906 9.644 ( -6.471 -1.096 -3.752) 7.560 9.768 ( -2.474 9.929 -1.306) 10.315 9.973 ( -1.487 1.973 1.278) 2.781 10.163 ( 0.157 5.476 2.089) 5.863 10.481 ( 4.902 -2.873 6.127) 8.356 10.675 ( 1.916 -3.800 -0.714) 4.315 10.813 ( -2.235 -0.288 -0.252) 2.268 11.305 ( -2.646 -5.707 1.624) 6.497 11.576 ( -2.372 16.651 -1.850) 16.920 12.359 ( 5.419 6.053 0.396) 8.134 12.561 ( 0.059 -4.121 0.652) 4.173 12.750 ( 1.727 -0.659 0.477) 1.909 14.479 ( -18.775 7.138 6.619) 21.148 14.975 ( -6.692 3.940 -2.911) 8.294 15.374 ( -8.741 2.759 -4.789) 10.342 15.693 ( -4.175 -3.374 3.917) 6.646 16.060 ( 1.397 -7.976 -0.486) 8.112 16.228 ( 3.604 -2.380 -11.599) 12.377 16.328 ( 0.976 3.981 4.507) 6.092 16.692 ( 0.465 3.503 -3.691) 5.109 17.055 ( -3.281 3.333 -12.005) 12.884 17.354 ( -3.779 14.148 -0.420) 14.650 17.898 ( 7.079 -4.006 24.528) 25.842 19.659 ( 12.569 -17.502 -7.894) 22.948 ======================= Grid point 230 (118/170) ======================= q-point: (-0.09 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 266 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -6.197 17.209 4.956) 18.950 1.304 ( -3.374 10.039 12.678) 16.519 1.918 ( 1.385 7.316 -11.100) 13.366 2.059 ( -1.555 4.299 -0.801) 4.641 2.279 ( -2.357 14.699 5.760) 15.963 2.504 ( 3.442 7.000 -2.688) 8.251 2.690 ( 0.903 -3.471 4.408) 5.683 2.885 ( 3.225 -2.068 0.264) 3.840 3.013 ( 0.534 -3.939 -2.867) 4.901 3.158 ( 1.457 -7.280 -1.828) 7.646 3.264 ( 2.774 -7.312 -1.338) 7.934 3.623 ( 1.931 -7.385 2.116) 7.921 3.835 ( 4.206 0.376 7.283) 8.419 3.923 ( 2.966 3.760 -2.651) 5.474 4.021 ( -1.455 -4.199 1.323) 4.636 4.225 ( 1.222 2.240 7.281) 7.715 4.304 ( -6.077 1.515 0.016) 6.263 4.456 ( -2.016 -3.860 -1.571) 4.629 5.351 ( 6.940 -3.631 -0.728) 7.866 5.542 ( 6.961 -8.961 -5.533) 12.624 6.035 ( 4.721 -5.194 -0.944) 7.082 6.177 ( -3.394 -3.018 -1.145) 4.684 6.579 ( 4.171 -2.971 -6.841) 8.546 6.836 ( -2.301 -7.956 -3.638) 9.046 7.222 ( 6.596 2.834 -1.675) 7.372 7.236 ( 0.977 -1.261 0.059) 1.596 7.438 ( -6.333 0.091 2.418) 6.780 7.591 ( -5.997 -3.917 -1.312) 7.282 7.670 ( 0.232 -4.114 0.538) 4.155 7.866 ( -6.473 -7.830 1.410) 10.257 8.444 ( 1.894 0.528 9.405) 9.608 8.561 ( -2.124 -0.534 7.218) 7.543 8.777 ( -0.274 0.675 10.787) 10.812 8.822 ( 6.551 0.474 -2.412) 6.997 9.305 ( -3.404 -0.515 -3.568) 4.958 9.454 ( -6.710 -4.366 -8.161) 11.432 9.553 ( 0.794 7.617 -1.108) 7.738 9.754 ( 1.713 7.053 0.121) 7.259 9.927 ( -3.461 3.501 -1.249) 5.079 10.147 ( -2.717 3.786 0.529) 4.690 10.586 ( -5.831 3.672 -2.242) 7.246 10.687 ( 9.160 -3.063 7.048) 11.957 10.898 ( 4.901 -8.546 4.454) 10.812 11.222 ( -6.106 -7.144 -2.507) 9.727 11.554 ( -0.361 14.462 1.741) 14.571 12.348 ( -0.927 6.224 -9.569) 11.453 12.601 ( -0.687 -1.045 6.811) 6.925 12.799 ( 5.286 0.337 -2.123) 5.707 14.266 ( -17.183 7.113 10.377) 21.296 14.898 ( 0.853 -0.056 -4.528) 4.607 15.221 ( -2.752 4.631 -2.939) 6.136 15.682 ( -3.441 -7.225 5.781) 9.872 16.056 ( 0.878 -7.933 -6.096) 10.043 16.144 ( 2.466 -4.787 -11.392) 12.600 16.328 ( -4.997 3.324 0.720) 6.044 16.597 ( -2.897 -1.446 -7.436) 8.110 16.967 ( 2.411 8.947 1.033) 9.324 17.329 ( 0.272 21.522 -2.731) 21.696 18.280 ( 4.449 -6.005 26.323) 27.363 19.697 ( 6.139 -17.020 -12.981) 22.268 ======================= Grid point 231 (119/170) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 3.739 17.066 0.644) 17.483 1.633 ( 5.053 9.664 3.341) 11.406 2.023 ( -0.457 10.607 -5.426) 11.923 2.149 ( 0.560 3.114 0.503) 3.204 2.333 ( 1.564 -7.689 0.332) 7.854 2.558 ( -2.297 -9.956 -7.779) 12.842 2.760 ( -4.039 5.035 1.755) 6.689 2.772 ( 3.708 -1.517 -2.853) 4.918 2.969 ( -5.932 -0.906 2.255) 6.411 3.083 ( 4.977 1.989 -0.913) 5.437 3.132 ( 1.858 -8.919 6.535) 11.212 3.432 ( -2.248 -8.816 -3.051) 9.597 4.003 ( -1.829 1.049 7.581) 7.869 4.014 ( 4.150 1.802 2.254) 5.055 4.052 ( -0.620 5.343 3.549) 6.444 4.219 ( -3.014 -0.018 -1.573) 3.400 4.367 ( -0.721 3.147 4.388) 5.448 4.410 ( -0.738 1.416 2.186) 2.707 5.289 ( 0.821 -4.942 -3.326) 6.013 5.343 ( 0.731 -8.255 -5.274) 9.823 5.986 ( 2.099 -4.198 0.191) 4.697 6.014 ( -2.904 -4.396 -1.095) 5.381 6.545 ( 2.846 -2.475 -5.014) 6.274 6.567 ( -4.388 -3.630 -5.693) 8.053 7.278 ( -0.723 4.068 1.866) 4.534 7.338 ( -1.190 0.569 -0.591) 1.446 7.406 ( 3.860 -1.490 2.516) 4.842 7.482 ( 1.634 -2.655 -1.080) 3.299 7.584 ( -2.571 -4.766 1.672) 5.667 7.630 ( 0.256 -6.719 0.009) 6.724 8.586 ( -0.580 2.013 9.075) 9.313 8.662 ( 3.448 0.149 11.848) 12.341 8.861 ( 3.194 0.207 3.937) 5.074 8.900 ( 2.239 -1.018 1.230) 2.750 9.145 ( -5.276 -3.220 -10.035) 11.786 9.182 ( -2.394 -2.567 -7.481) 8.263 9.747 ( 2.836 4.395 1.897) 5.564 9.812 ( -0.552 1.072 -0.077) 1.208 10.016 ( 0.942 4.509 -0.225) 4.612 10.120 ( -0.708 -0.510 -2.165) 2.334 10.585 ( -6.260 5.678 0.309) 8.457 10.771 ( 4.846 -0.748 -5.371) 7.272 10.884 ( 0.319 -5.273 4.910) 7.212 10.994 ( 3.035 -7.394 3.298) 8.646 11.887 ( -0.654 14.054 4.431) 14.750 12.232 ( -4.005 -0.118 -7.729) 8.706 12.724 ( -0.164 3.403 4.668) 5.779 12.836 ( 1.070 -1.536 0.087) 1.874 14.393 ( -2.995 10.956 7.367) 13.538 14.784 ( 2.917 -4.807 -8.351) 10.068 15.360 ( 1.423 5.331 5.158) 7.553 15.536 ( -3.696 -5.898 6.461) 9.497 15.799 ( -0.078 -5.194 -11.459) 12.581 15.911 ( 1.406 -8.328 -7.621) 11.376 16.290 ( -4.808 3.571 -0.937) 6.062 16.468 ( 2.690 -3.900 -6.795) 8.284 17.374 ( 3.493 14.722 10.564) 18.453 17.669 ( -0.222 10.725 0.096) 10.728 18.509 ( 0.267 1.778 14.125) 14.239 19.186 ( -0.790 -20.217 -14.013) 24.612 ======================= Grid point 232 (120/170) ======================= q-point: ( 0.09 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 6.273 15.131 0.666) 16.393 1.707 ( 6.484 8.845 -8.325) 13.769 1.961 ( -3.481 10.139 1.798) 10.870 2.176 ( 5.722 1.142 -3.546) 6.828 2.328 ( -6.442 -6.513 -1.057) 9.221 2.476 ( 1.487 -10.588 -1.833) 10.848 2.674 ( -5.607 1.599 -0.087) 5.831 2.779 ( -3.767 -4.222 0.769) 5.710 2.926 ( -1.098 3.937 3.173) 5.174 3.119 ( 1.402 -1.452 -1.781) 2.691 3.258 ( 1.544 -7.043 9.149) 11.649 3.316 ( -4.298 -6.960 -6.365) 10.365 3.954 ( -6.375 4.654 -0.852) 7.939 4.083 ( -2.578 4.788 -0.062) 5.438 4.099 ( 2.255 0.008 5.795) 6.218 4.208 ( 2.026 1.472 1.167) 2.763 4.383 ( -2.193 1.467 3.813) 4.637 4.416 ( -1.473 1.644 1.526) 2.683 5.230 ( -3.926 -5.168 -1.964) 6.781 5.277 ( -2.211 -7.677 -3.844) 8.866 5.979 ( -0.458 -2.608 -0.735) 2.747 6.041 ( 3.644 -4.364 0.848) 5.749 6.403 ( -5.406 -0.818 -2.584) 6.047 6.565 ( 0.792 -7.414 -0.855) 7.505 7.192 ( -5.510 3.196 1.164) 6.475 7.330 ( -3.398 -3.196 -0.797) 4.733 7.497 ( -0.998 -0.738 -0.152) 1.250 7.536 ( 8.872 1.760 0.780) 9.078 7.591 ( 2.910 -4.089 -0.477) 5.042 7.721 ( 10.170 -6.186 0.704) 11.925 8.634 ( -3.301 3.462 5.456) 7.256 8.825 ( -2.261 -2.071 4.448) 5.402 8.928 ( 3.543 1.353 -3.740) 5.326 8.985 ( 4.416 0.262 -0.189) 4.428 9.036 ( 6.413 -2.982 3.778) 8.018 9.089 ( 1.439 -3.185 -6.492) 7.373 9.747 ( -1.575 4.341 -0.407) 4.636 9.854 ( 1.838 0.103 0.042) 1.841 10.038 ( 2.146 3.901 -0.316) 4.463 10.109 ( 2.202 0.950 -1.553) 2.857 10.501 ( -5.482 2.644 3.500) 7.021 10.744 ( -1.541 -5.376 -3.451) 6.572 10.862 ( -2.633 2.590 -0.066) 3.694 11.144 ( 7.845 -6.967 -0.403) 10.500 11.994 ( 4.600 10.610 9.295) 14.837 12.123 ( 1.411 4.964 -6.798) 8.534 12.718 ( -5.347 2.913 2.436) 6.558 12.814 ( -3.079 -2.116 -0.484) 3.767 14.513 ( 6.068 8.994 7.944) 13.446 14.777 ( 8.074 -2.739 -9.088) 12.461 15.423 ( -1.981 2.156 3.254) 4.378 15.591 ( 3.654 0.431 3.753) 5.256 15.707 ( 1.196 -6.361 -3.644) 7.428 15.893 ( 6.081 -7.146 -5.725) 10.991 16.266 ( 0.377 1.200 3.538) 3.754 16.468 ( 5.544 -5.837 -5.662) 9.842 17.498 ( -1.976 17.234 6.048) 18.371 17.605 ( -2.231 16.669 -4.376) 17.377 18.651 ( -4.874 -8.546 17.233) 19.843 18.954 ( -6.628 -17.487 -16.074) 24.660 ======================= Grid point 233 (121/170) ======================= q-point: ( 0.18 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 2.365 8.158 -7.157) 11.108 1.740 ( 6.311 8.195 -6.675) 12.310 1.949 ( 0.467 7.942 0.985) 8.016 2.144 ( -9.282 -0.670 -4.215) 10.216 2.270 ( 5.385 2.440 2.648) 6.478 2.482 ( -4.908 -5.747 3.453) 8.309 2.610 ( 0.264 -3.258 -0.961) 3.407 2.730 ( -5.722 -6.322 5.887) 10.361 2.934 ( -1.327 5.543 -0.545) 5.726 3.110 ( -0.570 -2.581 -0.561) 2.702 3.169 ( -4.397 -5.460 -6.744) 9.728 3.348 ( -1.667 -8.451 5.494) 10.217 3.846 ( -5.310 5.945 0.739) 8.006 3.990 ( -4.532 4.911 -3.466) 7.528 4.181 ( -1.012 -3.640 5.059) 6.314 4.246 ( 3.811 0.682 -4.777) 6.149 4.396 ( 0.119 1.852 2.491) 3.106 4.404 ( -1.461 -0.532 1.123) 1.918 5.137 ( -6.149 -3.639 0.910) 7.203 5.194 ( -4.009 -5.993 -1.802) 7.432 5.944 ( -2.583 1.312 -1.456) 3.242 6.116 ( 3.635 -3.714 1.828) 5.509 6.390 ( 4.181 -2.439 1.644) 5.112 6.561 ( -1.284 -9.642 2.285) 9.992 7.142 ( -3.406 2.683 2.022) 4.784 7.254 ( -3.164 -2.652 -2.630) 4.895 7.440 ( -3.570 -0.396 -1.323) 3.827 7.550 ( -2.376 -3.209 0.110) 3.995 7.801 ( 14.844 1.394 1.197) 14.957 7.894 ( 9.529 -3.355 -1.423) 10.202 8.624 ( -1.816 2.798 1.782) 3.782 8.722 ( -1.089 -0.697 -6.886) 7.006 8.922 ( 0.852 2.087 -3.948) 4.546 9.016 ( 1.706 -4.444 -6.333) 7.923 9.176 ( 7.030 1.927 5.255) 8.986 9.254 ( 9.083 -1.440 7.018) 11.568 9.737 ( 1.683 5.698 -0.875) 6.005 9.843 ( 0.301 2.964 -1.312) 3.255 10.086 ( 3.694 2.839 -1.101) 4.787 10.144 ( 1.146 -1.667 2.307) 3.068 10.490 ( -1.841 -0.214 3.543) 3.999 10.628 ( -8.757 -6.968 -0.649) 11.210 10.852 ( 3.425 8.405 -2.429) 9.395 11.216 ( 4.017 -7.089 -3.293) 8.789 12.110 ( 4.498 10.802 -4.823) 12.656 12.220 ( 7.502 7.664 9.691) 14.455 12.612 ( -8.236 1.465 -0.661) 8.391 12.751 ( -3.317 -3.971 0.064) 5.175 14.724 ( 8.957 5.019 4.996) 11.418 14.847 ( 10.773 -1.004 -5.246) 12.024 15.398 ( -2.653 5.703 2.558) 6.790 15.707 ( 7.179 3.751 -1.224) 8.192 15.751 ( 2.138 -5.683 6.210) 8.685 15.976 ( 9.277 -3.241 -3.568) 10.454 16.389 ( 8.541 -4.325 3.991) 10.372 16.532 ( 8.229 -7.291 -1.375) 11.080 17.357 ( -8.321 20.247 -9.540) 23.879 17.597 ( -2.512 14.864 4.163) 15.639 18.604 ( -11.884 -13.566 -14.070) 22.874 18.736 ( -9.454 -14.447 14.147) 22.321 ======================= Grid point 234 (122/170) ======================= q-point: ( 0.27 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 2.909 6.749 -4.116) 8.424 1.750 ( 5.596 3.347 -5.292) 8.398 1.938 ( -4.240 2.732 -2.324) 5.554 1.982 ( -5.200 5.085 0.265) 7.277 2.391 ( -4.304 2.816 2.927) 5.919 2.418 ( 1.962 -2.258 5.661) 6.402 2.651 ( 0.221 -2.499 3.018) 3.924 2.712 ( -2.851 -8.186 5.287) 10.154 2.875 ( -3.970 4.964 -1.241) 6.477 3.018 ( -4.878 -5.635 -5.545) 9.290 3.095 ( -1.098 1.744 -0.412) 2.102 3.317 ( -4.405 -8.046 -0.352) 9.180 3.818 ( -0.608 3.101 2.471) 4.012 3.894 ( -1.599 3.794 -3.907) 5.676 4.175 ( -3.149 -5.334 1.183) 6.306 4.219 ( 1.481 -1.719 -7.204) 7.553 4.386 ( -1.147 -1.072 -0.922) 1.821 4.435 ( 2.047 -0.003 -0.714) 2.168 5.057 ( -5.990 -1.430 2.674) 6.714 5.103 ( -5.055 -3.458 -1.177) 6.236 5.891 ( -2.040 2.909 0.029) 3.553 6.190 ( 2.815 -6.460 1.011) 7.119 6.507 ( 5.602 -2.923 2.362) 6.746 6.618 ( 3.986 -5.751 4.927) 8.558 7.103 ( -4.601 2.101 2.290) 5.552 7.170 ( -3.187 -0.660 -2.803) 4.296 7.363 ( -3.098 0.612 -2.270) 3.889 7.502 ( -3.101 -3.787 -0.251) 4.901 7.938 ( 3.226 -0.014 -5.919) 6.741 8.036 ( 8.899 -3.133 -0.795) 9.468 8.636 ( 5.182 5.290 -1.294) 7.518 8.718 ( 1.972 5.004 0.488) 5.401 8.875 ( -0.766 3.116 -4.878) 5.839 8.973 ( 5.446 -6.346 -6.350) 10.501 9.324 ( 3.663 1.792 5.139) 6.560 9.447 ( 5.950 -1.872 4.641) 7.774 9.792 ( 4.998 6.682 0.760) 8.379 9.900 ( 5.349 4.836 2.993) 7.807 10.107 ( 0.972 -0.126 -2.430) 2.620 10.190 ( -0.213 -3.628 3.713) 5.196 10.434 ( -4.989 1.066 -3.480) 6.175 10.527 ( -3.315 -4.026 0.569) 5.246 10.910 ( 4.226 7.651 1.182) 8.820 11.231 ( 1.620 -5.952 -1.418) 6.329 12.122 ( 3.087 13.623 -4.563) 14.695 12.403 ( 1.866 8.856 3.600) 9.740 12.468 ( -4.434 -2.820 -1.134) 5.376 12.727 ( -0.170 -5.134 0.549) 5.166 14.868 ( 7.066 4.190 -0.738) 8.248 15.041 ( 12.213 -1.878 4.028) 12.997 15.403 ( -3.462 6.663 6.338) 9.825 15.766 ( -1.481 -7.430 4.139) 8.633 15.940 ( 15.064 10.451 1.863) 18.429 16.098 ( 9.929 2.345 -3.149) 10.677 16.546 ( 9.689 -4.878 -3.284) 11.334 16.757 ( 13.078 -8.929 6.516) 17.123 17.086 ( -9.208 17.875 -10.742) 22.797 17.573 ( -3.605 9.503 1.370) 10.255 18.211 ( -15.113 -7.916 -14.615) 22.465 18.703 ( -14.147 -17.383 13.317) 26.069 ======================= Grid point 235 (123/170) ======================= q-point: ( 0.36 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.489 2.833 -4.448) 5.297 1.787 ( -9.836 -0.292 -2.597) 10.177 1.867 ( 10.469 3.872 2.863) 11.524 1.991 ( 3.394 4.755 4.501) 7.375 2.296 ( -5.609 -1.242 0.546) 5.771 2.541 ( -3.066 2.051 5.300) 6.458 2.619 ( -1.229 -7.272 1.934) 7.625 2.778 ( -5.013 -0.038 4.266) 6.582 2.818 ( 3.173 2.761 2.673) 4.984 2.894 ( -3.675 -1.974 -3.091) 5.192 3.087 ( -0.250 4.400 2.344) 4.992 3.241 ( -2.858 -5.678 -1.895) 6.633 3.845 ( 1.220 1.874 -4.338) 4.880 3.859 ( 2.740 -0.882 -0.063) 2.879 4.109 ( -0.814 -3.270 -7.526) 8.246 4.167 ( -1.827 -6.086 0.055) 6.354 4.326 ( -2.228 -0.356 -5.716) 6.145 4.417 ( -0.942 -2.857 -4.606) 5.501 4.996 ( -4.968 0.071 2.412) 5.523 5.010 ( -4.005 -0.895 -1.099) 4.249 5.887 ( -0.055 2.513 2.313) 3.416 6.223 ( 0.837 -10.265 -0.479) 10.310 6.626 ( 5.644 1.157 2.394) 6.239 6.757 ( 5.947 -2.402 2.623) 6.930 7.042 ( -5.613 1.948 2.536) 6.460 7.092 ( -4.318 -0.121 0.041) 4.320 7.297 ( -1.473 1.086 -2.349) 2.978 7.449 ( -2.668 -3.644 -0.519) 4.546 7.873 ( -0.264 1.258 -8.054) 8.156 8.084 ( 2.719 -7.789 -6.262) 10.357 8.672 ( 0.523 5.954 -3.930) 7.153 8.745 ( -0.514 5.297 -6.273) 8.226 8.876 ( 10.302 8.553 4.959) 14.279 9.126 ( 10.542 -4.516 4.852) 12.453 9.420 ( 1.047 0.688 5.815) 5.948 9.560 ( 2.854 -2.183 3.270) 4.858 9.870 ( 1.696 5.178 -0.899) 5.523 10.034 ( 2.602 5.554 3.348) 6.988 10.091 ( 4.499 -0.674 -1.517) 4.796 10.196 ( -3.185 -5.351 1.531) 6.412 10.336 ( -2.057 3.465 -3.440) 5.298 10.461 ( -3.125 -1.636 -2.762) 4.480 11.006 ( 3.909 6.724 3.519) 8.537 11.246 ( 0.211 -3.626 1.411) 3.897 12.125 ( 2.369 11.994 -1.904) 12.373 12.327 ( -3.042 2.969 -1.785) 4.611 12.498 ( 1.566 1.407 -1.153) 2.400 12.723 ( -0.837 -3.817 -1.684) 4.255 14.988 ( 6.909 7.559 2.338) 10.504 15.279 ( 7.513 -4.053 5.814) 10.328 15.433 ( -1.409 4.403 9.290) 10.377 15.760 ( -4.652 -8.876 4.325) 10.915 16.193 ( 5.176 9.435 -0.292) 10.765 16.278 ( 21.913 12.079 -1.719) 25.081 16.658 ( 8.648 -1.699 -3.931) 9.651 16.767 ( -6.579 14.703 -10.201) 19.066 17.044 ( 3.912 -2.645 1.064) 4.841 17.582 ( 6.835 -10.148 1.869) 12.377 17.805 ( -16.603 2.758 -10.095) 19.626 18.566 ( -17.497 -18.670 9.115) 27.163 ======================= Grid point 236 (124/170) ======================= q-point: ( 0.45 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -2.788 -1.002 -2.258) 3.725 1.607 ( -1.825 -0.386 -4.530) 4.899 2.116 ( 11.375 2.356 6.132) 13.136 2.144 ( 5.469 5.561 6.202) 9.965 2.247 ( -1.928 -4.365 2.188) 5.249 2.442 ( -7.276 0.995 0.169) 7.346 2.651 ( -0.709 -3.934 2.492) 4.710 2.740 ( -2.103 -1.321 0.854) 2.626 2.856 ( 0.758 4.829 1.158) 5.023 2.907 ( 1.872 2.203 1.690) 3.348 3.146 ( -1.408 2.200 3.026) 3.997 3.194 ( -0.968 -0.721 6.714) 6.822 3.812 ( 1.946 2.074 -8.226) 8.704 3.890 ( 1.890 -1.814 -1.604) 3.072 3.997 ( -0.730 -1.793 -8.806) 9.016 4.162 ( -3.059 -10.245 0.071) 10.692 4.181 ( -0.419 0.698 -9.971) 10.004 4.320 ( -3.195 -6.151 -4.638) 8.340 4.951 ( -2.629 1.390 1.345) 3.264 4.961 ( -1.063 0.310 -0.160) 1.119 5.937 ( 1.218 0.989 4.644) 4.902 6.208 ( -0.792 -10.144 -2.130) 10.396 6.735 ( 4.552 4.402 1.668) 6.549 6.811 ( -2.416 0.668 0.142) 2.511 7.009 ( -4.021 -0.465 -0.194) 4.052 7.039 ( -0.065 1.613 4.507) 4.787 7.278 ( 1.170 -0.967 -0.154) 1.526 7.406 ( -1.382 -3.055 -1.237) 3.574 7.782 ( -0.049 0.604 -6.891) 6.918 8.022 ( 1.022 -9.349 -9.378) 13.281 8.638 ( -0.447 5.309 -2.194) 5.762 8.669 ( 0.272 4.510 -4.778) 6.577 9.144 ( 10.849 10.327 7.447) 16.728 9.331 ( 4.689 -0.438 5.984) 7.615 9.504 ( 0.366 0.306 7.402) 7.418 9.627 ( 1.924 -2.529 2.501) 4.044 9.794 ( -6.331 2.434 -1.461) 6.938 10.081 ( 1.797 6.164 -2.056) 6.741 10.091 ( -3.151 -10.103 -3.859) 11.264 10.228 ( 2.197 8.625 1.389) 9.009 10.266 ( 0.924 -1.425 -2.767) 3.246 10.389 ( -2.564 1.098 -1.218) 3.044 11.107 ( 2.400 5.893 4.853) 8.002 11.263 ( -0.418 -0.856 1.531) 1.803 12.167 ( 2.959 8.597 1.287) 9.183 12.320 ( 2.747 4.441 0.612) 5.258 12.466 ( -1.047 -0.213 -4.607) 4.729 12.640 ( -4.918 -1.920 -4.621) 7.016 15.143 ( 6.344 8.920 5.281) 12.153 15.364 ( -1.539 -1.180 4.871) 5.243 15.592 ( 1.928 -1.039 10.636) 10.859 15.730 ( -4.715 -3.980 5.791) 8.462 16.177 ( -3.975 9.136 -1.850) 10.134 16.539 ( 7.585 2.601 -11.540) 14.052 16.654 ( 10.972 8.710 -5.898) 15.200 16.777 ( 5.720 8.756 3.523) 11.036 16.950 ( -5.063 2.182 -7.078) 8.972 17.454 ( -11.971 8.713 -8.533) 17.089 17.882 ( 18.015 -18.765 8.233) 27.284 18.341 ( -18.374 -18.483 4.205) 26.399 ======================= Grid point 237 (125/170) ======================= q-point: (-0.45 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.730 2.068 -1.107) 2.456 1.669 ( 11.321 -3.154 -4.524) 12.593 2.216 ( -4.240 -4.550 3.101) 6.950 2.258 ( 0.232 -3.154 1.784) 3.631 2.317 ( 1.447 10.323 2.797) 10.792 2.384 ( 4.633 4.510 1.001) 6.543 2.683 ( -2.598 -2.997 1.984) 4.435 2.733 ( 3.383 -4.911 1.252) 6.094 2.882 ( 1.019 -0.188 -1.280) 1.647 2.902 ( -0.912 0.877 -3.916) 4.115 3.153 ( -1.986 7.338 9.816) 12.416 3.329 ( -0.511 2.851 11.676) 12.030 3.687 ( -0.592 2.848 -12.454) 12.789 3.910 ( -0.692 0.149 -4.402) 4.459 3.923 ( 1.420 -0.399 -0.246) 1.495 3.950 ( -2.147 -2.056 -13.840) 14.155 4.230 ( 3.492 -9.509 0.759) 10.158 4.251 ( 0.226 -9.882 -1.507) 9.999 4.935 ( -0.478 2.612 0.896) 2.803 4.984 ( 3.525 -0.244 0.128) 3.535 6.021 ( 1.353 -1.524 5.829) 6.175 6.153 ( -1.543 -6.858 -3.800) 7.991 6.712 ( -7.953 2.675 2.193) 8.673 6.812 ( -0.202 0.267 -0.421) 0.538 6.934 ( -3.075 5.179 3.684) 7.060 7.134 ( 6.347 2.151 -1.099) 6.791 7.325 ( 2.389 -4.989 1.515) 5.735 7.385 ( 1.565 -3.546 -0.893) 3.977 7.730 ( 0.323 -1.601 -2.783) 3.227 7.925 ( 0.845 -9.323 -10.155) 13.811 8.598 ( -2.166 5.675 -1.122) 6.177 8.640 ( -0.013 3.864 -2.195) 4.443 9.323 ( -1.660 6.697 3.053) 7.545 9.375 ( -0.804 5.128 0.414) 5.207 9.544 ( -5.119 1.276 5.498) 7.619 9.708 ( 4.375 -3.453 1.234) 5.709 9.747 ( -1.174 1.515 8.003) 8.229 9.929 ( -5.975 -3.840 -3.993) 8.148 10.129 ( 2.009 2.686 -5.011) 6.030 10.150 ( 0.965 2.347 -3.456) 4.288 10.315 ( -3.547 3.519 1.088) 5.113 10.377 ( 3.765 0.194 0.623) 3.821 11.181 ( -0.679 4.773 4.805) 6.807 11.262 ( -0.069 1.311 -0.717) 1.496 12.239 ( 1.885 8.276 2.388) 8.817 12.332 ( -1.875 7.509 -5.072) 9.253 12.442 ( 0.800 -3.016 1.566) 3.491 12.492 ( -2.838 -2.872 -3.699) 5.476 15.290 ( 2.880 5.565 5.303) 8.209 15.378 ( -0.108 1.509 -0.304) 1.543 15.590 ( -13.365 4.656 8.918) 16.728 15.765 ( -2.003 3.065 7.429) 8.282 16.150 ( -0.264 -2.216 5.534) 5.967 16.426 ( -3.472 -2.576 -12.640) 13.359 16.614 ( -9.627 0.785 -6.321) 11.543 16.743 ( 4.662 -3.382 -5.149) 7.726 17.105 ( 7.861 20.090 3.467) 21.850 17.261 ( 5.637 15.962 -7.384) 18.469 18.027 ( -17.950 -16.361 1.967) 24.367 18.325 ( 20.650 -21.919 4.575) 30.460 ======================= Grid point 238 (126/170) ======================= q-point: (-0.36 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( 5.541 5.950 -1.143) 8.210 1.844 ( 14.609 -3.383 -4.389) 15.625 2.079 ( -11.736 12.317 -6.483) 18.206 2.224 ( 1.123 -2.847 3.336) 4.527 2.417 ( -2.081 0.400 -7.354) 7.653 2.459 ( 7.154 -4.607 5.428) 10.093 2.645 ( -0.508 -2.298 1.967) 3.067 2.784 ( 0.053 0.861 -1.326) 1.582 2.862 ( 2.225 -4.185 0.411) 4.757 2.906 ( 0.923 -2.617 1.414) 3.115 3.187 ( -8.729 12.569 7.258) 16.937 3.373 ( -0.149 0.992 -2.234) 2.449 3.610 ( 0.128 0.163 -0.997) 1.018 3.779 ( 1.137 -2.549 -8.416) 8.867 3.899 ( 2.245 3.110 1.557) 4.139 4.001 ( 2.997 1.222 2.606) 4.155 4.255 ( 2.685 -9.766 -0.017) 10.128 4.323 ( 4.791 -10.398 0.662) 11.468 4.969 ( 3.749 3.237 0.709) 5.003 5.068 ( 6.561 -1.848 -0.421) 6.829 6.045 ( -2.428 -2.100 -2.622) 4.144 6.135 ( 1.537 -5.928 2.880) 6.768 6.616 ( -6.049 2.277 2.118) 6.802 6.725 ( -7.637 -2.342 1.707) 8.168 7.024 ( 5.087 8.556 4.714) 11.014 7.189 ( 3.303 1.738 -3.422) 5.064 7.345 ( 1.922 -3.089 -2.052) 4.177 7.468 ( 5.749 -8.143 1.217) 10.042 7.727 ( -0.731 -3.954 2.535) 4.753 7.834 ( 0.713 -8.130 -7.840) 11.317 8.544 ( -3.470 5.961 0.183) 6.900 8.609 ( -1.808 3.053 -0.416) 3.572 9.141 ( -12.233 7.387 -6.332) 15.630 9.322 ( -9.254 0.685 -1.014) 9.335 9.504 ( -4.900 2.201 3.374) 6.344 9.720 ( -4.348 -7.592 1.592) 8.892 9.858 ( 3.010 3.035 -1.739) 4.615 9.907 ( 4.642 4.047 7.576) 9.764 10.043 ( -1.681 4.483 -4.005) 6.242 10.198 ( -2.790 -0.579 1.903) 3.427 10.274 ( 3.389 3.897 -0.105) 5.165 10.430 ( 2.391 -2.036 -1.137) 3.340 11.158 ( -4.266 4.591 -1.379) 6.417 11.261 ( -0.858 0.236 1.164) 1.465 12.162 ( -7.161 11.966 -3.661) 14.418 12.286 ( -1.541 4.601 -0.589) 4.887 12.417 ( 2.755 -3.364 0.890) 4.439 12.573 ( 3.879 -3.448 3.604) 6.319 15.238 ( -8.535 12.769 -7.130) 16.933 15.363 ( -5.378 4.311 3.844) 7.892 15.507 ( -7.082 -2.693 10.104) 12.630 15.788 ( -6.548 -2.863 5.597) 9.077 16.183 ( -5.496 0.242 1.948) 5.836 16.224 ( -2.408 -4.870 -5.814) 7.958 16.426 ( -6.073 7.786 -2.308) 10.140 16.791 ( 3.528 -3.407 1.172) 5.043 17.083 ( 2.268 4.416 -5.926) 7.731 17.463 ( 8.904 10.503 -3.255) 14.149 17.773 ( -7.970 1.482 1.131) 8.186 18.716 ( 20.588 -23.116 2.298) 31.040 ======================= Grid point 239 (127/170) ======================= q-point: (-0.27 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 3.718 11.813 -1.489) 12.473 1.789 ( -11.857 13.908 -7.569) 19.782 1.998 ( 8.547 -1.755 -5.843) 10.501 2.239 ( -2.488 -2.431 -10.095) 10.678 2.337 ( 5.894 -1.856 4.871) 7.869 2.623 ( 4.906 -6.250 3.861) 8.834 2.657 ( -0.269 3.717 -0.106) 3.729 2.815 ( 2.238 0.798 -0.331) 2.399 2.872 ( -2.080 -2.217 1.705) 3.485 2.963 ( 3.765 -5.507 4.268) 7.920 3.087 ( -4.790 8.589 -1.726) 9.985 3.317 ( 0.758 -4.220 -5.986) 7.363 3.620 ( -0.015 1.404 3.522) 3.792 3.787 ( 1.162 -4.901 3.418) 6.087 3.999 ( 5.359 4.812 2.577) 7.650 4.064 ( 1.330 3.230 2.516) 4.305 4.318 ( 2.782 -7.214 2.035) 7.995 4.393 ( 2.641 -8.499 0.140) 8.901 5.069 ( 7.300 2.001 0.162) 7.571 5.182 ( 8.470 -3.768 -1.722) 9.429 5.971 ( -1.346 -0.054 -3.353) 3.614 6.177 ( -0.609 -7.853 1.911) 8.105 6.570 ( -1.854 0.990 1.357) 2.502 6.653 ( -3.770 -2.164 2.982) 5.271 7.148 ( 3.324 5.413 1.842) 6.614 7.189 ( 1.870 1.442 -1.552) 2.826 7.361 ( 3.495 -3.514 -2.980) 5.783 7.543 ( 3.784 -7.614 -2.749) 8.935 7.742 ( -3.279 -4.263 4.895) 7.272 7.794 ( -0.331 -6.796 0.337) 6.812 8.505 ( -3.737 5.156 3.824) 7.427 8.582 ( -2.539 1.933 2.264) 3.912 8.854 ( -11.884 8.086 -6.436) 15.749 9.091 ( -12.319 -1.781 -5.087) 13.446 9.457 ( -4.343 2.524 1.499) 5.242 9.643 ( -5.817 -6.607 -0.286) 8.808 9.846 ( -0.144 4.863 -5.434) 7.294 9.982 ( -0.666 -0.445 -0.356) 0.877 10.052 ( -3.427 9.060 4.292) 10.595 10.161 ( 2.840 2.778 2.055) 4.473 10.375 ( 1.642 -0.353 3.821) 4.174 10.454 ( 5.488 -4.681 -2.563) 7.655 11.036 ( -6.191 5.301 -4.010) 9.083 11.237 ( -3.614 -3.593 0.907) 5.176 12.020 ( -6.117 14.556 -1.145) 15.831 12.302 ( 2.583 0.789 3.229) 4.210 12.488 ( 3.371 -0.651 0.533) 3.474 12.654 ( 1.672 -4.078 2.806) 5.225 14.968 ( -15.093 14.106 -3.732) 20.993 15.249 ( -10.230 3.204 -1.892) 10.886 15.478 ( -8.189 -3.477 5.537) 10.479 15.711 ( -6.561 -9.079 4.617) 12.116 16.023 ( -6.626 3.629 -5.585) 9.395 16.199 ( -1.005 -5.031 -3.718) 6.336 16.409 ( 1.713 12.002 6.059) 13.553 16.820 ( 0.384 3.153 -3.197) 4.507 17.151 ( 7.559 -5.816 1.681) 9.684 17.300 ( -12.516 -13.069 -3.808) 18.492 17.915 ( 12.981 27.424 3.022) 30.491 19.033 ( 17.126 -23.384 -1.650) 29.032 ======================= Grid point 240 (128/170) ======================= q-point: (-0.18 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -6.808 14.755 -2.799) 16.489 1.587 ( -2.632 14.902 -1.930) 15.255 1.993 ( 0.723 -1.651 -2.629) 3.187 2.186 ( 4.809 -0.829 -7.300) 8.781 2.467 ( 0.797 0.854 2.427) 2.693 2.592 ( 1.481 5.556 -6.005) 8.314 2.736 ( 0.506 -0.676 3.919) 4.008 2.804 ( 0.291 6.840 5.167) 8.577 2.890 ( 0.938 -9.015 -3.990) 9.903 3.002 ( 0.229 0.539 -3.319) 3.371 3.102 ( 5.902 -6.229 -1.136) 8.656 3.315 ( 3.068 -10.173 2.336) 10.879 3.709 ( 1.774 2.274 9.496) 9.924 3.858 ( 1.193 -3.689 5.705) 6.898 4.049 ( 1.708 4.742 -3.147) 5.942 4.160 ( 3.887 4.172 5.906) 8.210 4.363 ( -0.511 -3.018 1.420) 3.375 4.406 ( -0.406 -6.064 -0.173) 6.081 5.189 ( 7.501 -0.541 -1.349) 7.641 5.295 ( 8.110 -6.026 -3.325) 10.637 5.939 ( 0.678 0.193 -1.373) 1.544 6.155 ( -3.255 -6.707 0.325) 7.462 6.565 ( 1.683 0.149 -3.314) 3.720 6.667 ( 1.935 -4.617 0.901) 5.087 7.162 ( 0.998 -0.223 -0.491) 1.134 7.220 ( 1.443 0.800 -1.494) 2.225 7.402 ( 3.891 -1.710 -0.501) 4.280 7.554 ( 1.677 -4.875 -1.496) 5.368 7.709 ( -9.104 -2.522 5.132) 10.751 7.785 ( -4.015 -5.972 2.620) 7.658 8.468 ( -6.304 4.203 3.504) 8.347 8.566 ( -5.269 0.461 5.884) 7.912 8.711 ( -0.561 5.249 1.739) 5.558 8.879 ( -5.098 -1.028 -4.002) 6.562 9.391 ( -3.860 1.146 -1.453) 4.280 9.522 ( -6.273 -5.491 -3.599) 9.080 9.758 ( -2.424 6.053 -4.535) 7.942 9.912 ( -4.595 1.110 -2.150) 5.193 10.038 ( -0.655 6.145 0.833) 6.235 10.221 ( -2.034 0.092 1.620) 2.602 10.452 ( 6.688 0.227 3.014) 7.339 10.563 ( 6.401 -5.077 1.776) 8.361 10.887 ( -6.623 5.554 -3.047) 9.165 11.166 ( -5.278 -7.065 -0.437) 8.829 11.935 ( -4.523 16.550 1.174) 17.197 12.422 ( 3.000 -5.026 5.973) 8.363 12.518 ( 2.379 4.161 -2.250) 5.295 12.709 ( 2.624 -3.200 1.754) 4.495 14.684 ( -16.826 11.719 0.786) 20.520 15.032 ( -8.410 -0.224 -6.299) 10.510 15.392 ( -9.158 1.196 5.463) 10.731 15.644 ( -8.290 -4.232 4.183) 10.205 15.916 ( 0.900 -2.811 -4.981) 5.790 16.108 ( -0.122 -6.903 -9.122) 11.441 16.489 ( -0.957 9.087 1.771) 9.307 16.749 ( -4.817 0.431 -5.668) 7.451 17.068 ( -0.278 1.398 -3.724) 3.988 17.394 ( 4.303 -9.372 14.146) 17.506 18.148 ( 10.335 24.790 3.624) 27.102 19.231 ( 11.930 -23.054 -6.102) 26.665 ======================= Grid point 241 (129/170) ======================= q-point: (-0.09 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.067 15.947 -1.042) 15.981 1.539 ( -1.439 12.360 4.258) 13.152 2.021 ( 2.657 1.585 0.986) 3.248 2.167 ( 1.431 5.129 -5.503) 7.658 2.373 ( -4.021 -1.904 -4.226) 6.136 2.642 ( 2.960 4.633 -2.111) 5.890 2.732 ( -0.314 -1.900 -2.396) 3.074 2.819 ( 0.126 -3.797 -4.093) 5.584 2.931 ( 3.444 5.817 6.312) 9.249 3.026 ( 1.419 -5.821 2.759) 6.596 3.102 ( 0.517 -7.576 -4.401) 8.777 3.426 ( 3.167 -11.097 2.923) 11.905 3.866 ( 2.812 2.166 10.615) 11.193 3.944 ( -0.234 -1.542 7.312) 7.476 4.036 ( 2.173 6.082 -3.352) 7.276 4.275 ( 2.249 1.211 2.115) 3.317 4.323 ( -3.461 0.470 1.524) 3.811 4.405 ( -0.929 -1.270 1.572) 2.224 5.273 ( 5.162 -3.203 -2.806) 6.692 5.357 ( 4.746 -7.735 -4.877) 10.302 5.955 ( 1.620 -1.752 0.103) 2.389 6.089 ( -4.339 -5.345 -0.581) 6.909 6.547 ( 4.224 -0.014 -7.830) 8.897 6.677 ( 0.235 -6.386 -4.624) 7.887 7.209 ( 2.852 -0.562 2.038) 3.550 7.246 ( 5.090 -0.622 0.551) 5.158 7.454 ( 0.348 0.981 1.675) 1.972 7.546 ( -12.415 -0.233 0.886) 12.449 7.577 ( 1.300 -4.227 0.446) 4.444 7.706 ( -7.451 -6.952 0.879) 10.229 8.472 ( 0.238 2.127 7.644) 7.937 8.553 ( -3.399 -0.601 7.483) 8.241 8.788 ( 0.219 1.172 7.249) 7.346 8.842 ( 2.837 0.774 -0.982) 3.101 9.295 ( -3.403 -0.588 -5.072) 6.136 9.354 ( -6.877 -4.558 -6.896) 10.753 9.703 ( 0.560 6.084 -1.381) 6.264 9.839 ( -1.783 0.538 -1.132) 2.180 10.024 ( -0.960 5.555 -0.668) 5.676 10.170 ( -3.231 -0.880 -0.672) 3.415 10.621 ( 6.366 -0.180 0.938) 6.437 10.686 ( 4.428 0.211 5.094) 6.752 10.779 ( -0.858 0.006 -1.285) 1.546 11.057 ( -6.714 -8.259 -0.701) 10.667 11.889 ( -3.430 16.466 2.336) 16.981 12.387 ( -5.090 -4.181 -4.564) 8.014 12.625 ( 5.161 4.073 4.923) 8.214 12.783 ( 4.019 -1.893 0.953) 4.544 14.460 ( -12.891 11.145 4.588) 17.647 14.866 ( -2.843 -4.213 -6.707) 8.415 15.327 ( -4.529 5.580 4.534) 8.497 15.562 ( -6.614 -4.355 4.304) 9.013 15.889 ( 1.300 -6.339 -5.611) 8.565 16.002 ( 0.686 -7.748 -10.734) 13.256 16.417 ( -5.002 4.324 -4.082) 7.771 16.557 ( -4.334 -2.347 -8.554) 9.873 17.180 ( 5.795 11.333 8.959) 15.566 17.593 ( 2.879 -0.461 9.169) 9.621 18.339 ( 5.418 15.210 7.838) 17.948 19.284 ( 5.683 -22.033 -10.440) 25.035 ======================= Grid point 242 (130/170) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 5.062 -2.196 0.607) 5.551 1.756 ( 5.062 2.196 0.607) 5.551 2.163 ( 2.820 -6.273 0.721) 6.916 2.163 ( 2.820 6.273 0.722) 6.915 2.307 ( -4.613 -11.731 -7.293) 14.563 2.307 ( -4.612 11.731 -7.293) 14.563 2.799 ( -0.962 -2.157 -2.289) 3.289 2.799 ( -0.961 2.157 -2.289) 3.289 2.967 ( 0.112 -4.665 4.224) 6.294 2.967 ( 0.112 4.665 4.224) 6.294 3.236 ( 0.836 -9.381 -0.858) 9.457 3.236 ( 0.836 9.381 -0.858) 9.457 4.028 ( 0.976 -0.613 6.457) 6.559 4.028 ( 0.976 0.613 6.456) 6.558 4.167 ( -1.921 -4.728 1.938) 5.459 4.167 ( -1.921 4.728 1.937) 5.459 4.423 ( -0.559 -1.163 3.139) 3.394 4.423 ( -0.559 1.163 3.139) 3.394 5.238 ( 0.716 -1.081 -4.882) 5.051 5.238 ( 0.716 1.081 -4.882) 5.051 5.949 ( -0.414 -1.042 -0.699) 1.321 5.949 ( -0.414 1.042 -0.699) 1.322 6.523 ( -0.837 -0.514 -5.360) 5.449 6.523 ( -0.837 0.515 -5.359) 5.448 7.336 ( 1.033 -1.099 2.159) 2.633 7.336 ( 1.034 1.099 2.159) 2.634 7.417 ( -0.247 -3.004 -0.372) 3.037 7.417 ( -0.247 3.004 -0.372) 3.037 7.541 ( -0.415 -1.150 0.910) 1.524 7.541 ( -0.415 1.150 0.911) 1.524 8.640 ( 1.714 -2.430 11.453) 11.832 8.640 ( 1.714 2.429 11.453) 11.832 8.877 ( 2.126 -1.733 1.836) 3.300 8.877 ( 2.125 1.734 1.836) 3.300 9.128 ( -3.526 -1.791 -9.207) 10.020 9.128 ( -3.526 1.792 -9.207) 10.020 9.807 ( 0.894 -1.463 0.707) 1.855 9.807 ( 0.894 1.463 0.707) 1.855 10.087 ( 0.273 -2.458 -1.732) 3.020 10.087 ( 0.273 2.458 -1.732) 3.019 10.716 ( -3.415 -6.014 -3.048) 7.558 10.716 ( -3.418 6.016 -3.047) 7.561 10.862 ( 4.939 -4.354 4.522) 7.987 10.862 ( 4.941 4.352 4.526) 7.990 12.138 ( -2.489 -8.844 -0.448) 9.198 12.138 ( -2.489 8.844 -0.448) 9.198 12.790 ( 0.155 -2.804 2.391) 3.688 12.790 ( 0.155 2.804 2.391) 3.688 14.625 ( 0.480 -10.146 -0.838) 10.192 14.625 ( 0.480 10.146 -0.838) 10.192 15.452 ( -2.286 -3.167 5.877) 7.057 15.452 ( -2.286 3.167 5.877) 7.057 15.771 ( 1.590 -3.497 -9.614) 10.353 15.771 ( 1.590 3.497 -9.614) 10.353 16.378 ( -1.579 -4.487 -4.470) 6.527 16.378 ( -1.579 4.487 -4.470) 6.527 17.647 ( 2.719 -9.878 11.751) 15.590 17.647 ( 2.719 9.878 11.751) 15.590 18.759 ( -0.914 -19.085 -6.192) 20.085 18.759 ( -0.914 19.085 -6.192) 20.085 ======================= Grid point 244 (131/170) ======================= q-point: ( 0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 4.951 -2.153 -3.861) 6.638 1.836 ( 4.951 2.155 -3.861) 6.638 2.107 ( -2.551 -3.582 -4.442) 6.251 2.107 ( -2.550 3.581 -4.441) 6.249 2.291 ( 2.342 -4.170 2.416) 5.358 2.291 ( 2.341 4.170 2.416) 5.358 2.711 ( -6.232 -2.070 -0.541) 6.589 2.711 ( -6.232 2.070 -0.542) 6.589 3.037 ( 0.865 -6.037 3.715) 7.142 3.037 ( 0.865 6.037 3.715) 7.142 3.203 ( -1.335 -2.758 -2.137) 3.736 3.203 ( -1.335 2.758 -2.137) 3.736 4.051 ( -2.370 -3.740 -0.023) 4.428 4.051 ( -2.369 3.740 -0.023) 4.427 4.192 ( 0.011 -3.354 3.934) 5.169 4.192 ( 0.011 3.354 3.934) 5.169 4.422 ( -3.274 -1.296 2.932) 4.583 4.422 ( -3.274 1.296 2.932) 4.583 5.176 ( -2.237 -1.073 -3.226) 4.070 5.176 ( -2.237 1.074 -3.226) 4.070 5.967 ( 2.935 -1.853 -0.004) 3.471 5.967 ( 2.935 1.854 -0.004) 3.472 6.441 ( -3.576 -4.117 -1.711) 5.715 6.441 ( -3.575 4.118 -1.712) 5.715 7.254 ( -5.139 -3.260 0.326) 6.095 7.254 ( -5.139 3.260 0.326) 6.094 7.516 ( -0.646 -2.488 -0.380) 2.599 7.516 ( -0.647 2.489 -0.380) 2.599 7.609 ( 12.691 -4.433 1.162) 13.493 7.609 ( 12.690 4.433 1.162) 13.492 8.736 ( -3.752 -5.592 5.076) 8.432 8.736 ( -3.751 5.592 5.076) 8.432 8.971 ( 3.153 -2.689 0.437) 4.167 8.971 ( 3.150 2.690 0.432) 4.165 9.025 ( 6.529 -2.456 -3.982) 8.032 9.025 ( 6.528 2.457 -3.981) 8.031 9.822 ( 0.219 -2.750 0.097) 2.761 9.822 ( 0.220 2.751 0.097) 2.761 10.098 ( 2.786 -1.866 -1.491) 3.669 10.098 ( 2.787 1.866 -1.491) 3.670 10.603 ( -6.556 -6.499 0.087) 9.231 10.603 ( -6.555 6.499 0.087) 9.231 10.988 ( 5.885 -7.508 -0.686) 9.564 10.988 ( 5.885 7.509 -0.684) 9.565 12.149 ( 3.372 -3.215 2.006) 5.073 12.149 ( 3.373 3.215 2.007) 5.073 12.767 ( -5.107 -2.205 0.963) 5.645 12.767 ( -5.107 2.205 0.963) 5.646 14.682 ( 7.121 -6.543 -1.239) 9.749 14.682 ( 7.120 6.543 -1.239) 9.749 15.502 ( -0.053 -5.632 5.576) 7.926 15.502 ( -0.053 5.632 5.576) 7.926 15.739 ( 6.496 -6.511 -6.149) 11.064 15.739 ( 6.496 6.511 -6.148) 11.064 16.344 ( 1.286 -5.470 -1.275) 5.762 16.344 ( 1.286 5.470 -1.275) 5.762 17.756 ( -1.003 -4.493 4.244) 6.261 17.756 ( -1.003 4.493 4.244) 6.261 18.640 ( -6.652 -9.450 -3.041) 11.950 18.640 ( -6.652 9.450 -3.041) 11.950 ======================= Grid point 246 (132/170) ======================= q-point: ( 0.18 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 1.578 -4.286 -8.093) 9.293 1.807 ( 1.577 4.287 -8.093) 9.293 2.059 ( -2.758 -3.287 0.229) 4.297 2.059 ( -2.758 3.288 0.229) 4.298 2.360 ( 3.165 -4.952 2.167) 6.264 2.360 ( 3.165 4.951 2.167) 6.263 2.623 ( -5.899 -3.314 3.523) 7.629 2.623 ( -5.899 3.315 3.523) 7.629 3.026 ( -1.985 -3.786 -3.115) 5.290 3.026 ( -1.985 3.786 -3.115) 5.290 3.183 ( -1.306 -6.044 1.255) 6.310 3.183 ( -1.305 6.044 1.254) 6.309 3.986 ( -4.900 -5.676 0.366) 7.507 3.986 ( -4.900 5.676 0.366) 7.507 4.201 ( -1.144 -4.519 -1.434) 4.878 4.201 ( -1.143 4.520 -1.435) 4.878 4.407 ( -0.920 -0.642 1.340) 1.748 4.407 ( -0.920 0.642 1.340) 1.748 5.107 ( -3.739 -1.490 -0.035) 4.025 5.107 ( -3.739 1.490 -0.035) 4.026 6.014 ( 1.722 -5.058 -0.341) 5.354 6.014 ( 1.720 5.059 -0.341) 5.355 6.412 ( 0.672 -4.359 2.765) 5.206 6.412 ( 0.673 4.360 2.765) 5.206 7.194 ( -2.888 -2.633 -0.080) 3.909 7.194 ( -2.887 2.633 -0.079) 3.908 7.476 ( -2.604 -3.278 -0.751) 4.253 7.476 ( -2.604 3.278 -0.751) 4.253 7.839 ( 12.658 -2.120 -0.215) 12.836 7.839 ( 12.657 2.120 -0.215) 12.835 8.690 ( -0.713 -2.760 -1.553) 3.246 8.691 ( -0.714 2.760 -1.553) 3.246 8.947 ( 0.563 -1.687 -4.580) 4.913 8.947 ( 0.563 1.687 -4.581) 4.914 9.221 ( 9.622 -1.937 4.523) 10.807 9.221 ( 9.623 1.938 4.522) 10.807 9.834 ( 2.044 -3.203 0.003) 3.799 9.834 ( 2.044 3.203 0.002) 3.799 10.125 ( 1.431 -1.059 -0.652) 1.896 10.125 ( 1.431 1.060 -0.652) 1.896 10.518 ( -4.833 -3.205 1.478) 5.985 10.518 ( -4.833 3.205 1.478) 5.985 11.042 ( 4.134 -9.089 -3.073) 10.447 11.043 ( 4.134 9.089 -3.073) 10.447 12.272 ( 6.731 -3.401 2.681) 8.003 12.272 ( 6.731 3.401 2.681) 8.004 12.661 ( -7.120 -3.957 -0.215) 8.149 12.661 ( -7.120 3.957 -0.215) 8.149 14.808 ( 9.218 -2.879 -0.850) 9.695 14.808 ( 9.218 2.880 -0.850) 9.695 15.557 ( -1.155 -8.839 5.636) 10.547 15.557 ( -1.155 8.839 5.636) 10.547 15.862 ( 14.794 -7.018 -3.784) 16.805 15.862 ( 14.793 7.018 -3.784) 16.805 16.396 ( 4.317 -4.559 2.717) 6.841 16.396 ( 4.317 4.559 2.717) 6.841 17.695 ( -5.009 -8.324 -6.303) 11.581 17.695 ( -5.009 8.324 -6.303) 11.581 18.491 ( -11.211 -5.575 3.052) 12.887 18.491 ( -11.211 5.575 3.052) 12.888 ======================= Grid point 248 (133/170) ======================= q-point: ( 0.27 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 2.362 -3.920 -3.903) 6.015 1.770 ( 2.361 3.921 -3.903) 6.015 1.973 ( -5.848 -2.387 -1.166) 6.423 1.973 ( -5.847 2.387 -1.165) 6.423 2.437 ( 0.037 -3.153 3.958) 5.061 2.437 ( 0.037 3.152 3.958) 5.060 2.597 ( -1.971 -1.975 4.462) 5.263 2.597 ( -1.972 1.975 4.462) 5.263 2.947 ( -2.810 -2.228 -2.849) 4.580 2.947 ( -2.809 2.229 -2.849) 4.580 3.161 ( -1.285 -5.753 -0.606) 5.925 3.161 ( -1.285 5.752 -0.606) 5.925 3.918 ( -3.046 -3.918 -0.508) 4.988 3.918 ( -3.045 3.917 -0.508) 4.987 4.139 ( -3.766 -3.639 -1.339) 5.405 4.139 ( -3.765 3.639 -1.339) 5.405 4.408 ( 1.687 -2.133 -3.515) 4.444 4.408 ( 1.688 2.133 -3.515) 4.444 5.050 ( -4.275 -1.127 1.314) 4.612 5.050 ( -4.275 1.128 1.314) 4.612 6.012 ( -0.590 -8.362 -0.314) 8.388 6.012 ( -0.590 8.363 -0.313) 8.389 6.523 ( 6.205 -3.371 5.125) 8.725 6.523 ( 6.206 3.371 5.125) 8.726 7.142 ( -3.519 -1.693 -0.276) 3.915 7.142 ( -3.519 1.693 -0.276) 3.915 7.421 ( -2.420 -3.923 -1.563) 4.867 7.421 ( -2.420 3.923 -1.563) 4.867 7.968 ( 5.633 -2.691 -4.637) 7.777 7.968 ( 5.634 2.692 -4.637) 7.777 8.755 ( 8.381 -3.936 1.815) 9.436 8.755 ( 8.381 3.937 1.817) 9.436 8.884 ( -0.768 -0.670 -5.278) 5.375 8.884 ( -0.769 0.669 -5.277) 5.375 9.388 ( 5.479 -3.486 2.931) 7.124 9.388 ( 5.479 3.486 2.930) 7.125 9.909 ( 5.515 -3.865 1.949) 7.011 9.909 ( 5.516 3.865 1.948) 7.011 10.123 ( -1.664 -2.707 0.774) 3.270 10.123 ( -1.664 2.707 0.775) 3.270 10.467 ( -2.197 -2.148 -0.923) 3.208 10.467 ( -2.197 2.148 -0.923) 3.208 11.081 ( 3.477 -8.036 -0.602) 8.776 11.081 ( 3.478 8.036 -0.601) 8.777 12.351 ( 0.339 -8.012 -1.854) 8.230 12.351 ( 0.339 8.012 -1.854) 8.231 12.587 ( -0.834 -8.036 1.015) 8.142 12.587 ( -0.835 8.036 1.015) 8.142 14.966 ( 9.194 -4.710 2.229) 10.568 14.966 ( 9.194 4.710 2.229) 10.568 15.579 ( -3.560 -9.395 5.250) 11.336 15.579 ( -3.560 9.395 5.250) 11.336 16.110 ( 20.113 -3.300 -5.526) 21.118 16.110 ( 20.113 3.300 -5.526) 21.118 16.552 ( 7.587 -6.897 7.902) 12.945 16.552 ( 7.587 6.897 7.902) 12.945 17.469 ( -8.055 -16.031 -13.489) 22.446 17.469 ( -8.055 16.031 -13.489) 22.446 18.335 ( -14.426 -16.039 6.316) 22.478 18.335 ( -14.426 16.039 6.316) 22.478 ======================= Grid point 250 (134/170) ======================= q-point: ( 0.36 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -5.685 -5.691 -3.695) 8.852 1.712 ( -5.685 5.691 -3.695) 8.853 1.968 ( 5.084 -5.017 4.348) 8.362 1.968 ( 5.083 5.018 4.347) 8.361 2.404 ( -4.801 -9.960 -0.119) 11.057 2.404 ( -4.801 9.960 -0.119) 11.057 2.656 ( -0.965 -7.102 6.109) 9.418 2.656 ( -0.965 7.102 6.109) 9.418 2.898 ( 0.345 -1.690 -0.536) 1.806 2.898 ( 0.345 1.690 -0.537) 1.807 3.149 ( -0.141 -2.809 0.776) 2.918 3.149 ( -0.141 2.808 0.776) 2.917 3.877 ( 0.184 -1.413 -2.478) 2.858 3.877 ( 0.185 1.413 -2.477) 2.857 4.063 ( -4.160 -1.935 -0.329) 4.600 4.063 ( -4.160 1.935 -0.330) 4.600 4.359 ( 0.063 -2.621 -8.679) 9.067 4.359 ( 0.064 2.621 -8.679) 9.066 4.997 ( -3.657 -0.245 1.184) 3.851 4.997 ( -3.657 0.245 1.183) 3.852 6.007 ( -0.147 -8.763 0.629) 8.787 6.007 ( -0.146 8.764 0.630) 8.788 6.689 ( 6.875 -3.746 3.964) 8.776 6.689 ( 6.876 3.746 3.964) 8.777 7.072 ( -5.279 -1.325 1.127) 5.558 7.072 ( -5.279 1.325 1.127) 5.558 7.368 ( -1.231 -4.262 -2.166) 4.937 7.368 ( -1.231 4.263 -2.166) 4.937 7.943 ( 1.385 -5.287 -8.394) 10.017 7.943 ( 1.385 5.287 -8.394) 10.017 8.771 ( -0.399 -2.680 -6.738) 7.262 8.771 ( -0.399 2.680 -6.737) 7.262 9.022 ( 11.835 -5.632 7.924) 15.315 9.022 ( 11.835 5.631 7.924) 15.315 9.481 ( 2.133 -4.427 3.343) 5.944 9.481 ( 2.133 4.428 3.343) 5.944 9.989 ( 0.001 -6.283 -1.264) 6.409 9.989 ( 0.003 6.281 -1.268) 6.408 10.124 ( 1.596 -3.158 3.228) 4.790 10.124 ( 1.592 3.160 3.229) 4.790 10.416 ( -1.358 -3.208 -3.069) 4.643 10.416 ( -1.358 3.209 -3.069) 4.643 11.144 ( 2.723 -5.990 2.352) 6.988 11.144 ( 2.724 5.990 2.353) 6.988 12.298 ( -1.691 -4.952 -1.698) 5.501 12.298 ( -1.691 4.952 -1.698) 5.501 12.605 ( 1.228 -6.961 -1.773) 7.288 12.605 ( 1.228 6.961 -1.773) 7.288 15.154 ( 7.525 -7.512 5.788) 12.106 15.154 ( 7.525 7.512 5.788) 12.106 15.572 ( -3.637 -8.422 5.300) 10.594 15.572 ( -3.637 8.422 5.300) 10.594 16.343 ( 15.773 -5.043 -7.824) 18.315 16.343 ( 15.773 5.043 -7.824) 18.315 16.808 ( 9.465 -12.432 8.629) 17.849 16.808 ( 9.465 12.432 8.628) 17.849 17.179 ( -5.484 -19.728 -13.297) 24.415 17.179 ( -5.484 19.729 -13.297) 24.415 18.149 ( -16.075 -20.453 5.220) 26.532 18.149 ( -16.074 20.453 5.220) 26.532 ======================= Grid point 252 (135/170) ======================= q-point: ( 0.45 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( -2.377 -1.435 -3.918) 4.802 1.587 ( -2.377 1.436 -3.918) 4.802 2.128 ( 3.008 -2.794 5.932) 7.214 2.128 ( 3.008 2.794 5.932) 7.214 2.365 ( 2.229 -9.207 1.775) 9.637 2.365 ( 2.229 9.207 1.775) 9.638 2.656 ( -3.700 -4.934 2.048) 6.499 2.656 ( -3.699 4.935 2.048) 6.499 2.926 ( 1.523 -2.581 -1.422) 3.318 2.926 ( 1.523 2.581 -1.422) 3.318 3.189 ( 0.045 -2.455 8.062) 8.428 3.189 ( 0.045 2.455 8.063) 8.429 3.868 ( 3.012 -2.247 -3.954) 5.454 3.869 ( 3.012 2.248 -3.954) 5.456 3.988 ( -3.974 -3.586 -2.255) 5.808 3.988 ( -3.973 3.585 -2.256) 5.808 4.224 ( -1.904 -3.082 -10.779) 11.372 4.224 ( -1.904 3.082 -10.779) 11.371 4.965 ( -1.638 -0.084 1.133) 1.993 4.965 ( -1.638 0.084 1.133) 1.994 6.020 ( 0.307 -6.910 1.388) 7.055 6.020 ( 0.308 6.910 1.388) 7.055 6.808 ( 2.869 -1.776 0.869) 3.484 6.808 ( 2.870 1.776 0.869) 3.485 7.013 ( -4.372 -1.457 4.615) 6.522 7.013 ( -4.372 1.457 4.615) 6.522 7.336 ( 0.464 -3.942 -2.600) 4.745 7.336 ( 0.464 3.942 -2.600) 4.745 7.855 ( 0.833 -6.122 -9.763) 11.554 7.855 ( 0.833 6.122 -9.762) 11.553 8.707 ( -0.154 -0.928 -3.734) 3.851 8.707 ( -0.154 0.928 -3.735) 3.851 9.293 ( 8.374 -3.713 8.075) 12.212 9.293 ( 8.373 3.713 8.076) 12.211 9.548 ( 1.332 -3.972 4.339) 6.032 9.548 ( 1.331 3.973 4.338) 6.031 9.899 ( -6.126 -7.458 -2.254) 9.911 9.899 ( -6.126 7.457 -2.256) 9.910 10.199 ( 3.336 -4.517 -1.669) 5.858 10.199 ( 3.335 4.517 -1.668) 5.857 10.365 ( -1.197 -3.709 -0.826) 3.984 10.365 ( -1.197 3.709 -0.825) 3.984 11.213 ( 1.495 -1.752 3.363) 4.076 11.213 ( 1.495 1.752 3.364) 4.077 12.293 ( 1.793 -4.426 0.629) 4.816 12.293 ( 1.793 4.426 0.629) 4.816 12.561 ( -2.185 -5.757 -4.521) 7.639 12.561 ( -2.185 5.758 -4.521) 7.640 15.307 ( 2.253 -5.389 5.670) 8.141 15.307 ( 2.253 5.389 5.670) 8.141 15.615 ( -0.041 -4.394 9.039) 10.051 15.615 ( -0.041 4.394 9.039) 10.051 16.412 ( 3.369 -11.041 -10.283) 15.460 16.412 ( 3.369 11.041 -10.283) 15.460 16.785 ( -6.069 -7.183 -7.498) 12.027 16.785 ( -6.069 7.183 -7.498) 12.027 17.275 ( 16.895 -22.462 4.077) 28.401 17.275 ( 16.895 22.463 4.077) 28.401 17.936 ( -13.908 -18.609 2.673) 23.386 17.936 ( -13.908 18.609 2.673) 23.386 ======================= Grid point 254 (136/170) ======================= q-point: (-0.45 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 6.168 -5.236 -3.453) 8.796 1.577 ( 6.168 5.236 -3.453) 8.796 2.178 ( 0.162 -1.747 3.130) 3.588 2.178 ( 0.162 1.747 3.130) 3.588 2.487 ( 1.982 -1.049 2.634) 3.459 2.488 ( 1.982 1.048 2.634) 3.458 2.613 ( -0.499 -1.502 0.857) 1.800 2.613 ( -0.499 1.503 0.857) 1.801 2.888 ( -1.108 -0.893 -3.887) 4.140 2.888 ( -1.108 0.893 -3.887) 4.140 3.318 ( -1.408 -5.215 13.940) 14.950 3.318 ( -1.408 5.215 13.940) 14.950 3.821 ( -1.624 -8.985 -12.843) 15.758 3.821 ( -1.625 8.985 -12.843) 15.758 3.921 ( 3.809 -0.482 -1.747) 4.218 3.921 ( 3.808 0.484 -1.746) 4.217 4.122 ( -0.087 -1.800 -3.259) 3.725 4.122 ( -0.087 1.800 -3.259) 3.725 4.972 ( 1.165 -1.018 1.014) 1.849 4.972 ( 1.165 1.018 1.014) 1.849 6.041 ( 0.260 -3.405 1.127) 3.596 6.041 ( 0.260 3.405 1.127) 3.596 6.772 ( -6.558 -2.963 0.787) 7.240 6.772 ( -6.558 2.963 0.788) 7.240 7.069 ( 2.823 -6.558 5.680) 9.123 7.069 ( 2.823 6.558 5.679) 9.123 7.323 ( 1.799 -2.771 -2.966) 4.440 7.323 ( 1.799 2.771 -2.966) 4.440 7.769 ( 1.186 -5.093 -8.270) 9.785 7.769 ( 1.186 5.094 -8.270) 9.785 8.670 ( -1.195 -1.069 -1.575) 2.247 8.670 ( -1.194 1.069 -1.575) 2.247 9.409 ( -3.093 -1.650 3.390) 4.876 9.409 ( -3.092 1.650 3.390) 4.876 9.613 ( -0.805 -4.831 2.126) 5.339 9.613 ( -0.804 4.832 2.125) 5.339 9.819 ( -0.205 -5.258 2.997) 6.056 9.819 ( -0.206 5.259 2.995) 6.055 10.172 ( 0.365 -1.181 -6.042) 6.167 10.172 ( 0.365 1.182 -6.042) 6.168 10.370 ( -0.033 -1.438 1.686) 2.216 10.370 ( -0.034 1.438 1.686) 2.216 11.256 ( -0.380 -2.025 2.102) 2.943 11.256 ( -0.380 2.025 2.102) 2.943 12.351 ( 2.928 -3.405 0.180) 4.494 12.351 ( 2.927 3.405 0.179) 4.494 12.454 ( -4.052 -2.297 -2.716) 5.392 12.454 ( -4.052 2.298 -2.717) 5.392 15.365 ( -0.480 -1.867 3.868) 4.322 15.365 ( -0.480 1.867 3.868) 4.322 15.726 ( -3.524 -6.537 10.342) 12.732 15.726 ( -3.524 6.537 10.343) 12.733 16.248 ( -4.553 -10.359 -9.794) 14.965 16.248 ( -4.553 10.359 -9.793) 14.965 16.668 ( -2.295 -3.700 -2.981) 5.277 16.668 ( -2.295 3.700 -2.981) 5.277 17.470 ( -0.609 -9.766 -3.715) 10.467 17.470 ( -0.608 9.766 -3.715) 10.467 17.888 ( 8.727 -14.291 4.916) 17.452 17.888 ( 8.727 14.291 4.916) 17.452 ======================= Grid point 256 (137/170) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 11.757 -9.180 -2.784) 15.174 1.697 ( 11.757 9.180 -2.783) 15.174 2.227 ( -0.354 -1.724 0.358) 1.796 2.227 ( -0.355 1.723 0.358) 1.795 2.386 ( -3.874 -5.694 -4.723) 8.351 2.386 ( -3.874 5.695 -4.723) 8.352 2.702 ( 3.802 -6.688 3.202) 8.333 2.702 ( 3.801 6.688 3.202) 8.332 2.849 ( -1.183 -2.520 0.629) 2.854 2.849 ( -1.183 2.520 0.630) 2.855 3.369 ( -6.914 -3.781 4.581) 9.116 3.369 ( -6.914 3.782 4.581) 9.116 3.676 ( 0.714 -6.046 -7.069) 9.329 3.676 ( 0.714 6.046 -7.069) 9.329 4.020 ( 7.097 -5.449 1.950) 9.158 4.020 ( 7.096 5.451 1.950) 9.158 4.128 ( 2.478 -4.346 -0.104) 5.004 4.128 ( 2.478 4.346 -0.104) 5.004 5.026 ( 4.268 -2.237 0.434) 4.839 5.026 ( 4.269 2.237 0.434) 4.839 6.047 ( -0.194 -2.244 -0.302) 2.272 6.047 ( -0.194 2.244 -0.301) 2.272 6.668 ( -7.372 -2.811 2.606) 8.309 6.668 ( -7.372 2.810 2.607) 8.309 7.179 ( 2.847 -4.681 3.669) 6.594 7.179 ( 2.847 4.681 3.669) 6.594 7.332 ( 3.316 -3.201 -2.405) 5.199 7.332 ( 3.316 3.202 -2.405) 5.200 7.716 ( 0.927 -2.778 -4.049) 4.997 7.716 ( 0.928 2.779 -4.049) 4.997 8.625 ( -2.968 -1.612 -0.094) 3.379 8.625 ( -2.968 1.612 -0.095) 3.379 9.274 ( -11.634 -4.803 -3.707) 13.121 9.274 ( -11.634 4.803 -3.707) 13.121 9.579 ( -4.885 -5.187 3.297) 7.851 9.579 ( -4.885 5.187 3.296) 7.851 9.917 ( 4.842 -2.040 0.630) 5.292 9.917 ( 4.842 2.041 0.630) 5.292 10.136 ( 0.152 -4.078 0.640) 4.131 10.136 ( 0.151 4.078 0.640) 4.131 10.375 ( 0.113 -3.918 -0.735) 3.988 10.375 ( 0.113 3.918 -0.735) 3.988 11.237 ( -3.160 -2.610 -0.468) 4.125 11.237 ( -3.160 2.610 -0.468) 4.125 12.300 ( -3.697 -3.192 -2.738) 5.599 12.300 ( -3.697 3.192 -2.738) 5.600 12.471 ( 2.641 -6.390 3.105) 7.579 12.471 ( 2.640 6.390 3.106) 7.579 15.392 ( -0.749 -2.759 1.292) 3.137 15.392 ( -0.749 2.759 1.292) 3.137 15.615 ( -15.489 -11.677 1.561) 19.460 15.615 ( -15.489 11.677 1.561) 19.460 16.177 ( -0.543 -1.307 0.356) 1.460 16.177 ( -0.543 1.307 0.356) 1.460 16.624 ( -2.091 -9.933 3.736) 10.816 16.624 ( -2.091 9.933 3.736) 10.816 17.298 ( -6.554 -13.312 -9.408) 17.569 17.298 ( -6.554 13.312 -9.408) 17.569 18.195 ( 18.062 -25.883 3.391) 31.744 18.195 ( 18.062 25.883 3.391) 31.744 ======================= Grid point 258 (138/170) ======================= q-point: (-0.27 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 8.426 -11.066 -3.565) 14.358 1.851 ( 8.426 11.066 -3.565) 14.358 2.059 ( -7.151 -11.522 -7.349) 15.424 2.059 ( -7.152 11.521 -7.349) 15.424 2.449 ( 7.277 -8.795 2.309) 11.647 2.449 ( 7.277 8.796 2.309) 11.647 2.778 ( 2.126 -6.530 0.205) 6.870 2.778 ( 2.127 6.530 0.206) 6.871 2.851 ( -0.204 -4.080 3.512) 5.387 2.851 ( -0.204 4.080 3.513) 5.388 3.238 ( -5.232 -4.694 -6.187) 9.364 3.238 ( -5.232 4.694 -6.188) 9.365 3.683 ( -0.117 -4.560 5.427) 7.089 3.683 ( -0.117 4.560 5.427) 7.089 4.147 ( 4.572 -6.334 1.084) 7.887 4.147 ( 4.572 6.336 1.085) 7.888 4.198 ( 4.520 -6.579 2.341) 8.319 4.198 ( 4.520 6.579 2.342) 8.319 5.115 ( 6.486 -2.567 -0.869) 7.029 5.115 ( 6.486 2.567 -0.870) 7.030 6.031 ( -0.656 -5.433 -0.981) 5.559 6.031 ( -0.656 5.433 -0.980) 5.559 6.606 ( -3.711 -2.171 2.677) 5.065 6.606 ( -3.711 2.171 2.677) 5.065 7.213 ( 0.282 -1.724 -1.681) 2.424 7.213 ( 0.282 1.724 -1.680) 2.423 7.386 ( 4.189 -6.281 -0.106) 7.551 7.386 ( 4.190 6.282 -0.106) 7.552 7.709 ( -0.728 -1.238 1.930) 2.406 7.709 ( -0.727 1.239 1.930) 2.406 8.583 ( -3.955 -1.986 2.940) 5.313 8.583 ( -3.955 1.986 2.940) 5.313 9.008 ( -12.403 -6.040 -5.596) 14.887 9.009 ( -12.402 6.040 -5.596) 14.887 9.523 ( -5.187 -4.276 1.039) 6.802 9.523 ( -5.186 4.276 1.039) 6.802 9.934 ( -0.112 -3.505 -3.412) 4.893 9.934 ( -0.112 3.506 -3.412) 4.893 10.176 ( -0.904 -2.408 4.179) 4.907 10.176 ( -0.904 2.409 4.179) 4.907 10.386 ( 3.606 -1.923 -0.906) 4.186 10.386 ( 3.606 1.923 -0.906) 4.186 11.147 ( -5.725 -4.949 -2.067) 7.845 11.147 ( -5.724 4.949 -2.067) 7.844 12.243 ( -2.234 -6.565 1.448) 7.085 12.243 ( -2.234 6.566 1.448) 7.085 12.547 ( 3.000 -5.320 1.987) 6.423 12.547 ( 3.000 5.320 1.988) 6.423 15.228 ( -13.821 -7.652 -7.292) 17.399 15.228 ( -13.821 7.651 -7.292) 17.399 15.496 ( -5.831 -7.277 8.711) 12.761 15.496 ( -5.831 7.277 8.711) 12.761 16.107 ( -4.759 -3.987 -4.866) 7.888 16.107 ( -4.759 3.987 -4.866) 7.888 16.704 ( -1.066 -13.854 10.406) 17.360 16.704 ( -1.066 13.854 10.406) 17.360 17.116 ( -1.061 -4.907 -8.340) 9.734 17.116 ( -1.062 4.907 -8.340) 9.734 18.499 ( 15.901 -27.214 0.076) 31.520 18.499 ( 15.901 27.214 0.076) 31.520 ======================= Grid point 260 (139/170) ======================= q-point: (-0.18 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -4.044 -4.796 -6.636) 9.132 1.782 ( -4.044 4.796 -6.636) 9.132 2.025 ( 3.238 -10.148 0.609) 10.669 2.025 ( 3.238 10.148 0.609) 10.669 2.585 ( 5.850 -7.807 -0.612) 9.774 2.585 ( 5.849 7.807 -0.612) 9.774 2.730 ( -1.250 -5.467 -5.573) 7.906 2.730 ( -1.250 5.467 -5.574) 7.907 2.962 ( 5.447 -6.717 3.704) 9.408 2.962 ( 5.447 6.718 3.705) 9.409 3.112 ( -3.009 -8.588 -1.946) 9.306 3.112 ( -3.009 8.588 -1.947) 9.306 3.776 ( 0.568 -3.829 10.168) 10.880 3.776 ( 0.568 3.829 10.168) 10.880 4.199 ( 2.415 -6.486 -1.737) 7.136 4.199 ( 2.415 6.487 -1.738) 7.137 4.295 ( 2.879 -2.621 3.438) 5.194 4.295 ( 2.879 2.621 3.438) 5.194 5.204 ( 6.272 -2.379 -2.631) 7.206 5.204 ( 6.272 2.379 -2.631) 7.206 6.009 ( -1.209 -6.045 -0.318) 6.173 6.009 ( -1.210 6.045 -0.317) 6.173 6.595 ( 1.043 -2.502 -1.696) 3.198 6.595 ( 1.044 2.502 -1.696) 3.198 7.187 ( 0.097 -2.385 -1.551) 2.847 7.187 ( 0.097 2.386 -1.551) 2.847 7.448 ( 3.081 -4.609 0.483) 5.565 7.448 ( 3.081 4.609 0.483) 5.565 7.701 ( -5.847 -1.869 4.108) 7.386 7.701 ( -5.847 1.869 4.108) 7.386 8.542 ( -6.717 -2.617 4.677) 8.593 8.542 ( -6.717 2.618 4.677) 8.593 8.822 ( -3.349 -4.515 -1.508) 5.820 8.822 ( -3.349 4.515 -1.508) 5.821 9.429 ( -5.306 -2.928 -2.516) 6.562 9.429 ( -5.306 2.928 -2.516) 6.562 9.865 ( -3.025 -4.096 -3.107) 5.966 9.865 ( -3.025 4.097 -3.106) 5.965 10.170 ( -2.416 -4.847 0.496) 5.438 10.170 ( -2.416 4.847 0.496) 5.438 10.483 ( 6.858 -2.603 1.955) 7.592 10.483 ( 6.858 2.604 1.955) 7.592 11.019 ( -6.663 -6.815 -2.025) 9.744 11.019 ( -6.662 6.816 -2.025) 9.743 12.237 ( -2.572 -11.809 3.045) 12.463 12.237 ( -2.573 11.809 3.045) 12.464 12.623 ( 4.327 -4.789 1.379) 6.600 12.623 ( 4.326 4.789 1.380) 6.599 14.922 ( -13.653 -9.613 -4.711) 17.349 14.922 ( -13.653 9.613 -4.711) 17.349 15.491 ( -6.969 -7.799 8.035) 13.189 15.491 ( -6.969 7.799 8.035) 13.189 15.969 ( -1.709 -5.790 -8.610) 10.516 15.969 ( -1.709 5.790 -8.610) 10.516 16.670 ( -6.420 -7.299 -4.356) 10.653 16.670 ( -6.420 7.300 -4.356) 10.653 17.179 ( 6.404 -8.961 9.595) 14.608 17.179 ( 6.404 8.961 9.595) 14.608 18.706 ( 11.204 -26.606 -3.212) 29.047 18.706 ( 11.204 26.606 -3.212) 29.047 ======================= Grid point 262 (140/170) ======================= q-point: (-0.09 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 166 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 0.672 -2.328 -1.471) 2.834 1.705 ( 0.673 2.328 -1.471) 2.834 2.089 ( 2.397 -7.664 2.834) 8.516 2.089 ( 2.396 7.664 2.834) 8.515 2.499 ( -4.084 -11.551 -11.299) 16.666 2.499 ( -4.083 11.551 -11.299) 16.667 2.764 ( 4.719 -4.291 1.083) 6.469 2.764 ( 4.719 4.291 1.084) 6.469 2.977 ( -1.355 -2.803 -2.474) 3.977 2.977 ( -1.355 2.803 -2.475) 3.977 3.172 ( 3.844 -12.826 4.875) 14.249 3.172 ( 3.844 12.826 4.875) 14.249 3.910 ( 0.686 -1.906 11.114) 11.297 3.910 ( 0.686 1.906 11.114) 11.297 4.192 ( -0.190 -7.336 -2.140) 7.644 4.192 ( -0.190 7.336 -2.140) 7.644 4.373 ( 1.948 -2.500 3.331) 4.598 4.373 ( 1.948 2.500 3.331) 4.598 5.252 ( 3.949 -1.895 -4.227) 6.087 5.252 ( 3.949 1.895 -4.227) 6.087 5.980 ( -1.951 -4.001 -0.286) 4.461 5.980 ( -1.952 4.001 -0.286) 4.461 6.579 ( 2.318 -3.061 -6.703) 7.724 6.579 ( 2.319 3.061 -6.702) 7.724 7.219 ( 4.033 -1.397 2.004) 4.715 7.219 ( 4.033 1.398 2.003) 4.715 7.492 ( 0.429 -2.877 0.895) 3.044 7.492 ( 0.429 2.877 0.895) 3.044 7.591 ( -9.899 -3.792 1.528) 10.710 7.591 ( -9.899 3.792 1.528) 10.710 8.523 ( -1.885 -2.279 7.400) 7.969 8.523 ( -1.886 2.279 7.400) 7.969 8.829 ( 0.912 -2.020 2.724) 3.512 8.829 ( 0.912 2.021 2.725) 3.513 9.292 ( -5.350 -1.017 -6.120) 8.193 9.292 ( -5.350 1.017 -6.121) 8.193 9.802 ( -0.847 -3.444 -1.186) 3.740 9.802 ( -0.847 3.445 -1.185) 3.740 10.124 ( -2.196 -3.534 -1.261) 4.348 10.124 ( -2.196 3.534 -1.261) 4.348 10.640 ( 8.513 -2.130 2.626) 9.160 10.640 ( 8.514 2.131 2.626) 9.162 10.889 ( -6.850 -7.492 -0.938) 10.195 10.889 ( -6.849 7.492 -0.939) 10.194 12.202 ( -4.304 -12.543 0.783) 13.284 12.202 ( -4.304 12.543 0.782) 13.284 12.720 ( 4.362 -4.042 2.323) 6.385 12.720 ( 4.362 4.042 2.323) 6.385 14.702 ( -7.973 -10.812 -2.048) 13.589 14.702 ( -7.973 10.812 -2.048) 13.589 15.456 ( -6.387 -6.270 6.561) 11.097 15.456 ( -6.387 6.270 6.561) 11.097 15.863 ( 0.948 -4.060 -9.928) 10.767 15.863 ( 0.948 4.060 -9.928) 10.767 16.498 ( -4.829 -3.353 -7.263) 9.345 16.498 ( -4.829 3.353 -7.263) 9.345 17.427 ( 5.552 -11.567 14.353) 19.252 17.427 ( 5.552 11.567 14.353) 19.252 18.792 ( 5.310 -24.215 -5.706) 25.439 18.792 ( 5.310 24.216 -5.706) 25.439 ======================= Grid point 297 (141/170) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -18.216 0.000 20.898) 27.723 1.339 ( 18.149 0.000 -20.796) 27.602 1.534 ( 3.104 0.000 -20.073) 20.312 1.535 ( -3.069 0.000 20.027) 20.261 2.217 ( -2.944 0.000 8.123) 8.640 2.217 ( 2.949 0.000 -8.114) 8.633 2.990 ( -2.722 0.000 5.038) 5.726 2.990 ( 2.712 0.000 -5.083) 5.761 3.076 ( 0.240 0.000 9.986) 9.989 3.077 ( -0.232 0.000 -9.939) 9.941 3.583 ( 0.413 0.000 -5.976) 5.990 3.583 ( -0.415 0.000 5.982) 5.996 3.847 ( 0.033 0.000 -3.587) 3.587 3.848 ( -0.036 0.000 3.587) 3.587 4.188 ( 2.720 0.000 -1.767) 3.244 4.188 ( -2.719 0.000 1.770) 3.245 4.441 ( 2.770 0.000 -6.398) 6.972 4.441 ( -2.770 0.000 6.397) 6.971 5.624 ( 2.734 0.000 -6.442) 6.998 5.624 ( -2.738 0.000 6.444) 7.002 6.193 ( -6.887 0.000 4.343) 8.142 6.193 ( 6.889 0.000 -4.335) 8.139 6.778 ( -7.289 0.000 -1.965) 7.550 6.778 ( 7.287 0.000 1.961) 7.546 6.948 ( -3.419 0.000 9.082) 9.705 6.948 ( 3.439 0.000 -9.075) 9.705 7.628 ( -1.162 0.000 -1.382) 1.806 7.628 ( 1.163 0.000 1.383) 1.807 7.945 ( -8.926 0.000 -2.031) 9.154 7.945 ( 8.917 0.000 2.057) 9.151 8.762 ( -1.240 0.000 6.593) 6.708 8.763 ( 1.220 0.000 -6.605) 6.716 9.009 ( -2.461 0.000 -2.621) 3.595 9.009 ( 2.449 0.000 2.613) 3.581 9.157 ( -4.758 0.000 8.923) 10.112 9.158 ( 4.757 0.000 -8.880) 10.074 9.612 ( -4.257 0.000 -3.164) 5.304 9.612 ( 4.257 0.000 3.164) 5.304 9.784 ( 9.359 0.000 0.006) 9.359 9.785 ( -9.366 0.000 -0.010) 9.366 10.828 ( -7.394 0.000 -15.254) 16.952 10.828 ( 7.408 0.000 15.247) 16.952 11.160 ( -3.212 0.000 7.491) 8.151 11.161 ( 3.198 0.000 -7.470) 8.125 11.710 ( 0.463 0.000 -17.014) 17.020 11.710 ( -0.465 0.000 17.010) 17.016 12.651 ( -11.188 0.000 7.525) 13.484 12.652 ( 11.190 0.000 -7.524) 13.484 14.464 ( 10.677 0.000 -22.513) 24.917 14.465 ( -10.693 0.000 22.526) 24.935 15.510 ( -4.489 0.000 -18.416) 18.955 15.511 ( 4.487 0.000 18.408) 18.947 16.162 ( -5.323 0.000 -1.219) 5.460 16.162 ( 5.306 0.000 1.236) 5.448 16.341 ( 0.324 0.000 -8.945) 8.950 16.341 ( -0.315 0.000 8.930) 8.936 16.667 ( 0.446 0.000 -3.083) 3.115 16.667 ( -0.448 0.000 3.091) 3.124 19.452 ( -0.000 0.000 -26.680) 26.680 19.453 ( 0.001 0.000 26.690) 26.690 ======================= Grid point 299 (142/170) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -7.177 0.000 18.077) 19.450 1.409 ( 8.403 0.000 -18.178) 20.027 1.451 ( 18.914 0.000 -18.063) 26.153 1.711 ( 4.874 0.000 6.390) 8.036 2.128 ( -11.406 0.000 -1.119) 11.461 2.135 ( 2.297 0.000 -6.056) 6.477 2.937 ( 0.073 0.000 -7.920) 7.920 2.967 ( -4.941 0.000 2.821) 5.690 3.007 ( 0.016 0.000 -4.244) 4.244 3.202 ( -0.870 0.000 10.814) 10.849 3.506 ( -2.514 0.000 -5.439) 5.992 3.644 ( -1.013 0.000 7.881) 7.946 3.803 ( -2.017 0.000 -1.166) 2.330 3.875 ( -0.959 0.000 2.652) 2.820 4.172 ( -0.909 0.000 0.839) 1.238 4.209 ( 2.959 0.000 -3.346) 4.467 4.431 ( 4.785 0.000 -6.896) 8.394 4.484 ( -0.514 0.000 6.064) 6.086 5.523 ( -6.389 0.000 -6.123) 8.849 5.585 ( -11.787 0.000 8.233) 14.378 6.075 ( -10.534 0.000 3.420) 11.076 6.220 ( 2.677 0.000 -2.076) 3.388 6.758 ( 1.176 0.000 5.063) 5.198 6.841 ( 0.699 0.000 -7.648) 7.680 6.978 ( -4.948 0.000 6.912) 8.501 7.081 ( 16.067 0.000 6.095) 17.184 7.641 ( 4.295 0.000 -0.320) 4.307 7.689 ( 5.740 0.000 -2.099) 6.112 7.778 ( -7.788 0.000 -2.494) 8.178 8.104 ( 7.673 0.000 0.887) 7.724 8.649 ( -3.264 0.000 -8.828) 9.412 8.729 ( -9.046 0.000 4.623) 10.159 8.833 ( -5.611 0.000 -9.984) 11.452 8.953 ( -3.013 0.000 -6.541) 7.202 9.268 ( 8.737 0.000 1.372) 8.845 9.306 ( 2.691 0.000 12.443) 12.731 9.543 ( 2.092 0.000 -2.644) 3.372 9.555 ( -7.400 0.000 -4.897) 8.873 9.784 ( 2.844 0.000 5.460) 6.156 9.925 ( 7.023 0.000 -1.487) 7.179 10.553 ( -7.710 0.000 -7.774) 10.949 10.975 ( -8.742 0.000 9.948) 13.243 11.119 ( 3.247 0.000 -10.446) 10.939 11.276 ( 7.206 0.000 7.785) 10.608 11.492 ( -2.785 0.000 -18.586) 18.793 11.872 ( -0.845 0.000 15.538) 15.561 12.564 ( -10.359 0.000 9.038) 13.747 12.749 ( 9.223 0.000 -5.898) 10.948 14.478 ( 18.541 0.000 -17.902) 25.773 14.614 ( -2.752 0.000 22.827) 22.992 15.236 ( -4.630 0.000 -15.450) 16.129 15.750 ( -1.888 0.000 19.277) 19.369 16.079 ( -2.586 0.000 -1.833) 3.169 16.239 ( 4.430 0.000 -9.989) 10.927 16.264 ( -0.437 0.000 0.818) 0.927 16.435 ( -1.020 0.000 9.555) 9.609 16.658 ( 2.856 0.000 -4.138) 5.028 16.763 ( 8.974 0.000 4.911) 10.230 19.104 ( -4.360 0.000 -28.537) 28.868 19.685 ( -5.829 0.000 23.029) 23.755 ======================= Grid point 300 (143/170) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 16.018 0.000 -19.070) 24.905 1.435 ( 7.713 0.000 -22.472) 23.759 1.475 ( -5.466 0.000 19.053) 19.822 1.883 ( 18.728 0.000 -7.716) 20.255 1.929 ( -9.975 0.000 2.051) 10.184 2.257 ( 5.691 0.000 12.415) 13.658 2.824 ( -2.279 0.000 -8.383) 8.687 2.899 ( -6.275 0.000 1.306) 6.409 2.938 ( -3.910 0.000 -2.933) 4.888 3.258 ( -4.036 0.000 6.347) 7.522 3.366 ( -8.048 0.000 -4.404) 9.174 3.703 ( -2.704 0.000 5.114) 5.785 3.759 ( -2.243 0.000 -1.043) 2.473 3.894 ( 1.376 0.000 1.948) 2.385 4.172 ( 0.966 0.000 -1.096) 1.461 4.207 ( 1.983 0.000 -4.470) 4.890 4.436 ( 5.544 0.000 -7.592) 9.401 4.550 ( 0.563 0.000 4.952) 4.984 5.298 ( -11.518 0.000 -6.345) 13.150 5.435 ( -16.884 0.000 8.571) 18.935 5.987 ( -5.687 0.000 5.645) 8.013 6.258 ( 2.815 0.000 0.567) 2.871 6.761 ( 0.234 0.000 -6.298) 6.303 6.844 ( -1.801 0.000 4.832) 5.157 6.936 ( -4.797 0.000 4.251) 6.410 7.395 ( 5.569 0.000 6.672) 8.691 7.656 ( 4.637 0.000 -3.983) 6.113 7.762 ( 7.262 0.000 4.367) 8.474 7.765 ( 4.388 0.000 -2.186) 4.903 8.176 ( -0.099 0.000 0.396) 0.408 8.483 ( -4.923 0.000 -8.187) 9.553 8.576 ( -15.844 0.000 1.259) 15.894 8.655 ( -3.571 0.000 -7.558) 8.359 8.886 ( 10.394 0.000 -7.228) 12.660 9.389 ( -1.617 0.000 -3.787) 4.118 9.433 ( 4.251 0.000 2.140) 4.759 9.455 ( 1.060 0.000 6.218) 6.307 9.617 ( 8.330 0.000 -0.261) 8.335 9.877 ( 2.647 0.000 2.631) 3.733 9.951 ( 0.513 0.000 -4.425) 4.454 10.480 ( 1.419 0.000 5.975) 6.141 10.877 ( -12.009 0.000 6.218) 13.523 11.053 ( 4.158 0.000 -10.991) 11.751 11.217 ( -5.202 0.000 -17.895) 18.635 11.417 ( 0.449 0.000 3.429) 3.458 12.052 ( 2.892 0.000 12.836) 13.158 12.515 ( -8.315 0.000 9.260) 12.445 12.805 ( 4.835 0.000 -5.358) 7.217 14.652 ( 21.065 0.000 -12.231) 24.359 14.855 ( 2.923 0.000 18.692) 18.919 15.050 ( 0.979 0.000 -10.432) 10.478 15.881 ( -7.223 0.000 18.397) 19.764 16.038 ( -0.776 0.000 -0.319) 0.839 16.166 ( 0.794 0.000 -7.528) 7.570 16.235 ( -3.900 0.000 -1.131) 4.061 16.496 ( -4.251 0.000 7.671) 8.771 16.677 ( 5.088 0.000 -4.627) 6.877 17.083 ( 19.817 0.000 6.770) 20.941 18.694 ( -6.124 0.000 -28.104) 28.763 19.767 ( -12.123 0.000 18.108) 21.791 ======================= Grid point 301 (144/170) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 13.323 0.000 -19.432) 23.561 1.498 ( 18.236 0.000 -13.323) 22.584 1.575 ( -4.619 0.000 14.296) 15.024 1.892 ( -3.334 0.000 9.712) 10.269 2.096 ( 11.831 0.000 -2.627) 12.119 2.512 ( 5.594 0.000 13.553) 14.662 2.708 ( -1.049 0.000 -6.326) 6.413 2.785 ( -6.721 0.000 -1.028) 6.799 2.822 ( -6.754 0.000 -0.998) 6.827 3.135 ( -13.578 0.000 -4.443) 14.287 3.241 ( -4.135 0.000 4.254) 5.932 3.647 ( -3.452 0.000 -4.582) 5.737 3.700 ( -0.364 0.000 -4.415) 4.430 3.937 ( -2.626 0.000 3.777) 4.600 4.160 ( -0.663 0.000 -6.803) 6.835 4.192 ( 4.048 0.000 -2.008) 4.519 4.443 ( 5.862 0.000 -7.809) 9.765 4.597 ( -0.177 0.000 2.515) 2.521 5.037 ( -11.156 0.000 -5.340) 12.368 5.249 ( -15.496 0.000 6.662) 16.867 6.012 ( -1.721 0.000 9.563) 9.717 6.315 ( 2.072 0.000 1.759) 2.718 6.719 ( -8.892 0.000 -3.776) 9.660 6.729 ( 2.385 0.000 -2.905) 3.759 6.989 ( -0.703 0.000 6.782) 6.818 7.290 ( -9.327 0.000 -7.583) 12.021 7.786 ( 2.744 0.000 -3.910) 4.777 7.913 ( 14.062 0.000 8.239) 16.298 7.943 ( 5.703 0.000 5.885) 8.195 8.155 ( -4.014 0.000 1.239) 4.201 8.319 ( -5.805 0.000 -3.520) 6.789 8.322 ( -11.103 0.000 0.767) 11.129 8.561 ( 1.304 0.000 -5.909) 6.051 9.099 ( 15.720 0.000 0.173) 15.721 9.334 ( 2.775 0.000 -4.604) 5.376 9.469 ( -0.724 0.000 -2.763) 2.856 9.548 ( 3.544 0.000 3.664) 5.098 9.757 ( 5.921 0.000 -0.687) 5.961 9.929 ( 2.024 0.000 1.218) 2.363 9.937 ( 2.685 0.000 0.817) 2.806 10.581 ( -1.783 0.000 3.429) 3.865 10.748 ( -10.811 0.000 4.719) 11.796 10.954 ( -6.243 0.000 -9.482) 11.352 11.063 ( 11.146 0.000 -7.255) 13.299 11.383 ( -5.690 0.000 -0.264) 5.696 12.197 ( 0.521 0.000 5.234) 5.260 12.497 ( -5.112 0.000 8.247) 9.703 12.790 ( 0.849 0.000 -4.872) 4.946 14.798 ( 10.264 0.000 -8.685) 13.445 15.096 ( 5.245 0.000 11.169) 12.339 15.108 ( 15.275 0.000 -3.435) 15.657 15.909 ( -10.529 0.000 10.539) 14.897 16.047 ( 1.074 0.000 1.314) 1.697 16.100 ( -2.936 0.000 -1.259) 3.194 16.175 ( -2.135 0.000 3.190) 3.838 16.476 ( -4.998 0.000 3.740) 6.242 16.689 ( 4.152 0.000 -6.080) 7.362 17.473 ( 16.925 0.000 3.157) 17.217 18.326 ( -0.863 0.000 -22.868) 22.884 19.690 ( -17.944 0.000 12.596) 21.923 ======================= Grid point 302 (145/170) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 19.464 0.000 -7.140) 20.732 1.614 ( 2.202 0.000 1.382) 2.599 1.728 ( 17.786 0.000 -2.955) 18.030 2.006 ( -0.730 0.000 14.174) 14.193 2.148 ( -7.274 0.000 2.858) 7.815 2.561 ( -6.484 0.000 -2.748) 7.042 2.608 ( -6.847 0.000 -1.715) 7.059 2.761 ( 1.316 0.000 0.508) 1.411 2.784 ( -4.395 0.000 2.686) 5.151 2.872 ( -6.652 0.000 1.011) 6.728 3.261 ( 1.932 0.000 4.706) 5.087 3.526 ( -2.236 0.000 -6.634) 7.001 3.671 ( 3.454 0.000 -6.066) 6.980 3.862 ( -7.669 0.000 -1.273) 7.774 4.037 ( -2.348 0.000 -8.661) 8.974 4.226 ( 0.164 0.000 -1.044) 1.056 4.459 ( 6.121 0.000 -6.764) 9.123 4.593 ( -2.605 0.000 0.610) 2.676 4.859 ( -4.100 0.000 -2.031) 4.575 5.084 ( -11.675 0.000 3.910) 12.313 6.140 ( 1.584 0.000 13.108) 13.203 6.353 ( -0.110 0.000 1.966) 1.969 6.543 ( -5.244 0.000 -5.508) 7.604 6.760 ( 2.317 0.000 -1.358) 2.686 7.026 ( -2.887 0.000 5.125) 5.882 7.033 ( -6.188 0.000 -11.916) 13.426 7.794 ( 3.364 0.000 -2.584) 4.242 8.000 ( -3.411 0.000 -1.324) 3.659 8.051 ( -5.108 0.000 1.161) 5.239 8.056 ( -3.767 0.000 -0.421) 3.790 8.330 ( -0.765 0.000 11.760) 11.785 8.378 ( 10.241 0.000 10.090) 14.376 8.545 ( 3.684 0.000 -5.341) 6.488 9.257 ( 2.682 0.000 -7.271) 7.750 9.364 ( 5.498 0.000 -3.570) 6.556 9.410 ( 0.062 0.000 -2.264) 2.265 9.627 ( 1.292 0.000 3.702) 3.921 9.764 ( -1.411 0.000 -0.349) 1.453 10.001 ( 4.570 0.000 0.869) 4.652 10.083 ( 11.861 0.000 2.508) 12.124 10.474 ( -5.867 0.000 -7.460) 9.491 10.626 ( -9.367 0.000 2.859) 9.794 10.849 ( -1.416 0.000 2.274) 2.679 11.251 ( -7.495 0.000 -3.035) 8.086 11.251 ( 15.039 0.000 0.443) 15.046 12.147 ( -8.133 0.000 -3.184) 8.734 12.537 ( -1.101 0.000 7.709) 7.787 12.746 ( -0.261 0.000 -3.552) 3.562 14.880 ( 8.654 0.000 -2.408) 8.982 15.246 ( 3.003 0.000 1.848) 3.526 15.356 ( 14.879 0.000 -0.531) 14.889 15.785 ( -10.711 0.000 2.137) 10.922 16.047 ( -4.733 0.000 3.241) 5.736 16.085 ( 1.398 0.000 -0.000) 1.398 16.247 ( -0.399 0.000 11.135) 11.142 16.448 ( -0.872 0.000 1.190) 1.475 16.709 ( 5.537 0.000 -2.969) 6.282 17.516 ( -5.285 0.000 -13.199) 14.218 18.336 ( 20.966 0.000 -4.865) 21.523 19.466 ( -22.500 0.000 7.301) 23.655 ======================= Grid point 303 (146/170) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 9.318 0.000 1.346) 9.414 1.774 ( 19.291 0.000 0.363) 19.294 1.944 ( -17.079 0.000 1.348) 17.132 2.004 ( 6.082 0.000 1.349) 6.230 2.066 ( 5.013 0.000 -1.024) 5.117 2.354 ( -15.954 0.000 -2.335) 16.124 2.535 ( -2.536 0.000 6.053) 6.563 2.612 ( -5.446 0.000 -2.693) 6.075 2.830 ( 4.838 0.000 0.576) 4.872 2.895 ( -2.633 0.000 1.615) 3.088 3.433 ( 10.455 0.000 5.878) 11.994 3.480 ( 1.563 0.000 1.542) 2.195 3.600 ( -2.459 0.000 -9.595) 9.905 3.675 ( -10.701 0.000 -4.498) 11.608 3.998 ( 6.339 0.000 -1.251) 6.461 4.142 ( -7.340 0.000 -2.422) 7.729 4.493 ( 5.863 0.000 -4.862) 7.617 4.542 ( -5.006 0.000 2.558) 5.622 4.858 ( 4.434 0.000 -0.626) 4.478 4.953 ( -8.190 0.000 1.818) 8.389 6.327 ( 1.425 0.000 11.400) 11.488 6.362 ( -0.404 0.000 1.044) 1.120 6.457 ( 2.510 0.000 -1.772) 3.073 6.640 ( -8.064 0.000 -9.464) 12.434 6.955 ( 6.229 0.000 -4.655) 7.776 7.010 ( -5.071 0.000 3.794) 6.333 7.847 ( 4.957 0.000 -0.822) 5.024 7.915 ( -3.408 0.000 -0.967) 3.543 7.981 ( -1.563 0.000 -1.631) 2.259 7.994 ( -4.989 0.000 2.257) 5.476 8.448 ( -1.318 0.000 10.821) 10.901 8.515 ( 3.762 0.000 -8.482) 9.279 8.721 ( 10.000 0.000 15.358) 18.327 9.049 ( -7.994 0.000 -15.231) 17.201 9.407 ( 3.425 0.000 -2.570) 4.282 9.418 ( -0.247 0.000 0.743) 0.783 9.685 ( 0.933 0.000 3.654) 3.772 9.734 ( -1.355 0.000 -1.523) 2.039 10.116 ( 6.866 0.000 2.788) 7.410 10.283 ( -7.136 0.000 -6.251) 9.487 10.312 ( 11.389 0.000 2.224) 11.604 10.493 ( -9.451 0.000 0.332) 9.457 10.927 ( 3.932 0.000 6.156) 7.304 11.084 ( -6.701 0.000 -5.361) 8.581 11.548 ( 17.257 0.000 4.483) 17.830 11.889 ( -15.281 0.000 -6.321) 16.537 12.618 ( 0.977 0.000 6.196) 6.272 12.695 ( -0.977 0.000 -4.299) 4.409 15.034 ( 9.135 0.000 2.903) 9.585 15.210 ( -5.045 0.000 -4.560) 6.800 15.548 ( 8.870 0.000 -0.140) 8.871 15.660 ( -6.923 0.000 1.475) 7.078 16.028 ( -2.847 0.000 5.213) 5.940 16.066 ( -0.073 0.000 -4.344) 4.344 16.369 ( -0.827 0.000 11.161) 11.192 16.446 ( 1.901 0.000 -5.823) 6.125 16.862 ( 10.186 0.000 8.421) 13.216 17.190 ( -11.500 0.000 -15.280) 19.124 18.719 ( 26.049 0.000 -0.809) 26.062 19.127 ( -25.325 0.000 3.039) 25.506 ======================= Grid point 309 (147/170) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -4.714 -1.736 9.848) 11.055 1.258 ( 4.671 -1.736 -9.787) 10.982 1.691 ( 0.087 9.738 -11.590) 15.138 1.692 ( -0.074 9.727 11.586) 15.128 2.338 ( -4.251 9.804 6.552) 12.535 2.338 ( 4.258 9.814 -6.543) 12.540 2.946 ( 2.787 -5.910 -6.666) 9.334 2.946 ( -2.801 -5.894 6.641) 9.310 3.052 ( -1.305 -0.971 6.425) 6.628 3.053 ( 1.316 -0.964 -6.399) 6.604 3.567 ( -0.858 -2.063 -6.969) 7.318 3.567 ( 0.857 -2.064 6.974) 7.323 3.884 ( -0.315 3.203 -3.289) 4.602 3.884 ( 0.310 3.200 3.289) 4.600 4.172 ( 0.815 -1.607 -0.843) 1.989 4.172 ( -0.815 -1.601 0.847) 1.986 4.415 ( 1.341 -2.097 -4.795) 5.403 4.415 ( -1.340 -2.093 4.795) 5.401 5.572 ( 2.252 -4.873 -5.700) 7.830 5.572 ( -2.255 -4.873 5.703) 7.833 6.170 ( -4.121 -2.450 3.122) 5.721 6.170 ( 4.122 -2.453 -3.115) 5.719 6.694 ( 2.831 -5.356 0.956) 6.134 6.694 ( -2.829 -5.355 -0.952) 6.131 7.064 ( -2.435 7.823 4.819) 9.505 7.064 ( 2.446 7.817 -4.820) 9.504 7.594 ( -0.857 -3.084 -1.688) 3.619 7.594 ( 0.857 -3.088 1.691) 3.623 7.895 ( -7.578 -4.779 -1.820) 9.142 7.895 ( 7.572 -4.779 1.843) 9.141 8.740 ( -1.698 -1.386 5.490) 5.911 8.740 ( 1.679 -1.385 -5.497) 5.912 9.011 ( -4.603 -0.818 -4.658) 6.599 9.012 ( 4.598 -0.821 4.674) 6.608 9.122 ( -5.711 -1.924 4.278) 7.391 9.123 ( 5.703 -1.935 -4.267) 7.381 9.643 ( -6.146 3.162 -5.613) 8.904 9.643 ( 6.146 3.163 5.613) 8.904 9.857 ( 5.680 5.846 -1.514) 8.290 9.857 ( -5.685 5.843 1.515) 8.292 10.760 ( -5.715 -5.544 -12.059) 14.450 10.761 ( 5.727 -5.548 12.058) 14.456 11.164 ( -4.955 -0.528 6.656) 8.315 11.165 ( 4.944 -0.533 -6.641) 8.296 11.732 ( -0.789 2.916 -7.850) 8.412 11.732 ( 0.785 2.917 7.849) 8.410 12.691 ( -7.758 3.303 6.382) 10.574 12.692 ( 7.758 3.302 -6.381) 10.573 14.480 ( 9.129 1.375 -20.395) 22.388 14.480 ( -9.143 1.362 20.404) 22.401 15.504 ( -4.617 -0.558 -17.673) 18.274 15.504 ( 4.617 -0.565 17.665) 18.267 16.081 ( -3.687 -5.870 2.286) 7.299 16.081 ( 3.681 -5.874 -2.280) 7.297 16.387 ( 2.137 0.761 -7.475) 7.812 16.387 ( -2.143 0.760 7.478) 7.816 16.811 ( -1.774 13.613 -1.865) 13.854 16.811 ( 1.775 13.625 1.869) 13.867 19.369 ( -0.282 -7.779 -24.756) 25.951 19.369 ( 0.282 -7.781 24.765) 25.960 ======================= Grid point 311 (148/170) ======================= q-point: ( 0.09 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 14.908 -3.709 -18.692) 24.195 1.351 ( -2.466 1.001 14.841) 15.078 1.598 ( 3.087 7.319 -10.332) 13.033 1.859 ( 6.979 9.506 7.449) 13.948 2.179 ( -11.428 6.078 -4.708) 13.774 2.307 ( 2.060 13.082 -7.055) 15.005 2.893 ( -1.289 -4.772 -4.693) 6.816 2.928 ( -4.402 -4.161 1.242) 6.183 3.037 ( 1.039 0.796 -1.972) 2.367 3.140 ( -0.690 -4.007 9.231) 10.087 3.465 ( -3.136 -3.790 -5.587) 7.444 3.655 ( -0.158 -0.570 7.685) 7.708 3.818 ( -3.561 1.931 -1.630) 4.366 3.893 ( -1.952 1.257 0.777) 2.448 4.173 ( 2.406 -3.052 -3.104) 4.973 4.207 ( 1.584 2.845 1.783) 3.713 4.393 ( 2.637 -3.324 -4.144) 5.931 4.462 ( 0.839 -2.317 3.552) 4.323 5.481 ( -5.939 -4.098 -4.766) 8.648 5.540 ( -10.225 -4.108 7.181) 13.153 6.075 ( -9.113 -0.638 2.062) 9.365 6.199 ( 2.450 -2.114 -0.546) 3.282 6.611 ( -0.057 -8.005 1.482) 8.141 6.879 ( 4.707 -2.368 1.575) 5.499 7.062 ( -4.833 6.569 3.769) 8.984 7.131 ( 10.441 5.022 2.439) 11.840 7.587 ( 2.277 -3.888 -2.614) 5.209 7.654 ( 4.716 -4.142 0.246) 6.281 7.761 ( -4.764 -2.768 -1.727) 5.774 8.035 ( 7.000 -5.809 0.422) 9.106 8.652 ( -1.949 0.161 -8.210) 8.440 8.703 ( -7.126 0.262 3.019) 7.743 8.798 ( -5.201 -3.099 -10.481) 12.104 8.992 ( -2.395 2.441 -6.582) 7.418 9.246 ( 6.568 -2.251 4.898) 8.496 9.289 ( 5.542 -1.523 11.613) 12.957 9.499 ( -2.629 1.977 -4.673) 5.715 9.670 ( -6.607 4.422 -3.941) 8.874 9.805 ( 6.369 4.039 3.229) 8.203 10.021 ( 6.086 6.655 1.352) 9.119 10.546 ( -3.588 0.739 -6.725) 7.658 10.878 ( -7.885 -7.639 4.513) 11.870 11.153 ( 1.659 -9.571 2.561) 10.046 11.205 ( 3.087 4.019 -2.053) 5.468 11.537 ( 0.497 4.433 -16.009) 16.619 11.934 ( 0.740 5.250 16.426) 17.261 12.612 ( -9.339 4.235 6.578) 12.183 12.759 ( 7.127 0.638 -5.329) 8.922 14.483 ( 16.791 0.920 -16.841) 23.799 14.633 ( -1.332 1.474 20.600) 20.695 15.244 ( -4.080 1.079 -13.625) 14.264 15.739 ( -1.771 -1.280 18.288) 18.418 15.981 ( -0.948 -5.806 -4.764) 7.570 16.184 ( 1.362 -4.872 3.655) 6.242 16.364 ( 3.947 4.044 -6.860) 8.888 16.484 ( 4.735 0.302 5.901) 7.572 16.760 ( -1.568 9.735 -1.564) 9.984 16.876 ( 3.811 12.880 3.344) 13.842 19.027 ( -4.584 -7.231 -27.647) 28.942 19.594 ( -5.700 -8.393 22.262) 24.465 ======================= Grid point 312 (149/170) ======================= q-point: ( 0.18 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 15.447 -3.223 -17.312) 23.425 1.426 ( 6.014 0.870 -8.349) 10.327 1.595 ( -0.518 8.885 7.747) 11.800 1.936 ( -9.475 1.198 1.280) 9.636 2.095 ( 12.317 13.514 0.746) 18.300 2.331 ( 4.808 8.240 1.689) 9.688 2.795 ( -3.805 -3.678 -4.835) 7.168 2.851 ( -5.677 -3.666 0.160) 6.760 2.994 ( -3.440 2.871 -2.275) 5.025 3.197 ( -3.667 -4.764 6.912) 9.161 3.327 ( -7.115 -3.743 -4.688) 9.306 3.681 ( -4.633 -3.181 0.660) 5.658 3.767 ( -1.542 2.432 0.697) 2.963 3.872 ( 0.162 -2.295 0.799) 2.435 4.169 ( 1.933 -3.270 -4.460) 5.859 4.226 ( 0.911 3.199 -2.682) 4.272 4.417 ( 5.388 -1.421 -3.779) 6.733 4.518 ( 0.523 -3.322 4.341) 5.491 5.287 ( -10.263 -1.676 -5.044) 11.558 5.405 ( -15.408 -2.401 7.391) 17.256 5.980 ( -5.588 -0.964 3.966) 6.920 6.249 ( 2.874 -1.317 1.280) 3.411 6.648 ( 1.971 -6.211 -0.074) 6.517 6.926 ( -1.666 -1.415 3.518) 4.142 6.976 ( -5.092 7.541 -0.818) 9.136 7.330 ( 1.453 -5.807 3.523) 6.946 7.600 ( 4.236 -4.766 0.227) 6.381 7.698 ( 1.129 -5.279 -0.674) 5.440 7.805 ( 9.849 1.097 1.523) 10.027 8.106 ( 0.989 -5.899 -0.037) 5.981 8.509 ( -2.419 1.300 -9.552) 9.939 8.589 ( -8.419 4.057 -2.002) 9.557 8.650 ( -5.662 -0.652 -2.567) 6.251 8.899 ( 7.821 1.010 -8.790) 11.809 9.391 ( 2.969 -0.359 -1.903) 3.545 9.411 ( 1.404 0.484 4.808) 5.032 9.519 ( 2.585 2.756 6.948) 7.909 9.605 ( 4.031 1.801 -0.602) 4.456 9.922 ( 4.365 3.286 1.448) 5.652 10.062 ( 1.450 8.397 -3.999) 9.413 10.523 ( 0.183 3.853 4.033) 5.581 10.735 ( -7.537 -8.886 -0.417) 11.659 11.079 ( -5.530 -9.049 -7.106) 12.766 11.260 ( 2.751 9.059 -2.423) 9.773 11.430 ( 1.062 2.237 -5.585) 6.110 12.111 ( 1.368 5.101 11.169) 12.355 12.542 ( -7.473 3.056 6.414) 10.312 12.798 ( 4.002 -1.051 -4.481) 6.099 14.626 ( 17.326 -0.898 -11.062) 20.575 14.854 ( 5.148 0.741 11.321) 12.458 15.126 ( 3.230 6.038 -2.653) 7.344 15.825 ( -7.210 -5.068 10.637) 13.814 15.976 ( 1.876 -1.449 3.000) 3.823 16.205 ( -1.194 -2.901 0.998) 3.292 16.327 ( -1.211 6.911 -4.847) 8.528 16.598 ( 2.383 2.419 2.503) 4.219 16.716 ( -2.260 10.501 -2.070) 10.939 17.093 ( 16.119 2.378 6.631) 17.591 18.621 ( -6.654 -7.123 -27.386) 29.069 19.671 ( -11.963 -8.868 17.466) 22.952 ======================= Grid point 313 (150/170) ======================= q-point: ( 0.27 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 15.709 1.846 -16.478) 22.841 1.486 ( 11.835 -0.483 -7.137) 13.828 1.675 ( -2.241 8.477 9.789) 13.142 1.889 ( -3.801 0.891 9.525) 10.294 2.289 ( 9.461 14.544 -1.920) 17.456 2.481 ( 4.397 -1.395 9.712) 10.752 2.686 ( -2.522 -2.879 -4.077) 5.592 2.751 ( -6.612 -1.556 0.045) 6.793 2.895 ( -4.938 4.164 -1.094) 6.551 3.115 ( -12.175 -1.967 -4.389) 13.091 3.190 ( -3.852 -4.495 4.187) 7.251 3.586 ( -4.051 -5.480 -2.871) 7.395 3.706 ( -0.575 0.846 -6.936) 7.011 3.912 ( -0.793 -2.120 3.148) 3.878 4.124 ( -0.370 -2.845 -6.333) 6.952 4.200 ( 2.121 -0.682 -5.337) 5.784 4.465 ( 5.084 1.576 -3.581) 6.415 4.564 ( -0.636 -3.545 3.410) 4.960 5.057 ( -9.993 1.120 -5.104) 11.277 5.226 ( -14.575 -1.240 5.771) 15.725 5.985 ( -1.584 -2.356 7.410) 7.935 6.314 ( 2.605 -0.378 1.987) 3.298 6.667 ( 1.657 -1.891 -2.182) 3.329 6.806 ( -6.341 2.638 -2.882) 7.448 7.006 ( 0.088 1.889 4.416) 4.804 7.220 ( -8.954 -5.842 -5.616) 12.077 7.666 ( -1.243 -10.469 -0.130) 10.543 7.756 ( 3.313 -8.462 5.049) 10.396 7.994 ( 5.224 -2.762 1.495) 6.095 8.139 ( 5.311 0.958 3.707) 6.547 8.385 ( -3.956 4.949 -5.683) 8.511 8.417 ( -4.679 6.643 -2.030) 8.375 8.544 ( -1.489 -0.158 -3.983) 4.255 9.070 ( 14.661 -2.110 -0.601) 14.824 9.367 ( 2.513 3.502 -3.855) 5.783 9.519 ( 2.422 1.656 3.244) 4.374 9.597 ( 2.573 6.737 3.142) 7.866 9.741 ( 6.340 -0.760 2.861) 6.997 9.950 ( -1.405 3.008 -2.456) 4.129 10.052 ( 3.772 7.180 -1.605) 8.268 10.512 ( -4.297 -3.259 0.733) 5.443 10.706 ( -2.696 -3.549 3.701) 5.793 10.892 ( -4.194 -4.684 -6.559) 9.086 11.275 ( 5.798 16.217 -4.086) 17.700 11.381 ( -3.703 -0.463 -1.112) 3.894 12.198 ( -1.404 1.222 3.687) 4.130 12.525 ( -3.302 1.995 6.165) 7.272 12.785 ( 0.307 -0.854 -4.186) 4.283 14.738 ( 8.595 -2.762 -5.974) 10.825 15.079 ( 14.642 1.996 1.375) 14.841 15.286 ( 9.327 10.729 7.165) 15.920 15.795 ( -6.463 -5.971 5.236) 10.239 16.058 ( 1.358 1.338 3.484) 3.971 16.181 ( -5.659 -0.950 6.077) 8.358 16.243 ( -0.836 5.500 -3.376) 6.508 16.626 ( -5.638 13.178 -2.244) 14.508 16.651 ( 2.948 0.033 -0.161) 2.952 17.457 ( 16.302 -1.261 3.977) 16.828 18.243 ( -2.153 -8.210 -22.838) 24.364 19.591 ( -17.693 -9.116 12.108) 23.297 ======================= Grid point 314 (151/170) ======================= q-point: ( 0.36 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 19.617 4.855 -5.882) 21.047 1.588 ( 4.870 -2.568 -1.584) 5.729 1.753 ( 5.536 1.925 0.598) 5.891 2.001 ( -1.147 2.401 15.249) 15.479 2.315 ( -5.752 11.572 0.913) 12.955 2.555 ( -1.139 -0.180 -1.538) 1.922 2.626 ( -8.301 1.395 1.269) 8.512 2.710 ( 4.937 -2.694 3.207) 6.474 2.801 ( -11.397 0.231 -2.671) 11.709 2.912 ( -2.229 2.927 0.657) 3.737 3.204 ( 1.668 -4.979 3.327) 6.216 3.499 ( -2.677 -3.961 -1.704) 5.076 3.635 ( 2.031 -1.368 -8.061) 8.425 3.865 ( -3.958 0.007 -3.607) 5.355 4.020 ( -2.653 -1.726 -6.947) 7.634 4.178 ( 1.069 -3.573 -4.494) 5.840 4.498 ( 2.676 1.902 -2.435) 4.088 4.566 ( -2.168 -3.455 1.144) 4.236 4.883 ( -4.240 2.118 -3.048) 5.635 5.069 ( -10.747 -0.657 3.702) 11.386 6.088 ( 1.697 -4.090 10.551) 11.442 6.370 ( 1.493 1.128 1.812) 2.604 6.594 ( -4.170 3.407 -5.093) 7.412 6.771 ( 2.644 0.591 -1.817) 3.262 6.964 ( -5.337 -4.376 -9.048) 11.380 7.053 ( -4.434 1.613 4.043) 6.213 7.636 ( -0.678 -11.055 -0.692) 11.097 7.784 ( -4.403 -11.225 1.825) 12.195 8.060 ( 0.270 -7.805 6.121) 9.923 8.188 ( -1.602 6.244 -2.971) 7.098 8.321 ( -0.131 5.973 0.058) 5.975 8.422 ( 3.330 -3.093 -3.745) 5.889 8.588 ( 7.746 8.309 8.044) 13.919 9.227 ( 4.630 -0.082 -4.401) 6.388 9.409 ( 5.502 3.683 -0.670) 6.655 9.557 ( 0.444 9.072 -0.442) 9.093 9.678 ( 2.500 5.656 3.040) 6.890 9.792 ( -1.201 2.685 -1.670) 3.382 9.936 ( 3.687 -3.157 1.451) 5.066 10.144 ( 8.391 2.504 -0.528) 8.773 10.431 ( -4.927 -2.322 -3.760) 6.618 10.585 ( -9.378 -4.985 -0.789) 10.650 10.886 ( 1.650 2.872 4.194) 5.344 11.277 ( -5.769 1.883 -3.049) 6.791 11.404 ( 12.230 14.435 0.508) 18.926 12.147 ( -5.939 0.894 -2.062) 6.349 12.550 ( -1.287 0.409 4.763) 4.950 12.728 ( -1.533 -1.524 -3.605) 4.203 14.837 ( 8.623 -1.298 -0.172) 8.722 15.291 ( 7.527 2.591 -1.460) 8.093 15.513 ( 10.395 13.432 2.924) 17.234 15.732 ( -5.347 -2.729 2.162) 6.381 16.038 ( -3.043 0.822 1.867) 3.663 16.242 ( -2.237 3.850 9.286) 10.299 16.256 ( 3.479 1.309 3.486) 5.096 16.491 ( -5.262 8.466 -4.365) 10.882 16.706 ( 4.008 0.805 0.726) 4.152 17.493 ( -6.252 -2.034 -13.347) 14.878 18.242 ( 20.736 -9.021 -4.016) 22.967 19.367 ( -22.125 -9.096 6.933) 24.907 ======================= Grid point 315 (152/170) ======================= q-point: ( 0.45 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 6.688 -4.508 -0.257) 8.070 1.779 ( -1.642 -7.137 -2.338) 7.687 1.837 ( 13.642 4.765 5.191) 15.355 2.076 ( -6.792 5.124 2.243) 8.799 2.242 ( 4.436 9.942 -1.010) 10.934 2.442 ( -11.799 6.372 -3.503) 13.859 2.566 ( -3.145 3.323 6.572) 8.008 2.613 ( -3.646 0.304 -1.291) 3.880 2.823 ( 5.079 -0.708 1.582) 5.366 2.901 ( -3.008 0.374 0.307) 3.046 3.318 ( 6.986 -6.963 2.796) 10.252 3.477 ( -4.185 -6.690 -2.362) 8.237 3.567 ( 2.459 2.851 0.441) 3.790 3.731 ( -5.493 2.438 -7.935) 9.954 3.972 ( 4.787 -2.166 -0.511) 5.279 4.099 ( -5.423 -3.466 -3.585) 7.367 4.504 ( 2.735 -0.024 -3.121) 4.149 4.531 ( -3.796 -1.943 2.142) 4.772 4.866 ( 4.043 0.813 -1.079) 4.263 4.951 ( -7.592 -0.018 1.891) 7.824 6.257 ( 3.599 -5.143 10.278) 12.043 6.385 ( -2.032 -0.663 -1.696) 2.728 6.512 ( 2.337 4.719 -1.878) 5.591 6.648 ( -7.691 2.267 -7.326) 10.862 6.936 ( 7.066 -1.534 -2.601) 7.685 7.017 ( -5.807 0.542 3.104) 6.607 7.645 ( 2.385 -11.327 -0.020) 11.576 7.708 ( -4.995 -11.123 0.168) 12.194 8.114 ( -0.775 -0.253 4.001) 4.083 8.141 ( -0.537 3.970 -1.965) 4.462 8.347 ( -1.322 -0.167 6.326) 6.465 8.398 ( 3.084 -6.280 -8.498) 11.008 8.866 ( 9.309 9.914 12.204) 18.272 9.124 ( -5.677 6.313 -10.180) 13.256 9.483 ( 3.488 5.973 0.197) 6.919 9.535 ( -1.320 8.691 -1.718) 8.957 9.737 ( 1.079 4.809 2.015) 5.325 9.761 ( -0.731 2.583 -0.438) 2.720 10.064 ( 7.339 -3.826 4.226) 9.293 10.253 ( -6.208 -2.793 -7.757) 10.321 10.299 ( 8.232 -1.170 0.891) 8.362 10.445 ( -9.055 -3.831 1.313) 9.919 10.991 ( 4.049 4.865 5.724) 8.534 11.134 ( -5.803 3.873 -4.825) 8.483 11.665 ( 15.178 11.058 4.143) 19.230 11.954 ( -12.145 6.121 -5.170) 14.549 12.595 ( 0.655 -2.282 4.246) 4.865 12.660 ( -1.687 -2.991 -3.684) 5.036 15.019 ( 9.800 0.529 4.897) 10.968 15.235 ( -6.606 2.168 -6.696) 9.653 15.664 ( 5.399 9.188 0.135) 10.658 15.705 ( -1.514 2.746 1.512) 3.481 16.078 ( 3.748 5.500 4.281) 7.913 16.217 ( -6.851 12.076 -1.353) 13.950 16.362 ( 0.214 -0.373 7.624) 7.637 16.416 ( 1.380 -1.922 -3.996) 4.644 16.848 ( 9.001 -1.043 7.780) 11.943 17.159 ( -11.512 -2.823 -14.931) 19.064 18.627 ( 25.544 -8.611 -0.289) 26.958 19.031 ( -24.830 -8.853 2.688) 26.498 ======================= Grid point 321 (153/170) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -1.017 9.360 3.369) 9.999 1.343 ( 0.992 9.345 -3.304) 9.961 1.886 ( -0.770 8.902 -10.019) 13.425 1.887 ( 0.771 8.894 10.006) 13.410 2.521 ( -3.774 4.085 3.279) 6.456 2.521 ( 3.777 4.082 -3.269) 6.451 2.784 ( 3.581 -6.656 -4.416) 8.753 2.784 ( -3.580 -6.667 4.421) 8.764 3.043 ( -4.354 -0.228 3.765) 5.761 3.043 ( 4.350 -0.253 -3.766) 5.760 3.469 ( 2.369 -7.128 7.252) 10.441 3.469 ( -2.369 -7.125 -7.249) 10.436 3.973 ( 0.457 4.715 -2.229) 5.236 3.973 ( -0.465 4.707 2.229) 5.229 4.130 ( -0.760 -1.304 -3.126) 3.472 4.130 ( 0.766 -1.309 3.125) 3.474 4.393 ( 0.353 0.598 0.019) 0.695 4.393 ( -0.355 0.598 -0.015) 0.696 5.432 ( 1.119 -8.033 -3.736) 8.930 5.432 ( -1.120 -8.033 3.740) 8.931 6.094 ( -1.727 -4.515 -1.112) 4.960 6.094 ( 1.726 -4.514 1.117) 4.961 6.584 ( 1.543 -4.984 0.642) 5.257 6.584 ( -1.537 -4.985 -0.636) 5.255 7.217 ( 0.022 6.163 2.814) 6.775 7.217 ( -0.022 6.157 -2.814) 6.769 7.517 ( -0.596 -3.754 1.731) 4.177 7.517 ( 0.597 -3.750 -1.725) 4.171 7.762 ( -6.256 -7.282 -0.367) 9.608 7.762 ( 6.256 -7.280 0.380) 9.606 8.727 ( 0.359 0.477 3.792) 3.838 8.727 ( -0.371 0.470 -3.788) 3.835 8.960 ( -5.484 -2.917 -13.674) 15.019 8.960 ( 5.467 -2.920 13.689) 15.027 9.096 ( -2.908 -1.681 -2.989) 4.496 9.097 ( 2.912 -1.694 2.989) 4.504 9.727 ( -4.953 4.238 -3.268) 7.292 9.727 ( 4.950 4.240 3.268) 7.291 9.982 ( 3.596 5.073 -1.816) 6.479 9.982 ( -3.594 5.067 1.824) 6.474 10.652 ( -4.841 -3.494 -1.560) 6.170 10.652 ( 4.847 -3.498 1.561) 6.178 11.109 ( -7.369 -4.655 4.250) 9.697 11.110 ( 7.362 -4.664 -4.240) 9.692 11.855 ( 0.558 8.483 6.418) 10.651 11.855 ( -0.562 8.484 -6.417) 10.652 12.763 ( -2.125 3.043 3.883) 5.371 12.764 ( 2.122 3.040 -3.882) 5.368 14.522 ( 6.307 2.635 -15.692) 17.116 14.522 ( -6.316 2.619 15.695) 17.120 15.493 ( -4.924 -0.240 -13.319) 14.202 15.493 ( 4.925 -0.249 13.311) 14.196 15.936 ( -1.165 -8.007 -7.566) 11.078 15.936 ( 1.160 -8.004 7.571) 11.079 16.367 ( 3.675 -1.659 -6.727) 7.843 16.368 ( -3.679 -1.663 6.735) 7.853 17.175 ( -4.241 19.524 -3.410) 20.269 17.175 ( 4.239 19.524 3.415) 20.268 19.143 ( -1.028 -13.129 -19.734) 23.725 19.144 ( 1.027 -13.132 19.743) 23.734 ======================= Grid point 323 (154/170) ======================= q-point: ( 0.09 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 8.361 8.225 -11.720) 16.581 1.438 ( 2.305 7.399 4.773) 9.102 1.774 ( -1.459 9.441 -2.385) 9.847 2.036 ( 4.651 7.696 3.198) 9.544 2.300 ( -10.978 3.736 -1.632) 11.711 2.593 ( 3.263 9.618 -6.161) 11.879 2.778 ( 0.544 -2.931 -3.830) 4.853 2.789 ( -4.289 -8.985 6.599) 11.944 2.981 ( -3.128 -3.918 2.744) 5.715 3.118 ( 2.367 -0.081 0.407) 2.403 3.336 ( -3.747 -8.231 -6.297) 11.020 3.581 ( 0.555 -6.359 6.234) 8.922 3.876 ( -6.228 2.677 0.277) 6.785 3.937 ( -3.917 3.650 -2.579) 5.943 4.112 ( 2.815 -1.385 -5.200) 6.073 4.253 ( 5.944 -0.268 5.270) 7.948 4.346 ( -1.283 0.987 -3.718) 4.055 4.424 ( 0.979 -0.687 1.187) 1.685 5.366 ( -4.800 -6.455 -2.194) 8.338 5.416 ( -6.838 -7.401 5.185) 11.332 6.030 ( -5.158 -3.393 -0.339) 6.183 6.148 ( 2.663 -2.837 1.446) 4.151 6.470 ( -2.380 -5.012 2.763) 6.199 6.760 ( 5.617 -7.958 2.805) 10.136 7.164 ( -3.721 3.490 3.311) 6.082 7.264 ( 0.483 5.069 -2.381) 5.621 7.507 ( 2.362 -2.600 -3.356) 4.858 7.562 ( 4.809 -3.483 1.254) 6.069 7.681 ( -1.703 -4.461 -0.446) 4.796 7.880 ( 6.899 -8.227 0.031) 10.737 8.654 ( -0.858 0.198 -7.184) 7.237 8.712 ( -6.476 -2.334 -2.767) 7.419 8.762 ( 0.289 2.911 -5.810) 6.505 9.008 ( -0.880 -1.585 -7.512) 7.728 9.187 ( 4.860 -2.557 9.028) 10.567 9.252 ( 6.795 -2.258 8.926) 11.443 9.596 ( -3.259 6.165 -4.053) 8.066 9.766 ( -3.218 4.677 -1.572) 5.890 9.916 ( 3.993 5.542 -0.147) 6.832 10.130 ( 5.015 2.608 2.817) 6.316 10.572 ( 0.320 1.204 -1.207) 1.735 10.737 ( -4.334 -3.828 3.154) 6.586 10.943 ( -6.914 -9.425 -1.659) 11.807 11.213 ( 5.863 -3.393 -1.841) 7.019 11.707 ( 2.364 11.733 -12.088) 17.011 12.080 ( 3.368 8.018 15.459) 17.737 12.694 ( -6.689 2.615 0.783) 7.224 12.777 ( 1.802 1.151 -2.682) 3.430 14.518 ( 13.482 2.486 -13.261) 19.073 14.672 ( 1.693 2.063 15.318) 15.549 15.292 ( -2.307 3.712 -9.144) 10.134 15.692 ( -0.226 -2.910 11.964) 12.314 15.865 ( 1.289 -5.550 -2.222) 6.116 16.052 ( 2.355 -7.969 4.902) 9.648 16.381 ( 4.835 -1.126 -4.096) 6.437 16.452 ( 6.932 -2.276 4.843) 8.757 17.034 ( -6.615 15.856 -4.339) 17.720 17.261 ( 0.901 20.983 3.799) 21.343 18.821 ( -5.425 -11.604 -24.970) 28.063 19.349 ( -5.274 -14.537 20.021) 25.298 ======================= Grid point 324 (155/170) ======================= q-point: ( 0.18 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 10.001 6.420 -9.388) 15.145 1.485 ( 5.870 4.847 -6.594) 10.071 1.810 ( 0.724 10.689 6.882) 12.733 1.985 ( -7.676 3.528 -0.508) 8.463 2.301 ( 2.588 7.082 8.870) 11.642 2.572 ( 3.944 6.858 -6.313) 10.122 2.714 ( -2.362 1.145 -3.927) 4.723 2.769 ( -4.487 -3.991 4.029) 7.231 2.975 ( -2.690 -5.867 2.383) 6.880 3.123 ( -2.373 -1.400 0.872) 2.890 3.203 ( -5.551 -7.838 -4.180) 10.475 3.574 ( -5.669 -7.317 -0.976) 9.307 3.814 ( -2.798 1.747 -0.786) 3.391 3.848 ( -2.306 1.186 0.149) 2.597 4.093 ( 2.668 -2.728 -5.815) 6.955 4.267 ( -1.528 0.128 -6.113) 6.302 4.396 ( 5.372 -0.393 1.997) 5.745 4.454 ( 0.276 -2.229 2.587) 3.426 5.235 ( -7.587 -3.075 -2.405) 8.533 5.326 ( -11.202 -5.142 5.505) 13.499 5.945 ( -4.486 -1.996 1.211) 5.057 6.217 ( 3.370 -1.742 2.094) 4.333 6.531 ( 3.708 -4.787 2.888) 6.709 6.818 ( -1.236 -8.769 1.703) 9.018 7.118 ( -4.121 5.294 0.214) 6.713 7.221 ( -2.531 -3.179 -0.786) 4.139 7.485 ( -2.483 -5.575 0.003) 6.103 7.611 ( -0.493 -2.823 0.226) 2.875 7.806 ( 13.523 -0.706 0.401) 13.547 7.966 ( 4.373 -6.581 -0.870) 7.949 8.515 ( -0.846 0.078 -9.587) 9.625 8.651 ( -0.983 1.069 -0.192) 1.465 8.711 ( -3.282 6.250 -3.950) 8.089 8.902 ( 4.086 -1.234 -9.122) 10.072 9.338 ( 4.461 -2.352 4.861) 7.004 9.455 ( 3.730 -0.605 7.922) 8.777 9.576 ( 4.013 5.600 0.513) 6.909 9.729 ( 0.750 7.813 1.790) 8.050 9.995 ( 4.392 3.277 -0.744) 5.530 10.201 ( 2.643 3.511 -0.984) 4.503 10.567 ( -10.259 -4.763 -2.605) 11.607 10.628 ( 2.154 3.612 2.850) 5.080 10.861 ( -3.169 -9.022 -1.971) 9.764 11.290 ( 3.787 -4.332 0.874) 5.820 11.649 ( 4.174 16.142 -8.307) 18.628 12.262 ( 0.549 8.529 9.146) 12.518 12.581 ( -6.262 -0.207 0.015) 6.265 12.776 ( 1.485 -1.014 -2.273) 2.898 14.633 ( 13.024 2.035 -7.848) 15.341 14.886 ( 8.587 1.716 7.564) 11.572 15.270 ( 5.591 7.486 1.668) 9.491 15.738 ( -1.527 -2.459 2.867) 4.074 15.936 ( 1.790 -3.341 6.853) 7.831 16.105 ( -0.200 -6.429 2.246) 6.813 16.415 ( 4.825 1.535 -5.549) 7.512 16.643 ( 5.785 2.218 1.642) 6.409 16.917 ( -1.732 7.149 1.799) 7.573 17.309 ( 1.414 17.833 3.567) 18.242 18.423 ( -8.494 -10.557 -25.084) 28.510 19.411 ( -11.403 -15.559 15.608) 24.814 ======================= Grid point 325 (156/170) ======================= q-point: ( 0.27 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 11.356 5.300 -6.585) 14.157 1.536 ( 8.478 5.547 -4.466) 11.072 1.857 ( -3.983 6.824 3.888) 8.806 1.940 ( -2.705 4.647 10.104) 11.445 2.438 ( 0.291 0.538 7.620) 7.644 2.584 ( 2.252 -2.787 -0.859) 3.685 2.651 ( 0.616 11.127 -3.041) 11.552 2.735 ( -4.694 -0.111 2.061) 5.127 2.947 ( -1.865 0.038 0.393) 1.907 3.045 ( -6.197 -5.725 -4.169) 9.411 3.078 ( -5.951 -3.923 2.699) 7.622 3.442 ( -5.617 -7.893 -2.521) 10.011 3.722 ( -0.558 1.174 -7.963) 8.068 3.870 ( 0.518 -1.619 1.874) 2.530 4.062 ( 0.044 -2.603 -5.501) 6.086 4.176 ( 0.523 -1.051 -7.395) 7.487 4.445 ( 0.356 -3.702 -0.224) 3.726 4.495 ( -0.055 -2.798 2.634) 3.843 5.075 ( -7.405 0.555 -3.546) 8.229 5.188 ( -11.578 -2.552 4.396) 12.645 5.929 ( -0.989 -2.468 4.063) 4.855 6.301 ( 3.820 -1.536 1.819) 4.502 6.614 ( 3.971 -3.615 -0.501) 5.394 6.770 ( -2.475 -4.900 -2.333) 5.965 7.084 ( -2.332 5.017 1.271) 5.676 7.135 ( -5.976 -1.477 -1.296) 6.291 7.442 ( -3.739 -9.165 2.128) 10.125 7.607 ( -1.744 -5.817 2.133) 6.436 7.891 ( -0.563 -5.162 -1.861) 5.516 8.090 ( 9.833 -6.218 -3.598) 12.178 8.485 ( 4.127 5.281 -2.905) 7.305 8.566 ( -3.325 7.109 -4.892) 9.248 8.617 ( 0.337 6.124 -1.721) 6.370 9.030 ( 13.035 -1.902 1.498) 13.258 9.422 ( 3.081 0.776 -0.318) 3.193 9.572 ( 2.218 3.347 7.531) 8.534 9.704 ( 5.713 1.052 3.660) 6.866 9.818 ( 5.644 9.724 2.409) 11.498 10.018 ( 0.465 2.566 -3.234) 4.155 10.180 ( -0.989 4.752 -4.814) 6.837 10.431 ( -3.996 -3.938 1.659) 5.851 10.613 ( -6.050 -6.428 -3.021) 9.330 10.855 ( 3.749 2.633 2.329) 5.139 11.332 ( -0.249 -3.676 0.704) 3.751 11.663 ( 6.156 19.085 -3.923) 20.434 12.274 ( -4.248 5.532 0.471) 6.991 12.530 ( -1.667 -1.710 1.723) 2.945 12.765 ( -0.073 -1.269 -2.685) 2.970 14.745 ( 8.387 3.860 -2.315) 9.518 15.140 ( 14.686 2.773 2.677) 15.184 15.459 ( 7.301 4.268 8.382) 11.907 15.770 ( 4.021 4.725 1.396) 6.360 16.015 ( -0.522 -6.139 2.850) 6.789 16.137 ( 0.075 -2.465 6.153) 6.629 16.365 ( -0.074 7.014 -10.455) 12.590 16.654 ( -0.436 2.944 1.143) 3.188 16.964 ( -3.330 11.945 3.587) 12.909 17.467 ( 11.389 4.391 5.571) 13.418 18.010 ( -7.159 -12.318 -23.055) 27.102 19.323 ( -16.914 -16.105 10.610) 25.652 ======================= Grid point 326 (157/170) ======================= q-point: ( 0.36 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 5.135 -1.710 -3.918) 6.681 1.705 ( 14.380 10.405 0.417) 17.755 1.785 ( -7.155 0.845 2.481) 7.620 2.097 ( 3.054 5.450 13.429) 14.811 2.408 ( -5.949 -4.111 -0.401) 7.242 2.621 ( -6.176 -1.954 1.126) 6.575 2.653 ( 0.327 7.437 1.681) 7.632 2.694 ( 3.278 1.123 1.599) 3.816 2.817 ( -9.424 2.300 -1.544) 9.823 2.976 ( -2.787 2.282 -0.833) 3.698 3.090 ( 4.675 -3.295 2.538) 6.257 3.365 ( -2.744 -7.401 1.464) 8.028 3.643 ( 1.604 1.587 -7.783) 8.103 3.855 ( -0.570 -1.115 -5.249) 5.397 3.973 ( -1.926 -2.162 -5.412) 6.138 4.115 ( 0.493 -2.086 -6.776) 7.107 4.435 ( -2.304 -7.817 1.810) 8.348 4.489 ( -2.030 -4.037 -0.114) 4.520 4.937 ( -3.915 2.725 -3.135) 5.708 5.058 ( -8.879 -0.556 2.766) 9.316 6.000 ( 1.986 -3.743 6.942) 8.133 6.359 ( 1.460 -4.076 -1.020) 4.448 6.609 ( 0.100 -0.566 -3.848) 3.891 6.784 ( 6.829 0.037 -1.182) 6.931 6.949 ( -8.588 4.327 -4.401) 10.576 7.091 ( -3.807 1.692 2.869) 5.059 7.420 ( -1.241 -8.492 1.720) 8.752 7.582 ( -5.051 -7.844 2.713) 9.716 7.873 ( -1.318 -8.027 3.580) 8.887 8.112 ( 3.083 -10.468 -9.474) 14.451 8.450 ( 1.660 7.964 -4.886) 9.489 8.512 ( -1.342 6.792 -1.441) 7.072 8.793 ( 11.733 10.360 8.480) 17.802 9.251 ( 8.651 1.177 1.721) 8.899 9.477 ( 4.646 2.491 0.355) 5.284 9.673 ( -0.495 2.979 5.998) 6.715 9.801 ( 2.021 0.462 2.209) 3.029 9.920 ( 2.453 11.404 -4.668) 12.564 9.940 ( -0.162 4.095 -0.736) 4.164 10.158 ( 4.853 -0.939 -2.741) 5.652 10.398 ( -3.945 -0.762 -3.971) 5.649 10.445 ( -8.083 -7.093 1.006) 10.801 10.972 ( 4.509 5.139 4.787) 8.346 11.300 ( -2.834 -0.015 -1.480) 3.198 11.772 ( 9.158 18.516 0.695) 20.669 12.203 ( -3.075 4.079 -1.338) 5.280 12.522 ( -0.990 -3.101 0.194) 3.261 12.700 ( -3.380 -1.147 -3.760) 5.184 14.888 ( 8.750 6.394 3.180) 11.294 15.353 ( 7.020 2.814 -1.157) 7.651 15.627 ( 3.375 -1.831 6.885) 7.884 15.883 ( 3.700 11.534 -4.604) 12.959 16.029 ( 4.487 0.996 6.014) 7.569 16.215 ( -0.738 -2.918 6.097) 6.800 16.298 ( 5.530 3.367 -4.161) 7.697 16.674 ( 0.457 4.074 -0.211) 4.105 16.874 ( -9.295 14.978 2.631) 17.823 17.459 ( -10.629 0.619 -14.418) 17.923 17.970 ( 20.924 -16.196 -0.427) 26.463 19.099 ( -21.090 -16.193 5.672) 27.188 ======================= Grid point 327 (158/170) ======================= q-point: ( 0.45 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 5.958 -4.243 -3.163) 7.969 1.659 ( -9.616 -4.030 2.380) 10.694 1.996 ( 14.342 9.492 4.877) 17.876 2.219 ( -5.166 8.156 1.244) 9.734 2.334 ( 2.869 -1.735 -0.378) 3.375 2.475 ( -10.017 -4.203 -1.183) 10.927 2.668 ( 1.583 5.444 1.474) 5.858 2.710 ( -2.717 6.218 1.235) 6.897 2.816 ( 4.092 1.344 3.288) 5.419 2.908 ( -3.936 0.087 -1.264) 4.135 3.200 ( 5.440 -2.181 3.242) 6.698 3.342 ( -3.807 -4.348 -2.840) 6.439 3.617 ( 1.931 1.562 3.332) 4.155 3.760 ( -1.582 0.487 -10.560) 10.689 3.925 ( 2.466 -1.999 0.160) 3.178 4.024 ( -3.873 -3.143 -4.457) 6.689 4.423 ( -0.385 -8.301 0.912) 8.360 4.448 ( -2.236 -6.167 -0.233) 6.564 4.899 ( 2.265 2.297 -1.436) 3.531 4.958 ( -6.140 0.775 1.425) 6.351 6.137 ( 3.750 -5.616 8.536) 10.884 6.291 ( -3.381 -7.188 -7.089) 10.647 6.630 ( 5.061 6.073 0.431) 7.917 6.763 ( -7.901 6.684 -3.407) 10.896 6.910 ( 9.124 0.264 -1.297) 9.220 7.030 ( -7.115 0.880 2.089) 7.468 7.444 ( 2.525 -7.487 0.586) 7.923 7.510 ( -5.394 -7.531 0.879) 9.305 7.929 ( -0.763 -10.621 8.760) 13.789 8.026 ( 0.922 -11.150 -10.414) 15.285 8.456 ( 3.187 8.023 -2.343) 8.946 8.484 ( -1.958 7.769 0.613) 8.036 9.078 ( 10.170 10.014 8.370) 16.546 9.276 ( -3.668 7.381 -4.404) 9.345 9.586 ( 6.058 2.977 1.217) 6.858 9.673 ( -4.114 2.908 1.528) 5.265 9.839 ( -2.324 2.438 5.061) 6.079 9.850 ( 2.569 5.836 -6.296) 8.961 10.026 ( 5.961 1.393 1.761) 6.370 10.182 ( -5.904 -3.175 -5.601) 8.736 10.276 ( 5.409 -0.569 -1.180) 5.565 10.375 ( -6.562 -1.658 2.158) 7.104 11.098 ( 4.188 5.138 4.890) 8.237 11.214 ( -3.953 3.340 -3.541) 6.270 11.959 ( 9.675 15.144 3.394) 18.288 12.123 ( -5.180 9.003 -2.645) 10.718 12.520 ( 1.104 -4.737 0.765) 4.924 12.590 ( -4.288 -3.200 -3.134) 6.201 15.098 ( 9.160 6.896 7.094) 13.483 15.310 ( -5.373 4.640 -6.681) 9.748 15.733 ( 4.637 0.071 -0.139) 4.640 15.804 ( -5.398 2.960 0.625) 6.188 16.282 ( 13.741 11.510 3.383) 18.242 16.305 ( 3.790 -3.917 3.877) 6.688 16.365 ( 2.137 1.660 1.917) 3.316 16.567 ( -10.671 13.969 -4.306) 18.098 16.857 ( 2.524 3.584 7.497) 8.684 17.099 ( -10.731 -0.931 -14.014) 17.675 18.370 ( 24.203 -15.485 1.516) 28.772 18.768 ( -23.551 -15.923 1.406) 28.464 ======================= Grid point 333 (159/170) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -0.066 12.846 1.188) 12.901 1.593 ( 0.052 12.827 -1.126) 12.877 2.054 ( -2.221 6.319 -6.407) 9.269 2.054 ( 2.217 6.309 6.393) 9.252 2.414 ( -3.123 -10.018 2.152) 10.712 2.414 ( 3.119 -10.011 -2.151) 10.704 2.761 ( 0.654 1.190 1.177) 1.797 2.761 ( -0.660 1.193 -1.161) 1.791 3.029 ( -5.322 -0.471 3.519) 6.397 3.030 ( 5.325 -0.486 -3.525) 6.404 3.306 ( 1.951 -7.501 5.090) 9.273 3.306 ( -1.950 -7.500 -5.086) 9.269 4.042 ( -4.527 2.047 -1.018) 5.071 4.042 ( 4.525 2.048 1.015) 5.069 4.169 ( 0.073 3.980 -3.986) 5.633 4.169 ( -0.074 3.977 3.987) 5.632 4.432 ( 0.031 2.540 -1.050) 2.749 4.432 ( -0.033 2.543 1.056) 2.754 5.262 ( 0.396 -7.262 -1.475) 7.421 5.262 ( -0.396 -7.262 1.479) 7.422 5.994 ( -2.429 -4.439 -0.668) 5.104 5.994 ( 2.425 -4.437 0.671) 5.101 6.497 ( -2.488 -3.045 0.156) 3.935 6.497 ( 2.497 -3.046 -0.147) 3.942 7.313 ( -1.377 3.280 1.560) 3.884 7.313 ( 1.366 3.276 -1.557) 3.875 7.451 ( -3.100 -2.508 1.176) 4.158 7.451 ( 3.101 -2.509 -1.171) 4.158 7.617 ( -2.297 -5.832 -0.362) 6.278 7.617 ( 2.302 -5.834 0.368) 6.283 8.770 ( 3.689 3.681 1.004) 5.307 8.770 ( -3.692 3.671 -0.991) 5.300 8.916 ( -5.738 -1.387 -11.287) 12.738 8.916 ( 5.725 -1.386 11.287) 12.732 9.028 ( -1.825 -4.568 -5.155) 7.126 9.028 ( 1.824 -4.572 5.158) 7.131 9.801 ( -3.363 2.579 1.106) 4.380 9.801 ( 3.360 2.577 -1.100) 4.375 10.048 ( 2.234 1.351 -1.807) 3.175 10.048 ( -2.229 1.344 1.814) 3.172 10.638 ( -5.866 1.729 4.465) 7.572 10.638 ( 5.864 1.733 -4.463) 7.570 10.993 ( -7.232 -5.551 2.650) 9.494 10.994 ( 7.231 -5.571 -2.638) 9.501 12.041 ( 1.028 7.828 6.128) 9.994 12.041 ( -1.032 7.825 -6.126) 9.991 12.807 ( 0.596 1.121 1.714) 2.133 12.807 ( -0.600 1.114 -1.716) 2.132 14.582 ( 3.158 2.728 -9.561) 10.432 14.582 ( -3.163 2.714 9.558) 10.427 15.507 ( -4.539 1.960 -0.474) 4.967 15.507 ( 4.539 1.957 0.471) 4.965 15.754 ( -2.863 -8.786 0.863) 9.281 15.754 ( 2.859 -8.785 -0.862) 9.278 16.338 ( 3.561 -0.970 -4.927) 6.156 16.338 ( -3.565 -0.972 4.939) 6.168 17.574 ( -3.559 17.020 -4.364) 17.927 17.574 ( 3.557 17.010 4.366) 17.918 18.852 ( -1.525 -13.368 -12.335) 18.253 18.853 ( 1.521 -13.374 12.346) 18.265 ======================= Grid point 335 (160/170) ======================= q-point: ( 0.09 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 1.747 12.179 -5.244) 13.374 1.633 ( 1.637 9.759 -2.370) 10.175 1.971 ( -1.756 8.422 1.548) 8.741 2.186 ( 2.411 6.513 -1.352) 7.075 2.268 ( -4.032 -6.840 1.960) 8.178 2.544 ( 3.080 -10.807 6.129) 12.800 2.661 ( -6.552 1.398 0.461) 6.715 2.821 ( 0.917 -1.294 0.682) 1.727 2.971 ( -4.954 4.065 1.608) 6.607 3.073 ( 3.324 -3.170 -2.279) 5.127 3.161 ( -3.279 -6.814 -7.696) 10.790 3.412 ( -0.016 -9.272 4.546) 10.326 3.946 ( -5.187 4.983 0.288) 7.198 4.040 ( -4.371 4.454 -3.001) 6.925 4.126 ( 2.961 2.096 -7.139) 8.008 4.228 ( 1.263 -1.001 4.078) 4.385 4.401 ( -0.784 2.620 -2.605) 3.777 4.430 ( -0.501 0.778 -0.424) 1.018 5.231 ( -3.452 -5.659 0.784) 6.675 5.257 ( -3.766 -6.867 3.420) 8.546 5.964 ( -1.266 -2.061 -0.657) 2.507 6.067 ( 4.389 -4.891 1.411) 6.721 6.415 ( -3.914 -0.091 3.833) 5.479 6.587 ( 1.560 -7.663 3.050) 8.394 7.216 ( -4.184 1.677 0.813) 4.580 7.293 ( -5.359 -1.369 -2.606) 6.115 7.482 ( -1.369 -0.375 -1.017) 1.746 7.551 ( 13.660 2.157 0.326) 13.833 7.585 ( -0.953 -4.399 -0.248) 4.507 7.721 ( 9.317 -6.461 -0.526) 11.350 8.667 ( -2.049 0.996 -9.694) 9.958 8.685 ( -4.843 0.235 -3.622) 6.052 8.842 ( 2.559 3.635 -2.516) 5.108 8.945 ( -0.148 -3.300 -6.462) 7.258 9.147 ( 5.796 -1.490 8.986) 10.796 9.188 ( 7.384 -3.528 8.016) 11.455 9.722 ( -2.057 5.395 -2.308) 6.218 9.834 ( 0.443 1.188 -0.761) 1.479 10.021 ( 2.005 4.276 -0.710) 4.776 10.130 ( 3.105 -1.623 2.718) 4.434 10.583 ( -4.457 0.796 3.515) 5.732 10.728 ( 2.073 -2.316 2.227) 3.824 10.810 ( -7.478 0.884 -5.062) 9.073 11.093 ( 6.419 -7.297 -3.336) 10.275 11.980 ( 3.884 12.865 -6.108) 14.761 12.219 ( 5.439 3.754 10.572) 12.468 12.724 ( -6.098 1.091 -3.008) 6.886 12.792 ( -2.646 -0.290 -0.431) 2.696 14.589 ( 9.841 4.137 -7.600) 13.104 14.702 ( 4.041 0.329 8.787) 9.677 15.408 ( 0.656 7.468 -4.191) 8.589 15.639 ( 3.486 -1.690 3.409) 5.160 15.746 ( 3.407 -5.462 0.717) 6.477 15.850 ( 3.064 -10.921 4.660) 12.263 16.362 ( 1.556 -0.256 2.727) 3.150 16.406 ( 6.099 -1.992 3.252) 7.193 17.390 ( -6.773 17.166 -10.095) 21.035 17.654 ( -0.541 13.508 2.605) 13.767 18.602 ( -6.401 -6.717 -16.128) 18.606 19.007 ( -4.859 -17.435 15.643) 23.922 ======================= Grid point 336 (161/170) ======================= q-point: ( 0.18 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 3.802 11.210 -1.717) 11.961 1.620 ( 3.232 7.284 -4.466) 9.135 1.979 ( -2.088 4.252 0.789) 4.802 2.081 ( -5.347 4.168 0.633) 6.809 2.388 ( 5.204 0.425 7.241) 8.928 2.549 ( -8.089 0.272 0.608) 8.116 2.671 ( 2.486 -5.290 7.889) 9.818 2.810 ( -2.978 -5.805 0.904) 6.586 2.909 ( -2.126 7.070 -1.632) 7.561 3.029 ( -3.362 -6.647 -5.372) 9.184 3.089 ( 0.357 -2.168 -1.046) 2.434 3.384 ( -4.687 -10.319 -1.880) 11.488 3.877 ( -3.246 4.617 -2.295) 6.092 3.916 ( -5.669 4.437 -1.054) 7.276 4.085 ( 3.224 1.819 -8.344) 9.128 4.243 ( -3.138 -2.003 -0.182) 3.727 4.385 ( 2.077 -1.016 -1.649) 2.840 4.412 ( -1.100 -2.325 -0.495) 2.619 5.168 ( -5.166 -2.860 0.678) 5.944 5.210 ( -6.900 -5.065 3.979) 9.439 5.926 ( -2.115 1.084 -0.170) 2.383 6.148 ( 3.561 -5.557 0.987) 6.674 6.466 ( 2.532 -0.683 5.081) 5.718 6.630 ( 0.002 -7.686 3.676) 8.520 7.179 ( -2.386 0.254 1.488) 2.824 7.191 ( -2.964 0.045 -2.614) 3.952 7.415 ( -4.515 -0.361 -1.046) 4.649 7.546 ( -2.455 -3.857 -0.254) 4.579 7.788 ( 11.659 -0.611 -2.594) 11.960 7.853 ( 8.730 -4.080 -2.622) 9.987 8.548 ( 1.632 3.227 -5.544) 6.619 8.675 ( 4.677 0.347 -0.818) 4.761 8.815 ( -1.601 2.817 -7.189) 7.885 8.865 ( 1.622 -1.018 -4.538) 4.926 9.311 ( 4.580 -0.232 5.923) 7.491 9.401 ( 6.835 -3.586 6.986) 10.411 9.716 ( 3.018 6.630 -0.292) 7.291 9.860 ( 3.021 2.900 2.476) 4.866 10.058 ( 2.444 3.424 -1.250) 4.389 10.207 ( 2.519 -1.934 2.648) 4.135 10.511 ( -7.454 -0.572 -1.883) 7.710 10.605 ( -6.658 -5.059 -1.491) 8.494 10.841 ( 5.445 6.097 1.207) 8.263 11.161 ( 5.115 -7.364 -1.048) 9.027 12.000 ( 5.190 16.127 -4.763) 17.598 12.406 ( 4.114 2.030 6.901) 8.286 12.557 ( -8.345 0.553 -4.504) 9.499 12.739 ( -2.017 -2.945 -1.038) 3.718 14.715 ( 11.325 5.407 -2.588) 12.813 14.898 ( 9.549 -1.088 6.492) 11.598 15.444 ( 4.865 9.167 0.608) 10.396 15.726 ( 7.613 1.073 -0.930) 7.744 15.829 ( 1.196 -6.603 3.385) 7.516 15.946 ( 4.764 -8.126 2.700) 9.798 16.444 ( 3.792 2.146 3.498) 5.588 16.616 ( 11.294 -4.209 6.808) 13.843 17.145 ( -8.790 14.388 -9.159) 19.188 17.612 ( -3.104 4.541 -4.535) 7.129 18.299 ( -10.990 3.809 -11.824) 16.586 19.036 ( -10.751 -19.874 12.347) 25.749 ======================= Grid point 337 (162/170) ======================= q-point: ( 0.27 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -0.112 9.290 -0.338) 9.297 1.694 ( 9.982 8.688 0.781) 13.256 1.919 ( -5.948 0.025 1.354) 6.100 2.053 ( -2.453 2.417 6.394) 7.263 2.410 ( -7.739 -2.068 -1.348) 8.124 2.561 ( 4.976 3.112 6.939) 9.088 2.692 ( -5.505 -5.386 -0.981) 7.764 2.813 ( -0.149 1.248 1.312) 1.817 2.889 ( -0.548 -4.272 2.500) 4.980 2.934 ( -4.412 -1.321 1.486) 4.839 3.075 ( 1.761 2.247 -1.710) 3.328 3.277 ( -3.725 -7.389 -1.877) 8.485 3.775 ( -0.590 3.693 -8.149) 8.966 3.853 ( -1.983 0.265 -0.616) 2.094 4.047 ( 0.147 1.810 -5.010) 5.329 4.165 ( -1.737 -0.104 -4.340) 4.676 4.356 ( -3.541 -4.529 -1.637) 5.978 4.399 ( -0.545 -6.213 -1.189) 6.349 5.078 ( -5.576 -0.116 -0.706) 5.622 5.128 ( -7.578 -2.807 3.235) 8.704 5.913 ( -0.452 1.712 2.011) 2.680 6.198 ( 1.795 -8.375 -0.228) 8.568 6.564 ( 3.938 0.452 2.132) 4.501 6.685 ( 3.728 -3.331 0.627) 5.039 7.130 ( -3.058 0.557 0.050) 3.109 7.169 ( -2.502 1.739 3.146) 4.380 7.328 ( -4.178 -0.704 -0.628) 4.284 7.499 ( -3.302 -4.916 0.470) 5.941 7.814 ( 0.186 -1.683 -5.003) 5.282 7.940 ( 6.203 -6.880 -7.778) 12.096 8.599 ( 4.994 5.094 -2.607) 7.595 8.687 ( -0.428 3.222 -8.782) 9.364 8.756 ( 6.946 7.157 2.376) 10.253 8.981 ( 11.511 -2.889 4.619) 12.735 9.431 ( 3.443 0.786 3.842) 5.219 9.561 ( 3.966 -3.799 6.141) 8.239 9.788 ( 4.577 6.153 0.115) 7.669 9.984 ( 6.845 1.480 2.627) 7.480 10.057 ( -0.261 4.601 -0.949) 4.706 10.238 ( -1.918 -0.012 -1.824) 2.647 10.379 ( -3.908 -0.284 0.516) 3.952 10.489 ( -5.103 -4.438 -3.790) 7.753 10.960 ( 5.691 6.361 3.207) 9.118 11.231 ( 3.130 -5.695 0.924) 6.563 12.038 ( 4.909 15.734 -2.860) 16.728 12.381 ( -6.321 2.103 -3.684) 7.613 12.486 ( 0.119 -0.116 1.092) 1.105 12.709 ( -0.133 -4.389 -2.071) 4.855 14.887 ( 9.388 8.777 2.868) 13.168 15.160 ( 12.903 -1.460 6.108) 14.350 15.519 ( 1.506 3.485 2.557) 4.577 15.835 ( 0.385 -9.712 -2.524) 10.042 15.919 ( 15.131 6.669 1.111) 16.573 16.083 ( 6.649 -2.666 3.440) 7.947 16.534 ( 3.283 9.153 -1.024) 9.777 16.776 ( -0.676 6.761 -2.936) 7.402 17.029 ( 2.060 -1.623 6.172) 6.706 17.480 ( -0.190 -11.556 -10.513) 15.624 17.990 ( -14.195 16.632 -5.735) 22.605 18.930 ( -15.894 -21.150 8.127) 27.677 ======================= Grid point 338 (163/170) ======================= q-point: ( 0.36 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -2.491 4.125 -2.284) 5.332 1.777 ( -12.461 -2.252 1.578) 12.760 1.936 ( 13.620 10.289 5.518) 17.939 2.180 ( 3.032 1.983 10.781) 11.373 2.295 ( -2.909 -4.492 -0.592) 5.385 2.554 ( -7.487 -4.283 -3.024) 9.140 2.661 ( 0.828 -1.691 0.793) 2.043 2.778 ( -2.162 3.825 -0.465) 4.418 2.864 ( -1.545 -1.936 -0.010) 2.477 2.928 ( -1.510 -1.151 1.844) 2.647 3.190 ( 5.290 6.937 5.690) 10.416 3.244 ( -0.120 -2.897 5.000) 5.780 3.690 ( 1.428 2.900 -8.964) 9.529 3.819 ( 0.923 -2.047 -4.755) 5.259 3.958 ( -3.301 1.488 -4.615) 5.866 4.101 ( -0.084 1.053 -6.752) 6.834 4.255 ( -6.019 -8.925 -0.334) 10.770 4.345 ( -3.552 -8.816 -1.855) 9.684 4.987 ( -3.662 1.955 -1.007) 4.272 5.044 ( -5.912 -0.877 1.859) 6.259 5.958 ( 1.527 0.377 4.283) 4.562 6.197 ( -0.398 -9.315 -2.116) 9.560 6.646 ( 5.402 3.301 -0.605) 6.359 6.764 ( 6.132 -1.701 -1.411) 6.518 7.072 ( -5.469 4.994 1.445) 7.546 7.140 ( -3.707 3.663 0.700) 5.258 7.294 ( -1.311 -3.498 2.651) 4.581 7.446 ( -4.209 -5.668 0.935) 7.121 7.754 ( -1.482 -2.946 -1.796) 3.755 7.897 ( 2.129 -8.997 -10.334) 13.866 8.594 ( 2.212 5.238 -4.257) 7.103 8.627 ( 0.333 3.798 -2.572) 4.599 9.005 ( 13.399 9.472 6.550) 17.667 9.248 ( 11.713 -1.733 5.505) 13.057 9.518 ( 3.081 1.814 2.515) 4.371 9.670 ( 0.678 -3.837 5.853) 7.032 9.824 ( 0.048 3.653 -1.223) 3.852 10.008 ( 1.209 -0.208 -2.318) 2.623 10.115 ( -4.464 2.496 -7.607) 9.167 10.165 ( 6.863 5.983 4.088) 9.980 10.320 ( -7.647 -2.972 -1.513) 8.343 10.403 ( -0.149 -0.291 -0.365) 0.490 11.089 ( 4.798 5.797 4.111) 8.574 11.275 ( 0.861 -2.331 0.617) 2.560 12.111 ( 5.363 12.335 0.808) 13.474 12.294 ( -0.379 3.665 -1.156) 3.862 12.456 ( -2.139 -1.379 -2.407) 3.503 12.658 ( -2.482 -3.411 -4.088) 5.874 15.085 ( 7.959 11.356 6.568) 15.344 15.383 ( 4.987 -0.434 2.566) 5.625 15.600 ( 5.635 -0.255 4.115) 6.982 15.819 ( 0.578 -9.026 0.456) 9.056 16.183 ( 5.418 0.767 -1.444) 5.659 16.200 ( 12.577 3.581 -1.081) 13.122 16.481 ( 2.421 15.929 -8.366) 18.155 16.775 ( 0.472 6.216 4.768) 7.848 17.027 ( -7.918 -1.248 -1.626) 8.179 17.488 ( 4.548 -13.526 -5.570) 15.318 17.764 ( -2.881 12.946 1.729) 13.374 18.701 ( -19.584 -21.452 3.667) 29.277 ======================= Grid point 339 (164/170) ======================= q-point: ( 0.45 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 264 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( 2.975 -0.102 -2.667) 3.997 1.594 ( -10.666 -2.506 2.075) 11.152 2.210 ( 10.122 9.570 4.572) 14.661 2.245 ( 2.262 -4.607 0.896) 5.210 2.333 ( -3.327 -4.688 4.043) 7.028 2.413 ( -5.063 7.096 -2.619) 9.102 2.674 ( 3.122 -4.437 1.017) 5.520 2.751 ( -2.986 -1.557 0.238) 3.376 2.852 ( 0.973 -0.545 -0.201) 1.133 2.898 ( -1.954 -0.421 -2.444) 3.157 3.280 ( -0.039 8.081 11.384) 13.960 3.383 ( 3.385 8.160 -1.914) 9.039 3.627 ( 0.436 -0.641 1.541) 1.725 3.753 ( 0.630 -1.414 -11.710) 11.812 3.897 ( 0.832 -0.340 -0.312) 0.952 3.977 ( -4.948 -1.424 -4.835) 7.064 4.213 ( -0.241 -10.237 1.815) 10.399 4.263 ( -3.435 -10.090 -1.666) 10.788 4.950 ( 0.334 2.218 -0.538) 2.306 4.979 ( -3.624 0.843 0.753) 3.796 6.047 ( 2.360 -2.443 5.341) 6.329 6.140 ( -1.921 -6.349 -4.377) 7.947 6.737 ( 6.433 3.685 -0.570) 7.435 6.815 ( -0.929 -0.695 -0.391) 1.224 7.016 ( 1.692 7.776 -2.035) 8.214 7.075 ( -6.114 3.788 2.160) 7.510 7.324 ( 1.216 -4.402 2.410) 5.164 7.382 ( -3.612 -5.262 -0.568) 6.408 7.748 ( -1.058 -5.987 4.531) 7.582 7.810 ( 1.116 -8.494 -9.091) 12.491 8.602 ( 2.228 5.205 -1.607) 5.885 8.616 ( -0.497 4.467 0.035) 4.495 9.274 ( 10.139 8.344 5.116) 14.092 9.402 ( 0.267 3.845 0.187) 3.859 9.605 ( 5.949 -0.251 0.516) 5.977 9.684 ( -4.692 -1.407 3.017) 5.753 9.831 ( 0.514 -0.564 4.619) 4.682 9.945 ( -3.299 -0.250 -9.418) 9.982 10.046 ( 3.832 1.970 1.116) 4.451 10.162 ( -6.665 -0.128 -3.646) 7.598 10.304 ( 5.468 3.721 2.035) 6.920 10.384 ( -2.897 1.236 0.116) 3.152 11.200 ( 3.272 4.333 3.428) 6.421 11.266 ( -1.422 1.490 -1.357) 2.467 12.219 ( 4.241 7.745 3.760) 9.597 12.309 ( 0.019 9.187 -2.450) 9.508 12.413 ( 2.166 -4.989 0.912) 5.515 12.537 ( -5.655 -1.985 -4.774) 7.662 15.274 ( 5.446 8.456 6.470) 11.959 15.391 ( -2.396 2.223 -2.368) 4.036 15.734 ( 7.171 0.887 0.251) 7.230 15.843 ( -3.818 1.433 1.317) 4.286 16.189 ( 1.407 -4.885 6.000) 7.864 16.302 ( 3.387 -3.895 -8.849) 10.245 16.561 ( 10.188 7.707 -1.612) 12.876 16.720 ( -7.764 0.216 -4.003) 8.738 17.023 ( 5.710 13.639 8.900) 17.258 17.285 ( -12.778 17.038 -7.181) 22.475 18.012 ( 19.673 -16.933 3.665) 26.214 18.379 ( -21.245 -20.642 -0.465) 29.625 ======================= Grid point 345 (165/170) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( -0.003 -0.023 0.032) 0.039 1.772 ( -0.003 0.024 0.032) 0.040 2.105 ( -0.013 -0.020 -0.006) 0.025 2.105 ( -0.013 0.019 -0.007) 0.024 2.288 ( 0.006 -0.022 -0.000) 0.023 2.288 ( 0.006 0.022 -0.000) 0.023 2.762 ( -0.005 -0.012 0.001) 0.013 2.762 ( -0.005 0.012 0.001) 0.013 3.046 ( 0.003 -0.009 0.004) 0.010 3.046 ( 0.003 0.009 0.004) 0.010 3.201 ( -0.000 -0.009 -0.001) 0.010 3.201 ( -0.000 0.010 -0.001) 0.010 4.068 ( 0.000 -0.001 -0.000) 0.001 4.068 ( 0.000 0.001 -0.000) 0.001 4.220 ( -0.002 -0.002 -0.001) 0.003 4.220 ( -0.002 0.002 -0.001) 0.003 4.467 ( -0.001 -0.002 0.002) 0.003 4.467 ( -0.001 0.003 0.002) 0.004 5.175 ( 0.000 -0.000 0.003) 0.003 5.175 ( 0.000 0.001 0.003) 0.003 5.941 ( -0.002 -0.001 0.002) 0.002 5.941 ( -0.001 0.001 0.002) 0.003 6.464 ( 0.005 -0.002 0.006) 0.008 6.464 ( 0.005 0.003 0.006) 0.008 7.359 ( -0.029 -0.006 0.003) 0.029 7.359 ( -0.032 0.007 0.003) 0.033 7.413 ( 0.028 -0.009 0.002) 0.030 7.413 ( 0.024 0.009 0.001) 0.026 7.551 ( 0.001 -0.005 0.002) 0.006 7.551 ( 0.001 0.005 0.002) 0.006 8.866 ( 2.767 -1.742 0.992) 3.417 8.866 ( 2.788 1.718 0.843) 3.382 8.866 ( -2.738 -1.708 -0.976) 3.372 8.866 ( -2.825 1.732 -0.849) 3.420 8.958 ( -0.003 -0.004 0.003) 0.006 8.959 ( -0.003 0.004 0.003) 0.006 9.829 ( -0.002 -0.005 0.005) 0.007 9.829 ( -0.001 0.005 0.005) 0.007 10.058 ( 0.003 -0.003 0.002) 0.005 10.058 ( 0.003 0.003 0.002) 0.005 10.673 ( -0.016 -0.011 0.003) 0.019 10.673 ( -0.016 0.011 0.002) 0.020 10.922 ( 0.013 -0.022 0.004) 0.026 10.922 ( 0.015 0.023 0.005) 0.028 12.131 ( -0.001 -0.004 0.002) 0.004 12.131 ( -0.001 0.003 0.002) 0.004 12.817 ( -0.002 -0.006 -0.002) 0.007 12.817 ( -0.003 0.006 -0.002) 0.007 14.615 ( -0.002 -0.007 -0.003) 0.008 14.615 ( -0.002 0.007 -0.003) 0.008 15.576 ( -0.013 -0.029 0.030) 0.043 15.576 ( -0.013 0.029 0.030) 0.044 15.607 ( 0.011 -0.029 -0.031) 0.044 15.607 ( 0.010 0.029 -0.030) 0.043 16.328 ( -0.002 -0.002 0.006) 0.007 16.328 ( -0.002 0.002 0.006) 0.007 17.785 ( 0.000 -0.012 -0.002) 0.012 17.785 ( 0.000 0.012 -0.002) 0.012 18.680 ( -0.003 -0.009 0.009) 0.013 18.680 ( -0.003 0.009 0.009) 0.013 ======================= Grid point 349 (166/170) ======================= q-point: ( 0.09 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -0.492 -3.248 -4.089) 5.245 1.733 ( -0.493 3.248 -4.089) 5.245 2.110 ( -2.429 -6.186 1.589) 6.833 2.110 ( -2.429 6.186 1.590) 6.833 2.331 ( 3.799 -8.139 3.489) 9.636 2.331 ( 3.799 8.139 3.489) 9.636 2.742 ( -4.315 -4.749 2.704) 6.963 2.742 ( -4.315 4.749 2.704) 6.963 3.007 ( -0.341 -2.428 -4.257) 4.912 3.007 ( -0.341 2.429 -4.256) 4.912 3.212 ( -1.021 -9.066 0.897) 9.167 3.212 ( -1.021 9.066 0.896) 9.167 4.049 ( -2.070 -3.276 -1.438) 4.133 4.049 ( -2.070 3.276 -1.439) 4.133 4.194 ( -0.675 -2.955 -2.226) 3.760 4.194 ( -0.675 2.955 -2.226) 3.760 4.435 ( -2.114 -0.611 -2.001) 2.974 4.435 ( -2.114 0.611 -2.001) 2.974 5.170 ( -2.566 -0.630 2.630) 3.728 5.170 ( -2.566 0.631 2.631) 3.728 5.972 ( 2.731 -3.042 0.398) 4.107 5.972 ( 2.730 3.042 0.398) 4.107 6.461 ( -2.076 -4.231 3.684) 5.982 6.461 ( -2.076 4.232 3.684) 5.983 7.252 ( -5.147 -2.023 -0.788) 5.586 7.252 ( -5.147 2.023 -0.788) 5.586 7.506 ( -0.478 -2.679 -0.512) 2.769 7.506 ( -0.479 2.679 -0.512) 2.769 7.616 ( 12.094 -3.793 -0.583) 12.688 7.616 ( 12.094 3.793 -0.583) 12.688 8.689 ( -3.725 -0.653 -7.521) 8.418 8.689 ( -3.725 0.653 -7.521) 8.418 8.896 ( 1.039 -1.690 -3.258) 3.815 8.896 ( 1.039 1.689 -3.257) 3.814 9.135 ( 7.800 -0.867 8.246) 11.384 9.135 ( 7.800 0.868 8.246) 11.384 9.812 ( -0.074 -2.979 -1.324) 3.261 9.812 ( -0.074 2.979 -1.324) 3.261 10.090 ( 2.451 -2.330 1.238) 3.601 10.090 ( 2.450 2.330 1.238) 3.601 10.634 ( -6.431 -4.000 2.233) 7.896 10.634 ( -6.431 4.002 2.232) 7.896 10.932 ( 4.718 -7.601 -3.923) 9.769 10.932 ( 4.717 7.601 -3.923) 9.768 12.193 ( 5.267 -6.385 1.639) 8.438 12.193 ( 5.267 6.385 1.639) 8.438 12.761 ( -5.249 -2.221 -1.355) 5.859 12.761 ( -5.249 2.221 -1.355) 5.859 14.672 ( 6.488 -3.148 0.492) 7.228 14.672 ( 6.488 3.148 0.492) 7.228 15.592 ( 6.235 -8.124 -4.431) 11.158 15.592 ( 6.234 8.125 -4.429) 11.158 15.668 ( 1.212 -0.568 6.505) 6.641 15.668 ( 1.213 0.568 6.504) 6.640 16.372 ( 2.816 -1.138 4.070) 5.078 16.372 ( 2.816 1.138 4.070) 5.078 17.694 ( -4.153 -9.410 -9.490) 13.995 17.694 ( -4.153 9.410 -9.490) 13.995 18.667 ( -5.323 -12.709 5.040) 14.671 18.667 ( -5.323 12.709 5.040) 14.671 ======================= Grid point 351 (167/170) ======================= q-point: ( 0.18 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 1.858 -1.610 -0.501) 2.509 1.711 ( 1.858 1.610 -0.501) 2.510 2.049 ( -4.573 -4.513 -1.293) 6.553 2.049 ( -4.572 4.513 -1.293) 6.553 2.468 ( 2.996 -7.067 7.866) 10.990 2.468 ( 2.995 7.066 7.866) 10.990 2.683 ( -4.621 -5.337 1.309) 7.180 2.683 ( -4.622 5.337 1.309) 7.181 2.965 ( -1.593 -1.084 -0.979) 2.161 2.965 ( -1.593 1.085 -0.979) 2.162 3.168 ( -1.812 -9.301 -3.123) 9.977 3.168 ( -1.811 9.300 -3.123) 9.977 3.958 ( -3.667 -1.568 -5.088) 6.464 3.958 ( -3.667 1.568 -5.088) 6.465 4.169 ( -1.223 -5.200 -0.095) 5.343 4.169 ( -1.223 5.200 -0.095) 5.343 4.371 ( -1.566 -0.771 -3.543) 3.950 4.371 ( -1.567 0.771 -3.544) 3.950 5.143 ( -4.602 -0.963 2.849) 5.498 5.143 ( -4.603 0.963 2.849) 5.498 6.008 ( 1.034 -6.359 -0.179) 6.445 6.008 ( 1.033 6.360 -0.179) 6.446 6.507 ( 1.591 -4.165 5.582) 7.144 6.507 ( 1.592 4.166 5.582) 7.145 7.184 ( -2.365 -0.568 -0.713) 2.535 7.184 ( -2.365 0.567 -0.714) 2.535 7.459 ( -3.276 -3.819 -0.721) 5.083 7.459 ( -3.276 3.819 -0.721) 5.083 7.795 ( 10.016 -1.472 -3.881) 10.842 7.795 ( 10.017 1.472 -3.881) 10.843 8.632 ( 5.009 -4.002 -3.461) 7.286 8.632 ( 5.009 4.003 -3.461) 7.286 8.853 ( -0.583 -1.445 -4.093) 4.379 8.853 ( -0.583 1.444 -4.093) 4.380 9.333 ( 6.379 -2.384 5.756) 8.917 9.333 ( 6.380 2.385 5.756) 8.917 9.834 ( 3.810 -4.248 0.250) 5.712 9.834 ( 3.809 4.248 0.251) 5.711 10.145 ( 1.542 -4.006 2.017) 4.743 10.145 ( 1.542 4.007 2.017) 4.743 10.526 ( -6.473 -2.106 -1.170) 6.907 10.526 ( -6.473 2.106 -1.171) 6.907 10.997 ( 5.876 -7.984 -0.550) 9.928 10.997 ( 5.877 7.984 -0.550) 9.929 12.289 ( 4.528 -10.752 -1.255) 11.734 12.289 ( 4.528 10.752 -1.256) 11.734 12.648 ( -5.555 -5.456 -0.945) 7.843 12.648 ( -5.555 5.456 -0.946) 7.843 14.832 ( 10.219 -4.998 3.154) 11.805 14.832 ( 10.219 4.998 3.154) 11.805 15.646 ( 3.464 -9.479 -2.892) 10.498 15.646 ( 3.464 9.479 -2.891) 10.498 15.800 ( 8.880 -5.036 3.710) 10.862 15.800 ( 8.880 5.036 3.711) 10.862 16.516 ( 6.312 -4.556 7.938) 11.118 16.516 ( 6.312 4.556 7.938) 11.118 17.461 ( -7.245 -14.118 -14.305) 21.365 17.461 ( -7.245 14.118 -14.305) 21.365 18.603 ( -10.490 -20.357 6.156) 23.713 18.603 ( -10.490 20.357 6.156) 23.713 ======================= Grid point 353 (168/170) ======================= q-point: ( 0.27 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -0.399 -5.546 3.267) 6.449 1.769 ( -0.399 5.547 3.267) 6.450 1.965 ( -1.905 -7.612 1.229) 7.943 1.965 ( -1.906 7.612 1.229) 7.943 2.488 ( -5.596 -8.329 -0.272) 10.038 2.489 ( -5.597 8.329 -0.272) 10.038 2.708 ( 1.691 -6.642 5.743) 8.941 2.708 ( 1.691 6.641 5.742) 8.941 2.909 ( -3.032 -2.353 -1.312) 4.056 2.909 ( -3.033 2.354 -1.311) 4.057 3.144 ( 1.754 -4.902 0.663) 5.249 3.144 ( 1.754 4.902 0.663) 5.248 3.845 ( -1.349 -2.057 -6.922) 7.346 3.845 ( -1.350 2.056 -6.922) 7.346 4.133 ( -3.789 -4.511 0.876) 5.956 4.133 ( -3.789 4.511 0.876) 5.956 4.297 ( -1.688 -1.302 -5.923) 6.295 4.297 ( -1.687 1.302 -5.922) 6.294 5.085 ( -5.314 -1.089 1.788) 5.712 5.085 ( -5.314 1.090 1.788) 5.711 6.014 ( 0.055 -7.674 0.502) 7.690 6.014 ( 0.055 7.675 0.503) 7.691 6.614 ( 5.101 -3.379 2.405) 6.575 6.614 ( 5.102 3.379 2.405) 6.575 7.155 ( -2.170 -1.651 2.150) 3.472 7.155 ( -2.170 1.651 2.149) 3.472 7.393 ( -3.553 -4.997 -0.877) 6.194 7.393 ( -3.553 4.997 -0.877) 6.194 7.830 ( 2.882 -3.211 -7.672) 8.802 7.830 ( 2.882 3.211 -7.672) 8.802 8.685 ( 3.393 -2.762 -6.297) 7.667 8.685 ( 3.394 2.762 -6.297) 7.668 8.897 ( 9.539 -5.491 4.723) 11.977 8.897 ( 9.539 5.491 4.723) 11.978 9.474 ( 4.067 -3.500 4.611) 7.075 9.474 ( 4.067 3.501 4.611) 7.075 9.914 ( 4.507 -5.399 -0.688) 7.066 9.914 ( 4.507 5.398 -0.687) 7.066 10.179 ( -0.652 -4.856 3.102) 5.799 10.179 ( -0.652 4.856 3.102) 5.799 10.416 ( -3.502 -2.928 -3.188) 5.568 10.416 ( -3.503 2.929 -3.188) 5.569 11.100 ( 5.208 -6.686 2.021) 8.713 11.100 ( 5.209 6.686 2.022) 8.714 12.293 ( 0.054 -8.462 -3.065) 9.000 12.293 ( 0.054 8.462 -3.065) 9.000 12.585 ( -1.238 -6.805 -1.228) 7.025 12.585 ( -1.239 6.806 -1.228) 7.026 15.067 ( 10.821 -7.275 6.969) 14.785 15.067 ( 10.821 7.275 6.969) 14.785 15.640 ( 0.166 -8.032 -2.206) 8.331 15.640 ( 0.166 8.032 -2.206) 8.331 16.022 ( 13.935 -3.429 0.226) 14.352 16.022 ( 13.935 3.429 0.226) 14.352 16.739 ( 8.876 -9.075 7.834) 14.917 16.739 ( 8.876 9.075 7.834) 14.917 17.168 ( -8.168 -14.274 -13.139) 21.050 17.168 ( -8.168 14.274 -13.139) 21.050 18.453 ( -14.806 -23.760 4.292) 28.323 18.453 ( -14.806 23.760 4.292) 28.323 ======================= Grid point 355 (169/170) ======================= q-point: ( 0.36 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -9.568 -7.174 -0.317) 11.963 1.670 ( -9.568 7.174 -0.316) 11.963 2.107 ( 7.573 -6.842 8.443) 13.246 2.107 ( 7.571 6.842 8.443) 13.245 2.379 ( -3.857 -10.054 -1.947) 10.943 2.379 ( -3.857 10.054 -1.947) 10.944 2.729 ( -3.489 -6.147 0.680) 7.101 2.729 ( -3.489 6.148 0.680) 7.101 2.888 ( 1.298 -3.834 -1.597) 4.351 2.888 ( 1.298 3.833 -1.597) 4.351 3.245 ( 3.888 -1.036 9.068) 9.921 3.245 ( 3.888 1.036 9.068) 9.921 3.764 ( 1.405 -3.542 -8.235) 9.074 3.764 ( 1.404 3.542 -8.234) 9.072 4.061 ( -5.892 -7.890 -0.674) 9.870 4.061 ( -5.893 7.890 -0.675) 9.871 4.179 ( -2.987 -5.720 -6.385) 9.078 4.179 ( -2.987 5.720 -6.384) 9.078 5.020 ( -3.977 -1.340 0.873) 4.286 5.020 ( -3.976 1.341 0.873) 4.286 6.028 ( 0.366 -6.135 1.248) 6.271 6.028 ( 0.367 6.136 1.249) 6.273 6.715 ( 6.375 -2.961 -1.300) 7.148 6.715 ( 6.375 2.962 -1.299) 7.148 7.151 ( -3.934 -3.015 5.312) 7.265 7.151 ( -3.934 3.015 5.312) 7.265 7.327 ( -2.536 -5.552 -1.623) 6.316 7.327 ( -2.536 5.552 -1.623) 6.316 7.760 ( 0.170 -3.639 -7.470) 8.310 7.760 ( 0.170 3.639 -7.469) 8.310 8.659 ( 1.642 -0.829 -3.524) 3.976 8.659 ( 1.642 0.829 -3.524) 3.976 9.170 ( 13.285 -5.854 6.049) 15.728 9.170 ( 13.285 5.854 6.049) 15.727 9.575 ( 2.234 -3.979 3.989) 6.061 9.575 ( 2.234 3.980 3.989) 6.061 9.926 ( -0.788 -5.357 -2.434) 5.936 9.926 ( -0.788 5.356 -2.433) 5.935 10.183 ( -1.839 -3.286 -0.392) 3.786 10.183 ( -1.840 3.286 -0.390) 3.786 10.361 ( 0.116 -3.890 -0.778) 3.969 10.361 ( 0.117 3.891 -0.778) 3.970 11.202 ( 3.619 -4.604 2.666) 6.434 11.202 ( 3.620 4.604 2.667) 6.435 12.275 ( 0.948 -4.584 -0.218) 4.686 12.275 ( 0.948 4.584 -0.217) 4.686 12.544 ( -1.061 -7.095 -3.602) 8.028 12.544 ( -1.061 7.096 -3.602) 8.028 15.304 ( 6.031 -7.832 7.529) 12.426 15.304 ( 6.031 7.833 7.529) 12.426 15.647 ( 3.882 -5.632 0.626) 6.869 15.647 ( 3.882 5.632 0.626) 6.869 16.209 ( 9.239 -1.331 -3.846) 10.096 16.209 ( 9.240 1.331 -3.846) 10.096 16.795 ( -3.787 -9.516 -10.355) 14.564 16.795 ( -3.787 9.516 -10.355) 14.565 17.107 ( 9.119 -15.577 7.656) 19.606 17.107 ( 9.119 15.576 7.656) 19.606 18.218 ( -17.079 -24.033 1.187) 29.508 18.218 ( -17.079 24.033 1.187) 29.508 ======================= Grid point 357 (170/170) ======================= q-point: ( 0.45 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.45e-05 7.45e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -4.411 -2.652 -0.264) 5.153 1.540 ( -4.410 2.652 -0.263) 5.153 2.208 ( -1.418 -1.938 0.843) 2.545 2.208 ( -1.418 1.938 0.843) 2.545 2.442 ( 7.339 -7.713 5.256) 11.873 2.442 ( 7.339 7.713 5.256) 11.873 2.653 ( -4.582 -5.539 -2.013) 7.465 2.653 ( -4.582 5.539 -2.013) 7.465 2.869 ( -0.237 -1.757 -2.186) 2.815 2.869 ( -0.237 1.757 -2.186) 2.815 3.451 ( 4.270 -5.567 13.701) 15.393 3.451 ( 4.270 5.567 13.701) 15.393 3.674 ( 0.250 -6.124 -12.562) 13.977 3.674 ( 0.250 6.123 -12.560) 13.975 3.929 ( -5.157 -3.398 -1.862) 6.451 3.929 ( -5.159 3.398 -1.863) 6.452 4.108 ( -0.842 -2.558 -1.203) 2.949 4.108 ( -0.842 2.559 -1.203) 2.950 4.981 ( -1.416 -0.680 0.257) 1.592 4.981 ( -1.416 0.680 0.257) 1.592 6.046 ( 0.266 -2.346 0.728) 2.470 6.047 ( 0.266 2.347 0.729) 2.472 6.789 ( 3.781 -1.631 -1.288) 4.315 6.789 ( 3.781 1.631 -1.288) 4.315 7.133 ( -3.512 -1.734 3.170) 5.039 7.133 ( -3.511 1.734 3.171) 5.039 7.285 ( -0.478 -2.666 -1.210) 2.967 7.285 ( -0.478 2.666 -1.209) 2.966 7.699 ( -0.013 -1.586 -2.985) 3.380 7.699 ( -0.013 1.586 -2.984) 3.379 8.661 ( 0.936 -0.329 -0.761) 1.250 8.661 ( 0.936 0.329 -0.761) 1.251 9.407 ( 7.366 -3.589 3.059) 8.746 9.407 ( 7.365 3.588 3.059) 8.745 9.627 ( 0.190 -2.730 1.383) 3.067 9.627 ( 0.189 2.732 1.383) 3.067 9.871 ( -2.466 -3.963 -0.444) 4.689 9.871 ( -2.466 3.962 -0.443) 4.688 10.125 ( -1.204 -3.381 -2.793) 4.548 10.125 ( -1.205 3.381 -2.793) 4.548 10.379 ( 0.658 -2.196 0.798) 2.427 10.379 ( 0.658 2.196 0.799) 2.428 11.266 ( 1.276 -1.236 1.242) 2.167 11.266 ( 1.277 1.236 1.242) 2.168 12.320 ( 2.222 -3.747 1.959) 4.776 12.320 ( 2.222 3.746 1.959) 4.776 12.473 ( -1.946 -5.171 -3.404) 6.490 12.473 ( -1.946 5.172 -3.405) 6.490 15.392 ( 0.100 -2.367 1.635) 2.878 15.392 ( 0.101 2.367 1.635) 2.878 15.803 ( 6.870 -4.979 6.243) 10.534 15.803 ( 6.871 4.980 6.243) 10.534 16.192 ( -1.584 -4.989 -7.684) 9.297 16.193 ( -1.584 4.989 -7.683) 9.297 16.665 ( -0.891 -3.709 -3.017) 4.864 16.665 ( -0.891 3.709 -3.017) 4.864 17.378 ( 10.577 -14.579 4.992) 18.691 17.378 ( 10.577 14.580 4.992) 18.691 17.953 ( -12.521 -16.556 -1.196) 20.792 17.953 ( -12.521 16.556 -1.196) 20.792 =================== 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 3/31680 10.0 227.330 240.615 182.209 0.000 -23.619 0.000 3/31680 20.0 44.098 42.950 33.731 0.000 -5.052 0.000 3/31680 30.0 20.630 19.999 15.679 0.000 -2.117 0.000 3/31680 40.0 12.691 12.372 9.819 0.000 -1.149 0.000 3/31680 50.0 8.909 8.740 7.035 0.000 -0.725 0.000 3/31680 60.0 6.764 6.670 5.435 0.000 -0.506 0.000 3/31680 70.0 5.412 5.355 4.407 0.000 -0.377 0.000 3/31680 80.0 4.496 4.459 3.699 0.000 -0.295 0.000 3/31680 90.0 3.841 3.815 3.186 0.000 -0.239 0.000 3/31680 100.0 3.354 3.335 2.800 0.000 -0.198 0.000 3/31680 110.0 2.979 2.965 2.500 0.000 -0.167 0.000 3/31680 120.0 2.683 2.673 2.262 0.000 -0.144 0.000 3/31680 130.0 2.444 2.436 2.068 0.000 -0.125 0.000 3/31680 140.0 2.246 2.241 1.907 0.000 -0.110 0.000 3/31680 150.0 2.081 2.079 1.773 0.000 -0.098 0.000 3/31680 160.0 1.941 1.940 1.658 0.000 -0.088 0.000 3/31680 170.0 1.820 1.821 1.558 0.000 -0.080 0.000 3/31680 180.0 1.715 1.718 1.472 0.000 -0.073 0.000 3/31680 190.0 1.623 1.627 1.395 0.000 -0.067 0.000 3/31680 200.0 1.541 1.546 1.327 0.000 -0.062 0.000 3/31680 210.0 1.468 1.474 1.266 0.000 -0.058 0.000 3/31680 220.0 1.402 1.409 1.211 0.000 -0.054 0.000 3/31680 230.0 1.342 1.351 1.162 0.000 -0.050 0.000 3/31680 240.0 1.287 1.297 1.116 0.000 -0.047 0.000 3/31680 250.0 1.237 1.248 1.074 0.000 -0.045 0.000 3/31680 260.0 1.191 1.202 1.035 0.000 -0.042 0.000 3/31680 270.0 1.149 1.161 1.000 0.000 -0.040 0.000 3/31680 280.0 1.110 1.122 0.967 0.000 -0.038 0.000 3/31680 290.0 1.073 1.086 0.936 0.000 -0.036 0.000 3/31680 300.0 1.039 1.052 0.907 0.000 -0.035 0.000 3/31680 310.0 1.007 1.020 0.879 0.000 -0.033 0.000 3/31680 320.0 0.977 0.990 0.854 0.000 -0.032 0.000 3/31680 330.0 0.948 0.962 0.830 0.000 -0.031 0.000 3/31680 340.0 0.922 0.936 0.807 0.000 -0.029 0.000 3/31680 350.0 0.897 0.911 0.786 0.000 -0.028 0.000 3/31680 360.0 0.873 0.887 0.765 0.000 -0.027 0.000 3/31680 370.0 0.850 0.865 0.746 0.000 -0.026 0.000 3/31680 380.0 0.829 0.843 0.728 0.000 -0.026 0.000 3/31680 390.0 0.809 0.823 0.710 0.000 -0.025 0.000 3/31680 400.0 0.789 0.804 0.694 0.000 -0.024 0.000 3/31680 410.0 0.771 0.785 0.678 0.000 -0.023 0.000 3/31680 420.0 0.753 0.768 0.663 0.000 -0.023 0.000 3/31680 430.0 0.737 0.751 0.648 0.000 -0.022 0.000 3/31680 440.0 0.721 0.735 0.634 0.000 -0.021 0.000 3/31680 450.0 0.705 0.719 0.621 0.000 -0.021 0.000 3/31680 460.0 0.690 0.704 0.608 0.000 -0.020 0.000 3/31680 470.0 0.676 0.690 0.596 0.000 -0.020 0.000 3/31680 480.0 0.663 0.677 0.584 0.000 -0.019 0.000 3/31680 490.0 0.650 0.663 0.573 0.000 -0.019 0.000 3/31680 500.0 0.637 0.651 0.562 0.000 -0.018 0.000 3/31680 510.0 0.625 0.639 0.551 0.000 -0.018 0.000 3/31680 520.0 0.613 0.627 0.541 0.000 -0.018 0.000 3/31680 530.0 0.602 0.616 0.532 0.000 -0.017 0.000 3/31680 540.0 0.591 0.605 0.522 0.000 -0.017 0.000 3/31680 550.0 0.581 0.594 0.513 0.000 -0.016 0.000 3/31680 560.0 0.571 0.584 0.504 0.000 -0.016 0.000 3/31680 570.0 0.561 0.574 0.496 0.000 -0.016 0.000 3/31680 580.0 0.552 0.565 0.488 0.000 -0.016 0.000 3/31680 590.0 0.543 0.555 0.480 0.000 -0.015 0.000 3/31680 600.0 0.534 0.546 0.472 0.000 -0.015 0.000 3/31680 610.0 0.525 0.538 0.465 0.000 -0.015 0.000 3/31680 620.0 0.517 0.529 0.457 0.000 -0.014 0.000 3/31680 630.0 0.509 0.521 0.450 0.000 -0.014 0.000 3/31680 640.0 0.501 0.514 0.444 0.000 -0.014 0.000 3/31680 650.0 0.494 0.506 0.437 0.000 -0.014 0.000 3/31680 660.0 0.487 0.498 0.431 0.000 -0.013 0.000 3/31680 670.0 0.480 0.491 0.424 0.000 -0.013 0.000 3/31680 680.0 0.473 0.484 0.418 0.000 -0.013 0.000 3/31680 690.0 0.466 0.477 0.412 0.000 -0.013 0.000 3/31680 700.0 0.459 0.471 0.407 0.000 -0.013 0.000 3/31680 710.0 0.453 0.464 0.401 0.000 -0.012 0.000 3/31680 720.0 0.447 0.458 0.396 0.000 -0.012 0.000 3/31680 730.0 0.441 0.452 0.390 0.000 -0.012 0.000 3/31680 740.0 0.435 0.446 0.385 0.000 -0.012 0.000 3/31680 750.0 0.429 0.440 0.380 0.000 -0.012 0.000 3/31680 760.0 0.424 0.435 0.375 0.000 -0.012 0.000 3/31680 770.0 0.418 0.429 0.371 0.000 -0.011 0.000 3/31680 780.0 0.413 0.424 0.366 0.000 -0.011 0.000 3/31680 790.0 0.408 0.418 0.362 0.000 -0.011 0.000 3/31680 800.0 0.403 0.413 0.357 0.000 -0.011 0.000 3/31680 810.0 0.398 0.408 0.353 0.000 -0.011 0.000 3/31680 820.0 0.393 0.404 0.349 0.000 -0.011 0.000 3/31680 830.0 0.389 0.399 0.344 0.000 -0.011 0.000 3/31680 840.0 0.384 0.394 0.340 0.000 -0.010 0.000 3/31680 850.0 0.380 0.390 0.337 0.000 -0.010 0.000 3/31680 860.0 0.375 0.385 0.333 0.000 -0.010 0.000 3/31680 870.0 0.371 0.381 0.329 0.000 -0.010 0.000 3/31680 880.0 0.367 0.377 0.325 0.000 -0.010 0.000 3/31680 890.0 0.363 0.372 0.322 0.000 -0.010 0.000 3/31680 900.0 0.359 0.368 0.318 0.000 -0.010 0.000 3/31680 910.0 0.355 0.364 0.315 0.000 -0.010 0.000 3/31680 920.0 0.351 0.361 0.311 0.000 -0.009 0.000 3/31680 930.0 0.348 0.357 0.308 0.000 -0.009 0.000 3/31680 940.0 0.344 0.353 0.305 0.000 -0.009 0.000 3/31680 950.0 0.340 0.349 0.302 0.000 -0.009 0.000 3/31680 960.0 0.337 0.346 0.299 0.000 -0.009 0.000 3/31680 970.0 0.333 0.342 0.296 0.000 -0.009 0.000 3/31680 980.0 0.330 0.339 0.293 0.000 -0.009 0.000 3/31680 990.0 0.327 0.335 0.290 0.000 -0.009 0.000 3/31680 1000.0 0.323 0.332 0.287 0.000 -0.009 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1186.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:09:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|