----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:01:04]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.475580880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.538711250000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.288853319999999 Atomic positions (fractional): *1 O 0.06961096644359 0.75000000000000 0.92374334257399 15.999 2 O 0.93038903355641 0.25000000000000 0.07625665742601 15.999 3 O 0.56961096644359 0.75000000000000 0.57625665742601 15.999 4 O 0.43038903355641 0.25000000000000 0.42374334257399 15.999 *5 O 0.98453371912286 0.75000000000000 0.28238679647670 15.999 6 O 0.01546628087714 0.25000000000000 0.71761320352330 15.999 7 O 0.48453371912285 0.75000000000000 0.21761320352330 15.999 8 O 0.51546628087714 0.25000000000000 0.78238679647670 15.999 *9 O 0.37928778542887 0.75000000000000 0.98240854932205 15.999 10 O 0.62071221457113 0.25000000000000 0.01759145067795 15.999 11 O 0.87928778542887 0.75000000000000 0.51759145067795 15.999 12 O 0.12071221457113 0.25000000000000 0.48240854932205 15.999 *13 O 0.21166283911516 0.25000000000000 0.16735352704959 15.999 14 O 0.78833716088484 0.75000000000000 0.83264647295040 15.999 15 O 0.71166283911516 0.25000000000000 0.33264647295041 15.999 16 O 0.28833716088484 0.75000000000000 0.66735352704960 15.999 *17 Ba 0.75116941546186 0.25000000000000 0.64848738785043 137.327 18 Ba 0.24883058453814 0.75000000000000 0.35151261214957 137.327 19 Ba 0.25116941546186 0.25000000000000 0.85151261214957 137.327 20 Ba 0.74883058453814 0.75000000000000 0.14848738785043 137.327 *21 Sm 0.07891194836017 0.75000000000000 0.11073472256999 150.360 22 Sm 0.92108805163983 0.25000000000000 0.88926527743001 150.360 23 Sm 0.57891194836017 0.75000000000000 0.38926527743001 150.360 24 Sm 0.42108805163983 0.25000000000000 0.61073472256999 150.360 *25 Sm 0.42415240975259 0.25000000000000 0.11138899462971 150.360 26 Sm 0.57584759024741 0.75000000000000 0.88861100537029 150.360 27 Sm 0.92415240975259 0.25000000000000 0.38861100537029 150.360 28 Sm 0.07584759024741 0.75000000000000 0.61138899462971 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.475580880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.538711250000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.288853319999999 Atomic positions (fractional): *1 O 0.06961096644359 0.75000000000000 0.92374334257399 15.999 > 1 2 O 0.93038903355641 0.25000000000000 0.07625665742601 15.999 > 2 3 O 0.56961096644359 0.75000000000000 0.57625665742601 15.999 > 3 4 O 0.43038903355641 0.25000000000000 0.42374334257399 15.999 > 4 *5 O 0.98453371912286 0.75000000000000 0.28238679647670 15.999 > 5 6 O 0.01546628087714 0.25000000000000 0.71761320352330 15.999 > 6 7 O 0.48453371912285 0.75000000000000 0.21761320352330 15.999 > 7 8 O 0.51546628087714 0.25000000000000 0.78238679647670 15.999 > 8 *9 O 0.37928778542887 0.75000000000000 0.98240854932205 15.999 > 9 10 O 0.62071221457113 0.25000000000000 0.01759145067795 15.999 > 10 11 O 0.87928778542887 0.75000000000000 0.51759145067795 15.999 > 11 12 O 0.12071221457113 0.25000000000000 0.48240854932205 15.999 > 12 *13 O 0.21166283911516 0.25000000000000 0.16735352704959 15.999 > 13 14 O 0.78833716088484 0.75000000000000 0.83264647295040 15.999 > 14 15 O 0.71166283911516 0.25000000000000 0.33264647295041 15.999 > 15 16 O 0.28833716088484 0.75000000000000 0.66735352704960 15.999 > 16 *17 Ba 0.75116941546186 0.25000000000000 0.64848738785043 137.327 > 17 18 Ba 0.24883058453814 0.75000000000000 0.35151261214957 137.327 > 18 19 Ba 0.25116941546186 0.25000000000000 0.85151261214957 137.327 > 19 20 Ba 0.74883058453814 0.75000000000000 0.14848738785043 137.327 > 20 *21 Sm 0.07891194836017 0.75000000000000 0.11073472256999 150.360 > 21 22 Sm 0.92108805163983 0.25000000000000 0.88926527743001 150.360 > 22 23 Sm 0.57891194836017 0.75000000000000 0.38926527743001 150.360 > 23 24 Sm 0.42108805163983 0.25000000000000 0.61073472256999 150.360 > 24 *25 Sm 0.42415240975259 0.25000000000000 0.11138899462971 150.360 > 25 26 Sm 0.57584759024741 0.75000000000000 0.88861100537029 150.360 > 26 27 Sm 0.92415240975259 0.25000000000000 0.38861100537029 150.360 > 27 28 Sm 0.07584759024741 0.75000000000000 0.61138899462971 150.360 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.475580880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.616133750000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.288853319999999 Atomic positions (fractional): *1 O 0.06961096644359 0.25000000000000 0.92374334257399 15.999 > 1 2 O 0.06961096644359 0.58333333333333 0.92374334257399 15.999 > 1 3 O 0.06961096644359 0.91666666666667 0.92374334257399 15.999 > 1 4 O 0.93038903355641 0.08333333333333 0.07625665742601 15.999 > 2 5 O 0.93038903355641 0.41666666666667 0.07625665742601 15.999 > 2 6 O 0.93038903355641 0.75000000000000 0.07625665742601 15.999 > 2 7 O 0.56961096644359 0.25000000000000 0.57625665742601 15.999 > 3 8 O 0.56961096644359 0.58333333333333 0.57625665742601 15.999 > 3 9 O 0.56961096644359 0.91666666666667 0.57625665742601 15.999 > 3 10 O 0.43038903355641 0.08333333333333 0.42374334257399 15.999 > 4 11 O 0.43038903355641 0.41666666666667 0.42374334257399 15.999 > 4 12 O 0.43038903355641 0.75000000000000 0.42374334257399 15.999 > 4 *13 O 0.98453371912286 0.25000000000000 0.28238679647670 15.999 > 5 14 O 0.98453371912286 0.58333333333333 0.28238679647670 15.999 > 5 15 O 0.98453371912286 0.91666666666667 0.28238679647670 15.999 > 5 16 O 0.01546628087714 0.08333333333333 0.71761320352330 15.999 > 6 17 O 0.01546628087714 0.41666666666667 0.71761320352330 15.999 > 6 18 O 0.01546628087714 0.75000000000000 0.71761320352330 15.999 > 6 19 O 0.48453371912285 0.25000000000000 0.21761320352330 15.999 > 7 20 O 0.48453371912285 0.58333333333333 0.21761320352330 15.999 > 7 21 O 0.48453371912285 0.91666666666667 0.21761320352330 15.999 > 7 22 O 0.51546628087714 0.08333333333333 0.78238679647670 15.999 > 8 23 O 0.51546628087714 0.41666666666667 0.78238679647670 15.999 > 8 24 O 0.51546628087714 0.75000000000000 0.78238679647670 15.999 > 8 *25 O 0.37928778542887 0.25000000000000 0.98240854932205 15.999 > 9 26 O 0.37928778542887 0.58333333333333 0.98240854932205 15.999 > 9 27 O 0.37928778542887 0.91666666666667 0.98240854932205 15.999 > 9 28 O 0.62071221457113 0.08333333333333 0.01759145067795 15.999 > 10 29 O 0.62071221457113 0.41666666666667 0.01759145067795 15.999 > 10 30 O 0.62071221457113 0.75000000000000 0.01759145067795 15.999 > 10 31 O 0.87928778542887 0.25000000000000 0.51759145067795 15.999 > 11 32 O 0.87928778542887 0.58333333333333 0.51759145067795 15.999 > 11 33 O 0.87928778542887 0.91666666666667 0.51759145067795 15.999 > 11 34 O 0.12071221457113 0.08333333333333 0.48240854932205 15.999 > 12 35 O 0.12071221457113 0.41666666666667 0.48240854932205 15.999 > 12 36 O 0.12071221457113 0.75000000000000 0.48240854932205 15.999 > 12 *37 O 0.21166283911516 0.08333333333333 0.16735352704959 15.999 > 13 38 O 0.21166283911516 0.41666666666667 0.16735352704959 15.999 > 13 39 O 0.21166283911516 0.75000000000000 0.16735352704959 15.999 > 13 40 O 0.78833716088484 0.25000000000000 0.83264647295040 15.999 > 14 41 O 0.78833716088484 0.58333333333333 0.83264647295040 15.999 > 14 42 O 0.78833716088484 0.91666666666667 0.83264647295040 15.999 > 14 43 O 0.71166283911516 0.08333333333333 0.33264647295041 15.999 > 15 44 O 0.71166283911516 0.41666666666667 0.33264647295041 15.999 > 15 45 O 0.71166283911516 0.75000000000000 0.33264647295041 15.999 > 15 46 O 0.28833716088484 0.25000000000000 0.66735352704960 15.999 > 16 47 O 0.28833716088484 0.58333333333333 0.66735352704960 15.999 > 16 48 O 0.28833716088484 0.91666666666667 0.66735352704960 15.999 > 16 *49 Ba 0.75116941546186 0.08333333333333 0.64848738785043 137.327 > 17 50 Ba 0.75116941546186 0.41666666666667 0.64848738785043 137.327 > 17 51 Ba 0.75116941546186 0.75000000000000 0.64848738785043 137.327 > 17 52 Ba 0.24883058453814 0.25000000000000 0.35151261214957 137.327 > 18 53 Ba 0.24883058453814 0.58333333333333 0.35151261214957 137.327 > 18 54 Ba 0.24883058453814 0.91666666666667 0.35151261214957 137.327 > 18 55 Ba 0.25116941546186 0.08333333333333 0.85151261214957 137.327 > 19 56 Ba 0.25116941546186 0.41666666666667 0.85151261214957 137.327 > 19 57 Ba 0.25116941546186 0.75000000000000 0.85151261214957 137.327 > 19 58 Ba 0.74883058453814 0.25000000000000 0.14848738785043 137.327 > 20 59 Ba 0.74883058453814 0.58333333333333 0.14848738785043 137.327 > 20 60 Ba 0.74883058453814 0.91666666666667 0.14848738785043 137.327 > 20 *61 Sm 0.07891194836017 0.25000000000000 0.11073472256999 150.360 > 21 62 Sm 0.07891194836017 0.58333333333333 0.11073472256999 150.360 > 21 63 Sm 0.07891194836017 0.91666666666667 0.11073472256999 150.360 > 21 64 Sm 0.92108805163983 0.08333333333333 0.88926527743001 150.360 > 22 65 Sm 0.92108805163983 0.41666666666667 0.88926527743001 150.360 > 22 66 Sm 0.92108805163983 0.75000000000000 0.88926527743001 150.360 > 22 67 Sm 0.57891194836017 0.25000000000000 0.38926527743001 150.360 > 23 68 Sm 0.57891194836017 0.58333333333333 0.38926527743001 150.360 > 23 69 Sm 0.57891194836017 0.91666666666667 0.38926527743001 150.360 > 23 70 Sm 0.42108805163983 0.08333333333333 0.61073472256999 150.360 > 24 71 Sm 0.42108805163983 0.41666666666667 0.61073472256999 150.360 > 24 72 Sm 0.42108805163983 0.75000000000000 0.61073472256999 150.360 > 24 *73 Sm 0.42415240975259 0.08333333333333 0.11138899462971 150.360 > 25 74 Sm 0.42415240975259 0.41666666666667 0.11138899462971 150.360 > 25 75 Sm 0.42415240975259 0.75000000000000 0.11138899462971 150.360 > 25 76 Sm 0.57584759024741 0.25000000000000 0.88861100537029 150.360 > 26 77 Sm 0.57584759024741 0.58333333333333 0.88861100537029 150.360 > 26 78 Sm 0.57584759024741 0.91666666666667 0.88861100537029 150.360 > 26 79 Sm 0.92415240975259 0.08333333333333 0.38861100537029 150.360 > 27 80 Sm 0.92415240975259 0.41666666666667 0.38861100537029 150.360 > 27 81 Sm 0.92415240975259 0.75000000000000 0.38861100537029 150.360 > 27 82 Sm 0.07584759024741 0.25000000000000 0.61138899462971 150.360 > 28 83 Sm 0.07584759024741 0.58333333333333 0.61138899462971 150.360 > 28 84 Sm 0.07584759024741 0.91666666666667 0.61138899462971 150.360 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4755792 0.0000000 0.0000000 0.0000000 4.6635814 0.0000000 0.0000000 0.0000000 4.5414512 -------------------------- Born effective charges -------------------------- 1 O -2.5246543 0.0000000 0.0823404 0.0000000 -2.8259267 0.0000000 -0.0758846 0.0000000 -2.5786635 2 O -2.5246543 0.0000000 0.0823404 0.0000000 -2.8259267 0.0000000 -0.0758846 0.0000000 -2.5786635 3 O -2.5246543 0.0000000 -0.0823404 0.0000000 -2.8259267 0.0000000 0.0758846 0.0000000 -2.5786635 4 O -2.5246543 0.0000000 -0.0823404 0.0000000 -2.8259267 0.0000000 0.0758846 0.0000000 -2.5786635 5 O -2.1521384 0.0000000 0.3716952 0.0000000 -2.6785979 0.0000000 0.5219727 0.0000000 -3.1389685 6 O -2.1521384 0.0000000 0.3716952 0.0000000 -2.6785979 0.0000000 0.5219727 0.0000000 -3.1389685 7 O -2.1521384 0.0000000 -0.3716952 0.0000000 -2.6785979 0.0000000 -0.5219727 0.0000000 -3.1389685 8 O -2.1521384 0.0000000 -0.3716952 0.0000000 -2.6785979 0.0000000 -0.5219727 0.0000000 -3.1389685 9 O -2.4750288 0.0000000 -0.0837096 0.0000000 -2.7828087 0.0000000 -0.0709888 0.0000000 -2.6164274 10 O -2.4750288 0.0000000 -0.0837096 0.0000000 -2.7828087 0.0000000 -0.0709888 0.0000000 -2.6164274 11 O -2.4750288 0.0000000 0.0837096 0.0000000 -2.7828087 0.0000000 0.0709888 0.0000000 -2.6164274 12 O -2.4750288 0.0000000 0.0837096 0.0000000 -2.7828087 0.0000000 0.0709888 0.0000000 -2.6164274 13 O -3.0298791 0.0000000 -0.0854961 0.0000000 -2.8200584 0.0000000 -0.0827557 0.0000000 -2.1407037 14 O -3.0298791 0.0000000 -0.0854961 0.0000000 -2.8200584 0.0000000 -0.0827557 0.0000000 -2.1407037 15 O -3.0298791 0.0000000 0.0854961 0.0000000 -2.8200584 0.0000000 0.0827557 0.0000000 -2.1407037 16 O -3.0298791 0.0000000 0.0854961 0.0000000 -2.8200584 0.0000000 0.0827557 0.0000000 -2.1407037 17 Ba 2.8392904 0.0000000 -0.0989384 0.0000000 2.5651267 0.0000000 -0.0525904 0.0000000 2.5863483 18 Ba 2.8392904 0.0000000 -0.0989384 0.0000000 2.5651267 0.0000000 -0.0525904 0.0000000 2.5863483 19 Ba 2.8392904 0.0000000 0.0989384 0.0000000 2.5651267 0.0000000 0.0525904 0.0000000 2.5863483 20 Ba 2.8392904 0.0000000 0.0989384 0.0000000 2.5651267 0.0000000 0.0525904 0.0000000 2.5863483 21 Sm 3.6253571 0.0000000 0.1877079 0.0000000 4.1640672 0.0000000 0.1387976 0.0000000 4.1662463 22 Sm 3.6253571 0.0000000 0.1877079 0.0000000 4.1640672 0.0000000 0.1387976 0.0000000 4.1662463 23 Sm 3.6253571 0.0000000 -0.1877079 0.0000000 4.1640672 0.0000000 -0.1387976 0.0000000 4.1662463 24 Sm 3.6253571 0.0000000 -0.1877079 0.0000000 4.1640672 0.0000000 -0.1387976 0.0000000 4.1662463 25 Sm 3.7170531 0.0000000 -0.2435563 0.0000000 4.3781977 0.0000000 -0.1414425 0.0000000 3.7221686 26 Sm 3.7170531 0.0000000 -0.2435563 0.0000000 4.3781977 0.0000000 -0.1414425 0.0000000 3.7221686 27 Sm 3.7170531 0.0000000 0.2435563 0.0000000 4.3781977 0.0000000 0.1414425 0.0000000 3.7221686 28 Sm 3.7170531 0.0000000 0.2435563 0.0000000 4.3781977 0.0000000 0.1414425 0.0000000 3.7221686 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.391 Solver_block: 200 / 480 - Time: 0.391 Solver_block: 300 / 480 - Time: 0.381 Solver_block: 400 / 480 - Time: 0.380 Solver_block: 480 / 480 - Time: 0.333 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.905 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:01:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:01:24]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.475580880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.538711250000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.288853319999999 Atomic positions (fractional): 1 O 0.06961096644359 0.75000000000000 0.92374334257399 15.999 2 O 0.93038903355641 0.25000000000000 0.07625665742601 15.999 3 O 0.56961096644359 0.75000000000000 0.57625665742601 15.999 4 O 0.43038903355641 0.25000000000000 0.42374334257399 15.999 5 O 0.98453371912286 0.75000000000000 0.28238679647670 15.999 6 O 0.01546628087714 0.25000000000000 0.71761320352330 15.999 7 O 0.48453371912285 0.75000000000000 0.21761320352330 15.999 8 O 0.51546628087714 0.25000000000000 0.78238679647670 15.999 9 O 0.37928778542887 0.75000000000000 0.98240854932205 15.999 10 O 0.62071221457113 0.25000000000000 0.01759145067795 15.999 11 O 0.87928778542887 0.75000000000000 0.51759145067795 15.999 12 O 0.12071221457113 0.25000000000000 0.48240854932205 15.999 13 O 0.21166283911516 0.25000000000000 0.16735352704959 15.999 14 O 0.78833716088484 0.75000000000000 0.83264647295040 15.999 15 O 0.71166283911516 0.25000000000000 0.33264647295041 15.999 16 O 0.28833716088484 0.75000000000000 0.66735352704960 15.999 17 Ba 0.75116941546186 0.25000000000000 0.64848738785043 137.327 18 Ba 0.24883058453814 0.75000000000000 0.35151261214957 137.327 19 Ba 0.25116941546186 0.25000000000000 0.85151261214957 137.327 20 Ba 0.74883058453814 0.75000000000000 0.14848738785043 137.327 21 Sm 0.07891194836017 0.75000000000000 0.11073472256999 150.360 22 Sm 0.92108805163983 0.25000000000000 0.88926527743001 150.360 23 Sm 0.57891194836017 0.75000000000000 0.38926527743001 150.360 24 Sm 0.42108805163983 0.25000000000000 0.61073472256999 150.360 25 Sm 0.42415240975259 0.25000000000000 0.11138899462971 150.360 26 Sm 0.57584759024741 0.75000000000000 0.88861100537029 150.360 27 Sm 0.92415240975259 0.25000000000000 0.38861100537029 150.360 28 Sm 0.07584759024741 0.75000000000000 0.61138899462971 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.475580880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.616133750000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.288853319999999 Atomic positions (fractional): 1 O 0.06961096644359 0.25000000000000 0.92374334257399 15.999 > 1 2 O 0.06961096644359 0.58333333333333 0.92374334257399 15.999 > 1 3 O 0.06961096644359 0.91666666666667 0.92374334257399 15.999 > 1 4 O 0.93038903355641 0.08333333333333 0.07625665742601 15.999 > 4 5 O 0.93038903355641 0.41666666666667 0.07625665742601 15.999 > 4 6 O 0.93038903355641 0.75000000000000 0.07625665742601 15.999 > 4 7 O 0.56961096644359 0.25000000000000 0.57625665742601 15.999 > 7 8 O 0.56961096644359 0.58333333333333 0.57625665742601 15.999 > 7 9 O 0.56961096644359 0.91666666666667 0.57625665742601 15.999 > 7 10 O 0.43038903355641 0.08333333333333 0.42374334257399 15.999 > 10 11 O 0.43038903355641 0.41666666666667 0.42374334257399 15.999 > 10 12 O 0.43038903355641 0.75000000000000 0.42374334257399 15.999 > 10 13 O 0.98453371912286 0.25000000000000 0.28238679647670 15.999 > 13 14 O 0.98453371912286 0.58333333333333 0.28238679647670 15.999 > 13 15 O 0.98453371912286 0.91666666666667 0.28238679647670 15.999 > 13 16 O 0.01546628087714 0.08333333333333 0.71761320352330 15.999 > 16 17 O 0.01546628087714 0.41666666666667 0.71761320352330 15.999 > 16 18 O 0.01546628087714 0.75000000000000 0.71761320352330 15.999 > 16 19 O 0.48453371912285 0.25000000000000 0.21761320352330 15.999 > 19 20 O 0.48453371912285 0.58333333333333 0.21761320352330 15.999 > 19 21 O 0.48453371912285 0.91666666666667 0.21761320352330 15.999 > 19 22 O 0.51546628087714 0.08333333333333 0.78238679647670 15.999 > 22 23 O 0.51546628087714 0.41666666666667 0.78238679647670 15.999 > 22 24 O 0.51546628087714 0.75000000000000 0.78238679647670 15.999 > 22 25 O 0.37928778542887 0.25000000000000 0.98240854932205 15.999 > 25 26 O 0.37928778542887 0.58333333333333 0.98240854932205 15.999 > 25 27 O 0.37928778542887 0.91666666666667 0.98240854932205 15.999 > 25 28 O 0.62071221457113 0.08333333333333 0.01759145067795 15.999 > 28 29 O 0.62071221457113 0.41666666666667 0.01759145067795 15.999 > 28 30 O 0.62071221457113 0.75000000000000 0.01759145067795 15.999 > 28 31 O 0.87928778542887 0.25000000000000 0.51759145067795 15.999 > 31 32 O 0.87928778542887 0.58333333333333 0.51759145067795 15.999 > 31 33 O 0.87928778542887 0.91666666666667 0.51759145067795 15.999 > 31 34 O 0.12071221457113 0.08333333333333 0.48240854932205 15.999 > 34 35 O 0.12071221457113 0.41666666666667 0.48240854932205 15.999 > 34 36 O 0.12071221457113 0.75000000000000 0.48240854932205 15.999 > 34 37 O 0.21166283911516 0.08333333333333 0.16735352704959 15.999 > 37 38 O 0.21166283911516 0.41666666666667 0.16735352704959 15.999 > 37 39 O 0.21166283911516 0.75000000000000 0.16735352704959 15.999 > 37 40 O 0.78833716088484 0.25000000000000 0.83264647295040 15.999 > 40 41 O 0.78833716088484 0.58333333333333 0.83264647295040 15.999 > 40 42 O 0.78833716088484 0.91666666666667 0.83264647295040 15.999 > 40 43 O 0.71166283911516 0.08333333333333 0.33264647295041 15.999 > 43 44 O 0.71166283911516 0.41666666666667 0.33264647295041 15.999 > 43 45 O 0.71166283911516 0.75000000000000 0.33264647295041 15.999 > 43 46 O 0.28833716088484 0.25000000000000 0.66735352704960 15.999 > 46 47 O 0.28833716088484 0.58333333333333 0.66735352704960 15.999 > 46 48 O 0.28833716088484 0.91666666666667 0.66735352704960 15.999 > 46 49 Ba 0.75116941546186 0.08333333333333 0.64848738785043 137.327 > 49 50 Ba 0.75116941546186 0.41666666666667 0.64848738785043 137.327 > 49 51 Ba 0.75116941546186 0.75000000000000 0.64848738785043 137.327 > 49 52 Ba 0.24883058453814 0.25000000000000 0.35151261214957 137.327 > 52 53 Ba 0.24883058453814 0.58333333333333 0.35151261214957 137.327 > 52 54 Ba 0.24883058453814 0.91666666666667 0.35151261214957 137.327 > 52 55 Ba 0.25116941546186 0.08333333333333 0.85151261214957 137.327 > 55 56 Ba 0.25116941546186 0.41666666666667 0.85151261214957 137.327 > 55 57 Ba 0.25116941546186 0.75000000000000 0.85151261214957 137.327 > 55 58 Ba 0.74883058453814 0.25000000000000 0.14848738785043 137.327 > 58 59 Ba 0.74883058453814 0.58333333333333 0.14848738785043 137.327 > 58 60 Ba 0.74883058453814 0.91666666666667 0.14848738785043 137.327 > 58 61 Sm 0.07891194836017 0.25000000000000 0.11073472256999 150.360 > 61 62 Sm 0.07891194836017 0.58333333333333 0.11073472256999 150.360 > 61 63 Sm 0.07891194836017 0.91666666666667 0.11073472256999 150.360 > 61 64 Sm 0.92108805163983 0.08333333333333 0.88926527743001 150.360 > 64 65 Sm 0.92108805163983 0.41666666666667 0.88926527743001 150.360 > 64 66 Sm 0.92108805163983 0.75000000000000 0.88926527743001 150.360 > 64 67 Sm 0.57891194836017 0.25000000000000 0.38926527743001 150.360 > 67 68 Sm 0.57891194836017 0.58333333333333 0.38926527743001 150.360 > 67 69 Sm 0.57891194836017 0.91666666666667 0.38926527743001 150.360 > 67 70 Sm 0.42108805163983 0.08333333333333 0.61073472256999 150.360 > 70 71 Sm 0.42108805163983 0.41666666666667 0.61073472256999 150.360 > 70 72 Sm 0.42108805163983 0.75000000000000 0.61073472256999 150.360 > 70 73 Sm 0.42415240975259 0.08333333333333 0.11138899462971 150.360 > 73 74 Sm 0.42415240975259 0.41666666666667 0.11138899462971 150.360 > 73 75 Sm 0.42415240975259 0.75000000000000 0.11138899462971 150.360 > 73 76 Sm 0.57584759024741 0.25000000000000 0.88861100537029 150.360 > 76 77 Sm 0.57584759024741 0.58333333333333 0.88861100537029 150.360 > 76 78 Sm 0.57584759024741 0.91666666666667 0.88861100537029 150.360 > 76 79 Sm 0.92415240975259 0.08333333333333 0.38861100537029 150.360 > 79 80 Sm 0.92415240975259 0.41666666666667 0.38861100537029 150.360 > 79 81 Sm 0.92415240975259 0.75000000000000 0.38861100537029 150.360 > 79 82 Sm 0.07584759024741 0.25000000000000 0.61138899462971 150.360 > 82 83 Sm 0.07584759024741 0.58333333333333 0.61138899462971 150.360 > 82 84 Sm 0.07584759024741 0.91666666666667 0.61138899462971 150.360 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4755792 0.0000000 0.0000000 0.0000000 4.6635814 0.0000000 0.0000000 0.0000000 4.5414512 -------------------------- Born effective charges -------------------------- 1 O -2.5246543 0.0000000 0.0823404 0.0000000 -2.8259267 0.0000000 -0.0758846 0.0000000 -2.5786635 2 O -2.5246543 0.0000000 0.0823404 0.0000000 -2.8259267 0.0000000 -0.0758846 0.0000000 -2.5786635 3 O -2.5246543 0.0000000 -0.0823404 0.0000000 -2.8259267 0.0000000 0.0758846 0.0000000 -2.5786635 4 O -2.5246543 0.0000000 -0.0823404 0.0000000 -2.8259267 0.0000000 0.0758846 0.0000000 -2.5786635 5 O -2.1521384 0.0000000 0.3716952 0.0000000 -2.6785979 0.0000000 0.5219727 0.0000000 -3.1389685 6 O -2.1521384 0.0000000 0.3716952 0.0000000 -2.6785979 0.0000000 0.5219727 0.0000000 -3.1389685 7 O -2.1521384 0.0000000 -0.3716952 0.0000000 -2.6785979 0.0000000 -0.5219727 0.0000000 -3.1389685 8 O -2.1521384 0.0000000 -0.3716952 0.0000000 -2.6785979 0.0000000 -0.5219727 0.0000000 -3.1389685 9 O -2.4750288 0.0000000 -0.0837096 0.0000000 -2.7828087 0.0000000 -0.0709888 0.0000000 -2.6164274 10 O -2.4750288 0.0000000 -0.0837096 0.0000000 -2.7828087 0.0000000 -0.0709888 0.0000000 -2.6164274 11 O -2.4750288 0.0000000 0.0837096 0.0000000 -2.7828087 0.0000000 0.0709888 0.0000000 -2.6164274 12 O -2.4750288 0.0000000 0.0837096 0.0000000 -2.7828087 0.0000000 0.0709888 0.0000000 -2.6164274 13 O -3.0298791 0.0000000 -0.0854961 0.0000000 -2.8200584 0.0000000 -0.0827557 0.0000000 -2.1407037 14 O -3.0298791 0.0000000 -0.0854961 0.0000000 -2.8200584 0.0000000 -0.0827557 0.0000000 -2.1407037 15 O -3.0298791 0.0000000 0.0854961 0.0000000 -2.8200584 0.0000000 0.0827557 0.0000000 -2.1407037 16 O -3.0298791 0.0000000 0.0854961 0.0000000 -2.8200584 0.0000000 0.0827557 0.0000000 -2.1407037 17 Ba 2.8392904 0.0000000 -0.0989384 0.0000000 2.5651267 0.0000000 -0.0525904 0.0000000 2.5863483 18 Ba 2.8392904 0.0000000 -0.0989384 0.0000000 2.5651267 0.0000000 -0.0525904 0.0000000 2.5863483 19 Ba 2.8392904 0.0000000 0.0989384 0.0000000 2.5651267 0.0000000 0.0525904 0.0000000 2.5863483 20 Ba 2.8392904 0.0000000 0.0989384 0.0000000 2.5651267 0.0000000 0.0525904 0.0000000 2.5863483 21 Sm 3.6253571 0.0000000 0.1877079 0.0000000 4.1640672 0.0000000 0.1387976 0.0000000 4.1662463 22 Sm 3.6253571 0.0000000 0.1877079 0.0000000 4.1640672 0.0000000 0.1387976 0.0000000 4.1662463 23 Sm 3.6253571 0.0000000 -0.1877079 0.0000000 4.1640672 0.0000000 -0.1387976 0.0000000 4.1662463 24 Sm 3.6253571 0.0000000 -0.1877079 0.0000000 4.1640672 0.0000000 -0.1387976 0.0000000 4.1662463 25 Sm 3.7170531 0.0000000 -0.2435563 0.0000000 4.3781977 0.0000000 -0.1414425 0.0000000 3.7221686 26 Sm 3.7170531 0.0000000 -0.2435563 0.0000000 4.3781977 0.0000000 -0.1414425 0.0000000 3.7221686 27 Sm 3.7170531 0.0000000 0.2435563 0.0000000 4.3781977 0.0000000 0.1414425 0.0000000 3.7221686 28 Sm 3.7170531 0.0000000 0.2435563 0.0000000 4.3781977 0.0000000 0.1414425 0.0000000 3.7221686 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) 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 04:01:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:01:42]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.475580880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.538711250000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.288853319999999 Atomic positions (fractional): 1 O 0.06961096644359 0.75000000000000 0.92374334257399 15.999 2 O 0.93038903355641 0.25000000000000 0.07625665742601 15.999 3 O 0.56961096644359 0.75000000000000 0.57625665742601 15.999 4 O 0.43038903355641 0.25000000000000 0.42374334257399 15.999 5 O 0.98453371912286 0.75000000000000 0.28238679647670 15.999 6 O 0.01546628087714 0.25000000000000 0.71761320352330 15.999 7 O 0.48453371912285 0.75000000000000 0.21761320352330 15.999 8 O 0.51546628087714 0.25000000000000 0.78238679647670 15.999 9 O 0.37928778542887 0.75000000000000 0.98240854932205 15.999 10 O 0.62071221457113 0.25000000000000 0.01759145067795 15.999 11 O 0.87928778542887 0.75000000000000 0.51759145067795 15.999 12 O 0.12071221457113 0.25000000000000 0.48240854932205 15.999 13 O 0.21166283911516 0.25000000000000 0.16735352704959 15.999 14 O 0.78833716088484 0.75000000000000 0.83264647295040 15.999 15 O 0.71166283911516 0.25000000000000 0.33264647295041 15.999 16 O 0.28833716088484 0.75000000000000 0.66735352704960 15.999 17 Ba 0.75116941546186 0.25000000000000 0.64848738785043 137.327 18 Ba 0.24883058453814 0.75000000000000 0.35151261214957 137.327 19 Ba 0.25116941546186 0.25000000000000 0.85151261214957 137.327 20 Ba 0.74883058453814 0.75000000000000 0.14848738785043 137.327 21 Sm 0.07891194836017 0.75000000000000 0.11073472256999 150.360 22 Sm 0.92108805163983 0.25000000000000 0.88926527743001 150.360 23 Sm 0.57891194836017 0.75000000000000 0.38926527743001 150.360 24 Sm 0.42108805163983 0.25000000000000 0.61073472256999 150.360 25 Sm 0.42415240975259 0.25000000000000 0.11138899462971 150.360 26 Sm 0.57584759024741 0.75000000000000 0.88861100537029 150.360 27 Sm 0.92415240975259 0.25000000000000 0.38861100537029 150.360 28 Sm 0.07584759024741 0.75000000000000 0.61138899462971 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.475580880000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.616133750000003 0.000000000000000 c 0.000000000000000 0.000000000000000 12.288853319999999 Atomic positions (fractional): 1 O 0.06961096644359 0.25000000000000 0.92374334257399 15.999 > 1 2 O 0.06961096644359 0.58333333333333 0.92374334257399 15.999 > 1 3 O 0.06961096644359 0.91666666666667 0.92374334257399 15.999 > 1 4 O 0.93038903355641 0.08333333333333 0.07625665742601 15.999 > 4 5 O 0.93038903355641 0.41666666666667 0.07625665742601 15.999 > 4 6 O 0.93038903355641 0.75000000000000 0.07625665742601 15.999 > 4 7 O 0.56961096644359 0.25000000000000 0.57625665742601 15.999 > 7 8 O 0.56961096644359 0.58333333333333 0.57625665742601 15.999 > 7 9 O 0.56961096644359 0.91666666666667 0.57625665742601 15.999 > 7 10 O 0.43038903355641 0.08333333333333 0.42374334257399 15.999 > 10 11 O 0.43038903355641 0.41666666666667 0.42374334257399 15.999 > 10 12 O 0.43038903355641 0.75000000000000 0.42374334257399 15.999 > 10 13 O 0.98453371912286 0.25000000000000 0.28238679647670 15.999 > 13 14 O 0.98453371912286 0.58333333333333 0.28238679647670 15.999 > 13 15 O 0.98453371912286 0.91666666666667 0.28238679647670 15.999 > 13 16 O 0.01546628087714 0.08333333333333 0.71761320352330 15.999 > 16 17 O 0.01546628087714 0.41666666666667 0.71761320352330 15.999 > 16 18 O 0.01546628087714 0.75000000000000 0.71761320352330 15.999 > 16 19 O 0.48453371912285 0.25000000000000 0.21761320352330 15.999 > 19 20 O 0.48453371912285 0.58333333333333 0.21761320352330 15.999 > 19 21 O 0.48453371912285 0.91666666666667 0.21761320352330 15.999 > 19 22 O 0.51546628087714 0.08333333333333 0.78238679647670 15.999 > 22 23 O 0.51546628087714 0.41666666666667 0.78238679647670 15.999 > 22 24 O 0.51546628087714 0.75000000000000 0.78238679647670 15.999 > 22 25 O 0.37928778542887 0.25000000000000 0.98240854932205 15.999 > 25 26 O 0.37928778542887 0.58333333333333 0.98240854932205 15.999 > 25 27 O 0.37928778542887 0.91666666666667 0.98240854932205 15.999 > 25 28 O 0.62071221457113 0.08333333333333 0.01759145067795 15.999 > 28 29 O 0.62071221457113 0.41666666666667 0.01759145067795 15.999 > 28 30 O 0.62071221457113 0.75000000000000 0.01759145067795 15.999 > 28 31 O 0.87928778542887 0.25000000000000 0.51759145067795 15.999 > 31 32 O 0.87928778542887 0.58333333333333 0.51759145067795 15.999 > 31 33 O 0.87928778542887 0.91666666666667 0.51759145067795 15.999 > 31 34 O 0.12071221457113 0.08333333333333 0.48240854932205 15.999 > 34 35 O 0.12071221457113 0.41666666666667 0.48240854932205 15.999 > 34 36 O 0.12071221457113 0.75000000000000 0.48240854932205 15.999 > 34 37 O 0.21166283911516 0.08333333333333 0.16735352704959 15.999 > 37 38 O 0.21166283911516 0.41666666666667 0.16735352704959 15.999 > 37 39 O 0.21166283911516 0.75000000000000 0.16735352704959 15.999 > 37 40 O 0.78833716088484 0.25000000000000 0.83264647295040 15.999 > 40 41 O 0.78833716088484 0.58333333333333 0.83264647295040 15.999 > 40 42 O 0.78833716088484 0.91666666666667 0.83264647295040 15.999 > 40 43 O 0.71166283911516 0.08333333333333 0.33264647295041 15.999 > 43 44 O 0.71166283911516 0.41666666666667 0.33264647295041 15.999 > 43 45 O 0.71166283911516 0.75000000000000 0.33264647295041 15.999 > 43 46 O 0.28833716088484 0.25000000000000 0.66735352704960 15.999 > 46 47 O 0.28833716088484 0.58333333333333 0.66735352704960 15.999 > 46 48 O 0.28833716088484 0.91666666666667 0.66735352704960 15.999 > 46 49 Ba 0.75116941546186 0.08333333333333 0.64848738785043 137.327 > 49 50 Ba 0.75116941546186 0.41666666666667 0.64848738785043 137.327 > 49 51 Ba 0.75116941546186 0.75000000000000 0.64848738785043 137.327 > 49 52 Ba 0.24883058453814 0.25000000000000 0.35151261214957 137.327 > 52 53 Ba 0.24883058453814 0.58333333333333 0.35151261214957 137.327 > 52 54 Ba 0.24883058453814 0.91666666666667 0.35151261214957 137.327 > 52 55 Ba 0.25116941546186 0.08333333333333 0.85151261214957 137.327 > 55 56 Ba 0.25116941546186 0.41666666666667 0.85151261214957 137.327 > 55 57 Ba 0.25116941546186 0.75000000000000 0.85151261214957 137.327 > 55 58 Ba 0.74883058453814 0.25000000000000 0.14848738785043 137.327 > 58 59 Ba 0.74883058453814 0.58333333333333 0.14848738785043 137.327 > 58 60 Ba 0.74883058453814 0.91666666666667 0.14848738785043 137.327 > 58 61 Sm 0.07891194836017 0.25000000000000 0.11073472256999 150.360 > 61 62 Sm 0.07891194836017 0.58333333333333 0.11073472256999 150.360 > 61 63 Sm 0.07891194836017 0.91666666666667 0.11073472256999 150.360 > 61 64 Sm 0.92108805163983 0.08333333333333 0.88926527743001 150.360 > 64 65 Sm 0.92108805163983 0.41666666666667 0.88926527743001 150.360 > 64 66 Sm 0.92108805163983 0.75000000000000 0.88926527743001 150.360 > 64 67 Sm 0.57891194836017 0.25000000000000 0.38926527743001 150.360 > 67 68 Sm 0.57891194836017 0.58333333333333 0.38926527743001 150.360 > 67 69 Sm 0.57891194836017 0.91666666666667 0.38926527743001 150.360 > 67 70 Sm 0.42108805163983 0.08333333333333 0.61073472256999 150.360 > 70 71 Sm 0.42108805163983 0.41666666666667 0.61073472256999 150.360 > 70 72 Sm 0.42108805163983 0.75000000000000 0.61073472256999 150.360 > 70 73 Sm 0.42415240975259 0.08333333333333 0.11138899462971 150.360 > 73 74 Sm 0.42415240975259 0.41666666666667 0.11138899462971 150.360 > 73 75 Sm 0.42415240975259 0.75000000000000 0.11138899462971 150.360 > 73 76 Sm 0.57584759024741 0.25000000000000 0.88861100537029 150.360 > 76 77 Sm 0.57584759024741 0.58333333333333 0.88861100537029 150.360 > 76 78 Sm 0.57584759024741 0.91666666666667 0.88861100537029 150.360 > 76 79 Sm 0.92415240975259 0.08333333333333 0.38861100537029 150.360 > 79 80 Sm 0.92415240975259 0.41666666666667 0.38861100537029 150.360 > 79 81 Sm 0.92415240975259 0.75000000000000 0.38861100537029 150.360 > 79 82 Sm 0.07584759024741 0.25000000000000 0.61138899462971 150.360 > 82 83 Sm 0.07584759024741 0.58333333333333 0.61138899462971 150.360 > 82 84 Sm 0.07584759024741 0.91666666666667 0.61138899462971 150.360 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4755792 0.0000000 0.0000000 0.0000000 4.6635814 0.0000000 0.0000000 0.0000000 4.5414512 -------------------------- Born effective charges -------------------------- 1 O -2.5246543 0.0000000 0.0823404 0.0000000 -2.8259267 0.0000000 -0.0758846 0.0000000 -2.5786635 2 O -2.5246543 0.0000000 0.0823404 0.0000000 -2.8259267 0.0000000 -0.0758846 0.0000000 -2.5786635 3 O -2.5246543 0.0000000 -0.0823404 0.0000000 -2.8259267 0.0000000 0.0758846 0.0000000 -2.5786635 4 O -2.5246543 0.0000000 -0.0823404 0.0000000 -2.8259267 0.0000000 0.0758846 0.0000000 -2.5786635 5 O -2.1521384 0.0000000 0.3716952 0.0000000 -2.6785979 0.0000000 0.5219727 0.0000000 -3.1389685 6 O -2.1521384 0.0000000 0.3716952 0.0000000 -2.6785979 0.0000000 0.5219727 0.0000000 -3.1389685 7 O -2.1521384 0.0000000 -0.3716952 0.0000000 -2.6785979 0.0000000 -0.5219727 0.0000000 -3.1389685 8 O -2.1521384 0.0000000 -0.3716952 0.0000000 -2.6785979 0.0000000 -0.5219727 0.0000000 -3.1389685 9 O -2.4750288 0.0000000 -0.0837096 0.0000000 -2.7828087 0.0000000 -0.0709888 0.0000000 -2.6164274 10 O -2.4750288 0.0000000 -0.0837096 0.0000000 -2.7828087 0.0000000 -0.0709888 0.0000000 -2.6164274 11 O -2.4750288 0.0000000 0.0837096 0.0000000 -2.7828087 0.0000000 0.0709888 0.0000000 -2.6164274 12 O -2.4750288 0.0000000 0.0837096 0.0000000 -2.7828087 0.0000000 0.0709888 0.0000000 -2.6164274 13 O -3.0298791 0.0000000 -0.0854961 0.0000000 -2.8200584 0.0000000 -0.0827557 0.0000000 -2.1407037 14 O -3.0298791 0.0000000 -0.0854961 0.0000000 -2.8200584 0.0000000 -0.0827557 0.0000000 -2.1407037 15 O -3.0298791 0.0000000 0.0854961 0.0000000 -2.8200584 0.0000000 0.0827557 0.0000000 -2.1407037 16 O -3.0298791 0.0000000 0.0854961 0.0000000 -2.8200584 0.0000000 0.0827557 0.0000000 -2.1407037 17 Ba 2.8392904 0.0000000 -0.0989384 0.0000000 2.5651267 0.0000000 -0.0525904 0.0000000 2.5863483 18 Ba 2.8392904 0.0000000 -0.0989384 0.0000000 2.5651267 0.0000000 -0.0525904 0.0000000 2.5863483 19 Ba 2.8392904 0.0000000 0.0989384 0.0000000 2.5651267 0.0000000 0.0525904 0.0000000 2.5863483 20 Ba 2.8392904 0.0000000 0.0989384 0.0000000 2.5651267 0.0000000 0.0525904 0.0000000 2.5863483 21 Sm 3.6253571 0.0000000 0.1877079 0.0000000 4.1640672 0.0000000 0.1387976 0.0000000 4.1662463 22 Sm 3.6253571 0.0000000 0.1877079 0.0000000 4.1640672 0.0000000 0.1387976 0.0000000 4.1662463 23 Sm 3.6253571 0.0000000 -0.1877079 0.0000000 4.1640672 0.0000000 -0.1387976 0.0000000 4.1662463 24 Sm 3.6253571 0.0000000 -0.1877079 0.0000000 4.1640672 0.0000000 -0.1387976 0.0000000 4.1662463 25 Sm 3.7170531 0.0000000 -0.2435563 0.0000000 4.3781977 0.0000000 -0.1414425 0.0000000 3.7221686 26 Sm 3.7170531 0.0000000 -0.2435563 0.0000000 4.3781977 0.0000000 -0.1414425 0.0000000 3.7221686 27 Sm 3.7170531 0.0000000 0.2435563 0.0000000 4.3781977 0.0000000 0.1414425 0.0000000 3.7221686 28 Sm 3.7170531 0.0000000 0.2435563 0.0000000 4.3781977 0.0000000 0.1414425 0.0000000 3.7221686 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 4 ] 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: 0.54, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 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 1.503 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 1.994 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 2.246 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.831 ( 0.000 0.000 0.000) 0.000 2.953 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.219 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.475 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.415 ( 0.000 0.000 0.000) 0.000 6.996 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.445 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 7.666 ( 0.000 0.000 0.000) 0.000 7.779 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 7.899 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.292 ( 0.000 0.000 0.000) 0.000 8.517 ( 0.000 0.000 0.000) 0.000 8.606 ( 0.000 0.000 0.000) 0.000 8.742 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.320 ( 0.000 0.000 0.000) 0.000 9.523 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.378 ( 0.000 0.000 0.000) 0.000 10.552 ( 0.000 0.000 0.000) 0.000 10.628 ( 0.000 0.000 0.000) 0.000 10.918 ( 0.000 0.000 0.000) 0.000 11.292 ( 0.000 0.000 0.000) 0.000 11.481 ( 0.000 0.000 0.000) 0.000 11.517 ( 0.000 0.000 0.000) 0.000 11.518 ( 0.000 0.000 0.000) 0.000 11.535 ( 0.000 0.000 0.000) 0.000 11.784 ( 0.000 0.000 0.000) 0.000 12.013 ( 0.000 0.000 0.000) 0.000 12.082 ( 0.000 0.000 0.000) 0.000 12.927 ( 0.000 0.000 0.000) 0.000 12.980 ( 0.000 0.000 0.000) 0.000 13.307 ( 0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 15.149 ( 0.000 0.000 0.000) 0.000 15.307 ( 0.000 0.000 0.000) 0.000 15.448 ( 0.000 0.000 0.000) 0.000 16.398 ( 0.000 0.000 0.000) 0.000 16.540 ( 0.000 0.000 0.000) 0.000 16.684 ( 0.000 0.000 0.000) 0.000 16.685 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 25.734 0.000 0.000) 25.734 0.505 ( 25.890 0.000 0.000) 25.890 0.857 ( 44.763 0.000 0.000) 44.763 1.522 ( 1.049 0.000 0.000) 1.049 1.783 ( -13.033 0.000 0.000) 13.033 1.795 ( -1.017 0.000 0.000) 1.017 1.839 ( -16.046 0.000 0.000) 16.046 1.975 ( -0.306 0.000 0.000) 0.306 2.029 ( 1.934 0.000 0.000) 1.934 2.084 ( 11.754 0.000 0.000) 11.754 2.092 ( 0.276 0.000 0.000) 0.276 2.229 ( -0.873 0.000 0.000) 0.873 2.255 ( 1.384 0.000 0.000) 1.384 2.284 ( 0.631 0.000 0.000) 0.631 2.483 ( 2.577 0.000 0.000) 2.577 2.574 ( -0.492 0.000 0.000) 0.492 2.628 ( 2.634 0.000 0.000) 2.634 2.780 ( -4.086 0.000 0.000) 4.086 2.801 ( 2.225 0.000 0.000) 2.225 2.829 ( 11.597 0.000 0.000) 11.597 2.980 ( -1.910 0.000 0.000) 1.910 3.013 ( 5.217 0.000 0.000) 5.217 3.194 ( 0.327 0.000 0.000) 0.327 3.342 ( -23.196 0.000 0.000) 23.196 3.681 ( 6.571 0.000 0.000) 6.571 3.842 ( 8.394 0.000 0.000) 8.394 3.990 ( -10.689 0.000 0.000) 10.689 4.130 ( -20.079 0.000 0.000) 20.079 4.576 ( -0.280 0.000 0.000) 0.280 4.692 ( -10.353 0.000 0.000) 10.353 4.770 ( 7.393 0.000 0.000) 7.393 4.854 ( 5.453 0.000 0.000) 5.453 4.922 ( -2.547 0.000 0.000) 2.547 4.969 ( -4.952 0.000 0.000) 4.952 5.463 ( 4.426 0.000 0.000) 4.426 5.480 ( 2.519 0.000 0.000) 2.519 5.578 ( 0.965 0.000 0.000) 0.965 5.861 ( 11.286 0.000 0.000) 11.286 6.037 ( -17.969 0.000 0.000) 17.969 6.494 ( -3.574 0.000 0.000) 3.574 7.019 ( 2.372 0.000 0.000) 2.372 7.240 ( 12.137 0.000 0.000) 12.137 7.305 ( -5.108 0.000 0.000) 5.108 7.458 ( 1.456 0.000 0.000) 1.456 7.626 ( 0.800 0.000 0.000) 0.800 7.696 ( 2.035 0.000 0.000) 2.035 7.801 ( -0.314 0.000 0.000) 0.314 7.804 ( -5.880 0.000 0.000) 5.880 8.129 ( 8.472 0.000 0.000) 8.472 8.343 ( 4.455 0.000 0.000) 4.455 8.583 ( -2.056 0.000 0.000) 2.056 8.686 ( 15.551 0.000 0.000) 15.551 8.719 ( -2.439 0.000 0.000) 2.439 9.038 ( -0.067 0.000 0.000) 0.067 9.257 ( -4.568 0.000 0.000) 4.568 9.406 ( -9.711 0.000 0.000) 9.711 9.757 ( 0.595 0.000 0.000) 0.595 9.842 ( -1.416 0.000 0.000) 1.416 10.197 ( 13.014 0.000 0.000) 13.014 10.212 ( 5.933 0.000 0.000) 5.933 10.418 ( 7.513 0.000 0.000) 7.513 10.559 ( 0.742 0.000 0.000) 0.742 10.621 ( -0.729 0.000 0.000) 0.729 10.888 ( -16.098 0.000 0.000) 16.098 10.896 ( -2.418 0.000 0.000) 2.418 11.346 ( -1.018 0.000 0.000) 1.018 11.484 ( 0.274 0.000 0.000) 0.274 11.508 ( -0.494 0.000 0.000) 0.494 11.526 ( 0.375 0.000 0.000) 0.375 11.535 ( -0.019 0.000 0.000) 0.019 11.790 ( 0.909 0.000 0.000) 0.909 11.995 ( -7.306 0.000 0.000) 7.306 12.823 ( 0.001 0.000 0.000) 0.001 12.948 ( -3.030 0.000 0.000) 3.030 13.324 ( 1.590 0.000 0.000) 1.590 13.400 ( -0.480 0.000 0.000) 0.480 15.102 ( 1.921 0.000 0.000) 1.921 15.289 ( -1.762 0.000 0.000) 1.762 15.481 ( 2.812 0.000 0.000) 2.812 15.576 ( -0.635 0.000 0.000) 0.635 16.436 ( 0.616 0.000 0.000) 0.616 16.527 ( -1.465 0.000 0.000) 1.465 16.671 ( -0.855 0.000 0.000) 0.855 16.696 ( 0.622 0.000 0.000) 0.622 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 23.370 0.000 0.000) 23.370 0.979 ( 24.773 0.000 0.000) 24.773 1.380 ( -17.632 0.000 0.000) 17.632 1.436 ( -22.300 0.000 0.000) 22.300 1.670 ( 2.647 0.000 0.000) 2.647 1.693 ( 39.632 0.000 0.000) 39.632 1.746 ( -3.969 0.000 0.000) 3.969 1.994 ( 2.392 0.000 0.000) 2.392 2.052 ( -3.263 0.000 0.000) 3.263 2.069 ( 0.543 0.000 0.000) 0.543 2.199 ( 0.185 0.000 0.000) 0.185 2.284 ( 1.143 0.000 0.000) 1.143 2.293 ( 0.153 0.000 0.000) 0.153 2.411 ( 16.944 0.000 0.000) 16.944 2.486 ( -24.456 0.000 0.000) 24.456 2.530 ( 2.002 0.000 0.000) 2.002 2.559 ( -1.103 0.000 0.000) 1.103 2.672 ( -8.851 0.000 0.000) 8.851 2.859 ( 3.643 0.000 0.000) 3.643 2.863 ( -7.623 0.000 0.000) 7.623 2.884 ( -3.660 0.000 0.000) 3.660 2.928 ( -3.355 0.000 0.000) 3.355 3.311 ( 17.096 0.000 0.000) 17.096 3.377 ( 16.436 0.000 0.000) 16.436 3.719 ( -21.241 0.000 0.000) 21.241 3.728 ( -16.169 0.000 0.000) 16.169 3.856 ( 10.545 0.000 0.000) 10.545 3.985 ( 2.042 0.000 0.000) 2.042 4.444 ( -7.602 0.000 0.000) 7.602 4.493 ( -7.188 0.000 0.000) 7.188 4.869 ( -1.285 0.000 0.000) 1.285 4.872 ( -0.298 0.000 0.000) 0.298 4.938 ( 2.327 0.000 0.000) 2.327 4.945 ( 2.332 0.000 0.000) 2.332 5.523 ( 2.244 0.000 0.000) 2.244 5.533 ( 1.897 0.000 0.000) 1.897 5.638 ( 4.212 0.000 0.000) 4.212 5.762 ( -10.055 0.000 0.000) 10.055 6.092 ( 12.653 0.000 0.000) 12.653 6.330 ( -11.665 0.000 0.000) 11.665 7.086 ( 4.638 0.000 0.000) 4.638 7.192 ( -6.127 0.000 0.000) 6.127 7.458 ( 7.761 0.000 0.000) 7.761 7.496 ( 1.867 0.000 0.000) 1.867 7.653 ( 2.070 0.000 0.000) 2.070 7.709 ( -3.944 0.000 0.000) 3.944 7.720 ( 1.228 0.000 0.000) 1.228 7.771 ( -3.001 0.000 0.000) 3.001 8.287 ( 7.617 0.000 0.000) 7.617 8.391 ( -1.790 0.000 0.000) 1.790 8.570 ( 2.438 0.000 0.000) 2.438 8.651 ( -4.516 0.000 0.000) 4.516 8.989 ( 13.026 0.000 0.000) 13.026 9.069 ( 3.418 0.000 0.000) 3.418 9.178 ( -4.042 0.000 0.000) 4.042 9.222 ( -8.440 0.000 0.000) 8.440 9.775 ( 1.392 0.000 0.000) 1.392 9.808 ( -1.903 0.000 0.000) 1.903 10.295 ( 6.211 0.000 0.000) 6.211 10.416 ( 3.491 0.000 0.000) 3.491 10.579 ( 1.183 0.000 0.000) 1.183 10.602 ( -1.176 0.000 0.000) 1.176 10.612 ( -6.513 0.000 0.000) 6.513 10.636 ( 6.174 0.000 0.000) 6.174 10.870 ( 5.909 0.000 0.000) 5.909 11.165 ( -16.736 0.000 0.000) 16.736 11.491 ( 0.407 0.000 0.000) 0.407 11.499 ( -0.453 0.000 0.000) 0.453 11.531 ( 0.199 0.000 0.000) 0.199 11.534 ( -0.070 0.000 0.000) 0.070 11.824 ( 2.591 0.000 0.000) 2.591 11.883 ( -3.873 0.000 0.000) 3.873 12.835 ( 1.488 0.000 0.000) 1.488 12.882 ( -3.331 0.000 0.000) 3.331 13.358 ( 1.695 0.000 0.000) 1.695 13.385 ( -1.120 0.000 0.000) 1.120 15.160 ( 4.031 0.000 0.000) 4.031 15.238 ( -3.608 0.000 0.000) 3.608 15.530 ( 2.052 0.000 0.000) 2.052 15.559 ( -1.098 0.000 0.000) 1.098 16.456 ( 1.444 0.000 0.000) 1.444 16.490 ( -2.054 0.000 0.000) 2.054 16.671 ( 0.920 0.000 0.000) 0.920 16.693 ( -0.942 0.000 0.000) 0.942 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 0.000 25.998 0.000) 25.998 0.572 ( 0.000 27.753 0.000) 27.753 1.121 ( 0.000 54.554 0.000) 54.554 1.746 ( 0.000 21.211 0.000) 21.211 1.894 ( 0.000 2.991 0.000) 2.991 1.934 ( 0.000 11.646 0.000) 11.646 2.030 ( 0.000 1.888 0.000) 1.888 2.100 ( 0.000 4.923 0.000) 4.923 2.121 ( 0.000 11.115 0.000) 11.115 2.196 ( 0.000 18.449 0.000) 18.449 2.217 ( 0.000 18.363 0.000) 18.363 2.230 ( 0.000 2.256 0.000) 2.256 2.398 ( 0.000 13.532 0.000) 13.532 2.480 ( 0.000 15.629 0.000) 15.629 2.574 ( 0.000 -0.483 0.000) 0.483 2.640 ( 0.000 -0.454 0.000) 0.454 2.646 ( 0.000 17.646 0.000) 17.646 2.714 ( 0.000 0.730 0.000) 0.730 2.756 ( 0.000 16.524 0.000) 16.524 2.971 ( 0.000 2.033 0.000) 2.033 3.099 ( 0.000 18.558 0.000) 18.558 3.192 ( 0.000 18.189 0.000) 18.189 3.207 ( 0.000 -1.069 0.000) 1.069 3.647 ( 0.000 8.473 0.000) 8.473 3.651 ( 0.000 3.622 0.000) 3.622 3.795 ( 0.000 5.727 0.000) 5.727 4.091 ( 0.000 -2.051 0.000) 2.051 4.116 ( 0.000 -0.518 0.000) 0.518 4.486 ( 0.000 1.253 0.000) 1.253 4.603 ( 0.000 -0.450 0.000) 0.450 4.757 ( 0.000 -3.457 0.000) 3.457 4.796 ( 0.000 -3.186 0.000) 3.186 4.911 ( 0.000 -1.069 0.000) 1.069 5.050 ( 0.000 -0.246 0.000) 0.246 5.409 ( 0.000 -2.362 0.000) 2.362 5.426 ( 0.000 1.349 0.000) 1.349 5.585 ( 0.000 -2.910 0.000) 2.910 5.681 ( 0.000 -1.470 0.000) 1.470 6.150 ( 0.000 -2.736 0.000) 2.736 6.342 ( 0.000 -6.648 0.000) 6.648 7.050 ( 0.000 0.341 0.000) 0.341 7.458 ( 0.000 0.994 0.000) 0.994 7.491 ( 0.000 0.716 0.000) 0.716 7.631 ( 0.000 -3.380 0.000) 3.380 7.641 ( 0.000 11.473 0.000) 11.473 7.739 ( 0.000 -1.467 0.000) 1.467 7.792 ( 0.000 -0.133 0.000) 0.133 7.969 ( 0.000 6.258 0.000) 6.258 8.243 ( 0.000 19.528 0.000) 19.528 8.453 ( 0.000 14.392 0.000) 14.392 8.551 ( 0.000 3.445 0.000) 3.445 8.725 ( 0.000 10.917 0.000) 10.917 8.888 ( 0.000 11.914 0.000) 11.914 9.060 ( 0.000 1.801 0.000) 1.801 9.336 ( 0.000 2.404 0.000) 2.404 9.428 ( 0.000 -9.079 0.000) 9.079 9.733 ( 0.000 -8.902 0.000) 8.902 9.787 ( 0.000 7.426 0.000) 7.426 9.999 ( 0.000 -9.935 0.000) 9.935 10.145 ( 0.000 7.220 0.000) 7.220 10.412 ( 0.000 -12.493 0.000) 12.493 10.548 ( 0.000 12.759 0.000) 12.759 10.559 ( 0.000 -6.382 0.000) 6.382 10.926 ( 0.000 0.959 0.000) 0.959 11.114 ( 0.000 -3.220 0.000) 3.220 11.315 ( 0.000 2.056 0.000) 2.056 11.366 ( 0.000 -13.439 0.000) 13.439 11.437 ( 0.000 -6.445 0.000) 6.445 11.522 ( 0.000 0.901 0.000) 0.901 11.859 ( 0.000 5.991 0.000) 5.991 12.048 ( 0.000 2.508 0.000) 2.508 12.108 ( 0.000 2.468 0.000) 2.468 12.848 ( 0.000 -8.093 0.000) 8.093 13.009 ( 0.000 1.569 0.000) 1.569 13.235 ( 0.000 -7.068 0.000) 7.068 13.287 ( 0.000 -11.190 0.000) 11.190 15.156 ( 0.000 -0.012 0.000) 0.012 15.277 ( 0.000 -2.769 0.000) 2.769 15.389 ( 0.000 -5.519 0.000) 5.519 15.526 ( 0.000 -1.450 0.000) 1.450 16.323 ( 0.000 -7.156 0.000) 7.156 16.449 ( 0.000 -8.807 0.000) 8.807 16.577 ( 0.000 -10.282 0.000) 10.282 16.593 ( 0.000 -8.922 0.000) 8.922 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( 18.319 17.486 0.000) 25.325 0.746 ( 15.939 20.267 0.000) 25.784 1.408 ( 25.164 42.521 0.000) 49.410 1.761 ( 0.302 20.570 0.000) 20.573 1.852 ( -12.581 3.325 0.000) 13.013 1.934 ( -12.741 12.600 0.000) 17.919 1.949 ( -0.469 13.865 0.000) 13.873 2.062 ( 2.998 3.392 0.000) 4.527 2.080 ( 9.765 4.578 0.000) 10.785 2.214 ( 0.358 8.628 0.000) 8.636 2.221 ( 0.758 9.576 0.000) 9.606 2.265 ( -0.642 16.076 0.000) 16.089 2.403 ( 1.495 13.226 0.000) 13.311 2.472 ( -0.750 14.859 0.000) 14.878 2.614 ( 2.183 0.741 0.000) 2.305 2.654 ( 1.554 12.681 0.000) 12.775 2.730 ( 0.628 3.063 0.000) 3.126 2.744 ( -0.548 14.600 0.000) 14.610 2.832 ( 12.625 1.719 0.000) 12.742 3.010 ( 2.608 6.507 0.000) 7.010 3.100 ( 2.312 14.581 0.000) 14.764 3.158 ( -2.351 10.339 0.000) 10.603 3.198 ( 0.539 7.351 0.000) 7.370 3.398 ( -21.747 7.029 0.000) 22.855 3.724 ( 6.680 5.786 0.000) 8.838 3.887 ( 7.598 4.783 0.000) 8.978 3.975 ( -10.355 -1.363 0.000) 10.444 4.029 ( -12.414 -4.276 0.000) 13.130 4.515 ( 1.918 -0.620 0.000) 2.016 4.681 ( -9.617 -0.984 0.000) 9.667 4.730 ( 6.372 -3.456 0.000) 7.249 4.785 ( 3.480 -4.478 0.000) 5.671 4.897 ( -1.982 -1.626 0.000) 2.564 4.958 ( -5.562 -1.019 0.000) 5.655 5.469 ( 3.682 0.522 0.000) 3.719 5.474 ( 3.356 -0.238 0.000) 3.365 5.538 ( 0.683 -3.606 0.000) 3.670 5.825 ( 10.374 -2.746 0.000) 10.731 5.953 ( -14.335 -3.752 0.000) 14.818 6.359 ( -2.063 -5.320 0.000) 5.706 7.185 ( 11.333 -3.006 0.000) 11.725 7.444 ( -1.018 -1.262 0.000) 1.621 7.501 ( 0.820 7.390 0.000) 7.435 7.568 ( -7.078 9.200 0.000) 11.607 7.623 ( -0.973 8.072 0.000) 8.130 7.696 ( -0.686 5.244 0.000) 5.288 7.824 ( 1.515 1.731 0.000) 2.300 7.898 ( -5.559 8.502 0.000) 10.158 8.290 ( 6.095 15.864 0.000) 16.994 8.468 ( 3.301 11.723 0.000) 12.179 8.686 ( 2.441 7.781 0.000) 8.155 8.747 ( 10.876 7.730 0.000) 13.343 8.841 ( -4.106 10.884 0.000) 11.632 9.061 ( 0.568 2.392 0.000) 2.458 9.285 ( -3.373 3.234 0.000) 4.674 9.368 ( -6.232 -4.409 0.000) 7.634 9.705 ( -2.611 -2.446 0.000) 3.578 9.777 ( 2.367 -5.992 0.000) 6.443 10.186 ( 11.945 -1.847 0.000) 12.087 10.254 ( 9.510 4.211 0.000) 10.401 10.419 ( 0.812 -12.466 0.000) 12.492 10.501 ( -3.822 -7.665 0.000) 8.565 10.540 ( 1.575 9.954 0.000) 10.078 10.898 ( -3.091 0.114 0.000) 3.093 10.969 ( -15.799 0.348 0.000) 15.803 11.282 ( -0.610 -7.416 0.000) 7.441 11.425 ( 2.029 -4.096 0.000) 4.571 11.440 ( -0.446 -4.524 0.000) 4.546 11.481 ( -2.819 -3.179 0.000) 4.249 11.697 ( -20.137 10.394 0.000) 22.661 11.901 ( 3.662 8.385 0.000) 9.149 12.057 ( -4.772 4.952 0.000) 6.877 12.806 ( -1.685 -4.722 0.000) 5.014 12.953 ( -4.934 -0.824 0.000) 5.003 13.263 ( 2.219 -6.007 0.000) 6.404 13.300 ( 0.948 -9.868 0.000) 9.914 15.129 ( -0.196 1.234 0.000) 1.249 15.264 ( -1.294 -2.333 0.000) 2.668 15.427 ( 3.231 -5.174 0.000) 6.100 15.552 ( 0.412 -2.431 0.000) 2.466 16.340 ( 1.138 -8.408 0.000) 8.484 16.436 ( -1.478 -8.822 0.000) 8.945 16.568 ( -0.387 -9.803 0.000) 9.810 16.604 ( 0.710 -8.785 0.000) 8.813 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 20.495 11.806 0.000) 23.652 1.127 ( 23.666 11.650 0.000) 26.378 1.500 ( -20.223 6.687 0.000) 21.300 1.551 ( -19.778 13.257 0.000) 23.810 1.869 ( 3.308 17.661 0.000) 17.968 1.930 ( -1.805 15.923 0.000) 16.025 1.946 ( 25.232 23.143 0.000) 34.238 2.134 ( 3.521 5.785 0.000) 6.772 2.181 ( -0.012 13.510 0.000) 13.510 2.201 ( -5.053 13.563 0.000) 14.474 2.251 ( 5.805 8.594 0.000) 10.371 2.408 ( 13.828 5.651 0.000) 14.938 2.424 ( -0.785 13.035 0.000) 13.059 2.468 ( 2.897 10.711 0.000) 11.096 2.591 ( -13.733 7.989 0.000) 15.888 2.642 ( 1.561 6.241 0.000) 6.433 2.700 ( -6.869 9.141 0.000) 11.434 2.710 ( -2.961 12.521 0.000) 12.866 2.915 ( -8.663 7.600 0.000) 11.524 2.918 ( -2.425 5.112 0.000) 5.659 3.089 ( -0.690 19.466 0.000) 19.478 3.121 ( -2.373 17.608 0.000) 17.768 3.315 ( 15.688 0.940 0.000) 15.716 3.363 ( 15.869 -0.825 0.000) 15.890 3.695 ( -18.524 -2.077 0.000) 18.640 3.718 ( -15.927 -0.860 0.000) 15.950 3.895 ( 9.534 5.302 0.000) 10.909 4.012 ( 1.637 3.476 0.000) 3.842 4.453 ( -7.231 0.995 0.000) 7.299 4.480 ( -5.108 -0.109 0.000) 5.110 4.827 ( 1.610 -4.386 0.000) 4.672 4.842 ( -0.799 -3.760 0.000) 3.844 4.872 ( 2.281 -4.211 0.000) 4.789 4.899 ( -0.907 -2.724 0.000) 2.871 5.510 ( 1.848 -0.778 0.000) 2.005 5.524 ( 1.196 -0.758 0.000) 1.416 5.610 ( 4.650 -2.396 0.000) 5.231 5.724 ( -8.562 -2.278 0.000) 8.860 6.036 ( 11.397 -3.863 0.000) 12.034 6.242 ( -9.389 -4.899 0.000) 10.590 7.378 ( 6.677 -6.456 0.000) 9.288 7.427 ( -0.865 0.863 0.000) 1.222 7.475 ( -1.292 22.659 0.000) 22.696 7.499 ( -1.441 14.650 0.000) 14.721 7.643 ( 3.273 0.321 0.000) 3.289 7.695 ( -0.545 -0.279 0.000) 0.612 7.805 ( -3.280 7.928 0.000) 8.580 7.812 ( -2.296 4.373 0.000) 4.939 8.435 ( 7.727 13.244 0.000) 15.333 8.530 ( -0.155 12.929 0.000) 12.930 8.672 ( 1.274 9.348 0.000) 9.434 8.751 ( -5.100 9.556 0.000) 10.832 9.038 ( 13.745 4.875 0.000) 14.584 9.104 ( 4.242 2.672 0.000) 5.013 9.216 ( -4.934 4.220 0.000) 6.492 9.225 ( -7.475 0.219 0.000) 7.478 9.724 ( 3.537 -5.158 0.000) 6.254 9.784 ( -1.702 -3.307 0.000) 3.719 10.313 ( 3.552 1.926 0.000) 4.041 10.378 ( -0.830 -3.375 0.000) 3.475 10.452 ( 3.195 -10.081 0.000) 10.576 10.510 ( 5.944 -5.792 0.000) 8.299 10.640 ( -13.092 0.913 0.000) 13.124 10.657 ( 1.757 0.666 0.000) 1.879 10.883 ( 9.371 1.535 0.000) 9.496 11.214 ( -15.633 4.690 0.000) 16.321 11.342 ( -2.009 -13.450 0.000) 13.600 11.383 ( -3.716 -8.246 0.000) 9.045 11.477 ( 1.003 -2.505 0.000) 2.699 11.499 ( -1.765 0.786 0.000) 1.932 11.969 ( 2.835 10.026 0.000) 10.419 12.003 ( -1.200 8.122 0.000) 8.210 12.800 ( 1.240 -4.557 0.000) 4.722 12.856 ( -4.464 -3.593 0.000) 5.731 13.299 ( 1.340 -6.108 0.000) 6.253 13.311 ( 0.051 -7.627 0.000) 7.628 15.161 ( 3.108 -0.098 0.000) 3.109 15.224 ( -2.933 -1.286 0.000) 3.203 15.489 ( 2.939 -4.112 0.000) 5.054 15.535 ( -1.823 -2.711 0.000) 3.267 16.365 ( 1.526 -8.707 0.000) 8.840 16.399 ( -2.045 -8.790 0.000) 9.025 16.577 ( 1.263 -9.019 0.000) 9.107 16.603 ( -0.991 -8.694 0.000) 8.750 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 0.000 24.332 0.000) 24.332 1.106 ( 0.000 24.835 0.000) 24.835 1.952 ( 0.000 8.089 0.000) 8.089 2.077 ( 0.000 2.486 0.000) 2.486 2.148 ( 0.000 8.472 0.000) 8.472 2.204 ( 0.000 45.043 0.000) 45.043 2.207 ( 0.000 20.342 0.000) 20.342 2.258 ( 0.000 6.729 0.000) 6.729 2.366 ( 0.000 11.477 0.000) 11.477 2.375 ( 0.000 14.891 0.000) 14.891 2.544 ( 0.000 1.351 0.000) 1.351 2.603 ( 0.000 6.230 0.000) 6.230 2.659 ( 0.000 19.008 0.000) 19.008 2.695 ( 0.000 21.240 0.000) 21.240 2.733 ( 0.000 18.823 0.000) 18.823 2.829 ( 0.000 17.417 0.000) 17.417 2.830 ( 0.000 10.290 0.000) 10.290 3.058 ( 0.000 7.203 0.000) 7.203 3.061 ( 0.000 20.180 0.000) 20.180 3.174 ( 0.000 14.878 0.000) 14.878 3.190 ( 0.000 7.583 0.000) 7.583 3.488 ( 0.000 18.529 0.000) 18.529 3.674 ( 0.000 28.146 0.000) 28.146 3.833 ( 0.000 14.608 0.000) 14.608 3.906 ( 0.000 14.243 0.000) 14.243 3.986 ( 0.000 13.217 0.000) 13.217 4.056 ( 0.000 0.910 0.000) 0.910 4.128 ( 0.000 4.882 0.000) 4.882 4.532 ( 0.000 3.010 0.000) 3.010 4.628 ( 0.000 3.655 0.000) 3.655 4.661 ( 0.000 -5.307 0.000) 5.307 4.710 ( 0.000 -4.499 0.000) 4.499 4.871 ( 0.000 -3.003 0.000) 3.003 5.038 ( 0.000 -0.921 0.000) 0.921 5.339 ( 0.000 -4.682 0.000) 4.682 5.455 ( 0.000 1.100 0.000) 1.100 5.545 ( 0.000 -0.027 0.000) 0.027 5.660 ( 0.000 -0.229 0.000) 0.229 6.095 ( 0.000 -2.255 0.000) 2.255 6.179 ( 0.000 -8.609 0.000) 8.609 7.060 ( 0.000 0.642 0.000) 0.642 7.322 ( 0.000 -12.596 0.000) 12.596 7.464 ( 0.000 -0.895 0.000) 0.895 7.540 ( 0.000 -5.294 0.000) 5.294 7.748 ( 0.000 2.325 0.000) 2.325 7.821 ( 0.000 3.141 0.000) 3.141 7.999 ( 0.000 16.719 0.000) 16.719 8.099 ( 0.000 5.578 0.000) 5.578 8.640 ( 0.000 4.193 0.000) 4.193 8.677 ( 0.000 20.545 0.000) 20.545 8.747 ( 0.000 9.934 0.000) 9.934 9.018 ( 0.000 -2.724 0.000) 2.724 9.018 ( 0.000 18.711 0.000) 18.711 9.122 ( 0.000 4.375 0.000) 4.375 9.273 ( 0.000 -4.235 0.000) 4.235 9.499 ( 0.000 13.738 0.000) 13.738 9.528 ( 0.000 -11.079 0.000) 11.079 9.732 ( 0.000 -15.873 0.000) 15.873 10.050 ( 0.000 17.694 0.000) 17.694 10.178 ( 0.000 -6.662 0.000) 6.662 10.290 ( 0.000 6.369 0.000) 6.369 10.428 ( 0.000 -3.918 0.000) 3.918 10.781 ( 0.000 9.009 0.000) 9.009 10.967 ( 0.000 3.404 0.000) 3.404 11.016 ( 0.000 -6.421 0.000) 6.421 11.145 ( 0.000 -5.398 0.000) 5.398 11.303 ( 0.000 -5.983 0.000) 5.983 11.362 ( 0.000 2.235 0.000) 2.235 11.549 ( 0.000 1.240 0.000) 1.240 11.968 ( 0.000 3.287 0.000) 3.287 12.091 ( 0.000 1.529 0.000) 1.529 12.175 ( 0.000 3.865 0.000) 3.865 12.596 ( 0.000 -16.708 0.000) 16.708 12.982 ( 0.000 -5.374 0.000) 5.374 12.987 ( 0.000 -17.284 0.000) 17.284 13.035 ( 0.000 -12.004 0.000) 12.004 15.119 ( 0.000 -4.033 0.000) 4.033 15.206 ( 0.000 -3.862 0.000) 3.862 15.244 ( 0.000 -8.268 0.000) 8.268 15.480 ( 0.000 -3.110 0.000) 3.110 16.123 ( 0.000 -12.164 0.000) 12.164 16.200 ( 0.000 -15.329 0.000) 15.329 16.297 ( 0.000 -16.473 0.000) 16.473 16.341 ( 0.000 -15.458 0.000) 15.458 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 8.750 21.604 0.000) 23.309 1.190 ( 8.395 22.213 0.000) 23.747 1.948 ( -7.374 6.868 0.000) 10.077 2.097 ( 1.293 6.008 0.000) 6.146 2.175 ( 4.999 6.087 0.000) 7.876 2.183 ( -14.010 9.365 0.000) 16.852 2.261 ( 4.199 19.976 0.000) 20.413 2.263 ( 2.588 7.548 0.000) 7.979 2.272 ( 3.061 21.114 0.000) 21.335 2.334 ( 7.144 33.243 0.000) 34.002 2.625 ( 2.384 6.190 0.000) 6.633 2.666 ( -2.616 14.103 0.000) 14.343 2.698 ( 1.709 28.842 0.000) 28.893 2.716 ( 3.548 16.579 0.000) 16.954 2.791 ( -3.639 14.774 0.000) 15.216 2.802 ( -2.244 9.087 0.000) 9.360 2.834 ( 14.009 3.363 0.000) 14.407 2.972 ( -1.115 10.836 0.000) 10.894 3.168 ( -0.688 21.004 0.000) 21.016 3.192 ( 1.823 2.859 0.000) 3.391 3.215 ( 7.799 16.885 0.000) 18.599 3.436 ( -5.466 17.396 0.000) 18.234 3.651 ( -2.574 27.372 0.000) 27.493 3.713 ( -9.966 22.131 0.000) 24.272 3.882 ( -5.234 4.192 0.000) 6.706 3.952 ( -9.765 0.848 0.000) 9.801 4.057 ( 6.255 12.345 0.000) 13.839 4.065 ( -2.628 13.292 0.000) 13.550 4.565 ( 1.220 5.553 0.000) 5.686 4.633 ( -6.107 -3.824 0.000) 7.205 4.672 ( 2.051 -6.785 0.000) 7.088 4.698 ( 3.121 2.014 0.000) 3.715 4.848 ( -2.272 -3.257 0.000) 3.971 4.936 ( -6.741 -0.657 0.000) 6.773 5.422 ( 5.490 -6.093 0.000) 8.201 5.476 ( 1.756 -0.160 0.000) 1.764 5.510 ( -0.261 2.550 0.000) 2.564 5.775 ( 8.991 -1.926 0.000) 9.196 5.896 ( -12.411 -2.009 0.000) 12.573 6.245 ( -0.397 -6.079 0.000) 6.092 7.122 ( 5.541 -2.720 0.000) 6.173 7.303 ( -1.262 -11.076 0.000) 11.147 7.507 ( 3.808 -1.220 0.000) 3.999 7.530 ( 0.756 -4.965 0.000) 5.022 7.824 ( 4.715 5.008 0.000) 6.878 7.854 ( 1.436 1.523 0.000) 2.093 7.979 ( -1.130 16.818 0.000) 16.856 8.063 ( -3.423 6.132 0.000) 7.023 8.677 ( 0.994 18.526 0.000) 18.553 8.732 ( 6.860 10.970 0.000) 12.938 8.822 ( 9.205 5.202 0.000) 10.573 8.976 ( -1.173 0.433 0.000) 1.250 9.016 ( 0.091 17.051 0.000) 17.051 9.165 ( 1.405 6.610 0.000) 6.757 9.276 ( -0.342 -2.066 0.000) 2.094 9.442 ( -3.999 12.496 0.000) 13.120 9.599 ( 4.678 -10.962 0.000) 11.919 9.621 ( -6.375 -8.383 0.000) 10.532 10.156 ( 1.595 -8.044 0.000) 8.201 10.264 ( 13.089 9.746 0.000) 16.319 10.308 ( -0.347 -4.655 0.000) 4.668 10.399 ( -0.105 4.181 0.000) 4.182 10.724 ( -4.552 6.641 0.000) 8.051 10.909 ( -11.118 -5.287 0.000) 12.311 10.912 ( -4.708 1.714 0.000) 5.010 11.119 ( -0.767 -3.524 0.000) 3.607 11.352 ( 4.244 -3.703 0.000) 5.632 11.423 ( 3.036 1.510 0.000) 3.391 11.459 ( -7.544 1.434 0.000) 7.679 11.843 ( -19.944 5.002 0.000) 20.562 12.050 ( 6.466 4.649 0.000) 7.964 12.155 ( -2.197 4.062 0.000) 4.618 12.602 ( 0.408 -14.642 0.000) 14.648 12.861 ( -8.563 -8.685 0.000) 12.197 13.022 ( 2.903 -16.768 0.000) 17.018 13.089 ( 2.041 -11.056 0.000) 11.243 15.118 ( 0.390 -2.672 0.000) 2.700 15.205 ( -0.097 -3.153 0.000) 3.155 15.286 ( 3.786 -8.215 0.000) 9.045 15.480 ( -0.588 -4.493 0.000) 4.532 16.118 ( -0.215 -13.239 0.000) 13.241 16.186 ( -1.492 -15.371 0.000) 15.443 16.301 ( 0.712 -15.784 0.000) 15.800 16.358 ( 1.138 -14.954 0.000) 14.997 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 19.315 14.249 0.000) 24.002 1.405 ( 13.520 16.562 0.000) 21.380 1.696 ( -15.162 11.927 0.000) 19.291 1.804 ( -21.346 11.505 0.000) 24.249 2.195 ( 4.746 7.440 0.000) 8.825 2.253 ( -0.610 8.323 0.000) 8.345 2.319 ( 3.436 11.818 0.000) 12.307 2.330 ( 2.260 16.967 0.000) 17.117 2.422 ( 9.961 11.587 0.000) 15.280 2.494 ( 7.515 18.517 0.000) 19.983 2.540 ( -5.373 17.854 0.000) 18.645 2.666 ( -2.336 5.086 0.000) 5.596 2.690 ( -6.283 6.362 0.000) 8.942 2.709 ( -3.912 10.205 0.000) 10.929 2.837 ( 5.392 15.790 0.000) 16.685 2.842 ( 13.711 34.263 0.000) 36.905 2.936 ( -2.769 12.307 0.000) 12.614 3.024 ( 2.628 16.351 0.000) 16.561 3.179 ( 0.214 17.517 0.000) 17.519 3.239 ( -10.270 22.228 0.000) 24.486 3.349 ( 14.870 1.187 0.000) 14.917 3.369 ( 6.450 9.116 0.000) 11.167 3.561 ( -7.506 17.979 0.000) 19.483 3.592 ( -1.528 26.784 0.000) 26.828 3.698 ( -9.298 8.618 0.000) 12.678 3.706 ( -14.427 0.478 0.000) 14.434 4.113 ( 5.547 16.858 0.000) 17.747 4.169 ( 2.744 12.943 0.000) 13.230 4.487 ( -4.751 2.001 0.000) 5.156 4.522 ( -4.895 4.016 0.000) 6.332 4.733 ( 2.574 -4.412 0.000) 5.108 4.744 ( 0.961 -1.597 0.000) 1.864 4.812 ( -0.275 -2.991 0.000) 3.004 4.846 ( -3.089 -2.391 0.000) 3.906 5.480 ( 1.636 -3.641 0.000) 3.991 5.498 ( 0.106 -2.227 0.000) 2.229 5.577 ( 5.526 0.708 0.000) 5.572 5.699 ( -7.883 -0.028 0.000) 7.883 5.965 ( 10.462 -3.204 0.000) 10.942 6.152 ( -8.332 -4.417 0.000) 9.430 7.226 ( 4.421 -7.719 0.000) 8.895 7.280 ( -1.540 -9.885 0.000) 10.005 7.575 ( 2.865 -3.862 0.000) 4.809 7.582 ( 2.857 -1.905 0.000) 3.434 7.834 ( -1.701 4.077 0.000) 4.418 7.849 ( -1.951 7.339 0.000) 7.594 7.984 ( 0.907 14.196 0.000) 14.225 8.004 ( -1.781 9.804 0.000) 9.964 8.755 ( 6.796 16.025 0.000) 17.407 8.850 ( 4.199 14.885 0.000) 15.466 8.895 ( -2.469 12.217 0.000) 12.464 8.961 ( -2.474 7.993 0.000) 8.367 9.171 ( 0.942 4.569 0.000) 4.665 9.173 ( 14.185 7.552 0.000) 16.070 9.232 ( -3.645 0.721 0.000) 3.715 9.363 ( -5.117 10.589 0.000) 11.760 9.583 ( 2.344 -7.318 0.000) 7.685 9.642 ( -1.270 -10.035 0.000) 10.115 10.178 ( 1.935 -11.996 0.000) 12.151 10.240 ( -4.338 -10.488 0.000) 11.349 10.467 ( 5.595 10.477 0.000) 11.877 10.485 ( 6.465 4.084 0.000) 7.646 10.647 ( -5.208 -1.767 0.000) 5.499 10.650 ( -12.138 -0.037 0.000) 12.138 10.920 ( 10.938 1.607 0.000) 11.055 11.132 ( -0.643 -4.626 0.000) 4.671 11.316 ( -6.442 2.849 0.000) 7.044 11.339 ( -13.057 6.781 0.000) 14.713 11.438 ( 4.441 -0.823 0.000) 4.516 11.530 ( -7.325 2.415 0.000) 7.713 12.151 ( 3.032 6.872 0.000) 7.511 12.155 ( 1.586 6.412 0.000) 6.605 12.617 ( 1.888 -13.611 0.000) 13.741 12.702 ( -7.086 -11.875 0.000) 13.829 13.074 ( 2.217 -15.486 0.000) 15.644 13.101 ( -0.571 -13.388 0.000) 13.400 15.146 ( 2.347 -1.743 0.000) 2.924 15.190 ( -1.762 -2.059 0.000) 2.710 15.369 ( 4.464 -7.463 0.000) 8.696 15.444 ( -3.116 -6.022 0.000) 6.780 16.124 ( 0.922 -14.579 0.000) 14.608 16.151 ( -1.817 -15.199 0.000) 15.307 16.329 ( 2.010 -14.757 0.000) 14.893 16.362 ( -0.975 -14.486 0.000) 14.518 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.000 20.236 0.000) 20.236 1.561 ( 0.000 19.947 0.000) 19.947 2.081 ( 0.000 6.377 0.000) 6.377 2.123 ( 0.000 2.033 0.000) 2.033 2.310 ( 0.000 6.734 0.000) 6.734 2.370 ( 0.000 6.214 0.000) 6.214 2.426 ( 0.000 1.930 0.000) 1.930 2.574 ( 0.000 9.831 0.000) 9.831 2.578 ( 0.000 2.734 0.000) 2.734 2.580 ( 0.000 -0.420 0.000) 0.420 2.724 ( 0.000 17.453 0.000) 17.453 2.943 ( 0.000 17.044 0.000) 17.044 3.028 ( 0.000 14.576 0.000) 14.576 3.041 ( 0.000 7.978 0.000) 7.978 3.099 ( 0.000 16.999 0.000) 16.999 3.164 ( 0.000 15.883 0.000) 15.883 3.202 ( 0.000 13.220 0.000) 13.220 3.261 ( 0.000 11.876 0.000) 11.876 3.397 ( 0.000 14.438 0.000) 14.438 3.404 ( 0.000 36.879 0.000) 36.879 3.604 ( 0.000 18.425 0.000) 18.425 3.842 ( 0.000 11.351 0.000) 11.351 3.972 ( 0.000 6.510 0.000) 6.510 3.993 ( 0.000 -1.180 0.000) 1.180 4.283 ( 0.000 30.764 0.000) 30.764 4.301 ( 0.000 16.798 0.000) 16.798 4.385 ( 0.000 25.620 0.000) 25.620 4.465 ( 0.000 -8.872 0.000) 8.872 4.485 ( 0.000 22.345 0.000) 22.345 4.583 ( 0.000 -5.429 0.000) 5.429 4.707 ( 0.000 9.015 0.000) 9.015 4.805 ( 0.000 -1.019 0.000) 1.019 4.844 ( 0.000 15.645 0.000) 15.645 5.046 ( 0.000 3.545 0.000) 3.545 5.224 ( 0.000 -5.978 0.000) 5.978 5.463 ( 0.000 0.128 0.000) 0.128 5.602 ( 0.000 5.521 0.000) 5.521 5.678 ( 0.000 1.901 0.000) 1.901 6.025 ( 0.000 -6.070 0.000) 6.070 6.064 ( 0.000 -0.942 0.000) 0.942 7.057 ( 0.000 -12.365 0.000) 12.365 7.072 ( 0.000 0.288 0.000) 0.288 7.417 ( 0.000 -3.767 0.000) 3.767 7.430 ( 0.000 -5.272 0.000) 5.272 7.823 ( 0.000 4.688 0.000) 4.688 7.893 ( 0.000 2.974 0.000) 2.974 8.171 ( 0.000 1.446 0.000) 1.446 8.242 ( 0.000 7.772 0.000) 7.772 8.679 ( 0.000 -0.023 0.000) 0.023 8.779 ( 0.000 -13.261 0.000) 13.261 8.787 ( 0.000 -3.171 0.000) 3.171 9.023 ( 0.000 7.437 0.000) 7.437 9.221 ( 0.000 1.929 0.000) 1.929 9.253 ( 0.000 0.526 0.000) 0.526 9.309 ( 0.000 -6.995 0.000) 6.995 9.407 ( 0.000 -4.408 0.000) 4.408 9.466 ( 0.000 13.146 0.000) 13.146 9.770 ( 0.000 12.719 0.000) 12.719 10.191 ( 0.000 5.985 0.000) 5.985 10.362 ( 0.000 -0.376 0.000) 0.376 10.454 ( 0.000 4.299 0.000) 4.299 10.460 ( 0.000 21.445 0.000) 21.445 10.861 ( 0.000 -8.680 0.000) 8.680 10.887 ( 0.000 1.329 0.000) 1.329 11.072 ( 0.000 7.070 0.000) 7.070 11.225 ( 0.000 -1.580 0.000) 1.580 11.227 ( 0.000 13.788 0.000) 13.788 11.387 ( 0.000 -0.184 0.000) 0.184 11.558 ( 0.000 -0.300 0.000) 0.300 11.923 ( 0.000 -8.890 0.000) 8.890 12.095 ( 0.000 -4.062 0.000) 4.062 12.203 ( 0.000 -18.489 0.000) 18.489 12.237 ( 0.000 1.182 0.000) 1.182 12.660 ( 0.000 -12.864 0.000) 12.864 12.774 ( 0.000 -15.089 0.000) 15.089 12.794 ( 0.000 -10.875 0.000) 10.875 14.997 ( 0.000 -7.450 0.000) 7.450 15.082 ( 0.000 -7.235 0.000) 7.235 15.140 ( 0.000 -2.292 0.000) 2.292 15.403 ( 0.000 -4.446 0.000) 4.446 15.856 ( 0.000 -13.648 0.000) 13.648 15.857 ( 0.000 -17.981 0.000) 17.981 15.953 ( 0.000 -16.565 0.000) 16.565 15.998 ( 0.000 -17.683 0.000) 17.683 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 4.659 19.544 0.000) 20.092 1.607 ( 4.647 18.551 0.000) 19.124 2.084 ( -2.464 6.539 0.000) 6.988 2.163 ( 4.302 1.883 0.000) 4.696 2.280 ( -2.963 3.653 0.000) 4.704 2.338 ( -13.348 5.637 0.000) 14.490 2.385 ( 6.631 7.977 0.000) 10.373 2.539 ( 6.096 6.996 0.000) 9.279 2.587 ( 0.492 10.332 0.000) 10.343 2.678 ( 2.066 3.014 0.000) 3.654 2.778 ( 1.952 6.699 0.000) 6.978 2.918 ( -5.042 6.462 0.000) 8.196 3.018 ( -5.962 18.488 0.000) 19.425 3.024 ( 6.725 10.827 0.000) 12.746 3.090 ( 2.912 9.109 0.000) 9.563 3.092 ( -2.521 21.114 0.000) 21.264 3.209 ( -2.637 17.467 0.000) 17.665 3.264 ( 3.430 10.184 0.000) 10.746 3.455 ( 4.995 34.025 0.000) 34.389 3.556 ( 8.611 13.358 0.000) 15.893 3.570 ( -3.105 19.011 0.000) 19.263 3.800 ( -3.094 13.771 0.000) 14.114 3.894 ( -8.814 1.447 0.000) 8.932 3.900 ( -6.481 4.468 0.000) 7.872 4.230 ( -3.914 26.408 0.000) 26.697 4.308 ( -7.400 26.904 0.000) 27.903 4.358 ( 4.836 16.301 0.000) 17.003 4.460 ( 0.826 8.857 0.000) 8.896 4.565 ( 4.657 8.776 0.000) 9.935 4.572 ( -1.011 -2.186 0.000) 2.409 4.749 ( 3.932 11.622 0.000) 12.269 4.777 ( -2.696 -1.234 0.000) 2.964 4.838 ( -0.708 12.241 0.000) 12.262 4.984 ( -4.967 8.086 0.000) 9.490 5.278 ( 4.393 -7.440 0.000) 8.640 5.456 ( -0.801 -1.317 0.000) 1.541 5.602 ( 0.957 6.367 0.000) 6.438 5.753 ( 6.628 -0.226 0.000) 6.632 5.873 ( -8.914 -0.218 0.000) 8.917 6.127 ( 0.136 -5.179 0.000) 5.181 7.064 ( 0.707 -11.355 0.000) 11.377 7.078 ( 0.477 -1.912 0.000) 1.971 7.428 ( 0.999 -4.843 0.000) 4.945 7.456 ( 3.537 -4.107 0.000) 5.420 7.878 ( -1.560 0.714 0.000) 1.716 7.923 ( 7.763 4.961 0.000) 9.213 8.132 ( -3.919 1.137 0.000) 4.081 8.235 ( -0.611 9.088 0.000) 9.109 8.785 ( 2.951 -9.244 0.000) 9.704 8.829 ( 13.212 -0.611 0.000) 13.226 8.851 ( 7.335 -1.785 0.000) 7.549 9.031 ( 0.943 6.203 0.000) 6.275 9.230 ( -1.750 1.615 0.000) 2.381 9.297 ( 2.370 6.379 0.000) 6.805 9.352 ( 6.607 -10.569 0.000) 12.464 9.378 ( -6.076 -5.868 0.000) 8.447 9.491 ( 5.566 15.645 0.000) 16.606 9.737 ( -3.401 14.456 0.000) 14.850 10.118 ( -6.439 2.941 0.000) 7.079 10.180 ( -11.256 -6.698 0.000) 13.098 10.530 ( 1.279 4.226 0.000) 4.416 10.576 ( 10.297 18.334 0.000) 21.028 10.779 ( -10.043 -0.938 0.000) 10.087 10.788 ( -6.055 -4.981 0.000) 7.840 10.977 ( -5.825 4.740 0.000) 7.510 11.231 ( 0.293 14.074 0.000) 14.077 11.325 ( 7.027 1.465 0.000) 7.178 11.443 ( 4.010 -0.230 0.000) 4.017 11.525 ( -2.888 4.625 0.000) 5.452 11.917 ( -17.499 1.955 0.000) 17.608 12.010 ( 7.651 -10.254 0.000) 12.794 12.124 ( 0.872 -12.226 0.000) 12.257 12.321 ( 1.151 -7.772 0.000) 7.856 12.641 ( -9.890 -12.125 0.000) 15.647 12.684 ( 2.282 -14.289 0.000) 14.470 12.824 ( -0.330 -14.363 0.000) 14.366 15.023 ( 2.527 -6.269 0.000) 6.759 15.118 ( 3.424 -7.939 0.000) 8.646 15.152 ( 0.917 -1.828 0.000) 2.045 15.381 ( -2.279 -5.069 0.000) 5.557 15.824 ( -2.171 -15.251 0.000) 15.404 15.842 ( -1.448 -17.932 0.000) 17.991 15.970 ( 1.806 -16.068 0.000) 16.169 16.032 ( 2.234 -16.469 0.000) 16.619 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 11.162 14.788 0.000) 18.528 1.727 ( 7.188 14.549 0.000) 16.228 1.945 ( -8.562 11.954 0.000) 14.704 2.027 ( -16.359 10.452 0.000) 19.413 2.281 ( 6.002 2.980 0.000) 6.701 2.319 ( 2.835 1.907 0.000) 3.416 2.509 ( 3.069 4.530 0.000) 5.471 2.557 ( -3.539 3.759 0.000) 5.162 2.623 ( 5.958 11.007 0.000) 12.516 2.725 ( 0.531 4.880 0.000) 4.909 2.800 ( 2.021 7.389 0.000) 7.661 2.878 ( -4.877 11.339 0.000) 12.344 2.911 ( 0.193 14.571 0.000) 14.572 2.981 ( -4.747 15.960 0.000) 16.651 3.146 ( 1.769 8.008 0.000) 8.201 3.175 ( 0.965 14.018 0.000) 14.051 3.235 ( 8.137 14.302 0.000) 16.455 3.374 ( 8.428 4.769 0.000) 9.683 3.451 ( -7.662 7.428 0.000) 10.671 3.574 ( -6.146 5.954 0.000) 8.557 3.575 ( 5.008 24.773 0.000) 25.274 3.697 ( -8.435 16.214 0.000) 18.277 3.793 ( 1.944 21.403 0.000) 21.491 3.854 ( 0.623 17.194 0.000) 17.205 4.145 ( -6.311 26.783 0.000) 27.516 4.150 ( -4.148 23.055 0.000) 23.425 4.464 ( 5.114 7.616 0.000) 9.174 4.486 ( 1.485 3.989 0.000) 4.256 4.552 ( -0.425 11.037 0.000) 11.046 4.597 ( -2.465 19.256 0.000) 19.414 4.746 ( 1.297 -2.863 0.000) 3.143 4.804 ( -3.146 5.303 0.000) 6.165 4.831 ( 3.974 14.107 0.000) 14.656 4.898 ( -3.615 13.254 0.000) 13.739 5.363 ( 4.091 -6.876 0.000) 8.001 5.426 ( -2.439 -4.329 0.000) 4.969 5.644 ( 3.301 5.262 0.000) 6.212 5.729 ( -5.887 3.012 0.000) 6.613 5.904 ( 8.628 -2.824 0.000) 9.078 6.058 ( -6.700 -4.763 0.000) 8.220 7.079 ( 0.708 -9.262 0.000) 9.289 7.085 ( 0.126 -6.082 0.000) 6.083 7.478 ( 3.473 -5.261 0.000) 6.304 7.512 ( 1.009 -5.065 0.000) 5.164 7.863 ( 1.447 0.740 0.000) 1.625 7.948 ( -5.784 3.386 0.000) 6.703 8.137 ( 5.198 4.021 0.000) 6.572 8.213 ( -2.246 8.162 0.000) 8.465 8.915 ( 9.358 -4.080 0.000) 10.209 8.986 ( 6.661 0.375 0.000) 6.671 9.057 ( 1.163 4.723 0.000) 4.864 9.065 ( 1.464 -0.530 0.000) 1.557 9.215 ( -1.339 -4.431 0.000) 4.629 9.266 ( -5.030 1.438 0.000) 5.231 9.311 ( 8.046 6.701 0.000) 10.471 9.457 ( 0.278 -1.917 0.000) 1.937 9.609 ( 4.944 13.172 0.000) 14.069 9.665 ( -3.078 16.174 0.000) 16.465 9.995 ( -4.533 -6.184 0.000) 7.667 10.011 ( -5.816 -11.357 0.000) 12.760 10.490 ( -2.071 -6.960 0.000) 7.262 10.568 ( -9.621 -5.912 0.000) 11.292 10.721 ( -0.277 8.588 0.000) 8.592 10.731 ( 1.500 13.630 0.000) 13.712 10.986 ( 10.184 5.999 0.000) 11.819 11.199 ( -6.232 9.756 0.000) 11.576 11.442 ( 3.240 4.478 0.000) 5.527 11.467 ( -1.952 5.381 0.000) 5.724 11.480 ( 0.786 8.598 0.000) 8.634 11.601 ( -11.632 4.884 0.000) 12.616 12.164 ( 7.548 -9.395 0.000) 12.051 12.210 ( 7.465 -5.960 0.000) 9.553 12.291 ( -3.205 -14.333 0.000) 14.687 12.426 ( -11.872 -12.634 0.000) 17.337 12.736 ( 2.924 -15.683 0.000) 15.953 12.791 ( -2.673 -15.594 0.000) 15.822 15.084 ( 3.467 -4.391 0.000) 5.595 15.137 ( -1.694 -3.860 0.000) 4.215 15.216 ( 5.405 -6.237 0.000) 8.253 15.315 ( -4.563 -6.059 0.000) 7.585 15.799 ( -0.289 -16.952 0.000) 16.954 15.812 ( -1.407 -17.712 0.000) 17.768 16.016 ( 2.635 -15.355 0.000) 15.580 16.051 ( -0.568 -15.475 0.000) 15.486 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 14.623 0.000) 14.623 1.903 ( 0.000 13.834 0.000) 13.834 2.164 ( 0.000 2.302 0.000) 2.302 2.206 ( 0.000 5.544 0.000) 5.544 2.382 ( 0.000 1.468 0.000) 1.468 2.411 ( 0.000 -2.005 0.000) 2.005 2.553 ( 0.000 11.005 0.000) 11.005 2.571 ( 0.000 -0.001 0.000) 0.001 2.610 ( 0.000 0.303 0.000) 0.303 2.781 ( 0.000 10.762 0.000) 10.762 3.038 ( 0.000 0.223 0.000) 0.223 3.058 ( 0.000 15.681 0.000) 15.681 3.135 ( 0.000 2.322 0.000) 2.322 3.172 ( 0.000 2.983 0.000) 2.983 3.394 ( 0.000 6.002 0.000) 6.002 3.456 ( 0.000 12.035 0.000) 12.035 3.507 ( 0.000 14.536 0.000) 14.536 3.582 ( 0.000 18.675 0.000) 18.675 3.633 ( 0.000 6.966 0.000) 6.966 3.783 ( 0.000 6.952 0.000) 6.952 3.936 ( 0.000 4.522 0.000) 4.522 3.965 ( 0.000 -0.603 0.000) 0.603 4.159 ( 0.000 7.635 0.000) 7.635 4.166 ( 0.000 6.899 0.000) 6.899 4.355 ( 0.000 17.956 0.000) 17.956 4.458 ( 0.000 -3.225 0.000) 3.225 4.573 ( 0.000 -5.612 0.000) 5.612 4.643 ( 0.000 10.327 0.000) 10.327 4.861 ( 0.000 3.485 0.000) 3.485 4.886 ( 0.000 22.742 0.000) 22.742 4.899 ( 0.000 27.652 0.000) 27.652 5.042 ( 0.000 0.574 0.000) 0.574 5.121 ( 0.000 24.882 0.000) 24.882 5.244 ( 0.000 15.423 0.000) 15.423 5.331 ( 0.000 20.841 0.000) 20.841 5.532 ( 0.000 8.917 0.000) 8.917 5.728 ( 0.000 2.990 0.000) 2.990 5.759 ( 0.000 9.858 0.000) 9.858 5.939 ( 0.000 -2.687 0.000) 2.687 6.052 ( 0.000 -0.373 0.000) 0.373 6.870 ( 0.000 -5.350 0.000) 5.350 7.056 ( 0.000 -2.192 0.000) 2.192 7.313 ( 0.000 -6.181 0.000) 6.181 7.330 ( 0.000 -4.880 0.000) 4.880 7.919 ( 0.000 4.376 0.000) 4.376 7.920 ( 0.000 0.030 0.000) 0.030 8.167 ( 0.000 -1.440 0.000) 1.440 8.340 ( 0.000 2.256 0.000) 2.256 8.541 ( 0.000 -7.194 0.000) 7.194 8.673 ( 0.000 0.028 0.000) 0.028 8.748 ( 0.000 0.789 0.000) 0.789 9.040 ( 0.000 -11.029 0.000) 11.029 9.048 ( 0.000 -4.165 0.000) 4.165 9.218 ( 0.000 -7.114 0.000) 7.114 9.253 ( 0.000 -0.176 0.000) 0.176 9.413 ( 0.000 8.635 0.000) 8.635 9.845 ( 0.000 16.069 0.000) 16.069 10.045 ( 0.000 14.505 0.000) 14.505 10.241 ( 0.000 -11.794 0.000) 11.794 10.323 ( 0.000 5.564 0.000) 5.564 10.515 ( 0.000 1.111 0.000) 1.111 10.679 ( 0.000 -9.033 0.000) 9.033 10.787 ( 0.000 -1.459 0.000) 1.459 10.901 ( 0.000 10.356 0.000) 10.356 11.187 ( 0.000 -4.556 0.000) 4.556 11.250 ( 0.000 10.214 0.000) 10.214 11.340 ( 0.000 -4.598 0.000) 4.598 11.517 ( 0.000 -3.403 0.000) 3.403 11.549 ( 0.000 -0.219 0.000) 0.219 11.668 ( 0.000 -11.855 0.000) 11.855 11.766 ( 0.000 -1.990 0.000) 1.990 12.131 ( 0.000 0.493 0.000) 0.493 12.201 ( 0.000 -3.153 0.000) 3.153 12.390 ( 0.000 -22.198 0.000) 22.198 12.523 ( 0.000 -2.179 0.000) 2.179 12.591 ( 0.000 -10.244 0.000) 10.244 14.853 ( 0.000 -6.000 0.000) 6.000 14.963 ( 0.000 -4.508 0.000) 4.508 15.126 ( 0.000 1.062 0.000) 1.062 15.305 ( 0.000 -5.178 0.000) 5.178 15.503 ( 0.000 -16.483 0.000) 16.483 15.597 ( 0.000 -11.524 0.000) 11.524 15.662 ( 0.000 -14.881 0.000) 14.881 15.665 ( 0.000 -11.366 0.000) 11.366 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 3.447 14.625 0.000) 15.026 1.927 ( 2.328 13.058 0.000) 13.264 2.194 ( 3.124 1.537 0.000) 3.482 2.207 ( -0.759 5.392 0.000) 5.445 2.333 ( -2.487 1.929 0.000) 3.147 2.394 ( -4.416 0.151 0.000) 4.418 2.549 ( 1.655 7.230 0.000) 7.417 2.621 ( 2.521 1.236 0.000) 2.808 2.681 ( 7.278 1.584 0.000) 7.448 2.779 ( -0.720 7.991 0.000) 8.023 2.941 ( -4.617 9.060 0.000) 10.168 3.025 ( -3.593 4.434 0.000) 5.707 3.166 ( 5.423 6.508 0.000) 8.471 3.193 ( 0.010 3.123 0.000) 3.123 3.341 ( -7.705 11.421 0.000) 13.776 3.450 ( -0.355 10.283 0.000) 10.289 3.529 ( 1.679 10.234 0.000) 10.371 3.538 ( -4.790 15.212 0.000) 15.949 3.706 ( 5.221 3.272 0.000) 6.162 3.742 ( -4.043 8.208 0.000) 9.150 3.881 ( -5.019 4.828 0.000) 6.964 3.927 ( 0.893 6.085 0.000) 6.150 4.087 ( -6.774 8.963 0.000) 11.235 4.205 ( 2.211 1.357 0.000) 2.594 4.382 ( 2.937 21.670 0.000) 21.868 4.499 ( 2.294 -5.219 0.000) 5.701 4.589 ( 0.769 -3.291 0.000) 3.379 4.667 ( 2.812 11.523 0.000) 11.861 4.807 ( -1.433 13.861 0.000) 13.935 4.835 ( -5.175 23.679 0.000) 24.238 4.998 ( 5.972 14.373 0.000) 15.564 5.059 ( 1.705 1.948 0.000) 2.589 5.120 ( -0.018 25.541 0.000) 25.541 5.233 ( -0.700 16.268 0.000) 16.283 5.346 ( 1.087 20.793 0.000) 20.821 5.509 ( -2.261 9.523 0.000) 9.788 5.747 ( 1.426 4.690 0.000) 4.902 5.778 ( 2.574 6.003 0.000) 6.531 5.881 ( -4.386 0.798 0.000) 4.458 6.048 ( -1.662 -2.510 0.000) 3.010 6.887 ( 1.725 -5.387 0.000) 5.656 7.031 ( -2.351 -2.990 0.000) 3.804 7.337 ( 1.123 -4.343 0.000) 4.485 7.344 ( 2.766 -6.586 0.000) 7.143 7.891 ( -1.708 1.150 0.000) 2.059 8.010 ( 8.453 3.128 0.000) 9.013 8.146 ( -3.943 1.307 0.000) 4.154 8.365 ( 0.987 3.713 0.000) 3.842 8.565 ( 5.039 -9.446 0.000) 10.706 8.773 ( 7.274 -2.742 0.000) 7.773 8.811 ( 8.243 -1.851 0.000) 8.448 9.068 ( 2.468 -2.110 0.000) 3.247 9.133 ( 6.452 -10.364 0.000) 12.208 9.164 ( -2.907 -5.373 0.000) 6.109 9.315 ( 4.488 1.106 0.000) 4.623 9.450 ( 4.035 7.614 0.000) 8.618 9.847 ( 0.497 14.157 0.000) 14.166 10.023 ( -15.194 -8.561 0.000) 17.440 10.040 ( -0.665 14.788 0.000) 14.803 10.179 ( -12.612 2.125 0.000) 12.789 10.453 ( -10.088 -9.657 0.000) 13.965 10.719 ( -11.996 -3.804 0.000) 12.585 10.776 ( 8.296 1.242 0.000) 8.388 10.915 ( 6.445 12.402 0.000) 13.977 11.076 ( -5.517 3.528 0.000) 6.548 11.379 ( 4.326 -6.578 0.000) 7.873 11.402 ( 8.983 5.457 0.000) 10.510 11.507 ( -2.329 -1.670 0.000) 2.866 11.620 ( 5.752 2.819 0.000) 6.406 11.687 ( 2.667 -15.536 0.000) 15.764 11.768 ( -0.104 -2.116 0.000) 2.119 12.011 ( -8.477 2.668 0.000) 8.887 12.187 ( -3.379 -6.487 0.000) 7.314 12.313 ( -7.506 -20.836 0.000) 22.147 12.524 ( 0.176 -3.036 0.000) 3.041 12.581 ( -0.991 -9.860 0.000) 9.909 14.896 ( 4.139 -5.424 0.000) 6.823 14.981 ( 1.916 -5.448 0.000) 5.775 15.141 ( 0.986 0.799 0.000) 1.270 15.276 ( -2.716 -5.496 0.000) 6.130 15.492 ( -1.099 -16.137 0.000) 16.174 15.533 ( -4.002 -12.746 0.000) 13.360 15.687 ( 2.285 -11.321 0.000) 11.549 15.726 ( 3.697 -13.339 0.000) 13.841 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 4.593 12.116 0.000) 12.957 1.981 ( 2.687 10.701 0.000) 11.033 2.153 ( -2.840 8.296 0.000) 8.769 2.198 ( -5.856 5.761 0.000) 8.215 2.337 ( 2.816 2.614 0.000) 3.843 2.351 ( 2.479 1.322 0.000) 2.809 2.559 ( -1.221 1.141 0.000) 1.671 2.582 ( -4.471 0.037 0.000) 4.471 2.828 ( 7.863 5.717 0.000) 9.722 2.862 ( 5.709 8.765 0.000) 10.461 2.908 ( 1.735 8.560 0.000) 8.734 2.997 ( -3.294 2.448 0.000) 4.104 3.153 ( -1.948 7.152 0.000) 7.413 3.203 ( -2.245 6.143 0.000) 6.540 3.246 ( 0.917 5.264 0.000) 5.344 3.362 ( -9.612 2.592 0.000) 9.955 3.517 ( 4.556 8.124 0.000) 9.314 3.545 ( 1.033 9.219 0.000) 9.277 3.654 ( -3.407 15.380 0.000) 15.753 3.694 ( -5.292 10.474 0.000) 11.735 3.861 ( 2.610 10.657 0.000) 10.972 3.953 ( -6.432 11.216 0.000) 12.929 4.046 ( 9.196 0.806 0.000) 9.231 4.187 ( -4.511 -2.241 0.000) 5.037 4.459 ( 4.278 15.967 0.000) 16.530 4.510 ( -0.970 -1.475 0.000) 1.765 4.601 ( 1.791 8.361 0.000) 8.551 4.683 ( -5.137 18.020 0.000) 18.738 4.766 ( 2.028 16.516 0.000) 16.640 4.801 ( -0.484 12.000 0.000) 12.010 5.088 ( 2.375 8.566 0.000) 8.889 5.092 ( 1.193 6.672 0.000) 6.778 5.135 ( 2.482 25.754 0.000) 25.874 5.200 ( -3.080 18.850 0.000) 19.100 5.383 ( 3.014 17.200 0.000) 17.462 5.451 ( -3.660 12.063 0.000) 12.606 5.771 ( 1.371 6.564 0.000) 6.706 5.809 ( -2.837 4.500 0.000) 5.320 5.863 ( 5.779 -0.209 0.000) 5.783 5.976 ( -5.440 -2.641 0.000) 6.047 6.929 ( 2.496 -5.227 0.000) 5.793 6.980 ( -2.762 -4.364 0.000) 5.165 7.372 ( 1.988 -5.288 0.000) 5.650 7.387 ( 0.919 -6.871 0.000) 6.932 7.901 ( 3.403 3.481 0.000) 4.868 8.015 ( -7.652 4.044 0.000) 8.654 8.194 ( 9.189 1.946 0.000) 9.393 8.332 ( -4.671 3.957 0.000) 6.122 8.729 ( 9.964 -10.621 0.000) 14.563 8.862 ( -1.375 -9.635 0.000) 9.733 8.990 ( 9.692 -5.083 0.000) 10.944 9.115 ( 0.790 0.451 0.000) 0.910 9.149 ( 1.124 -1.676 0.000) 2.018 9.178 ( -2.811 -7.044 0.000) 7.584 9.451 ( 10.228 6.942 0.000) 12.361 9.542 ( 3.437 5.251 0.000) 6.276 9.803 ( -6.521 -6.730 0.000) 9.371 9.828 ( -5.557 -4.453 0.000) 7.121 9.978 ( -3.114 13.090 0.000) 13.455 10.011 ( -2.858 16.123 0.000) 16.375 10.276 ( -2.508 -12.814 0.000) 13.057 10.432 ( -15.133 -6.575 0.000) 16.500 10.896 ( 4.342 7.314 0.000) 8.506 10.968 ( -3.502 9.316 0.000) 9.953 11.119 ( 11.607 3.898 0.000) 12.244 11.357 ( -11.197 -0.131 0.000) 11.198 11.501 ( 4.704 -4.203 0.000) 6.308 11.526 ( 2.986 4.091 0.000) 5.065 11.688 ( 2.391 8.475 0.000) 8.806 11.740 ( -2.781 7.746 0.000) 8.230 11.815 ( 8.747 -17.647 0.000) 19.696 11.919 ( -1.450 -9.206 0.000) 9.320 12.089 ( -4.559 -10.580 0.000) 11.520 12.143 ( -8.694 -17.368 0.000) 19.423 12.534 ( 0.900 -5.244 0.000) 5.321 12.557 ( -1.392 -7.887 0.000) 8.009 14.984 ( 4.195 -4.815 0.000) 6.386 15.020 ( 0.969 -6.135 0.000) 6.211 15.156 ( 1.324 -0.919 0.000) 1.611 15.211 ( -3.775 -4.489 0.000) 5.866 15.469 ( -0.868 -15.356 0.000) 15.381 15.475 ( -1.714 -14.133 0.000) 14.236 15.740 ( 2.678 -11.441 0.000) 11.750 15.767 ( 0.309 -12.179 0.000) 12.183 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 0.000 10.563 0.000) 10.563 2.107 ( 0.000 6.119 0.000) 6.119 2.238 ( 0.000 5.624 0.000) 5.624 2.290 ( 0.000 2.700 0.000) 2.700 2.363 ( 0.000 -2.625 0.000) 2.625 2.391 ( 0.000 -0.319 0.000) 0.319 2.581 ( 0.000 0.619 0.000) 0.619 2.597 ( 0.000 -1.475 0.000) 1.475 2.787 ( 0.000 11.616 0.000) 11.616 2.997 ( 0.000 9.832 0.000) 9.832 3.048 ( 0.000 1.325 0.000) 1.325 3.171 ( 0.000 2.306 0.000) 2.306 3.195 ( 0.000 -0.322 0.000) 0.322 3.349 ( 0.000 12.487 0.000) 12.487 3.436 ( 0.000 0.247 0.000) 0.247 3.615 ( 0.000 3.931 0.000) 3.931 3.700 ( 0.000 1.170 0.000) 1.170 3.717 ( 0.000 4.655 0.000) 4.655 3.762 ( 0.000 -0.001 0.000) 0.001 3.965 ( 0.000 -4.015 0.000) 4.015 3.967 ( 0.000 -1.834 0.000) 1.834 3.994 ( 0.000 3.390 0.000) 3.390 4.012 ( 0.000 6.374 0.000) 6.374 4.329 ( 0.000 9.977 0.000) 9.977 4.421 ( 0.000 -0.559 0.000) 0.559 4.456 ( 0.000 -4.327 0.000) 4.327 4.631 ( 0.000 -7.282 0.000) 7.282 4.689 ( 0.000 -3.890 0.000) 3.890 5.075 ( 0.000 24.556 0.000) 24.556 5.196 ( 0.000 10.907 0.000) 10.907 5.259 ( 0.000 13.068 0.000) 13.068 5.388 ( 0.000 19.952 0.000) 19.952 5.576 ( 0.000 18.761 0.000) 18.761 5.579 ( 0.000 16.040 0.000) 16.040 5.744 ( 0.000 14.714 0.000) 14.714 5.790 ( 0.000 13.322 0.000) 13.322 5.829 ( 0.000 10.495 0.000) 10.495 5.910 ( 0.000 0.335 0.000) 0.335 5.986 ( 0.000 11.855 0.000) 11.855 6.047 ( 0.000 0.049 0.000) 0.049 6.849 ( 0.000 2.922 0.000) 2.922 6.990 ( 0.000 -3.538 0.000) 3.538 7.198 ( 0.000 -4.351 0.000) 4.351 7.221 ( 0.000 -6.157 0.000) 6.157 7.925 ( 0.000 0.991 0.000) 0.991 7.997 ( 0.000 3.434 0.000) 3.434 8.131 ( 0.000 -1.873 0.000) 1.873 8.330 ( 0.000 -3.515 0.000) 3.515 8.518 ( 0.000 3.873 0.000) 3.873 8.704 ( 0.000 3.770 0.000) 3.770 8.814 ( 0.000 5.208 0.000) 5.208 8.852 ( 0.000 -6.947 0.000) 6.947 8.929 ( 0.000 -5.714 0.000) 5.714 9.124 ( 0.000 -2.429 0.000) 2.429 9.288 ( 0.000 4.563 0.000) 4.563 9.596 ( 0.000 9.039 0.000) 9.039 9.912 ( 0.000 -19.301 0.000) 19.301 10.050 ( 0.000 2.387 0.000) 2.387 10.339 ( 0.000 14.070 0.000) 14.070 10.433 ( 0.000 7.455 0.000) 7.455 10.488 ( 0.000 -3.619 0.000) 3.619 10.492 ( 0.000 -24.389 0.000) 24.389 10.509 ( 0.000 -7.477 0.000) 7.477 10.953 ( 0.000 -7.833 0.000) 7.833 11.073 ( 0.000 -25.633 0.000) 25.633 11.202 ( 0.000 8.099 0.000) 8.099 11.216 ( 0.000 -7.222 0.000) 7.222 11.455 ( 0.000 8.678 0.000) 8.678 11.561 ( 0.000 1.455 0.000) 1.455 11.566 ( 0.000 -0.119 0.000) 0.119 11.926 ( 0.000 -21.812 0.000) 21.812 12.031 ( 0.000 12.542 0.000) 12.542 12.161 ( 0.000 2.882 0.000) 2.882 12.174 ( 0.000 0.671 0.000) 0.671 12.361 ( 0.000 -12.313 0.000) 12.313 12.481 ( 0.000 -3.051 0.000) 3.051 14.783 ( 0.000 -0.592 0.000) 0.592 14.896 ( 0.000 -2.267 0.000) 2.267 15.174 ( 0.000 1.843 0.000) 1.843 15.193 ( 0.000 -5.910 0.000) 5.910 15.214 ( 0.000 -10.203 0.000) 10.203 15.406 ( 0.000 -7.237 0.000) 7.237 15.421 ( 0.000 -8.689 0.000) 8.689 15.499 ( 0.000 -5.446 0.000) 5.446 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 1.858 6.452 0.000) 6.714 2.127 ( 2.886 10.144 0.000) 10.547 2.245 ( 0.955 4.074 0.000) 4.185 2.290 ( -0.412 2.700 0.000) 2.731 2.364 ( -1.246 1.134 0.000) 1.685 2.371 ( 0.166 -1.840 0.000) 1.848 2.608 ( 0.319 -1.912 0.000) 1.939 2.614 ( 0.554 -0.737 0.000) 0.922 2.764 ( 0.643 7.027 0.000) 7.057 2.963 ( -0.791 8.639 0.000) 8.675 3.102 ( 4.173 6.298 0.000) 7.555 3.108 ( -3.592 4.016 0.000) 5.388 3.250 ( 3.206 3.188 0.000) 4.522 3.321 ( -2.607 8.347 0.000) 8.745 3.455 ( -5.177 0.846 0.000) 5.246 3.557 ( -6.234 1.561 0.000) 6.426 3.586 ( -0.984 -2.167 0.000) 2.380 3.707 ( -4.794 3.735 0.000) 6.078 3.770 ( 3.210 3.984 0.000) 5.116 3.953 ( 2.284 5.690 0.000) 6.132 3.990 ( -1.724 4.344 0.000) 4.674 4.060 ( 5.951 3.415 0.000) 6.862 4.071 ( 3.761 -0.095 0.000) 3.762 4.278 ( -4.629 10.045 0.000) 11.060 4.401 ( -1.962 -2.460 0.000) 3.147 4.447 ( -1.172 -5.478 0.000) 5.602 4.655 ( 2.342 -9.041 0.000) 9.339 4.710 ( 1.773 -5.796 0.000) 6.061 5.079 ( 0.654 23.724 0.000) 23.733 5.190 ( -1.051 11.478 0.000) 11.526 5.251 ( 0.100 14.218 0.000) 14.218 5.381 ( -1.098 18.015 0.000) 18.048 5.587 ( 1.210 19.510 0.000) 19.548 5.606 ( 2.312 16.851 0.000) 17.009 5.760 ( 1.444 14.775 0.000) 14.846 5.792 ( 0.149 14.294 0.000) 14.295 5.833 ( 0.500 10.118 0.000) 10.131 5.903 ( -0.595 2.169 0.000) 2.249 5.979 ( -0.571 10.987 0.000) 11.002 6.031 ( -1.659 0.954 0.000) 1.914 6.855 ( 0.581 1.830 0.000) 1.920 6.965 ( -2.380 -2.972 0.000) 3.808 7.218 ( 1.795 -5.215 0.000) 5.515 7.236 ( 1.356 -5.979 0.000) 6.131 7.937 ( 1.736 3.360 0.000) 3.782 8.054 ( 6.045 1.814 0.000) 6.312 8.190 ( 3.112 2.023 0.000) 3.712 8.382 ( 4.052 -1.808 0.000) 4.437 8.462 ( -1.531 -0.113 0.000) 1.535 8.752 ( 2.976 -0.431 0.000) 3.007 8.790 ( -1.630 1.544 0.000) 2.245 8.930 ( 5.241 -8.760 0.000) 10.208 9.001 ( 6.912 -3.833 0.000) 7.903 9.101 ( -0.040 -0.754 0.000) 0.755 9.375 ( 7.873 5.027 0.000) 9.341 9.587 ( -2.592 3.548 0.000) 4.394 9.806 ( -5.001 -10.303 0.000) 11.453 9.914 ( -13.553 -8.225 0.000) 15.854 10.267 ( -14.772 -6.494 0.000) 16.136 10.286 ( -4.193 7.993 0.000) 9.026 10.347 ( 0.097 14.611 0.000) 14.611 10.648 ( -2.649 -3.220 0.000) 4.169 10.733 ( 13.738 -6.595 0.000) 15.239 10.832 ( -2.451 -16.909 0.000) 17.086 11.096 ( 1.727 -23.180 0.000) 23.244 11.173 ( -2.462 4.688 0.000) 5.295 11.230 ( 1.239 -9.380 0.000) 9.462 11.470 ( 1.917 1.334 0.000) 2.335 11.575 ( 2.165 5.167 0.000) 5.602 11.698 ( 9.065 0.894 0.000) 9.109 11.884 ( -3.126 -17.461 0.000) 17.739 11.990 ( -4.957 10.662 0.000) 11.758 12.085 ( -6.092 4.092 0.000) 7.338 12.125 ( -5.231 0.787 0.000) 5.290 12.373 ( 1.179 -11.023 0.000) 11.085 12.467 ( -1.369 -3.578 0.000) 3.831 14.828 ( 4.221 -1.057 0.000) 4.351 14.898 ( 0.612 -2.774 0.000) 2.841 15.152 ( -3.247 -6.659 0.000) 7.408 15.161 ( -1.742 -3.160 0.000) 3.608 15.230 ( 1.442 -5.346 0.000) 5.538 15.343 ( -3.427 -5.768 0.000) 6.709 15.505 ( 4.624 -8.578 0.000) 9.745 15.519 ( 1.960 -5.698 0.000) 6.026 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 1.342 7.074 0.000) 7.200 2.170 ( 0.775 8.274 0.000) 8.310 2.273 ( 1.181 2.582 0.000) 2.839 2.278 ( -0.165 4.335 0.000) 4.338 2.373 ( 1.449 0.778 0.000) 1.644 2.374 ( 0.798 0.834 0.000) 1.155 2.564 ( -3.283 -0.741 0.000) 3.365 2.569 ( -3.369 -1.358 0.000) 3.632 2.864 ( 7.997 1.393 0.000) 8.118 2.999 ( -3.069 1.318 0.000) 3.340 3.083 ( 6.308 9.132 0.000) 11.099 3.167 ( 1.611 12.336 0.000) 12.440 3.275 ( -1.298 3.297 0.000) 3.544 3.280 ( 0.157 5.383 0.000) 5.386 3.309 ( -5.597 2.476 0.000) 6.120 3.374 ( -10.892 -0.054 0.000) 10.892 3.622 ( 2.351 -0.120 0.000) 2.354 3.655 ( -1.188 4.976 0.000) 5.116 3.858 ( 4.633 3.340 0.000) 5.712 3.927 ( -3.085 6.678 0.000) 7.356 4.057 ( 6.256 7.759 0.000) 9.967 4.115 ( 0.930 2.714 0.000) 2.868 4.119 ( 0.472 8.548 0.000) 8.561 4.177 ( -5.847 10.391 0.000) 11.923 4.377 ( 0.420 -8.252 0.000) 8.262 4.411 ( -2.356 -7.462 0.000) 7.825 4.707 ( 2.590 -10.509 0.000) 10.823 4.733 ( 0.097 -9.095 0.000) 9.095 5.104 ( 1.961 20.859 0.000) 20.951 5.150 ( -2.636 16.285 0.000) 16.497 5.283 ( 2.821 13.698 0.000) 13.985 5.341 ( -2.892 14.840 0.000) 15.120 5.619 ( 1.757 20.400 0.000) 20.475 5.637 ( 0.300 19.058 0.000) 19.061 5.784 ( 0.833 16.555 0.000) 16.576 5.793 ( -0.118 16.072 0.000) 16.073 5.855 ( 1.845 6.373 0.000) 6.635 5.888 ( -1.200 4.299 0.000) 4.464 5.972 ( 0.123 8.773 0.000) 8.774 5.992 ( -1.958 4.546 0.000) 4.949 6.874 ( 1.559 -0.219 0.000) 1.575 6.914 ( -2.556 -1.826 0.000) 3.142 7.251 ( 1.270 -6.383 0.000) 6.508 7.258 ( 0.556 -6.228 0.000) 6.253 8.007 ( 5.572 6.781 0.000) 8.777 8.129 ( -5.678 6.864 0.000) 8.908 8.226 ( 8.963 2.093 0.000) 9.204 8.386 ( -5.307 2.054 0.000) 5.690 8.562 ( 9.376 -5.387 0.000) 10.813 8.721 ( -5.930 -3.493 0.000) 6.882 8.843 ( 7.591 -9.004 0.000) 11.776 8.984 ( -2.974 -10.010 0.000) 10.442 9.113 ( 4.912 -2.884 0.000) 5.696 9.145 ( 2.384 0.510 0.000) 2.438 9.493 ( -2.285 -7.607 0.000) 7.943 9.553 ( 3.962 -1.144 0.000) 4.124 9.661 ( -3.150 -5.782 0.000) 6.584 9.868 ( -0.085 10.787 0.000) 10.788 9.980 ( -3.957 -12.606 0.000) 13.212 10.218 ( -9.010 5.512 0.000) 10.563 10.344 ( -0.528 14.250 0.000) 14.260 10.385 ( -10.698 5.618 0.000) 12.084 10.961 ( 8.302 -17.167 0.000) 19.069 10.968 ( 9.317 -2.270 0.000) 9.590 11.095 ( -3.075 -20.382 0.000) 20.612 11.107 ( -4.439 2.002 0.000) 4.869 11.287 ( 6.248 -13.738 0.000) 15.092 11.441 ( -7.004 -13.567 0.000) 15.268 11.661 ( 7.922 3.894 0.000) 8.827 11.837 ( -9.637 5.048 0.000) 10.879 11.850 ( 5.926 -0.807 0.000) 5.981 11.886 ( 4.889 1.713 0.000) 5.180 11.969 ( -6.563 2.555 0.000) 7.042 12.004 ( -6.459 4.971 0.000) 8.150 12.401 ( 1.702 -8.188 0.000) 8.363 12.435 ( -1.794 -5.353 0.000) 5.646 14.909 ( 3.111 -2.440 0.000) 3.953 14.921 ( 1.274 -3.535 0.000) 3.757 15.104 ( -1.206 -6.682 0.000) 6.790 15.118 ( -2.255 -5.587 0.000) 6.025 15.252 ( 0.982 -3.253 0.000) 3.398 15.283 ( -2.527 -3.988 0.000) 4.721 15.561 ( 1.806 -6.612 0.000) 6.854 15.567 ( 1.486 -7.781 0.000) 7.921 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( 0.000 3.054 0.000) 3.054 2.283 ( 0.000 7.725 0.000) 7.725 2.307 ( 0.000 -2.866 0.000) 2.866 2.324 ( 0.000 0.974 0.000) 0.974 2.366 ( 0.000 6.117 0.000) 6.117 2.383 ( 0.000 0.221 0.000) 0.221 2.551 ( 0.000 -3.071 0.000) 3.071 2.566 ( 0.000 -2.692 0.000) 2.692 2.998 ( 0.000 8.594 0.000) 8.594 3.093 ( 0.000 2.552 0.000) 2.552 3.112 ( 0.000 1.928 0.000) 1.928 3.172 ( 0.000 -1.634 0.000) 1.634 3.291 ( 0.000 8.930 0.000) 8.930 3.443 ( 0.000 0.763 0.000) 0.763 3.528 ( 0.000 5.085 0.000) 5.085 3.660 ( 0.000 1.326 0.000) 1.326 3.679 ( 0.000 -3.269 0.000) 3.269 3.709 ( 0.000 -4.632 0.000) 4.632 3.711 ( 0.000 -3.905 0.000) 3.905 3.774 ( 0.000 -7.515 0.000) 7.515 3.969 ( 0.000 3.865 0.000) 3.865 4.092 ( 0.000 6.725 0.000) 6.725 4.228 ( 0.000 7.780 0.000) 7.780 4.320 ( 0.000 -9.911 0.000) 9.911 4.416 ( 0.000 -0.296 0.000) 0.296 4.510 ( 0.000 6.858 0.000) 6.858 4.526 ( 0.000 -9.138 0.000) 9.138 4.570 ( 0.000 1.656 0.000) 1.656 5.349 ( 0.000 4.361 0.000) 4.361 5.407 ( 0.000 2.550 0.000) 2.550 5.512 ( 0.000 16.435 0.000) 16.435 5.680 ( 0.000 8.549 0.000) 8.549 5.833 ( 0.000 6.113 0.000) 6.113 5.853 ( 0.000 10.360 0.000) 10.360 5.885 ( 0.000 0.329 0.000) 0.329 5.917 ( 0.000 6.305 0.000) 6.305 6.054 ( 0.000 8.404 0.000) 8.404 6.079 ( 0.000 3.704 0.000) 3.704 6.112 ( 0.000 11.759 0.000) 11.759 6.192 ( 0.000 7.406 0.000) 7.406 6.946 ( 0.000 -0.374 0.000) 0.374 6.955 ( 0.000 6.577 0.000) 6.577 7.088 ( 0.000 -6.485 0.000) 6.485 7.142 ( 0.000 -1.946 0.000) 1.946 7.969 ( 0.000 3.460 0.000) 3.460 8.046 ( 0.000 1.203 0.000) 1.203 8.092 ( 0.000 -1.988 0.000) 1.988 8.212 ( 0.000 -7.298 0.000) 7.298 8.644 ( 0.000 7.210 0.000) 7.210 8.769 ( 0.000 -1.649 0.000) 1.649 8.825 ( 0.000 7.439 0.000) 7.439 8.887 ( 0.000 2.989 0.000) 2.989 8.949 ( 0.000 7.054 0.000) 7.054 9.114 ( 0.000 2.532 0.000) 2.532 9.442 ( 0.000 10.026 0.000) 10.026 9.464 ( 0.000 -20.578 0.000) 20.578 9.830 ( 0.000 11.049 0.000) 11.049 9.920 ( 0.000 -28.978 0.000) 28.978 9.951 ( 0.000 -10.046 0.000) 10.046 10.357 ( 0.000 -8.927 0.000) 8.927 10.392 ( 0.000 -3.714 0.000) 3.714 10.550 ( 0.000 -7.173 0.000) 7.173 10.633 ( 0.000 10.403 0.000) 10.403 10.675 ( 0.000 1.136 0.000) 1.136 10.829 ( 0.000 -3.946 0.000) 3.946 11.058 ( 0.000 -8.442 0.000) 8.442 11.293 ( 0.000 0.146 0.000) 0.146 11.417 ( 0.000 -13.337 0.000) 13.337 11.574 ( 0.000 1.290 0.000) 1.290 11.582 ( 0.000 0.921 0.000) 0.921 11.762 ( 0.000 6.363 0.000) 6.363 12.118 ( 0.000 -11.037 0.000) 11.037 12.176 ( 0.000 4.151 0.000) 4.151 12.210 ( 0.000 2.329 0.000) 2.329 12.249 ( 0.000 3.839 0.000) 3.839 12.395 ( 0.000 -5.114 0.000) 5.114 14.825 ( 0.000 4.359 0.000) 4.359 14.874 ( 0.000 0.200 0.000) 0.200 15.012 ( 0.000 -7.278 0.000) 7.278 15.067 ( 0.000 -6.458 0.000) 6.458 15.268 ( 0.000 4.507 0.000) 4.507 15.304 ( 0.000 -3.079 0.000) 3.079 15.305 ( 0.000 -3.265 0.000) 3.265 15.419 ( 0.000 -3.164 0.000) 3.164 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 2.201 2.814 0.000) 3.573 2.302 ( 1.396 6.715 0.000) 6.858 2.308 ( -0.083 -1.241 0.000) 1.243 2.327 ( 0.570 1.603 0.000) 1.701 2.371 ( 0.792 4.448 0.000) 4.518 2.376 ( -0.471 0.565 0.000) 0.735 2.553 ( -0.383 -3.488 0.000) 3.509 2.565 ( -0.788 -3.800 0.000) 3.881 2.920 ( -3.500 7.982 0.000) 8.716 3.090 ( 0.011 4.320 0.000) 4.320 3.161 ( 2.825 -1.175 0.000) 3.060 3.177 ( -3.055 1.940 0.000) 3.619 3.321 ( 4.433 2.491 0.000) 5.085 3.425 ( -3.089 -2.896 0.000) 4.234 3.479 ( -2.849 6.686 0.000) 7.268 3.569 ( -2.138 3.261 0.000) 3.899 3.594 ( -4.952 4.181 0.000) 6.481 3.698 ( -1.243 -4.591 0.000) 4.757 3.840 ( 6.150 0.157 0.000) 6.152 3.901 ( 9.436 -4.942 0.000) 10.652 4.034 ( 5.680 -1.069 0.000) 5.780 4.068 ( -2.245 5.855 0.000) 6.271 4.235 ( 0.627 7.069 0.000) 7.097 4.344 ( 2.172 -7.955 0.000) 8.246 4.387 ( -2.652 -0.562 0.000) 2.711 4.461 ( -4.641 6.670 0.000) 8.126 4.521 ( -4.768 -0.068 0.000) 4.769 4.527 ( -0.275 -9.601 0.000) 9.605 5.359 ( 1.050 5.309 0.000) 5.412 5.422 ( 1.601 3.142 0.000) 3.527 5.481 ( -2.681 14.342 0.000) 14.590 5.636 ( -3.982 6.571 0.000) 7.684 5.864 ( 2.552 7.210 0.000) 7.648 5.872 ( 1.675 9.750 0.000) 9.893 5.922 ( 3.033 3.578 0.000) 4.691 5.941 ( 2.081 6.702 0.000) 7.017 6.070 ( 1.466 8.725 0.000) 8.847 6.088 ( 0.801 4.454 0.000) 4.525 6.116 ( 0.254 11.418 0.000) 11.421 6.177 ( -1.456 7.557 0.000) 7.696 6.935 ( -1.043 0.358 0.000) 1.103 6.937 ( -1.522 5.612 0.000) 5.815 7.101 ( 1.158 -6.871 0.000) 6.967 7.137 ( -0.424 -3.364 0.000) 3.390 8.024 ( 5.577 5.377 0.000) 7.747 8.091 ( 5.499 1.884 0.000) 5.813 8.194 ( 9.347 -1.722 0.000) 9.504 8.298 ( 8.208 -6.274 0.000) 10.332 8.550 ( -6.825 7.548 0.000) 10.176 8.782 ( -5.459 4.561 0.000) 7.114 8.813 ( 1.694 -2.967 0.000) 3.416 8.880 ( -6.545 6.006 0.000) 8.883 8.940 ( 4.444 -1.049 0.000) 4.566 9.103 ( 0.419 0.604 0.000) 0.736 9.383 ( -6.545 -17.394 0.000) 18.585 9.509 ( 1.980 3.465 0.000) 3.990 9.650 ( -10.305 -10.913 0.000) 15.010 9.848 ( 2.026 9.964 0.000) 10.168 10.197 ( 11.502 -17.606 0.000) 21.030 10.235 ( -8.639 3.297 0.000) 9.246 10.478 ( 3.818 -15.534 0.000) 15.996 10.592 ( 5.667 -1.889 0.000) 5.973 10.619 ( -5.328 3.543 0.000) 6.399 10.712 ( -6.967 4.207 0.000) 8.139 10.720 ( 3.548 -3.402 0.000) 4.916 11.065 ( 0.791 -7.860 0.000) 7.899 11.170 ( -7.026 -4.776 0.000) 8.495 11.339 ( -9.269 -12.851 0.000) 15.845 11.626 ( 7.114 3.590 0.000) 7.969 11.715 ( 7.378 1.393 0.000) 7.508 11.825 ( 6.638 5.537 0.000) 8.644 12.109 ( -6.641 3.102 0.000) 7.329 12.153 ( 3.367 -10.204 0.000) 10.746 12.165 ( -7.636 3.268 0.000) 8.306 12.188 ( -2.614 3.526 0.000) 4.389 12.378 ( -1.979 -4.856 0.000) 5.243 14.850 ( 2.177 2.838 0.000) 3.577 14.870 ( -0.062 0.042 0.000) 0.075 15.003 ( -0.991 -7.007 0.000) 7.077 15.026 ( -3.171 -5.537 0.000) 6.381 15.278 ( 0.710 4.242 0.000) 4.301 15.282 ( -0.715 -0.793 0.000) 1.068 15.371 ( 4.313 -4.919 0.000) 6.542 15.433 ( 1.259 -3.468 0.000) 3.690 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 2.676 3.119 0.000) 4.110 2.298 ( -1.319 4.180 0.000) 4.383 2.319 ( 1.708 1.257 0.000) 2.121 2.351 ( -0.285 3.424 0.000) 3.436 2.379 ( 1.441 0.011 0.000) 1.441 2.388 ( 0.657 1.752 0.000) 1.871 2.524 ( -2.430 -3.143 0.000) 3.973 2.525 ( -1.991 -2.962 0.000) 3.569 2.925 ( 3.813 4.767 0.000) 6.105 3.028 ( -5.880 2.545 0.000) 6.407 3.181 ( 0.731 -5.578 0.000) 5.626 3.207 ( 2.255 -2.026 0.000) 3.031 3.276 ( 0.200 4.258 0.000) 4.262 3.412 ( -7.312 4.214 0.000) 8.439 3.510 ( 5.186 8.032 0.000) 9.560 3.515 ( -0.406 14.889 0.000) 14.895 3.558 ( 1.733 -0.598 0.000) 1.834 3.655 ( -4.062 -4.497 0.000) 6.060 3.947 ( 4.937 3.956 0.000) 6.326 4.018 ( -2.657 6.476 0.000) 7.000 4.074 ( 7.204 -7.383 0.000) 10.315 4.123 ( 2.207 -6.918 0.000) 7.261 4.259 ( 2.519 6.317 0.000) 6.801 4.339 ( -1.506 1.804 0.000) 2.350 4.347 ( -4.474 6.148 0.000) 7.603 4.363 ( -4.407 5.537 0.000) 7.076 4.457 ( 1.168 -12.526 0.000) 12.581 4.504 ( -2.194 -11.414 0.000) 11.623 5.387 ( 1.862 7.741 0.000) 7.961 5.429 ( -2.501 10.954 0.000) 11.236 5.471 ( 3.560 4.179 0.000) 5.490 5.551 ( -4.559 5.072 0.000) 6.820 5.902 ( 1.148 8.723 0.000) 8.798 5.904 ( 1.133 7.941 0.000) 8.022 5.971 ( 1.659 6.871 0.000) 7.069 5.976 ( 1.118 7.271 0.000) 7.356 6.096 ( 1.080 9.205 0.000) 9.268 6.111 ( 1.643 6.531 0.000) 6.735 6.114 ( -0.619 10.685 0.000) 10.703 6.144 ( -1.780 7.367 0.000) 7.579 6.913 ( -0.657 3.794 0.000) 3.851 6.915 ( -0.754 1.982 0.000) 2.121 7.121 ( 0.752 -7.000 0.000) 7.041 7.130 ( -0.314 -5.750 0.000) 5.758 8.163 ( 8.225 8.540 0.000) 11.857 8.241 ( 7.076 4.631 0.000) 8.456 8.341 ( 0.840 7.986 0.000) 8.030 8.437 ( 0.473 1.874 0.000) 1.933 8.500 ( 8.144 -1.338 0.000) 8.253 8.663 ( -0.734 -5.937 0.000) 5.983 8.717 ( -10.733 1.345 0.000) 10.817 8.782 ( -6.256 -9.390 0.000) 11.283 9.020 ( 5.209 -4.203 0.000) 6.693 9.117 ( -1.505 -3.732 0.000) 4.024 9.296 ( -1.899 -12.488 0.000) 12.632 9.335 ( -8.555 -13.532 0.000) 16.010 9.732 ( 9.171 8.949 0.000) 12.814 9.873 ( -2.774 4.305 0.000) 5.121 10.131 ( 2.242 14.536 0.000) 14.708 10.320 ( -9.075 5.495 0.000) 10.609 10.401 ( -0.167 -11.971 0.000) 11.972 10.474 ( -2.921 -11.454 0.000) 11.821 10.724 ( 3.239 1.883 0.000) 3.747 10.763 ( 0.123 -3.471 0.000) 3.474 10.784 ( 12.332 -11.225 0.000) 16.676 11.013 ( -10.605 -11.473 0.000) 15.623 11.095 ( 2.668 -6.524 0.000) 7.049 11.178 ( -6.378 -8.104 0.000) 10.313 11.761 ( 7.951 5.008 0.000) 9.396 11.858 ( 7.507 1.016 0.000) 7.576 11.939 ( -10.155 4.305 0.000) 11.030 11.977 ( 8.060 4.648 0.000) 9.304 12.007 ( -8.203 1.547 0.000) 8.348 12.109 ( -5.614 4.271 0.000) 7.054 12.233 ( 4.679 -8.029 0.000) 9.292 12.319 ( -4.028 -5.868 0.000) 7.117 14.879 ( 0.911 -0.606 0.000) 1.095 14.885 ( 0.905 -0.012 0.000) 0.905 14.978 ( -1.375 -4.980 0.000) 5.166 14.980 ( -1.137 -5.900 0.000) 6.008 15.277 ( 0.192 2.182 0.000) 2.191 15.283 ( -0.222 3.737 0.000) 3.743 15.439 ( 2.307 -5.254 0.000) 5.738 15.454 ( 0.542 -4.433 0.000) 4.466 ======================= Grid point 35 (22/72) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.248 ( 0.000 -2.950 0.000) 2.950 2.248 ( 0.000 2.950 0.000) 2.950 2.339 ( 0.000 -0.456 0.000) 0.456 2.339 ( 0.000 0.456 0.000) 0.456 2.470 ( 0.000 -6.388 0.000) 6.388 2.470 ( 0.000 6.388 0.000) 6.388 2.474 ( 0.000 -4.580 0.000) 4.580 2.474 ( 0.000 4.580 0.000) 4.580 3.109 ( 0.000 -2.045 0.000) 2.045 3.109 ( 0.000 2.045 0.000) 2.045 3.140 ( 0.000 -1.404 0.000) 1.404 3.140 ( 0.000 1.404 0.000) 1.404 3.437 ( 0.000 -3.454 0.000) 3.454 3.437 ( 0.000 3.454 0.000) 3.454 3.607 ( 0.000 -4.194 0.000) 4.194 3.607 ( 0.000 4.194 0.000) 4.194 3.634 ( 0.000 -1.109 0.000) 1.109 3.634 ( 0.000 1.109 0.000) 1.109 3.686 ( 0.000 -2.065 0.000) 2.065 3.686 ( 0.000 2.065 0.000) 2.065 4.113 ( 0.000 -9.490 0.000) 9.490 4.113 ( 0.000 9.490 0.000) 9.490 4.250 ( 0.000 -6.714 0.000) 6.714 4.250 ( 0.000 6.714 0.000) 6.714 4.413 ( 0.000 -0.479 0.000) 0.479 4.413 ( 0.000 0.479 0.000) 0.479 4.590 ( 0.000 -1.052 0.000) 1.052 4.590 ( 0.000 1.052 0.000) 1.052 5.406 ( 0.000 -1.744 0.000) 1.744 5.406 ( 0.000 1.744 0.000) 1.744 5.721 ( 0.000 -4.362 0.000) 4.362 5.721 ( 0.000 4.362 0.000) 4.362 5.884 ( 0.000 -0.648 0.000) 0.648 5.884 ( 0.000 0.648 0.000) 0.648 5.974 ( 0.000 -1.411 0.000) 1.411 5.974 ( 0.000 1.411 0.000) 1.411 6.138 ( 0.000 -0.159 0.000) 0.159 6.138 ( 0.000 0.159 0.000) 0.159 6.252 ( 0.000 -1.867 0.000) 1.867 6.252 ( 0.000 1.867 0.000) 1.867 6.981 ( 0.000 -3.739 0.000) 3.739 6.981 ( 0.000 3.739 0.000) 3.739 7.079 ( 0.000 -4.908 0.000) 4.908 7.079 ( 0.000 4.908 0.000) 4.908 8.061 ( 0.000 -0.877 0.000) 0.877 8.061 ( 0.000 0.877 0.000) 0.877 8.068 ( 0.000 -6.339 0.000) 6.339 8.068 ( 0.000 6.339 0.000) 6.339 8.743 ( 0.000 -2.215 0.000) 2.215 8.743 ( 0.000 2.215 0.000) 2.215 8.961 ( 0.000 -4.846 0.000) 4.846 8.961 ( 0.000 4.846 0.000) 4.846 9.083 ( 0.000 -15.731 0.000) 15.731 9.083 ( 0.000 15.731 0.000) 15.731 9.362 ( 0.000 -20.500 0.000) 20.500 9.362 ( 0.000 20.500 0.000) 20.500 9.713 ( 0.000 -11.925 0.000) 11.925 9.713 ( 0.000 11.925 0.000) 11.925 10.094 ( 0.000 -14.788 0.000) 14.788 10.094 ( 0.000 14.788 0.000) 14.788 10.380 ( 0.000 -3.174 0.000) 3.174 10.380 ( 0.000 3.174 0.000) 3.174 10.775 ( 0.000 -3.147 0.000) 3.147 10.775 ( 0.000 3.147 0.000) 3.147 10.871 ( 0.000 -10.178 0.000) 10.178 10.871 ( 0.000 10.178 0.000) 10.178 11.263 ( 0.000 -0.351 0.000) 0.351 11.263 ( 0.000 0.351 0.000) 0.351 11.592 ( 0.000 -0.158 0.000) 0.158 11.592 ( 0.000 0.158 0.000) 0.158 11.923 ( 0.000 -8.645 0.000) 8.645 11.923 ( 0.000 8.645 0.000) 8.645 12.239 ( 0.000 -0.723 0.000) 0.723 12.239 ( 0.000 0.723 0.000) 0.723 12.300 ( 0.000 -3.252 0.000) 3.252 12.300 ( 0.000 3.252 0.000) 3.252 14.908 ( 0.000 -3.271 0.000) 3.271 14.908 ( 0.000 3.271 0.000) 3.271 14.937 ( 0.000 -6.291 0.000) 6.291 14.937 ( 0.000 6.291 0.000) 6.291 15.274 ( 0.000 -0.017 0.000) 0.017 15.274 ( 0.000 0.017 0.000) 0.017 15.352 ( 0.000 -3.688 0.000) 3.688 15.352 ( 0.000 3.688 0.000) 3.688 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 1.552 -2.587 0.000) 3.017 2.262 ( 1.552 2.587 0.000) 3.017 2.346 ( 0.670 -0.855 0.000) 1.086 2.346 ( 0.670 0.855 0.000) 1.086 2.464 ( -0.735 -6.024 0.000) 6.068 2.464 ( -0.735 6.024 0.000) 6.068 2.470 ( -0.467 -4.638 0.000) 4.661 2.470 ( -0.467 4.638 0.000) 4.661 3.072 ( -2.834 -6.638 0.000) 7.217 3.072 ( -2.834 6.638 0.000) 7.217 3.163 ( 0.758 -2.860 0.000) 2.958 3.163 ( 0.758 2.860 0.000) 2.958 3.362 ( -3.306 -2.763 0.000) 4.309 3.362 ( -3.306 2.763 0.000) 4.309 3.588 ( -1.881 -5.145 0.000) 5.478 3.588 ( -1.881 5.145 0.000) 5.478 3.717 ( 5.690 -9.179 0.000) 10.800 3.717 ( 5.690 9.179 0.000) 10.800 3.748 ( 4.976 -9.026 0.000) 10.306 3.748 ( 4.976 9.026 0.000) 10.306 4.143 ( 2.986 -9.522 0.000) 9.979 4.143 ( 2.986 9.522 0.000) 9.979 4.230 ( -1.618 -7.746 0.000) 7.913 4.230 ( -1.618 7.746 0.000) 7.913 4.403 ( -1.046 -2.480 0.000) 2.692 4.403 ( -1.046 2.480 0.000) 2.692 4.537 ( -5.124 -0.842 0.000) 5.193 4.537 ( -5.124 0.842 0.000) 5.193 5.427 ( 2.118 -1.787 0.000) 2.771 5.427 ( 2.118 1.787 0.000) 2.771 5.658 ( -4.880 -3.745 0.000) 6.152 5.658 ( -4.880 3.745 0.000) 6.152 5.947 ( 4.547 -1.762 0.000) 4.877 5.947 ( 4.547 1.762 0.000) 4.877 5.994 ( 1.740 -1.860 0.000) 2.547 5.994 ( 1.740 1.860 0.000) 2.547 6.155 ( 1.587 -0.367 0.000) 1.628 6.155 ( 1.587 0.367 0.000) 1.628 6.246 ( -0.671 -1.303 0.000) 1.465 6.246 ( -0.671 1.303 0.000) 1.465 6.983 ( 0.269 -4.376 0.000) 4.385 6.983 ( 0.269 4.376 0.000) 4.385 7.053 ( -2.205 -5.265 0.000) 5.709 7.053 ( -2.205 5.265 0.000) 5.709 8.139 ( 8.114 -2.971 0.000) 8.640 8.139 ( 8.114 2.971 0.000) 8.640 8.154 ( 8.293 -7.256 0.000) 11.019 8.154 ( 8.293 7.256 0.000) 11.019 8.713 ( -3.679 -7.511 0.000) 8.363 8.713 ( -3.679 7.511 0.000) 8.363 8.904 ( -6.703 -5.100 0.000) 8.423 8.904 ( -6.703 5.100 0.000) 8.423 9.060 ( -1.515 -12.797 0.000) 12.886 9.060 ( -1.515 12.797 0.000) 12.886 9.239 ( -8.887 -14.680 0.000) 17.161 9.239 ( -8.887 14.680 0.000) 17.161 9.836 ( 9.552 -16.277 0.000) 18.873 9.836 ( 9.552 16.277 0.000) 18.873 10.115 ( 1.472 -16.245 0.000) 16.311 10.115 ( 1.472 16.245 0.000) 16.312 10.386 ( 1.059 -9.970 0.000) 10.026 10.386 ( 1.059 9.970 0.000) 10.026 10.725 ( -5.398 -5.236 0.000) 7.520 10.725 ( -5.398 5.236 0.000) 7.520 10.889 ( 1.871 -9.798 0.000) 9.975 10.889 ( 1.871 9.798 0.000) 9.975 11.145 ( -8.380 -5.883 0.000) 10.239 11.145 ( -8.380 5.883 0.000) 10.239 11.697 ( 7.664 -2.646 0.000) 8.108 11.697 ( 7.664 2.646 0.000) 8.108 11.970 ( 4.813 -8.071 0.000) 9.398 11.970 ( 4.813 8.071 0.000) 9.398 12.164 ( -7.049 -2.155 0.000) 7.371 12.164 ( -7.049 2.155 0.000) 7.371 12.280 ( -2.465 -4.877 0.000) 5.464 12.280 ( -2.465 4.877 0.000) 5.464 14.902 ( -0.464 -3.184 0.000) 3.218 14.902 ( -0.464 3.184 0.000) 3.218 14.926 ( -0.982 -4.456 0.000) 4.563 14.926 ( -0.982 4.456 0.000) 4.563 15.299 ( 2.298 -2.285 0.000) 3.241 15.299 ( 2.298 2.285 0.000) 3.241 15.361 ( 0.703 -3.826 0.000) 3.890 15.361 ( 0.703 3.826 0.000) 3.890 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.308 ( 2.967 -1.633 0.000) 3.387 2.308 ( 2.967 1.633 0.000) 3.387 2.351 ( -0.826 -1.656 0.000) 1.851 2.351 ( -0.826 1.656 0.000) 1.851 2.446 ( -0.621 -4.432 0.000) 4.475 2.446 ( -0.621 4.432 0.000) 4.475 2.454 ( -1.064 -3.872 0.000) 4.016 2.454 ( -1.064 3.872 0.000) 4.016 3.047 ( 0.968 -6.887 0.000) 6.955 3.047 ( 0.968 6.887 0.000) 6.955 3.109 ( -4.763 -5.173 0.000) 7.032 3.109 ( -4.763 5.173 0.000) 7.032 3.407 ( 6.228 -6.909 0.000) 9.302 3.407 ( 6.228 6.909 0.000) 9.302 3.524 ( -5.021 -6.389 0.000) 8.126 3.524 ( -5.021 6.389 0.000) 8.126 3.804 ( 3.087 -13.232 0.000) 13.588 3.804 ( 3.087 13.232 0.000) 13.588 3.822 ( 1.686 -14.124 0.000) 14.224 3.822 ( 1.686 14.124 0.000) 14.224 4.206 ( 2.649 -10.754 0.000) 11.075 4.206 ( 2.649 10.754 0.000) 11.075 4.217 ( 0.573 -9.837 0.000) 9.854 4.217 ( 0.573 9.837 0.000) 9.854 4.381 ( -0.646 -1.447 0.000) 1.585 4.381 ( -0.646 1.447 0.000) 1.585 4.424 ( -5.426 -0.290 0.000) 5.434 4.424 ( -5.426 0.290 0.000) 5.434 5.484 ( 3.755 -2.184 0.000) 4.344 5.484 ( 3.755 2.184 0.000) 4.344 5.565 ( -4.635 -3.023 0.000) 5.533 5.565 ( -4.635 3.023 0.000) 5.533 6.014 ( 2.074 -2.525 0.000) 3.267 6.014 ( 2.074 2.525 0.000) 3.267 6.023 ( 0.900 -2.466 0.000) 2.625 6.023 ( 0.900 2.466 0.000) 2.625 6.191 ( 1.983 -0.538 0.000) 2.055 6.191 ( 1.983 0.538 0.000) 2.055 6.225 ( -1.503 -0.319 0.000) 1.537 6.225 ( -1.503 0.319 0.000) 1.537 6.992 ( 0.699 -5.423 0.000) 5.467 6.992 ( 0.699 5.423 0.000) 5.467 7.013 ( -1.655 -5.716 0.000) 5.951 7.013 ( -1.655 5.716 0.000) 5.951 8.345 ( 10.386 -8.976 0.000) 13.727 8.345 ( 10.386 8.976 0.000) 13.727 8.352 ( 12.545 -5.683 0.000) 13.772 8.352 ( 12.545 5.683 0.000) 13.772 8.596 ( -7.298 -9.407 0.000) 11.906 8.596 ( -7.298 9.407 0.000) 11.906 8.693 ( -14.001 -5.221 0.000) 14.943 8.693 ( -14.001 5.221 0.000) 14.943 9.057 ( 1.420 -8.574 0.000) 8.691 9.057 ( 1.420 8.574 0.000) 8.691 9.111 ( -4.359 -6.456 0.000) 7.789 9.111 ( -4.359 6.456 0.000) 7.789 10.009 ( 7.726 -17.723 0.000) 19.334 10.009 ( 7.726 17.723 0.000) 19.334 10.111 ( -2.665 -17.376 0.000) 17.579 10.111 ( -2.665 17.376 0.000) 17.579 10.444 ( 5.405 -16.332 0.000) 17.203 10.444 ( 5.405 16.332 0.000) 17.203 10.583 ( -8.403 -14.227 0.000) 16.523 10.583 ( -8.403 14.227 0.000) 16.523 10.939 ( 3.242 -9.313 0.000) 9.861 10.939 ( 3.242 9.313 0.000) 9.861 11.015 ( -5.072 -8.604 0.000) 9.987 11.015 ( -5.072 8.604 0.000) 9.988 11.841 ( 7.749 -2.632 0.000) 8.183 11.841 ( 7.749 2.632 0.000) 8.183 12.002 ( -9.010 -1.955 0.000) 9.219 12.002 ( -9.010 1.955 0.000) 9.219 12.088 ( 6.725 -6.364 0.000) 9.259 12.088 ( 6.725 6.364 0.000) 9.259 12.205 ( -5.241 -5.346 0.000) 7.486 12.205 ( -5.241 5.346 0.000) 7.486 14.897 ( 0.097 -2.391 0.000) 2.393 14.897 ( 0.097 2.391 0.000) 2.393 14.907 ( -0.891 -2.211 0.000) 2.384 14.907 ( -0.891 2.211 0.000) 2.384 15.344 ( 2.048 -4.179 0.000) 4.654 15.344 ( 2.048 4.179 0.000) 4.654 15.368 ( -0.316 -4.299 0.000) 4.311 15.368 ( -0.316 4.299 0.000) 4.311 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 0.000 0.000 26.574) 26.574 0.559 ( 0.000 0.000 26.322) 26.322 1.003 ( 0.000 0.000 46.566) 46.566 1.391 ( 0.000 0.000 -11.636) 11.636 1.559 ( 0.000 0.000 -18.630) 18.630 1.786 ( 0.000 0.000 0.378) 0.378 1.907 ( 0.000 0.000 -4.035) 4.035 2.062 ( 0.000 0.000 3.217) 3.217 2.069 ( 0.000 0.000 4.548) 4.548 2.106 ( 0.000 0.000 0.635) 0.635 2.191 ( 0.000 0.000 -2.104) 2.104 2.224 ( 0.000 0.000 5.327) 5.327 2.267 ( 0.000 0.000 13.792) 13.792 2.369 ( 0.000 0.000 -6.758) 6.758 2.376 ( 0.000 0.000 5.969) 5.969 2.496 ( 0.000 0.000 -10.664) 10.664 2.560 ( 0.000 0.000 -2.180) 2.180 2.597 ( 0.000 0.000 -5.004) 5.004 2.698 ( 0.000 0.000 -11.378) 11.378 2.830 ( 0.000 0.000 4.112) 4.112 2.977 ( 0.000 0.000 -2.111) 2.111 3.001 ( 0.000 0.000 -26.977) 26.977 3.129 ( 0.000 0.000 9.773) 9.773 3.337 ( 0.000 0.000 9.520) 9.520 3.827 ( 0.000 0.000 -6.749) 6.749 3.920 ( 0.000 0.000 12.404) 12.404 4.013 ( 0.000 0.000 -18.252) 18.252 4.185 ( 0.000 0.000 4.831) 4.831 4.535 ( 0.000 0.000 3.045) 3.045 4.626 ( 0.000 0.000 -0.279) 0.279 4.838 ( 0.000 0.000 2.091) 2.091 4.870 ( 0.000 0.000 4.859) 4.859 4.974 ( 0.000 0.000 4.462) 4.462 5.067 ( 0.000 0.000 0.592) 0.592 5.384 ( 0.000 0.000 -1.841) 1.841 5.410 ( 0.000 0.000 -2.141) 2.141 5.610 ( 0.000 0.000 -1.003) 1.003 5.662 ( 0.000 0.000 -3.091) 3.091 6.273 ( 0.000 0.000 7.291) 7.291 6.425 ( 0.000 0.000 0.517) 0.517 7.058 ( 0.000 0.000 5.952) 5.952 7.126 ( 0.000 0.000 7.445) 7.445 7.394 ( 0.000 0.000 0.053) 0.053 7.500 ( 0.000 0.000 -5.407) 5.407 7.564 ( 0.000 0.000 -9.440) 9.440 7.790 ( 0.000 0.000 0.892) 0.892 7.794 ( 0.000 0.000 -8.845) 8.845 7.799 ( 0.000 0.000 0.350) 0.350 8.109 ( 0.000 0.000 6.994) 6.994 8.286 ( 0.000 0.000 -1.171) 1.171 8.598 ( 0.000 0.000 6.980) 6.980 8.645 ( 0.000 0.000 3.155) 3.155 8.735 ( 0.000 0.000 -0.795) 0.795 8.953 ( 0.000 0.000 -8.070) 8.070 9.313 ( 0.000 0.000 3.380) 3.380 9.670 ( 0.000 0.000 10.565) 10.565 9.770 ( 0.000 0.000 1.672) 1.672 9.779 ( 0.000 0.000 -13.171) 13.171 9.844 ( 0.000 0.000 -1.162) 1.162 10.029 ( 0.000 0.000 -5.186) 5.186 10.237 ( 0.000 0.000 6.139) 6.139 10.366 ( 0.000 0.000 -1.176) 1.176 10.558 ( 0.000 0.000 0.652) 0.652 10.612 ( 0.000 0.000 -1.382) 1.382 11.363 ( 0.000 0.000 6.699) 6.699 11.484 ( 0.000 0.000 0.276) 0.276 11.508 ( 0.000 0.000 -0.732) 0.732 11.524 ( 0.000 0.000 0.529) 0.529 11.538 ( 0.000 0.000 0.079) 0.079 11.712 ( 0.000 0.000 -6.649) 6.649 12.018 ( 0.000 0.000 0.476) 0.476 12.064 ( 0.000 0.000 -1.476) 1.476 12.951 ( 0.000 0.000 2.016) 2.016 12.953 ( 0.000 0.000 2.212) 2.212 13.303 ( 0.000 0.000 -0.202) 0.202 13.370 ( 0.000 0.000 -2.927) 2.927 15.039 ( 0.000 0.000 1.328) 1.328 15.127 ( 0.000 0.000 -2.057) 2.057 15.450 ( 0.000 0.000 0.589) 0.589 15.532 ( 0.000 0.000 -2.301) 2.301 16.429 ( 0.000 0.000 3.107) 3.107 16.629 ( 0.000 0.000 -4.849) 4.849 16.742 ( 0.000 0.000 4.905) 4.905 16.910 ( 0.000 0.000 -1.581) 1.581 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 16.624 0.000 18.888) 25.162 0.784 ( 18.429 0.000 19.135) 26.566 1.275 ( 26.661 0.000 34.017) 43.220 1.439 ( 4.689 0.000 -9.711) 10.784 1.637 ( 6.867 0.000 -17.462) 18.764 1.735 ( -7.711 0.000 0.140) 7.713 1.823 ( -6.006 0.000 -0.635) 6.039 1.947 ( -17.288 0.000 5.286) 18.078 2.006 ( -1.664 0.000 2.945) 3.383 2.093 ( -1.233 0.000 -0.008) 1.233 2.153 ( -2.406 0.000 -5.239) 5.765 2.195 ( 0.949 0.000 -1.957) 2.175 2.305 ( -2.849 0.000 -3.234) 4.310 2.392 ( 10.881 0.000 15.085) 18.600 2.470 ( 5.495 0.000 2.407) 5.999 2.591 ( 2.327 0.000 -0.297) 2.345 2.619 ( 6.985 0.000 -4.124) 8.112 2.652 ( 1.504 0.000 -11.607) 11.704 2.778 ( 13.569 0.000 -4.611) 14.331 2.832 ( 0.401 0.000 2.947) 2.974 2.959 ( -1.798 0.000 -2.004) 2.693 3.058 ( 2.627 0.000 -14.117) 14.359 3.126 ( 0.391 0.000 5.062) 5.077 3.306 ( 0.159 0.000 0.118) 0.198 3.592 ( -21.321 0.000 12.410) 24.669 3.809 ( -7.792 0.000 -10.260) 12.883 3.947 ( -5.563 0.000 -10.825) 12.171 4.072 ( -15.867 0.000 -7.706) 17.639 4.596 ( 2.212 0.000 6.885) 7.232 4.739 ( 3.498 0.000 -1.383) 3.761 4.747 ( -0.026 0.000 3.005) 3.005 4.850 ( 1.174 0.000 0.090) 1.178 4.952 ( -5.507 0.000 5.375) 7.695 5.010 ( -3.696 0.000 2.719) 4.588 5.454 ( 5.611 0.000 -0.432) 5.627 5.492 ( 6.944 0.000 0.558) 6.966 5.588 ( 0.846 0.000 0.040) 0.847 5.807 ( 9.762 0.000 -5.992) 11.454 6.125 ( -12.850 0.000 7.949) 15.110 6.382 ( -3.273 0.000 -3.618) 4.879 7.080 ( 2.270 0.000 5.844) 6.269 7.297 ( 12.069 0.000 5.443) 13.240 7.349 ( -4.505 0.000 2.941) 5.380 7.505 ( 0.957 0.000 -7.932) 7.989 7.616 ( 2.337 0.000 -6.432) 6.843 7.677 ( -4.646 0.000 8.661) 9.829 7.725 ( -5.619 0.000 -7.677) 9.514 7.800 ( 0.325 0.000 -0.363) 0.487 8.196 ( 7.437 0.000 5.397) 9.189 8.343 ( 5.171 0.000 -0.742) 5.224 8.619 ( -2.536 0.000 3.011) 3.936 8.711 ( -2.528 0.000 -0.880) 2.677 8.733 ( 12.952 0.000 4.571) 13.735 9.004 ( 2.672 0.000 -4.901) 5.582 9.242 ( -5.574 0.000 1.320) 5.728 9.431 ( -13.195 0.000 -1.011) 13.233 9.772 ( 0.317 0.000 1.415) 1.450 9.833 ( -1.113 0.000 -0.882) 1.420 10.053 ( 15.523 0.000 -3.905) 16.007 10.217 ( 16.306 0.000 -2.555) 16.505 10.386 ( 7.084 0.000 -1.186) 7.183 10.482 ( 11.714 0.000 -5.438) 12.915 10.563 ( 0.503 0.000 0.429) 0.661 10.607 ( -0.549 0.000 -1.212) 1.331 11.279 ( -11.127 0.000 9.021) 14.324 11.486 ( 0.236 0.000 0.235) 0.333 11.504 ( -0.283 0.000 -0.424) 0.510 11.527 ( 0.250 0.000 0.278) 0.374 11.537 ( -0.065 0.000 0.066) 0.093 11.595 ( -21.736 0.000 5.579) 22.440 11.752 ( -3.842 0.000 1.129) 4.004 11.957 ( -9.059 0.000 -3.552) 9.731 12.873 ( -2.410 0.000 3.708) 4.423 12.964 ( -2.883 0.000 0.651) 2.956 13.322 ( 1.758 0.000 0.005) 1.758 13.379 ( 0.488 0.000 -1.972) 2.031 15.089 ( 3.491 0.000 -0.269) 3.502 15.180 ( 4.066 0.000 -4.766) 6.265 15.472 ( 1.957 0.000 0.992) 2.194 15.577 ( 1.999 0.000 -2.210) 2.980 16.418 ( -0.781 0.000 1.911) 2.065 16.584 ( -5.431 0.000 -2.871) 6.144 16.709 ( -2.080 0.000 3.893) 4.413 16.782 ( -5.345 0.000 4.497) 6.986 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 19.558 0.000 11.046) 22.462 1.155 ( 20.167 0.000 13.838) 24.458 1.449 ( -14.262 0.000 5.864) 15.420 1.545 ( -19.956 0.000 8.834) 21.824 1.589 ( 4.578 0.000 -7.376) 8.681 1.716 ( -6.437 0.000 -3.327) 7.246 1.803 ( 12.934 0.000 -12.630) 18.078 1.879 ( 18.654 0.000 8.815) 20.632 2.004 ( 1.295 0.000 0.925) 1.592 2.046 ( -2.809 0.000 -0.635) 2.880 2.083 ( 3.210 0.000 -5.365) 6.252 2.224 ( 1.778 0.000 -2.928) 3.426 2.260 ( -2.039 0.000 -3.650) 4.181 2.514 ( -15.910 0.000 6.229) 17.086 2.564 ( 4.020 0.000 3.472) 5.312 2.612 ( -0.697 0.000 2.760) 2.846 2.676 ( 9.361 0.000 13.316) 16.277 2.746 ( 6.302 0.000 4.311) 7.636 2.857 ( 2.347 0.000 0.076) 2.348 2.912 ( -2.970 0.000 -1.536) 3.344 2.934 ( -2.652 0.000 6.005) 6.564 2.982 ( -7.290 0.000 6.405) 9.703 3.248 ( 13.793 0.000 -5.081) 14.699 3.358 ( 5.576 0.000 -2.620) 6.161 3.441 ( 9.649 0.000 -17.926) 20.358 3.568 ( -16.785 0.000 -10.565) 19.834 3.724 ( -15.286 0.000 -8.391) 17.438 3.783 ( -12.761 0.000 -18.151) 22.188 4.562 ( 1.518 0.000 7.910) 8.055 4.678 ( -7.860 0.000 3.508) 8.607 4.851 ( 4.247 0.000 3.011) 5.206 4.886 ( 1.125 0.000 -0.002) 1.125 4.905 ( 1.561 0.000 -0.274) 1.585 4.942 ( -3.235 0.000 2.128) 3.872 5.549 ( 3.930 0.000 1.927) 4.377 5.583 ( 0.809 0.000 4.627) 4.697 5.668 ( 7.656 0.000 1.807) 7.866 5.833 ( -8.906 0.000 5.182) 10.304 6.068 ( 9.324 0.000 -2.489) 9.650 6.259 ( -9.142 0.000 -5.517) 10.677 7.144 ( 4.432 0.000 5.500) 7.063 7.244 ( -5.802 0.000 4.800) 7.530 7.469 ( 5.878 0.000 2.472) 6.376 7.543 ( 3.048 0.000 -8.643) 9.164 7.563 ( -4.268 0.000 1.250) 4.447 7.620 ( -4.945 0.000 -7.903) 9.323 7.730 ( 5.398 0.000 2.897) 6.126 7.802 ( -1.284 0.000 1.266) 1.803 8.344 ( 7.216 0.000 4.423) 8.464 8.425 ( 0.802 0.000 1.927) 2.087 8.577 ( 0.150 0.000 0.885) 0.898 8.641 ( -4.498 0.000 -0.984) 4.604 8.989 ( 11.354 0.000 0.308) 11.358 9.064 ( 4.586 0.000 -1.072) 4.710 9.140 ( -5.235 0.000 -1.387) 5.416 9.214 ( -9.593 0.000 -1.916) 9.782 9.784 ( 0.928 0.000 0.725) 1.178 9.807 ( -1.423 0.000 -0.155) 1.432 10.330 ( 13.517 0.000 4.867) 14.367 10.469 ( 6.035 0.000 3.676) 7.067 10.574 ( 3.068 0.000 -2.710) 4.094 10.576 ( 0.833 0.000 -0.122) 0.842 10.593 ( -0.862 0.000 -0.746) 1.140 10.617 ( 9.348 0.000 -3.258) 9.899 10.980 ( -9.667 0.000 9.299) 13.414 11.196 ( -20.531 0.000 1.783) 20.609 11.492 ( 0.336 0.000 0.115) 0.356 11.498 ( -0.335 0.000 -0.090) 0.347 11.532 ( 0.225 0.000 0.085) 0.241 11.535 ( -0.141 0.000 0.048) 0.149 11.763 ( 2.355 0.000 -4.478) 5.059 11.822 ( -4.299 0.000 -5.221) 6.763 12.854 ( 0.501 0.000 1.683) 1.756 12.894 ( -3.447 0.000 0.589) 3.497 13.357 ( 1.641 0.000 0.047) 1.641 13.379 ( -0.569 0.000 -0.617) 0.840 15.169 ( 4.536 0.000 0.883) 4.621 15.225 ( -0.328 0.000 -1.188) 1.233 15.514 ( 2.564 0.000 -0.091) 2.566 15.568 ( -2.471 0.000 -0.641) 2.553 16.421 ( 1.499 0.000 -1.113) 1.866 16.478 ( -4.482 0.000 -1.761) 4.816 16.698 ( 0.640 0.000 1.809) 1.919 16.724 ( -1.957 0.000 1.995) 2.794 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 17.378 18.431) 25.331 0.787 ( 0.000 18.479 18.514) 26.158 1.469 ( 0.000 35.767 20.723) 41.337 1.582 ( 0.000 15.137 -14.564) 21.006 1.625 ( 0.000 8.683 -9.299) 12.722 1.961 ( 0.000 16.020 1.757) 16.116 2.077 ( 0.000 13.882 -3.412) 14.296 2.104 ( 0.000 2.954 -0.960) 3.106 2.199 ( 0.000 6.235 5.360) 8.222 2.212 ( 0.000 11.453 4.441) 12.284 2.275 ( 0.000 4.317 10.594) 11.440 2.289 ( 0.000 14.816 1.067) 14.854 2.373 ( 0.000 12.390 0.961) 12.427 2.474 ( 0.000 1.103 -10.172) 10.232 2.534 ( 0.000 11.847 -8.517) 14.591 2.563 ( 0.000 15.983 6.255) 17.164 2.612 ( 0.000 1.315 -2.009) 2.401 2.679 ( 0.000 8.776 -3.633) 9.498 2.785 ( 0.000 14.476 -3.385) 14.867 3.035 ( 0.000 15.663 1.431) 15.729 3.095 ( 0.000 8.417 -7.702) 11.409 3.140 ( 0.000 7.145 -1.209) 7.246 3.194 ( 0.000 16.566 -9.800) 19.248 3.355 ( 0.000 3.481 9.373) 9.998 3.844 ( 0.000 1.803 -7.717) 7.925 3.853 ( 0.000 -3.230 8.872) 9.441 3.971 ( 0.000 -1.238 -7.202) 7.307 4.199 ( 0.000 1.624 4.878) 5.142 4.542 ( 0.000 0.878 3.222) 3.340 4.617 ( 0.000 -0.501 -0.106) 0.512 4.805 ( 0.000 -3.157 2.112) 3.798 4.807 ( 0.000 -4.364 4.534) 6.293 4.958 ( 0.000 -1.626 3.958) 4.279 5.053 ( 0.000 -1.236 -0.050) 1.237 5.392 ( 0.000 -1.677 -1.543) 2.279 5.395 ( 0.000 1.170 -2.230) 2.518 5.585 ( 0.000 -1.888 -0.063) 1.889 5.648 ( 0.000 -0.978 -2.723) 2.894 6.198 ( 0.000 -5.836 4.021) 7.087 6.320 ( 0.000 -7.598 -1.663) 7.778 7.119 ( 0.000 -0.524 6.439) 6.460 7.281 ( 0.000 8.247 -7.110) 10.889 7.434 ( 0.000 -0.981 -5.405) 5.493 7.552 ( 0.000 -1.208 -8.077) 8.167 7.646 ( 0.000 13.301 1.844) 13.428 7.770 ( 0.000 1.191 2.356) 2.640 7.776 ( 0.000 -0.728 -1.071) 1.295 7.902 ( 0.000 8.534 -5.462) 10.132 8.302 ( 0.000 16.926 4.656) 17.555 8.443 ( 0.000 13.876 -1.251) 13.932 8.646 ( 0.000 4.887 8.128) 9.484 8.762 ( 0.000 10.838 3.057) 11.261 8.880 ( 0.000 12.280 -0.792) 12.305 9.015 ( 0.000 4.264 -5.330) 6.826 9.312 ( 0.000 -1.904 2.759) 3.352 9.575 ( 0.000 -6.340 9.631) 11.531 9.667 ( 0.000 -10.242 -6.723) 12.252 9.810 ( 0.000 7.075 2.371) 7.461 9.948 ( 0.000 -8.560 -5.105) 9.967 10.067 ( 0.000 13.453 -10.740) 17.214 10.383 ( 0.000 -4.001 -2.243) 4.587 10.507 ( 0.000 2.332 -3.238) 3.990 10.543 ( 0.000 10.621 -4.228) 11.431 10.564 ( 0.000 3.299 -0.195) 3.305 11.314 ( 0.000 -9.436 6.233) 11.309 11.361 ( 0.000 -13.861 -0.295) 13.864 11.373 ( 0.000 -3.082 3.502) 4.665 11.460 ( 0.000 -3.918 1.888) 4.349 11.523 ( 0.000 1.985 -0.313) 2.010 11.745 ( 0.000 2.258 -9.326) 9.596 12.087 ( 0.000 5.466 2.204) 5.894 12.115 ( 0.000 3.953 0.322) 3.966 12.879 ( 0.000 -7.367 2.922) 7.925 12.981 ( 0.000 1.030 -1.223) 1.599 13.226 ( 0.000 -7.504 -0.748) 7.541 13.257 ( 0.000 -10.843 -2.487) 11.124 15.137 ( 0.000 0.157 -1.575) 1.583 15.138 ( 0.000 4.100 -4.652) 6.201 15.402 ( 0.000 -4.465 1.402) 4.680 15.508 ( 0.000 -2.025 -2.383) 3.128 16.348 ( 0.000 -7.768 2.525) 8.168 16.500 ( 0.000 -12.029 -2.487) 12.283 16.630 ( 0.000 -10.626 4.443) 11.517 16.697 ( 0.000 -14.362 5.696) 15.450 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 14.860 13.064 16.118) 25.520 0.943 ( 13.192 14.140 16.082) 25.151 1.598 ( 7.098 14.871 -8.562) 18.570 1.658 ( 10.519 20.301 -3.952) 23.204 1.732 ( 11.037 18.442 5.664) 22.226 1.914 ( -9.704 14.380 2.174) 17.483 1.944 ( -9.771 8.392 0.465) 12.889 2.010 ( -8.871 11.064 3.742) 14.667 2.132 ( 0.712 1.770 -3.741) 4.200 2.193 ( -2.012 15.843 0.192) 15.971 2.263 ( -1.804 14.759 0.005) 14.869 2.360 ( -0.276 12.892 -1.757) 13.014 2.411 ( 10.219 3.280 12.539) 16.505 2.446 ( -3.505 11.496 -4.684) 12.899 2.620 ( 7.735 3.911 -2.023) 8.900 2.646 ( 4.790 14.030 3.536) 15.241 2.704 ( 3.541 5.580 -4.319) 7.895 2.765 ( 7.720 9.680 -2.647) 12.662 2.796 ( 6.550 8.739 -2.024) 11.107 3.015 ( -1.116 13.856 0.828) 13.926 3.124 ( 0.863 2.745 9.828) 10.241 3.148 ( 0.297 16.668 -4.554) 17.281 3.208 ( 0.603 14.410 -13.586) 19.814 3.334 ( 1.401 3.867 -2.110) 4.623 3.614 ( -19.446 2.964 11.658) 22.866 3.806 ( -8.294 0.072 -9.313) 12.471 3.893 ( -5.367 -3.846 -10.977) 12.810 4.072 ( -12.938 2.169 -3.792) 13.655 4.585 ( 1.895 -0.369 7.644) 7.884 4.715 ( 2.169 -2.088 -0.021) 3.011 4.730 ( 0.567 -1.333 3.007) 3.337 4.823 ( 1.739 -2.707 0.885) 3.337 4.925 ( -5.184 -2.302 4.049) 6.969 4.981 ( -4.341 -2.282 1.919) 5.266 5.452 ( 4.611 -0.333 -0.963) 4.723 5.483 ( 7.716 -0.660 0.069) 7.744 5.554 ( -0.339 -2.461 1.745) 3.036 5.769 ( 8.975 -2.456 -5.190) 10.654 6.038 ( -11.706 -5.743 7.249) 14.919 6.311 ( -3.432 -5.787 -4.305) 7.988 7.203 ( 6.250 -0.293 1.331) 6.397 7.336 ( 5.458 6.121 -1.739) 8.384 7.430 ( -0.115 -1.627 -5.282) 5.528 7.544 ( -2.517 4.727 -4.182) 6.794 7.655 ( 1.627 6.815 0.613) 7.034 7.753 ( -1.051 7.115 4.446) 8.455 7.795 ( 0.194 3.163 -2.703) 4.165 7.858 ( -3.016 8.226 -3.115) 9.299 8.349 ( 5.294 14.742 4.668) 16.344 8.471 ( 3.868 11.984 -0.344) 12.597 8.728 ( -0.359 9.063 3.567) 9.746 8.793 ( 9.775 7.086 3.749) 12.642 8.845 ( -3.029 11.311 0.161) 11.711 9.030 ( 1.622 2.871 -3.531) 4.831 9.265 ( -3.977 1.276 1.354) 4.390 9.420 ( -10.188 -1.799 0.845) 10.380 9.713 ( -1.004 -3.626 0.881) 3.864 9.777 ( 3.027 -5.664 -0.225) 6.426 10.139 ( 10.782 3.806 -3.501) 11.958 10.225 ( 16.054 3.420 -3.543) 16.792 10.397 ( 1.729 -7.970 -0.943) 8.210 10.467 ( -0.588 -3.671 -0.873) 3.819 10.551 ( -0.566 4.143 0.259) 4.190 10.626 ( 3.125 6.033 -7.821) 10.360 11.208 ( -11.353 -7.542 8.935) 16.297 11.293 ( -3.445 -12.806 1.069) 13.304 11.398 ( -1.859 -7.287 -0.985) 7.585 11.475 ( -0.325 -2.942 0.668) 3.034 11.499 ( -0.986 0.878 1.532) 2.023 11.667 ( -12.665 3.404 -5.220) 14.115 11.930 ( -4.118 10.945 3.449) 12.193 12.041 ( -5.827 6.258 -1.473) 8.676 12.839 ( -2.301 -5.005 2.984) 6.265 12.948 ( -4.007 -2.188 -0.725) 4.623 13.253 ( 2.286 -6.932 -0.690) 7.331 13.282 ( 1.847 -9.367 -1.571) 9.676 15.120 ( 1.040 1.491 -0.445) 1.871 15.190 ( 2.702 -0.020 -4.211) 5.003 15.430 ( 2.418 -3.978 1.459) 4.879 15.546 ( 1.876 -2.837 -2.040) 3.966 16.334 ( -1.009 -8.054 1.427) 8.241 16.464 ( -3.887 -10.944 -1.537) 11.715 16.607 ( -1.265 -9.752 3.483) 10.432 16.663 ( -2.056 -10.610 3.754) 11.441 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 17.316 8.604 11.524) 22.510 1.244 ( 20.591 11.051 10.769) 25.731 1.575 ( -15.776 5.389 5.867) 17.673 1.615 ( -17.119 11.608 5.577) 21.422 1.776 ( 5.204 15.883 -8.009) 18.534 1.863 ( 4.802 7.467 -12.430) 15.275 1.913 ( -1.644 14.808 -6.137) 16.113 2.020 ( 1.183 10.827 -3.493) 11.438 2.111 ( 2.430 10.491 -0.551) 10.783 2.173 ( -1.846 13.727 -1.428) 13.924 2.290 ( 12.445 20.297 6.573) 24.699 2.373 ( 2.601 13.005 -2.861) 13.568 2.404 ( -1.569 13.166 -2.299) 13.457 2.612 ( -2.237 8.666 8.573) 12.394 2.697 ( 4.000 4.173 10.060) 11.602 2.721 ( 2.873 10.582 5.596) 12.311 2.738 ( 1.622 8.793 3.568) 9.627 2.806 ( 1.513 11.054 5.269) 12.339 2.958 ( -1.354 4.923 3.521) 6.202 2.987 ( -2.554 7.231 4.496) 8.890 3.104 ( -1.740 16.860 -0.524) 16.958 3.121 ( -5.299 16.967 3.407) 18.099 3.269 ( 13.874 2.358 -3.219) 14.436 3.367 ( 2.522 1.164 1.007) 2.954 3.492 ( 8.789 6.646 -21.189) 23.883 3.577 ( -14.682 1.071 -9.401) 17.467 3.684 ( -12.105 -3.014 -8.849) 15.294 3.816 ( -13.595 4.594 -17.623) 22.727 4.565 ( 1.463 0.394 7.774) 7.921 4.666 ( -6.610 -0.655 4.476) 8.010 4.821 ( 4.189 -2.621 2.887) 5.722 4.855 ( -0.039 -3.201 1.627) 3.590 4.866 ( 1.775 -2.921 0.158) 3.421 4.912 ( -3.418 -2.628 2.070) 4.783 5.530 ( 3.081 -1.691 1.206) 3.715 5.558 ( 0.102 -2.431 3.042) 3.896 5.641 ( 8.090 -1.810 3.147) 8.867 5.801 ( -8.652 -2.396 5.747) 10.660 5.991 ( 9.930 -5.162 -3.634) 11.766 6.185 ( -9.139 -5.333 -5.388) 11.874 7.318 ( 6.009 2.040 -3.316) 7.160 7.407 ( -0.917 -0.500 -0.191) 1.062 7.441 ( 1.244 2.588 -3.006) 4.157 7.469 ( -3.393 10.950 -1.695) 11.589 7.690 ( 2.342 5.927 1.198) 6.485 7.746 ( -2.893 7.023 -0.334) 7.603 7.770 ( 1.986 7.468 1.298) 7.836 7.822 ( -2.126 4.393 0.876) 4.959 8.482 ( 7.401 12.712 3.876) 15.212 8.559 ( 2.246 12.413 1.638) 12.721 8.687 ( -0.828 10.240 1.534) 10.387 8.754 ( -5.234 10.585 -0.156) 11.810 9.035 ( 11.450 4.483 -0.213) 12.299 9.088 ( 4.750 1.985 -1.539) 5.373 9.177 ( -5.318 3.255 -0.822) 6.289 9.235 ( -8.993 2.366 -1.113) 9.366 9.747 ( 3.419 -3.957 1.785) 5.526 9.795 ( -1.011 -2.053 0.347) 2.314 10.329 ( 8.082 -0.680 3.054) 8.667 10.415 ( -0.975 -9.615 1.570) 9.791 10.476 ( 5.620 -3.399 2.735) 7.114 10.515 ( 6.565 -4.578 0.174) 8.006 10.591 ( -2.341 0.822 -2.351) 3.418 10.657 ( 5.850 2.112 -2.975) 6.894 10.955 ( -5.887 -1.989 7.392) 9.658 11.199 ( -15.462 0.233 -0.609) 15.476 11.299 ( -4.573 -14.119 -3.994) 15.369 11.331 ( -4.552 -10.766 -4.308) 12.458 11.506 ( 0.871 0.866 2.059) 2.397 11.524 ( -1.284 2.785 1.383) 3.364 11.949 ( 2.353 10.921 -1.292) 11.246 11.978 ( -1.158 9.258 -2.017) 9.546 12.817 ( 0.375 -4.633 1.492) 4.881 12.861 ( -4.076 -4.043 0.135) 5.742 13.292 ( 1.485 -6.840 -0.483) 7.016 13.304 ( 0.275 -7.644 -0.709) 7.681 15.171 ( 3.631 -0.100 0.959) 3.757 15.219 ( -0.457 -0.868 -0.660) 1.182 15.481 ( 2.980 -3.231 0.228) 4.401 15.538 ( -2.392 -2.904 -0.603) 3.811 16.333 ( 1.229 -8.496 -1.278) 8.678 16.382 ( -3.818 -9.145 -1.850) 10.081 16.604 ( 0.829 -9.025 1.904) 9.261 16.630 ( -1.588 -9.061 1.741) 9.362 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 20.793 10.295) 23.203 1.201 ( 0.000 21.099 9.119) 22.985 1.762 ( 0.000 9.686 -13.547) 16.654 1.864 ( 0.000 12.169 -17.472) 21.292 2.178 ( 0.000 4.729 -2.984) 5.591 2.220 ( 0.000 12.922 7.228) 14.806 2.280 ( 0.000 5.838 5.131) 7.772 2.346 ( 0.000 8.894 1.024) 8.953 2.381 ( 0.000 20.122 5.422) 20.839 2.386 ( 0.000 25.217 1.746) 25.277 2.543 ( 0.000 6.247 -3.179) 7.009 2.637 ( 0.000 7.044 -2.700) 7.544 2.672 ( 0.000 26.075 -0.454) 26.079 2.673 ( 0.000 16.619 -0.621) 16.631 2.726 ( 0.000 20.320 6.099) 21.215 2.768 ( 0.000 17.639 -2.609) 17.831 2.900 ( 0.000 14.801 6.880) 16.322 3.042 ( 0.000 21.111 0.134) 21.112 3.112 ( 0.000 13.216 -4.984) 14.125 3.188 ( 0.000 6.660 12.001) 13.725 3.345 ( 0.000 16.239 10.559) 19.370 3.526 ( 0.000 26.382 -20.699) 33.533 3.566 ( 0.000 15.942 4.516) 16.569 3.669 ( 0.000 27.599 -5.454) 28.133 3.833 ( 0.000 0.306 -5.921) 5.929 3.900 ( 0.000 3.382 -8.338) 8.997 4.012 ( 0.000 8.793 3.332) 9.403 4.276 ( 0.000 7.158 3.550) 7.990 4.581 ( 0.000 3.141 3.130) 4.434 4.626 ( 0.000 1.312 -0.620) 1.451 4.701 ( 0.000 -5.940 3.472) 6.880 4.725 ( 0.000 -3.397 2.145) 4.017 4.905 ( 0.000 -3.766 2.949) 4.783 5.020 ( 0.000 -1.806 -1.729) 2.500 5.344 ( 0.000 -3.045 0.535) 3.092 5.422 ( 0.000 1.075 -2.654) 2.864 5.564 ( 0.000 0.442 1.381) 1.449 5.639 ( 0.000 0.360 -1.883) 1.917 6.091 ( 0.000 -4.053 -0.040) 4.053 6.155 ( 0.000 -8.076 -2.144) 8.356 7.108 ( 0.000 -0.537 4.400) 4.433 7.331 ( 0.000 -8.239 1.165) 8.321 7.339 ( 0.000 -0.924 -7.933) 7.987 7.521 ( 0.000 -1.904 -4.219) 4.629 7.746 ( 0.000 2.327 0.080) 2.329 7.789 ( 0.000 2.285 -2.090) 3.097 8.019 ( 0.000 14.719 1.448) 14.790 8.079 ( 0.000 7.658 -1.645) 7.832 8.647 ( 0.000 11.839 1.811) 11.977 8.729 ( 0.000 10.486 -1.392) 10.578 8.804 ( 0.000 11.345 10.079) 15.175 9.038 ( 0.000 -1.381 1.809) 2.276 9.044 ( 0.000 15.707 1.895) 15.821 9.113 ( 0.000 5.966 -1.496) 6.151 9.276 ( 0.000 0.070 0.219) 0.230 9.449 ( 0.000 -10.156 -7.105) 12.395 9.540 ( 0.000 4.919 3.916) 6.287 9.703 ( 0.000 -14.839 -2.634) 15.071 10.070 ( 0.000 17.634 2.346) 17.790 10.205 ( 0.000 -6.011 2.928) 6.686 10.310 ( 0.000 10.649 -1.406) 10.741 10.393 ( 0.000 -4.064 -3.266) 5.214 10.767 ( 0.000 8.858 -1.332) 8.957 10.770 ( 0.000 7.959 -8.109) 11.363 11.123 ( 0.000 -7.124 -0.763) 7.165 11.128 ( 0.000 -7.018 3.626) 7.899 11.347 ( 0.000 -0.930 1.252) 1.560 11.389 ( 0.000 -2.169 6.748) 7.088 11.580 ( 0.000 3.130 0.512) 3.172 11.771 ( 0.000 -0.381 -13.542) 13.547 12.187 ( 0.000 2.908 4.137) 5.056 12.191 ( 0.000 3.130 1.580) 3.506 12.655 ( 0.000 -13.932 5.340) 14.921 12.920 ( 0.000 -10.628 -5.244) 11.851 12.982 ( 0.000 -12.531 -0.630) 12.547 13.012 ( 0.000 -13.224 -1.864) 13.355 15.096 ( 0.000 -4.702 -1.407) 4.908 15.141 ( 0.000 -2.804 -4.154) 5.012 15.292 ( 0.000 -5.937 3.889) 7.097 15.459 ( 0.000 -2.825 -2.604) 3.842 16.134 ( 0.000 -12.843 1.204) 12.899 16.202 ( 0.000 -16.462 -0.679) 16.476 16.342 ( 0.000 -17.069 3.554) 17.435 16.385 ( 0.000 -17.111 2.880) 17.351 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 8.458 18.773 10.060) 22.916 1.287 ( 7.990 18.470 9.285) 22.163 1.796 ( 2.931 8.998 -12.937) 16.028 1.926 ( 5.119 10.837 -15.303) 19.437 2.074 ( -12.004 8.480 -3.055) 15.011 2.165 ( -0.841 4.271 -4.471) 6.240 2.227 ( -10.375 10.780 3.896) 15.460 2.350 ( 2.830 13.833 4.341) 14.771 2.407 ( 6.315 24.793 7.750) 26.732 2.453 ( 5.669 16.464 8.354) 19.313 2.614 ( -3.582 20.870 -1.731) 21.246 2.642 ( -1.942 8.292 -5.722) 10.260 2.674 ( 4.645 15.704 -5.139) 17.164 2.730 ( 5.035 9.020 0.205) 10.332 2.760 ( 4.097 23.374 5.313) 24.318 2.812 ( 10.534 14.619 1.473) 18.079 2.916 ( 0.770 10.751 7.593) 13.185 3.033 ( -0.346 14.210 3.780) 14.708 3.104 ( -0.474 13.706 -2.793) 13.995 3.228 ( 2.675 11.041 6.314) 12.997 3.348 ( 0.874 18.953 8.862) 20.941 3.512 ( -2.761 15.261 -0.351) 15.513 3.594 ( 2.356 25.315 -8.253) 26.730 3.644 ( -2.345 22.619 -9.554) 24.665 3.749 ( -6.109 9.390 -5.059) 12.291 3.840 ( -7.731 0.783 -6.724) 10.276 3.879 ( -11.237 11.292 -0.966) 15.960 4.195 ( -7.263 10.858 -3.897) 13.632 4.587 ( -0.665 -0.088 5.351) 5.393 4.666 ( 2.651 -2.196 2.628) 4.331 4.720 ( 1.559 0.881 1.740) 2.496 4.746 ( 2.909 -3.677 2.930) 5.529 4.866 ( -4.081 -3.499 2.128) 5.782 4.932 ( -6.121 -2.030 -0.381) 6.460 5.414 ( 4.893 -4.172 -0.436) 6.445 5.461 ( 3.159 -1.063 -1.538) 3.671 5.544 ( 0.665 2.046 3.324) 3.959 5.732 ( 7.657 -1.102 -3.927) 8.675 5.940 ( -10.021 -3.549 4.166) 11.418 6.184 ( -1.733 -6.229 -5.505) 8.491 7.156 ( 4.030 -2.692 3.103) 5.755 7.315 ( -1.400 -7.982 0.295) 8.109 7.389 ( 4.882 -0.903 -5.585) 7.473 7.529 ( 1.449 -2.793 -3.533) 4.731 7.803 ( 3.671 4.843 -0.673) 6.114 7.837 ( 3.355 1.635 -1.392) 3.984 8.001 ( -1.255 13.700 1.352) 13.824 8.048 ( -2.890 8.115 -1.211) 8.699 8.696 ( 3.257 15.740 1.794) 16.173 8.744 ( 4.338 11.510 0.318) 12.305 8.890 ( 7.408 5.920 6.090) 11.270 8.994 ( -1.024 3.275 1.449) 3.725 9.048 ( 0.428 14.389 2.604) 14.629 9.153 ( 1.195 7.373 -1.280) 7.578 9.279 ( -0.269 1.976 1.007) 2.234 9.433 ( -2.939 4.557 -2.730) 6.071 9.585 ( 1.666 -9.284 0.001) 9.433 9.624 ( -0.942 -9.153 -0.271) 9.205 10.168 ( 1.170 -5.766 1.596) 6.096 10.270 ( 11.558 7.116 1.214) 13.627 10.328 ( -5.135 -4.811 -1.350) 7.165 10.371 ( 6.193 8.738 -0.932) 10.751 10.703 ( -4.303 6.831 -2.255) 8.382 10.742 ( -4.721 3.784 -6.135) 8.617 11.051 ( -7.397 -5.688 4.564) 10.387 11.082 ( -2.358 -5.703 -1.479) 6.346 11.335 ( -2.723 -0.174 -1.267) 3.009 11.432 ( 1.047 -0.484 4.863) 4.998 11.534 ( -2.310 2.309 1.611) 3.642 11.728 ( -7.820 2.399 -8.580) 11.854 12.108 ( -1.754 5.638 3.498) 6.863 12.152 ( -3.426 3.948 -0.122) 5.228 12.644 ( -0.955 -13.487 3.908) 14.075 12.834 ( -7.056 -9.670 -2.880) 12.312 13.007 ( 3.004 -16.356 -0.696) 16.644 13.064 ( 2.328 -12.192 -2.175) 12.601 15.107 ( 1.287 -3.267 -0.666) 3.574 15.154 ( 1.633 -3.163 -3.419) 4.936 15.324 ( 2.884 -6.053 3.472) 7.550 15.474 ( 0.631 -4.054 -1.624) 4.412 16.110 ( -1.646 -13.481 0.413) 13.587 16.185 ( -2.143 -15.870 -0.989) 16.045 16.338 ( 0.129 -16.143 2.970) 16.415 16.387 ( 0.049 -16.173 1.850) 16.278 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 13.880 12.943 6.881) 20.187 1.500 ( 15.895 13.821 9.318) 23.032 1.724 ( -11.654 9.296 2.402) 15.100 1.854 ( -15.081 11.226 2.684) 18.991 2.013 ( 2.076 7.608 -10.753) 13.335 2.090 ( -1.094 10.873 -11.124) 15.593 2.151 ( 4.709 9.727 -10.718) 15.220 2.308 ( -7.051 17.886 -6.078) 20.164 2.497 ( 2.011 21.876 2.313) 22.089 2.539 ( -2.332 19.647 0.687) 19.797 2.618 ( 6.305 9.428 5.528) 12.618 2.658 ( 7.072 11.284 2.865) 13.622 2.710 ( -1.247 13.833 0.819) 13.914 2.809 ( -2.032 4.240 6.183) 7.768 2.882 ( 5.089 13.311 3.053) 14.574 2.921 ( -0.584 9.694 7.127) 12.047 2.979 ( 8.004 25.258 7.714) 27.596 3.072 ( 4.577 12.012 3.508) 13.325 3.192 ( 7.606 11.875 -4.427) 14.781 3.237 ( -1.648 15.490 3.920) 16.063 3.371 ( 1.091 15.408 4.115) 15.985 3.441 ( -1.868 9.126 3.705) 10.025 3.513 ( -5.067 14.488 -3.888) 15.833 3.580 ( -8.319 21.298 -2.282) 22.979 3.637 ( -8.617 6.611 -4.191) 11.641 3.664 ( -7.743 15.506 -2.802) 17.557 3.810 ( 9.904 21.110 -18.345) 29.670 4.021 ( -10.919 16.490 -14.331) 24.423 4.580 ( 2.283 0.787 6.671) 7.095 4.672 ( -5.451 1.551 4.033) 6.956 4.761 ( 1.793 -5.191 2.380) 5.985 4.771 ( 2.795 -1.250 4.229) 5.221 4.820 ( -0.373 -1.235 0.428) 1.360 4.847 ( -3.153 -3.544 1.098) 4.869 5.478 ( 1.845 -4.292 -0.385) 4.688 5.492 ( 0.256 -3.291 -0.236) 3.309 5.627 ( 6.571 0.776 4.761) 8.152 5.764 ( -7.916 -0.986 5.862) 9.900 5.905 ( 9.765 -3.158 -5.383) 11.589 6.083 ( -8.073 -4.554 -6.318) 11.218 7.230 ( 3.388 -5.797 0.530) 6.735 7.282 ( -2.116 -7.461 -0.325) 7.763 7.499 ( 5.554 -1.081 -3.573) 6.692 7.557 ( 0.072 -2.247 -3.543) 4.196 7.829 ( 0.189 5.429 0.363) 5.445 7.857 ( -1.647 3.422 -0.094) 3.799 7.995 ( 0.329 12.054 0.576) 12.072 8.002 ( -0.987 9.576 -0.031) 9.627 8.791 ( 6.920 15.199 3.046) 16.976 8.864 ( 5.357 14.506 0.598) 15.475 8.935 ( -2.716 12.290 3.265) 13.003 8.985 ( -2.093 9.203 1.711) 9.592 9.138 ( 4.949 4.513 -0.803) 6.745 9.180 ( 5.291 9.459 -0.940) 10.879 9.233 ( -3.018 2.381 1.014) 3.976 9.343 ( -6.318 8.838 -2.233) 11.091 9.614 ( 5.018 -8.797 2.464) 10.423 9.680 ( 0.460 -9.227 1.786) 9.410 10.171 ( 0.946 -11.511 -0.100) 11.551 10.223 ( -4.310 -10.176 -1.048) 11.101 10.500 ( 3.645 4.721 2.011) 6.295 10.506 ( 10.114 5.653 2.826) 11.926 10.598 ( -6.672 -0.563 -2.260) 7.067 10.671 ( -2.008 -0.376 -1.164) 2.351 10.943 ( 3.166 1.140 2.683) 4.304 11.081 ( 1.214 -4.105 -3.911) 5.799 11.223 ( -6.807 1.732 -5.043) 8.647 11.266 ( -16.538 3.835 -4.666) 17.607 11.542 ( 2.870 2.926 6.046) 7.304 11.601 ( -3.396 4.557 4.027) 6.965 12.130 ( 1.564 6.296 -1.674) 6.700 12.136 ( 1.178 6.318 -1.481) 6.596 12.636 ( 0.847 -13.346 1.768) 13.490 12.701 ( -5.897 -12.048 -0.342) 13.418 13.060 ( 2.084 -15.712 -0.979) 15.880 13.083 ( -0.266 -14.197 -1.576) 14.287 15.148 ( 2.664 -2.559 0.326) 3.709 15.179 ( 0.036 -3.097 -0.900) 3.225 15.388 ( 3.677 -5.720 1.938) 7.071 15.455 ( -2.727 -5.111 0.259) 5.799 16.097 ( 0.577 -14.235 -1.496) 14.325 16.132 ( -2.801 -14.993 -1.822) 15.361 16.354 ( 1.355 -15.124 1.821) 15.294 16.379 ( -1.009 -15.111 1.109) 15.185 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 17.808 4.945) 18.482 1.599 ( 0.000 17.656 3.393) 17.980 1.968 ( 0.000 10.125 -5.632) 11.586 2.105 ( 0.000 12.160 -12.619) 17.525 2.251 ( 0.000 2.735 -4.997) 5.696 2.261 ( 0.000 0.506 6.932) 6.951 2.388 ( 0.000 3.821 -8.206) 9.052 2.470 ( 0.000 2.012 -0.604) 2.100 2.630 ( 0.000 6.484 -3.907) 7.570 2.659 ( 0.000 9.970 -2.398) 10.254 2.830 ( 0.000 8.944 11.679) 14.710 2.868 ( 0.000 12.731 1.676) 12.841 3.005 ( 0.000 13.015 -0.181) 13.016 3.111 ( 0.000 21.352 2.840) 21.540 3.122 ( 0.000 20.596 1.821) 20.676 3.225 ( 0.000 7.360 -0.472) 7.375 3.235 ( 0.000 17.124 4.356) 17.669 3.349 ( 0.000 6.932 7.349) 10.103 3.387 ( 0.000 26.870 -0.467) 26.874 3.554 ( 0.000 20.693 11.207) 23.533 3.608 ( 0.000 17.871 4.066) 18.328 3.778 ( 0.000 1.182 -9.199) 9.275 3.935 ( 0.000 0.753 -5.273) 5.327 3.988 ( 0.000 17.863 4.731) 18.479 4.102 ( 0.000 27.327 -13.697) 30.567 4.249 ( 0.000 28.018 -4.945) 28.451 4.378 ( 0.000 23.893 0.216) 23.894 4.520 ( 0.000 13.387 -2.970) 13.713 4.523 ( 0.000 -8.522 4.154) 9.480 4.575 ( 0.000 -1.786 1.696) 2.463 4.729 ( 0.000 7.986 1.645) 8.154 4.776 ( 0.000 -1.208 -1.448) 1.886 4.873 ( 0.000 10.658 2.774) 11.013 5.020 ( 0.000 3.826 -2.573) 4.610 5.277 ( 0.000 -2.757 4.084) 4.927 5.431 ( 0.000 0.211 -2.852) 2.860 5.617 ( 0.000 4.793 1.243) 4.951 5.667 ( 0.000 2.289 -0.968) 2.485 6.022 ( 0.000 -4.567 -0.238) 4.573 6.043 ( 0.000 -0.701 -1.502) 1.657 7.083 ( 0.000 -3.579 2.591) 4.419 7.154 ( 0.000 -6.982 7.349) 10.137 7.293 ( 0.000 -2.810 -7.072) 7.609 7.456 ( 0.000 -5.066 -2.431) 5.619 7.818 ( 0.000 4.624 -0.351) 4.637 7.855 ( 0.000 3.650 -2.738) 4.562 8.182 ( 0.000 2.527 1.034) 2.730 8.233 ( 0.000 6.631 -0.899) 6.691 8.710 ( 0.000 -3.411 2.575) 4.274 8.771 ( 0.000 -4.449 -0.985) 4.557 8.857 ( 0.000 -9.234 7.079) 11.635 9.048 ( 0.000 4.587 2.446) 5.198 9.197 ( 0.000 2.746 -3.791) 4.680 9.236 ( 0.000 -5.223 -6.186) 8.096 9.264 ( 0.000 0.405 1.128) 1.199 9.350 ( 0.000 -5.717 -3.637) 6.776 9.530 ( 0.000 11.734 5.557) 12.983 9.745 ( 0.000 12.543 -2.698) 12.830 10.213 ( 0.000 5.403 2.436) 5.927 10.388 ( 0.000 6.589 -4.499) 7.978 10.476 ( 0.000 4.570 8.535) 9.682 10.504 ( 0.000 19.233 2.854) 19.444 10.848 ( 0.000 -1.358 -1.957) 2.382 10.881 ( 0.000 2.351 -0.861) 2.504 11.057 ( 0.000 1.458 0.422) 1.518 11.104 ( 0.000 3.651 -3.557) 5.098 11.326 ( 0.000 -1.113 -3.134) 3.326 11.420 ( 0.000 6.532 9.859) 11.827 11.633 ( 0.000 1.813 3.525) 3.964 11.678 ( 0.000 -10.530 -16.088) 19.228 12.138 ( 0.000 -7.467 3.488) 8.241 12.224 ( 0.000 -0.408 -0.787) 0.887 12.389 ( 0.000 -11.846 11.333) 16.394 12.615 ( 0.000 -13.835 -3.457) 14.261 12.728 ( 0.000 -13.305 -5.616) 14.442 12.740 ( 0.000 -14.921 -3.514) 15.329 14.964 ( 0.000 -7.518 -1.020) 7.587 15.067 ( 0.000 -3.788 -5.234) 6.461 15.174 ( 0.000 -5.531 6.562) 8.582 15.396 ( 0.000 -3.269 -2.027) 3.846 15.861 ( 0.000 -16.729 0.560) 16.738 15.863 ( 0.000 -13.112 0.540) 13.123 15.976 ( 0.000 -18.321 1.898) 18.419 16.013 ( 0.000 -19.150 0.801) 19.166 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 4.883 17.273 5.305) 18.718 1.645 ( 4.729 16.303 3.768) 17.388 1.980 ( 0.591 8.757 -6.475) 10.907 2.130 ( 2.369 9.600 -8.673) 13.153 2.227 ( -4.714 6.401 -5.472) 9.651 2.240 ( -1.435 3.611 -7.025) 8.028 2.347 ( -1.427 2.934 5.340) 6.258 2.534 ( 1.990 9.722 1.132) 9.988 2.641 ( 8.203 -0.562 0.927) 8.274 2.743 ( 0.075 8.862 -5.979) 10.690 2.797 ( -1.786 8.421 0.748) 8.641 2.866 ( 2.700 8.772 8.445) 12.472 3.040 ( 0.734 18.644 0.205) 18.659 3.054 ( -4.788 11.876 2.356) 13.020 3.106 ( 0.269 17.869 1.569) 17.940 3.172 ( -0.827 19.023 3.822) 19.421 3.203 ( -3.432 6.063 1.789) 7.193 3.282 ( -3.257 12.836 -0.258) 13.246 3.474 ( 3.543 17.641 1.379) 18.046 3.602 ( 0.851 30.054 6.189) 30.697 3.643 ( 1.576 7.080 3.096) 7.886 3.764 ( 1.730 6.422 -4.940) 8.285 3.873 ( -4.538 6.324 -1.081) 7.859 3.920 ( -6.375 16.836 5.072) 18.703 4.141 ( 2.468 26.061 -9.984) 28.017 4.216 ( -1.467 25.994 -7.456) 27.082 4.320 ( -6.144 25.852 1.121) 26.596 4.492 ( -3.100 6.900 -4.989) 9.062 4.543 ( 2.326 3.930 3.806) 5.945 4.609 ( 2.974 -1.624 1.223) 3.603 4.773 ( 3.960 8.792 1.845) 9.817 4.784 ( -1.281 -3.315 1.372) 3.810 4.844 ( -1.455 9.937 0.630) 10.062 4.961 ( -4.538 7.921 -2.389) 9.436 5.315 ( 3.070 -4.400 2.978) 6.136 5.435 ( 0.031 -1.284 -2.071) 2.437 5.622 ( 1.384 5.435 1.908) 5.924 5.723 ( 5.007 0.187 -2.314) 5.519 5.906 ( -6.818 0.311 2.903) 7.417 6.079 ( -0.908 -3.706 -4.169) 5.652 7.093 ( 0.854 -4.896 3.000) 5.805 7.149 ( -0.477 -6.616 5.725) 8.762 7.338 ( 4.283 -3.279 -5.365) 7.608 7.456 ( 0.819 -4.949 -2.784) 5.738 7.867 ( 0.610 1.582 -0.664) 1.820 7.898 ( 6.097 4.684 -1.915) 7.923 8.143 ( -3.696 2.105 1.016) 4.373 8.212 ( -1.603 7.020 -1.908) 7.449 8.789 ( 6.137 -7.058 1.392) 9.455 8.843 ( 8.621 -1.743 -0.441) 8.806 8.912 ( 6.212 -0.427 6.225) 8.805 9.079 ( 4.123 2.463 3.705) 6.066 9.228 ( -0.431 1.189 -1.270) 1.792 9.259 ( 1.564 4.157 -2.011) 4.876 9.317 ( 4.727 -6.800 -2.137) 8.553 9.383 ( 3.583 -10.496 -3.037) 11.499 9.507 ( -0.182 17.595 4.139) 18.076 9.715 ( -3.034 13.937 -2.572) 14.494 10.130 ( -7.636 1.662 1.700) 7.997 10.214 ( -12.410 -3.878 1.190) 13.057 10.548 ( 2.632 6.786 2.539) 7.709 10.590 ( 8.149 17.864 1.283) 19.677 10.758 ( -9.111 -1.552 -1.725) 9.402 10.779 ( -8.043 1.216 -1.057) 8.203 11.010 ( -3.730 1.646 2.676) 4.877 11.114 ( 1.416 7.697 -5.640) 9.647 11.353 ( 1.661 1.205 -2.999) 3.634 11.488 ( 3.300 6.675 8.901) 11.605 11.570 ( -2.191 0.022 -3.019) 3.730 11.744 ( 0.790 -1.516 -6.205) 6.436 12.103 ( -1.437 -6.310 3.785) 7.497 12.156 ( -2.658 -5.424 1.107) 6.141 12.378 ( -2.171 -10.389 5.267) 11.848 12.603 ( -8.598 -11.790 -4.021) 15.136 12.654 ( 2.721 -16.614 -1.546) 16.907 12.776 ( 0.103 -15.870 -4.231) 16.424 14.994 ( 2.910 -7.016 -1.005) 7.662 15.083 ( 1.408 -3.789 -4.781) 6.261 15.201 ( 2.658 -5.808 6.049) 8.797 15.391 ( -0.863 -4.067 -0.842) 4.242 15.820 ( -2.534 -14.611 0.429) 14.835 15.853 ( -1.987 -16.302 0.245) 16.424 15.989 ( 1.491 -17.558 1.670) 17.700 16.036 ( 1.671 -17.704 0.082) 17.783 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 8.539 12.987 3.747) 15.988 1.778 ( 8.843 13.019 5.456) 16.657 1.921 ( -5.437 9.490 -1.680) 11.065 2.066 ( -13.427 9.053 0.917) 16.220 2.169 ( 2.622 8.034 -6.731) 10.804 2.242 ( -3.176 7.031 -5.793) 9.648 2.347 ( 10.090 7.475 -8.313) 15.059 2.578 ( -10.696 8.680 -8.084) 15.972 2.697 ( 8.813 3.507 7.810) 12.287 2.770 ( 2.806 4.375 3.130) 6.067 2.843 ( 3.321 5.420 5.666) 8.516 2.886 ( -3.721 5.976 5.418) 8.884 2.984 ( 0.237 15.101 3.636) 15.534 3.025 ( -2.852 19.151 2.076) 19.473 3.113 ( -0.026 8.140 -1.890) 8.356 3.160 ( -0.937 16.347 -1.625) 16.454 3.233 ( 5.997 12.818 -0.258) 14.153 3.303 ( 8.417 4.070 -5.917) 11.065 3.421 ( -9.418 4.663 -2.455) 10.792 3.512 ( -9.740 4.139 -5.874) 12.104 3.670 ( 4.481 21.714 6.365) 23.067 3.779 ( -6.754 18.998 7.133) 21.388 3.845 ( 5.275 23.110 4.686) 24.163 3.893 ( 3.272 19.906 4.321) 20.631 4.111 ( -2.652 24.342 -3.298) 24.707 4.165 ( -7.835 27.108 1.240) 28.245 4.287 ( 6.369 21.932 -10.919) 25.314 4.408 ( -5.636 14.201 -7.750) 17.132 4.603 ( 3.640 4.704 3.511) 6.907 4.656 ( 0.093 -0.173 2.211) 2.220 4.733 ( -0.405 1.701 -0.513) 1.822 4.793 ( -4.293 2.179 -1.244) 4.973 4.856 ( 3.630 10.774 2.104) 11.563 4.904 ( -1.677 11.481 0.367) 11.608 5.373 ( 2.866 -5.045 0.814) 5.859 5.419 ( -1.724 -3.644 -0.870) 4.124 5.675 ( 3.937 3.901 3.060) 6.331 5.761 ( -4.400 0.480 2.728) 5.199 5.872 ( 6.352 0.202 -2.428) 6.804 6.006 ( -6.234 -2.896 -4.657) 8.303 7.112 ( 1.193 -6.171 3.244) 7.073 7.135 ( -1.030 -6.484 3.866) 7.620 7.431 ( 4.566 -4.727 -3.670) 7.528 7.477 ( 0.141 -5.420 -3.580) 6.497 7.875 ( 1.207 1.159 1.105) 2.006 7.933 ( -3.373 3.677 -1.369) 5.174 8.124 ( 2.913 3.156 -0.519) 4.326 8.180 ( -2.139 6.275 -2.623) 7.130 8.945 ( 8.884 -3.778 2.701) 10.024 9.011 ( 4.659 2.609 -0.948) 5.423 9.033 ( 7.092 0.106 3.812) 8.052 9.142 ( -1.960 2.277 2.102) 3.667 9.236 ( -1.476 2.263 1.221) 2.965 9.261 ( -4.802 -3.607 1.329) 6.151 9.344 ( 11.177 3.908 3.224) 12.271 9.488 ( 0.880 -1.662 2.030) 2.767 9.566 ( 4.727 12.446 -3.803) 13.845 9.642 ( -3.902 14.875 -2.872) 15.644 9.985 ( -5.010 -8.058 -0.362) 9.495 10.010 ( -7.428 -9.299 0.036) 11.902 10.499 ( -4.096 -5.059 1.079) 6.598 10.551 ( -9.232 -4.170 -1.074) 10.186 10.722 ( 2.378 10.472 0.676) 10.760 10.750 ( 2.960 10.477 0.139) 10.888 11.005 ( 6.567 5.868 2.068) 9.046 11.140 ( -0.928 8.249 -4.336) 9.365 11.337 ( -2.714 7.671 -5.366) 9.747 11.377 ( -9.622 6.579 -4.629) 12.542 11.629 ( 4.526 5.632 7.710) 10.567 11.699 ( -3.074 5.049 5.903) 8.354 12.166 ( 5.302 -6.643 -0.095) 8.500 12.185 ( 5.285 -3.289 -2.212) 6.607 12.313 ( -3.167 -16.005 2.177) 16.460 12.411 ( -10.427 -14.143 -1.343) 17.622 12.707 ( 2.604 -17.126 -2.024) 17.441 12.753 ( -2.061 -16.958 -3.195) 17.379 15.059 ( 3.314 -6.030 -1.238) 6.991 15.098 ( -0.473 -4.939 -2.852) 5.723 15.270 ( 4.339 -5.430 4.215) 8.129 15.350 ( -3.500 -4.911 1.737) 6.276 15.788 ( -0.376 -15.547 -0.573) 15.562 15.807 ( -2.139 -16.318 -0.584) 16.468 16.026 ( 2.033 -16.417 0.877) 16.565 16.052 ( -0.325 -16.399 -0.029) 16.402 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 0.000 12.849 1.118) 12.897 1.902 ( 0.000 12.279 -0.337) 12.284 2.147 ( 0.000 7.271 0.654) 7.301 2.272 ( 0.000 0.571 3.521) 3.567 2.280 ( 0.000 2.210 -3.688) 4.299 2.362 ( 0.000 10.318 -8.781) 13.548 2.466 ( 0.000 -1.229 -0.525) 1.336 2.467 ( 0.000 4.315 -6.411) 7.728 2.787 ( 0.000 8.967 -2.552) 9.323 2.824 ( 0.000 5.010 7.808) 9.278 2.965 ( 0.000 8.345 -0.974) 8.401 3.002 ( 0.000 3.328 5.718) 6.616 3.273 ( 0.000 10.797 2.330) 11.045 3.292 ( 0.000 1.492 3.159) 3.494 3.420 ( 0.000 3.813 0.716) 3.880 3.449 ( 0.000 7.331 4.915) 8.826 3.541 ( 0.000 15.522 -2.110) 15.664 3.567 ( 0.000 16.266 4.529) 16.885 3.630 ( 0.000 3.763 2.313) 4.417 3.751 ( 0.000 7.735 -3.770) 8.605 3.834 ( 0.000 6.957 -8.536) 11.012 3.919 ( 0.000 -1.111 -4.625) 4.756 4.201 ( 0.000 2.578 6.842) 7.312 4.279 ( 0.000 14.854 7.390) 16.590 4.402 ( 0.000 12.451 3.265) 12.872 4.437 ( 0.000 -2.117 -1.022) 2.351 4.564 ( 0.000 0.918 -4.826) 4.913 4.584 ( 0.000 7.138 -3.463) 7.934 4.857 ( 0.000 19.990 -5.368) 20.698 4.859 ( 0.000 3.917 -1.041) 4.053 4.874 ( 0.000 23.725 -0.662) 23.734 4.923 ( 0.000 18.974 -3.274) 19.255 5.216 ( 0.000 16.634 5.234) 17.438 5.230 ( 0.000 14.836 0.077) 14.837 5.351 ( 0.000 15.088 0.390) 15.093 5.495 ( 0.000 8.511 -3.956) 9.385 5.727 ( 0.000 3.921 0.508) 3.954 5.755 ( 0.000 9.056 -0.058) 9.057 5.976 ( 0.000 -0.319 2.923) 2.940 6.054 ( 0.000 1.266 -0.189) 1.280 6.951 ( 0.000 -6.007 7.355) 9.497 7.086 ( 0.000 -2.529 2.989) 3.916 7.240 ( 0.000 -2.578 -5.077) 5.694 7.310 ( 0.000 -8.777 -3.931) 9.617 7.919 ( 0.000 2.574 -0.016) 2.574 7.920 ( 0.000 5.135 0.111) 5.137 8.193 ( 0.000 -1.000 2.351) 2.554 8.307 ( 0.000 1.309 -2.601) 2.912 8.569 ( 0.000 -6.942 2.078) 7.246 8.689 ( 0.000 -1.859 -4.296) 4.681 8.743 ( 0.000 -1.701 6.783) 6.993 9.026 ( 0.000 -9.568 -1.876) 9.750 9.042 ( 0.000 -4.516 -0.340) 4.529 9.161 ( 0.000 -6.194 -5.842) 8.514 9.277 ( 0.000 1.047 2.137) 2.380 9.382 ( 0.000 7.687 -2.855) 8.200 9.824 ( 0.000 11.052 1.876) 11.210 10.013 ( 0.000 13.472 -3.173) 13.840 10.314 ( 0.000 1.019 2.637) 2.827 10.467 ( 0.000 1.406 -3.990) 4.230 10.476 ( 0.000 -1.993 15.004) 15.136 10.733 ( 0.000 -8.280 5.011) 9.678 10.833 ( 0.000 -0.469 3.052) 3.088 10.921 ( 0.000 12.305 1.640) 12.414 11.084 ( 0.000 -12.097 -8.089) 14.552 11.166 ( 0.000 6.352 -6.176) 8.859 11.317 ( 0.000 1.229 -2.750) 3.012 11.406 ( 0.000 -7.508 -11.448) 13.691 11.646 ( 0.000 -0.526 7.636) 7.654 11.655 ( 0.000 10.853 6.796) 12.805 11.940 ( 0.000 -11.603 8.237) 14.230 12.162 ( 0.000 -5.157 -3.470) 6.216 12.175 ( 0.000 -5.802 3.987) 7.040 12.342 ( 0.000 -18.119 -4.485) 18.666 12.482 ( 0.000 -4.813 -3.380) 5.881 12.510 ( 0.000 -9.380 -6.564) 11.449 14.822 ( 0.000 -5.900 -0.372) 5.912 15.004 ( 0.000 -2.219 -8.076) 8.375 15.076 ( 0.000 -3.995 8.130) 9.059 15.331 ( 0.000 -3.231 -1.271) 3.472 15.539 ( 0.000 -15.495 3.656) 15.921 15.608 ( 0.000 -14.146 0.836) 14.170 15.657 ( 0.000 -14.359 -0.427) 14.365 15.661 ( 0.000 -9.810 -0.535) 9.824 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 3.411 12.441 1.048) 12.942 1.930 ( 2.987 11.735 0.250) 12.112 2.132 ( -1.718 6.212 -2.000) 6.748 2.260 ( 0.063 2.718 -0.968) 2.886 2.298 ( 0.204 1.492 1.797) 2.345 2.367 ( 0.813 8.319 -10.423) 13.361 2.426 ( -0.694 4.093 0.972) 4.264 2.605 ( 8.265 -1.322 -2.990) 8.888 2.737 ( -0.948 9.040 3.764) 9.838 2.888 ( 3.380 3.145 -0.815) 4.688 2.910 ( -0.964 8.021 -1.266) 8.178 2.991 ( -7.138 5.795 8.402) 12.455 3.206 ( 0.240 1.908 1.247) 2.292 3.288 ( -5.496 8.956 -0.822) 10.540 3.344 ( -1.823 6.509 4.870) 8.331 3.426 ( -0.608 10.385 -1.539) 10.516 3.515 ( -4.409 10.838 -0.050) 11.701 3.559 ( -1.837 14.389 1.795) 14.617 3.685 ( -3.902 7.604 -4.210) 9.527 3.738 ( -0.648 7.687 -0.704) 7.746 3.860 ( 7.662 2.875 -1.327) 8.290 3.905 ( 0.144 4.362 0.454) 4.388 4.154 ( -5.359 4.950 6.832) 9.995 4.275 ( 0.371 5.511 4.855) 7.354 4.417 ( 1.858 15.799 2.049) 16.039 4.460 ( 0.648 -3.023 -2.673) 4.087 4.559 ( -0.075 1.761 -3.381) 3.813 4.630 ( 4.144 13.295 -3.194) 14.288 4.814 ( -0.915 13.047 -0.199) 13.080 4.847 ( -3.238 21.650 1.748) 21.961 4.907 ( 2.410 12.363 -8.205) 15.033 4.976 ( 3.351 14.343 -3.086) 15.049 5.168 ( -1.355 19.432 2.567) 19.648 5.259 ( 0.100 16.491 2.062) 16.620 5.358 ( 0.944 14.161 0.306) 14.196 5.482 ( -1.401 8.711 -3.188) 9.381 5.744 ( 1.619 3.707 0.301) 4.056 5.767 ( 1.215 7.729 -0.160) 7.826 5.937 ( -2.932 2.091 3.862) 5.281 6.042 ( -1.935 -0.121 -0.796) 2.096 6.960 ( 1.017 -5.788 6.568) 8.813 7.066 ( -1.868 -3.448 3.187) 5.053 7.274 ( 3.041 -3.108 -4.428) 6.206 7.321 ( 1.235 -7.989 -3.735) 8.905 7.905 ( -0.766 2.469 1.412) 2.945 7.992 ( 6.235 4.361 -1.735) 7.804 8.163 ( -4.006 1.047 1.807) 4.518 8.309 ( 0.057 2.668 -4.418) 5.161 8.607 ( 5.567 -8.427 3.443) 10.670 8.759 ( 7.317 -4.504 -2.798) 9.037 8.864 ( 10.160 -2.958 6.805) 12.581 9.062 ( 3.218 -3.199 -0.320) 4.549 9.110 ( 2.996 -7.766 -1.952) 8.549 9.163 ( 2.545 -7.250 -1.654) 7.860 9.320 ( 4.675 2.429 0.552) 5.297 9.419 ( 4.757 7.823 -3.472) 9.792 9.802 ( -2.318 7.567 0.936) 7.969 10.001 ( -1.635 12.756 -3.786) 13.406 10.105 ( -16.704 -3.008 3.980) 17.434 10.191 ( -15.010 0.695 0.421) 15.032 10.537 ( -8.165 -5.197 7.641) 12.331 10.720 ( -9.514 -2.544 0.205) 9.850 10.806 ( 3.736 1.788 2.721) 4.956 10.942 ( 4.004 13.743 1.088) 14.355 11.053 ( -0.349 -1.786 -0.833) 2.001 11.262 ( 6.082 2.308 -7.917) 10.247 11.339 ( 3.759 -4.074 -3.131) 6.367 11.459 ( 3.925 -4.544 -9.377) 11.135 11.682 ( 2.979 7.674 7.917) 11.422 11.726 ( 6.305 1.681 6.896) 9.494 11.911 ( -2.814 -12.788 6.535) 14.635 12.020 ( -8.980 -1.533 0.463) 9.121 12.184 ( -3.142 -9.121 0.385) 9.655 12.282 ( -6.304 -18.224 -3.036) 19.521 12.469 ( -0.532 -4.566 -4.442) 6.393 12.508 ( -0.515 -9.421 -6.108) 11.239 14.858 ( 3.346 -5.861 -0.952) 6.816 15.001 ( -0.284 -4.232 -5.642) 7.058 15.109 ( 2.981 -3.099 5.292) 6.819 15.304 ( -2.343 -4.971 -0.765) 5.548 15.523 ( -1.406 -14.920 3.091) 15.301 15.572 ( -3.521 -10.451 2.960) 11.418 15.666 ( 3.097 -13.702 -1.400) 14.117 15.720 ( 3.013 -12.238 -0.924) 12.638 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 4.200 10.238 0.574) 11.081 2.009 ( 3.569 9.763 2.633) 10.723 2.087 ( -0.759 6.843 -4.160) 8.044 2.196 ( -7.614 4.255 -2.646) 9.115 2.315 ( 2.809 5.494 1.133) 6.273 2.381 ( -3.491 5.192 1.042) 6.343 2.464 ( 9.466 5.043 -4.214) 11.524 2.655 ( -6.610 -0.692 -1.288) 6.769 2.818 ( 5.158 7.625 -2.092) 9.440 2.835 ( -0.284 3.993 0.218) 4.009 2.933 ( -0.437 3.195 3.497) 4.757 2.955 ( 2.278 6.155 3.736) 7.552 3.165 ( -0.667 4.129 0.203) 4.187 3.261 ( 1.546 4.702 -4.408) 6.628 3.312 ( -5.203 6.199 5.571) 9.825 3.381 ( -6.095 7.992 2.092) 10.267 3.445 ( 3.803 9.325 -3.166) 10.557 3.529 ( -2.353 7.710 -0.773) 8.098 3.605 ( -1.778 15.388 -4.592) 16.157 3.655 ( -5.219 14.676 -2.292) 15.744 3.930 ( 3.768 7.943 6.182) 10.748 4.030 ( -5.613 7.428 7.158) 11.744 4.084 ( 10.163 1.058 2.628) 10.551 4.242 ( -5.112 0.275 3.128) 5.999 4.451 ( 0.927 3.291 -2.735) 4.378 4.457 ( -0.174 -1.616 -4.103) 4.413 4.594 ( 4.368 18.986 1.200) 19.519 4.690 ( -1.993 16.315 0.110) 16.437 4.766 ( -0.040 20.198 0.846) 20.216 4.810 ( -1.591 9.934 0.473) 10.072 4.957 ( 2.693 13.037 -8.380) 15.730 4.998 ( -1.052 12.321 -7.063) 14.241 5.186 ( 2.564 20.341 3.119) 20.737 5.235 ( -2.161 19.011 2.097) 19.248 5.393 ( 2.481 12.081 -0.012) 12.334 5.443 ( -2.562 10.074 -1.583) 10.514 5.775 ( 1.511 5.194 0.625) 5.445 5.792 ( 0.415 4.075 -0.194) 4.101 5.910 ( 1.295 2.990 2.865) 4.339 5.977 ( -4.393 0.260 -0.207) 4.406 6.988 ( 1.800 -5.336 5.219) 7.678 7.026 ( -2.131 -4.649 4.039) 6.517 7.330 ( 2.291 -5.045 -3.702) 6.664 7.346 ( 0.708 -7.110 -3.838) 8.111 7.920 ( 2.913 3.690 1.825) 5.043 8.013 ( -5.720 4.745 -0.773) 7.472 8.165 ( 6.265 1.531 -1.505) 6.622 8.273 ( -4.117 3.395 -4.827) 7.195 8.777 ( 10.155 -9.877 4.443) 14.846 8.903 ( 0.737 -9.612 2.780) 10.033 9.002 ( 7.963 -3.995 0.575) 8.928 9.122 ( -0.728 -2.429 -2.432) 3.513 9.149 ( 4.013 -2.969 2.925) 5.786 9.208 ( -1.148 -5.696 2.355) 6.270 9.468 ( 10.856 6.997 1.548) 13.008 9.556 ( 5.103 6.708 0.718) 8.459 9.751 ( -0.700 -5.734 -3.648) 6.832 9.821 ( -10.188 -5.513 -0.765) 11.610 9.931 ( -8.633 4.662 -2.811) 10.207 9.954 ( -5.082 13.152 -4.549) 14.816 10.367 ( -4.649 -5.044 6.497) 9.448 10.458 ( -12.719 -3.365 1.910) 13.294 10.902 ( 3.856 6.493 0.556) 7.572 10.955 ( -1.826 7.568 -1.341) 7.900 11.146 ( 8.764 5.095 2.509) 10.443 11.295 ( -4.129 2.521 -4.453) 6.575 11.444 ( 5.209 0.765 -2.605) 5.874 11.497 ( -0.559 3.848 -4.515) 5.959 11.744 ( 3.532 4.315 6.061) 8.236 11.813 ( -3.065 4.527 4.070) 6.815 11.881 ( 5.744 -14.266 5.384) 16.295 11.936 ( 0.845 -10.447 1.551) 10.595 12.080 ( -5.737 -11.098 -0.510) 12.503 12.126 ( -8.628 -15.808 -1.496) 18.072 12.473 ( 0.743 -6.368 -5.080) 8.180 12.492 ( -1.081 -8.309 -5.599) 10.077 14.931 ( 3.770 -5.991 -2.393) 7.472 14.985 ( -1.719 -5.781 -4.057) 7.269 15.179 ( 4.113 -3.822 3.273) 6.499 15.252 ( -3.248 -5.465 1.092) 6.450 15.498 ( -0.794 -13.079 2.623) 13.363 15.511 ( -2.270 -11.423 2.706) 11.956 15.729 ( 2.791 -12.232 -0.829) 12.573 15.755 ( 0.303 -12.180 -1.161) 12.239 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.000 8.866 -1.179) 8.944 2.095 ( 0.000 6.947 -1.052) 7.027 2.262 ( 0.000 3.361 -0.380) 3.382 2.291 ( 0.000 2.655 2.794) 3.854 2.310 ( 0.000 1.301 -3.186) 3.441 2.418 ( 0.000 -2.119 0.434) 2.163 2.528 ( 0.000 3.814 -3.926) 5.474 2.547 ( 0.000 2.737 -2.592) 3.770 2.928 ( 0.000 6.824 10.668) 12.664 2.963 ( 0.000 7.239 -2.318) 7.601 3.081 ( 0.000 5.593 6.903) 8.884 3.132 ( 0.000 6.090 -5.684) 8.330 3.293 ( 0.000 -0.072 3.762) 3.762 3.415 ( 0.000 4.425 5.920) 7.391 3.453 ( 0.000 0.818 -3.321) 3.420 3.535 ( 0.000 1.469 0.889) 1.717 3.626 ( 0.000 -1.054 -2.508) 2.721 3.745 ( 0.000 2.919 -3.252) 4.370 3.807 ( 0.000 5.589 4.517) 7.187 3.832 ( 0.000 -1.186 -7.377) 7.472 3.939 ( 0.000 4.066 -4.337) 5.945 4.004 ( 0.000 6.918 -1.466) 7.071 4.109 ( 0.000 -3.381 8.134) 8.809 4.348 ( 0.000 4.728 1.883) 5.089 4.398 ( 0.000 -3.255 -3.112) 4.503 4.441 ( 0.000 -3.872 -1.495) 4.150 4.634 ( 0.000 -3.176 0.752) 3.264 4.691 ( 0.000 -2.155 -0.238) 2.168 5.101 ( 0.000 23.440 2.488) 23.572 5.209 ( 0.000 14.520 0.250) 14.522 5.278 ( 0.000 13.668 1.520) 13.752 5.342 ( 0.000 17.953 -3.394) 18.271 5.514 ( 0.000 13.831 -3.473) 14.261 5.528 ( 0.000 14.465 -2.254) 14.640 5.747 ( 0.000 19.041 -3.613) 19.381 5.768 ( 0.000 15.618 -2.997) 15.903 5.853 ( 0.000 8.761 5.176) 10.176 5.966 ( 0.000 6.197 3.572) 7.153 5.991 ( 0.000 5.765 0.996) 5.850 6.072 ( 0.000 0.504 1.173) 1.277 6.893 ( 0.000 0.302 4.114) 4.125 7.032 ( 0.000 -2.270 3.741) 4.375 7.135 ( 0.000 -6.729 -5.493) 8.687 7.195 ( 0.000 -2.691 -2.571) 3.722 7.963 ( 0.000 1.765 2.958) 3.445 8.007 ( 0.000 3.039 0.770) 3.135 8.159 ( 0.000 -2.044 2.604) 3.311 8.299 ( 0.000 -2.350 -2.859) 3.701 8.516 ( 0.000 1.833 0.375) 1.871 8.679 ( 0.000 -0.507 -7.558) 7.575 8.760 ( 0.000 3.343 5.065) 6.068 8.912 ( 0.000 -0.133 1.054) 1.063 8.929 ( 0.000 -4.855 0.235) 4.860 9.069 ( 0.000 -2.855 -5.236) 5.964 9.337 ( 0.000 5.449 4.308) 6.946 9.551 ( 0.000 8.926 -5.049) 10.255 9.848 ( 0.000 -10.174 3.066) 10.626 10.217 ( 0.000 -6.394 7.114) 9.565 10.252 ( 0.000 7.073 -9.065) 11.498 10.405 ( 0.000 -10.557 -4.221) 11.370 10.506 ( 0.000 -1.314 3.278) 3.532 10.554 ( 0.000 -17.219 1.700) 17.303 10.593 ( 0.000 0.556 10.996) 11.010 10.823 ( 0.000 -8.703 -2.902) 9.174 11.163 ( 0.000 6.406 -0.019) 6.406 11.169 ( 0.000 -5.985 -3.662) 7.017 11.318 ( 0.000 -9.616 8.732) 12.989 11.432 ( 0.000 7.733 -2.360) 8.085 11.534 ( 0.000 -5.693 -1.143) 5.807 11.605 ( 0.000 -4.550 3.187) 5.556 11.902 ( 0.000 -15.136 -0.914) 15.163 12.039 ( 0.000 11.311 0.261) 11.314 12.140 ( 0.000 -0.129 -2.592) 2.595 12.173 ( 0.000 0.235 -0.661) 0.702 12.318 ( 0.000 -8.966 -2.218) 9.237 12.425 ( 0.000 -2.642 -4.802) 5.481 14.741 ( 0.000 -2.020 -0.582) 2.102 14.975 ( 0.000 -0.935 -10.491) 10.533 15.018 ( 0.000 -1.756 8.241) 8.426 15.228 ( 0.000 -12.121 1.630) 12.231 15.265 ( 0.000 -5.596 -1.277) 5.740 15.349 ( 0.000 -10.345 -3.747) 11.003 15.479 ( 0.000 -3.750 4.824) 6.110 15.543 ( 0.000 -3.159 2.228) 3.866 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 2.234 8.328 -1.458) 8.745 2.115 ( 2.307 6.758 -1.252) 7.250 2.238 ( -2.243 4.116 -1.521) 4.928 2.296 ( -0.423 1.425 -2.906) 3.264 2.317 ( 1.745 1.323 3.948) 4.515 2.446 ( 2.121 -1.215 2.378) 3.410 2.509 ( -1.389 4.002 -4.765) 6.376 2.590 ( 3.034 -0.727 -2.933) 4.282 2.878 ( -1.900 5.258 8.367) 10.063 2.991 ( 1.875 7.644 -2.624) 8.297 3.062 ( -1.192 5.810 6.645) 8.907 3.141 ( -4.478 8.886 -3.524) 10.556 3.253 ( 2.542 3.657 0.176) 4.458 3.393 ( -3.969 0.980 1.653) 4.410 3.418 ( -2.837 2.960 1.699) 4.438 3.522 ( 1.893 0.382 -0.207) 1.942 3.615 ( -8.055 1.264 -2.297) 8.471 3.748 ( -4.750 4.193 4.552) 7.801 3.794 ( 5.983 3.144 3.700) 7.706 3.855 ( 4.956 -1.463 -7.973) 9.501 3.975 ( -0.100 3.891 -2.187) 4.464 3.993 ( 1.380 8.494 -2.456) 8.949 4.164 ( 4.500 0.107 4.460) 6.337 4.301 ( -4.258 4.256 1.864) 6.302 4.372 ( -2.686 -3.501 -2.622) 5.133 4.428 ( -1.439 -3.411 -1.824) 4.127 4.655 ( 2.023 -5.892 0.468) 6.247 4.710 ( 1.453 -4.657 -0.505) 4.904 5.104 ( 0.583 22.734 2.360) 22.863 5.205 ( -0.427 13.325 0.466) 13.340 5.255 ( -1.540 15.771 0.451) 15.852 5.339 ( -0.827 16.269 -3.175) 16.596 5.541 ( 2.338 16.577 -2.460) 16.921 5.558 ( 2.694 13.993 -2.196) 14.419 5.752 ( 0.441 19.207 -3.498) 19.527 5.772 ( 0.336 16.636 -2.883) 16.887 5.863 ( 1.024 8.420 4.895) 9.793 5.957 ( -0.995 5.744 3.800) 6.959 5.985 ( -0.323 6.675 0.814) 6.732 6.057 ( -1.607 1.438 1.130) 2.435 6.897 ( 0.519 -0.415 3.964) 4.019 7.002 ( -2.532 -2.432 2.934) 4.575 7.164 ( 2.442 -6.438 -4.147) 8.038 7.212 ( 1.371 -3.450 -2.623) 4.546 7.971 ( 1.213 3.876 3.052) 5.080 8.061 ( 5.464 2.324 0.272) 5.944 8.205 ( 1.434 2.408 1.191) 3.045 8.321 ( 2.541 -0.967 -4.275) 5.067 8.499 ( 1.168 -1.860 2.737) 3.509 8.696 ( 1.789 -2.249 -6.438) 7.051 8.816 ( 3.347 -0.970 5.671) 6.656 8.956 ( 4.500 -5.751 0.635) 7.330 9.001 ( 5.915 -2.117 -0.068) 6.283 9.083 ( 2.266 -1.154 -2.431) 3.518 9.401 ( 6.774 5.698 2.555) 9.213 9.582 ( 3.687 8.218 -3.821) 9.784 9.723 ( -11.133 -12.205 1.427) 16.581 9.960 ( -17.862 -11.222 -0.229) 21.096 10.207 ( -12.081 -0.049 -1.992) 12.244 10.265 ( -2.474 9.925 -6.453) 12.095 10.490 ( -6.116 0.810 12.792) 14.202 10.677 ( -0.957 -1.010 2.348) 2.729 10.751 ( 10.211 -7.822 1.102) 12.910 10.767 ( 4.963 -18.057 -2.992) 18.964 11.101 ( -2.998 -1.153 -0.092) 3.214 11.190 ( 1.195 -7.619 -2.872) 8.229 11.274 ( -1.647 -4.561 6.105) 7.797 11.515 ( 0.563 -8.302 3.705) 9.108 11.538 ( 6.046 6.024 -3.378) 9.179 11.716 ( 7.867 -4.596 0.842) 9.150 11.859 ( -3.476 -9.507 0.018) 10.123 12.010 ( -3.554 9.107 0.813) 9.810 12.083 ( -5.032 2.118 -0.347) 5.471 12.127 ( -4.844 0.663 -0.061) 4.890 12.318 ( 0.446 -9.205 -3.883) 10.000 12.406 ( -1.708 -3.300 -5.368) 6.529 14.771 ( 2.868 -2.533 -1.573) 4.137 14.925 ( -2.521 -3.004 -4.455) 5.935 15.064 ( 1.825 -2.058 0.894) 2.892 15.181 ( -4.874 -7.227 -1.808) 8.902 15.248 ( 2.289 -10.250 3.439) 11.051 15.434 ( 0.894 -7.352 -2.199) 7.726 15.457 ( 2.187 -3.477 4.820) 6.332 15.562 ( 1.357 -4.310 1.344) 4.714 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 2.124 6.880 -1.199) 7.300 2.170 ( 1.416 6.328 -0.115) 6.485 2.202 ( 0.309 4.691 -4.100) 6.238 2.260 ( -3.150 2.451 -2.615) 4.772 2.376 ( 3.478 0.857 3.527) 5.027 2.436 ( -2.751 0.844 2.067) 3.543 2.533 ( 3.986 0.876 -0.660) 4.134 2.608 ( -2.060 -3.315 -1.274) 4.105 2.888 ( 1.604 3.230 3.564) 5.070 2.943 ( -4.719 4.260 -1.545) 6.542 3.084 ( 5.542 10.189 1.205) 11.662 3.158 ( 2.627 12.640 -0.370) 12.916 3.251 ( -1.785 4.854 -3.522) 6.257 3.326 ( -4.321 4.687 -2.816) 6.969 3.372 ( -0.691 -0.829 6.517) 6.606 3.450 ( -7.119 -0.241 4.282) 8.311 3.575 ( 3.914 3.242 -0.470) 5.104 3.655 ( -4.314 4.109 3.156) 6.742 3.853 ( 2.610 7.136 -2.245) 7.922 3.914 ( -3.533 6.583 -1.939) 7.718 4.036 ( 9.188 -0.389 -0.716) 9.224 4.069 ( 4.788 4.279 -1.095) 6.513 4.191 ( -3.697 7.725 1.465) 8.689 4.207 ( -5.086 1.784 2.767) 6.059 4.339 ( 1.211 -6.382 -2.221) 6.865 4.387 ( -2.708 -3.812 -2.001) 5.086 4.700 ( 2.247 -8.577 -0.516) 8.882 4.726 ( -0.196 -7.928 -0.933) 7.985 5.129 ( 1.987 20.085 2.293) 20.313 5.175 ( -2.527 15.693 2.180) 16.044 5.259 ( 1.923 15.847 -2.254) 16.122 5.305 ( -2.453 15.009 -2.991) 15.499 5.587 ( 1.962 17.575 -1.411) 17.741 5.599 ( 0.930 15.871 -1.702) 15.989 5.763 ( 0.709 19.300 -3.186) 19.574 5.774 ( -0.268 18.210 -2.901) 18.442 5.891 ( 1.868 7.189 4.215) 8.540 5.929 ( -1.888 6.052 3.728) 7.354 5.989 ( 0.873 6.344 1.021) 6.485 6.018 ( -2.047 4.121 1.197) 4.755 6.915 ( 1.456 -1.653 3.645) 4.259 6.952 ( -2.378 -2.307 3.150) 4.571 7.210 ( 1.983 -6.117 -3.248) 7.204 7.229 ( 0.061 -5.034 -2.809) 5.765 8.027 ( 4.738 6.664 2.024) 8.423 8.138 ( -6.092 7.597 0.177) 9.740 8.196 ( 7.888 1.859 -1.784) 8.298 8.329 ( -4.475 2.596 -4.790) 7.050 8.613 ( 9.672 -5.702 4.621) 12.142 8.755 ( -1.741 -4.497 1.130) 4.953 8.861 ( 7.377 -8.743 3.436) 11.944 9.030 ( -3.874 -7.863 3.245) 9.347 9.080 ( 5.535 -4.020 -2.934) 7.443 9.137 ( 1.257 -0.463 -0.826) 1.574 9.507 ( -5.097 -9.283 1.474) 10.692 9.559 ( 0.027 -4.243 0.272) 4.252 9.660 ( 1.662 -2.261 0.009) 2.806 9.796 ( 12.685 6.372 -7.032) 15.842 9.936 ( -15.458 -2.018 -0.241) 15.591 10.112 ( -14.379 3.700 -8.456) 17.086 10.430 ( 0.458 9.162 8.642) 12.603 10.502 ( -7.578 7.724 5.985) 12.365 10.911 ( 6.570 -9.061 -3.078) 11.608 10.954 ( 4.414 -10.471 -4.226) 12.124 11.083 ( 2.310 -8.676 3.025) 9.474 11.168 ( -3.796 -11.849 2.127) 12.622 11.320 ( 6.305 -9.173 3.558) 11.686 11.457 ( -6.069 -10.899 0.760) 12.498 11.682 ( 7.111 1.777 1.377) 7.458 11.781 ( -1.765 -1.467 -3.582) 4.254 11.868 ( 3.386 4.030 1.730) 5.541 11.922 ( -2.018 1.554 0.927) 2.711 11.985 ( -4.965 2.491 2.553) 6.114 12.017 ( -5.257 4.905 1.634) 7.373 12.338 ( 1.508 -7.457 -5.362) 9.307 12.371 ( -1.839 -5.080 -5.752) 7.892 14.834 ( 3.283 -3.373 -3.485) 5.856 14.886 ( -2.092 -3.695 -4.542) 6.218 15.081 ( 0.651 -6.619 -0.361) 6.660 15.109 ( -2.559 -8.210 -1.185) 8.681 15.308 ( 3.609 -4.307 5.296) 7.722 15.378 ( -3.614 -2.344 5.199) 6.752 15.542 ( 3.428 -6.647 -0.885) 7.531 15.576 ( -0.268 -5.844 -0.117) 5.852 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( 0.000 3.499 0.606) 3.551 2.210 ( 0.000 4.003 -2.731) 4.847 2.284 ( 0.000 0.609 -2.984) 3.046 2.338 ( 0.000 0.378 -3.763) 3.782 2.386 ( 0.000 0.795 3.462) 3.552 2.388 ( 0.000 5.000 1.972) 5.375 2.543 ( 0.000 -1.466 -0.693) 1.622 2.556 ( 0.000 -1.871 -1.011) 2.127 3.072 ( 0.000 4.184 0.831) 4.266 3.079 ( 0.000 6.575 7.138) 9.705 3.183 ( 0.000 2.552 4.686) 5.336 3.188 ( 0.000 0.387 0.289) 0.483 3.350 ( 0.000 6.249 2.996) 6.929 3.458 ( 0.000 0.640 0.977) 1.167 3.488 ( 0.000 1.829 -5.644) 5.933 3.545 ( 0.000 0.493 -1.400) 1.484 3.574 ( 0.000 -3.499 -5.230) 6.292 3.683 ( 0.000 -6.641 -4.205) 7.861 3.830 ( 0.000 -0.570 2.525) 2.589 3.838 ( 0.000 -1.802 5.463) 5.752 3.971 ( 0.000 0.367 0.862) 0.937 4.037 ( 0.000 5.868 -4.229) 7.234 4.231 ( 0.000 6.332 0.270) 6.338 4.294 ( 0.000 -7.934 -2.392) 8.286 4.382 ( 0.000 -1.218 -2.263) 2.570 4.391 ( 0.000 -2.653 -4.765) 5.453 4.628 ( 0.000 2.330 3.823) 4.477 4.636 ( 0.000 0.295 4.260) 4.270 5.376 ( 0.000 3.528 2.340) 4.234 5.417 ( 0.000 2.285 0.859) 2.441 5.511 ( 0.000 14.922 -0.040) 14.922 5.624 ( 0.000 9.464 -4.728) 10.579 5.777 ( 0.000 9.038 -2.748) 9.446 5.787 ( 0.000 11.240 -3.079) 11.654 5.953 ( 0.000 -1.058 3.354) 3.517 5.982 ( 0.000 1.868 3.274) 3.769 6.040 ( 0.000 9.167 -1.003) 9.221 6.043 ( 0.000 9.054 -1.942) 9.260 6.141 ( 0.000 7.687 1.514) 7.834 6.188 ( 0.000 7.527 -0.465) 7.541 6.934 ( 0.000 2.815 0.696) 2.900 7.021 ( 0.000 1.517 4.176) 4.444 7.040 ( 0.000 -3.130 -3.564) 4.743 7.142 ( 0.000 -2.700 -0.795) 2.815 7.989 ( 0.000 0.922 1.362) 1.645 8.030 ( 0.000 -0.611 -1.159) 1.310 8.124 ( 0.000 -1.000 3.091) 3.249 8.220 ( 0.000 -4.674 0.182) 4.678 8.611 ( 0.000 5.916 -2.319) 6.354 8.675 ( 0.000 0.786 -5.958) 6.010 8.840 ( 0.000 3.241 1.932) 3.773 8.936 ( 0.000 6.994 3.756) 7.939 8.991 ( 0.000 2.533 0.071) 2.534 9.051 ( 0.000 4.262 -3.785) 5.700 9.499 ( 0.000 10.014 4.981) 11.185 9.538 ( 0.000 -16.189 6.361) 17.394 9.745 ( 0.000 9.358 -4.772) 10.505 9.882 ( 0.000 -25.846 -4.542) 26.242 10.061 ( 0.000 -8.890 6.584) 11.062 10.301 ( 0.000 -8.852 -5.319) 10.327 10.402 ( 0.000 -3.916 1.124) 4.074 10.501 ( 0.000 4.956 -6.517) 8.187 10.609 ( 0.000 -11.676 5.316) 12.829 10.759 ( 0.000 9.570 11.265) 14.781 10.961 ( 0.000 -12.430 -8.028) 14.797 11.061 ( 0.000 -5.212 11.894) 12.986 11.258 ( 0.000 -1.030 -3.217) 3.378 11.410 ( 0.000 -10.356 -1.657) 10.488 11.548 ( 0.000 2.526 -2.516) 3.565 11.556 ( 0.000 2.922 -1.708) 3.385 11.804 ( 0.000 2.925 4.180) 5.102 12.053 ( 0.000 -7.938 -5.589) 9.708 12.189 ( 0.000 4.028 0.748) 4.097 12.211 ( 0.000 2.534 -0.061) 2.535 12.258 ( 0.000 2.086 1.013) 2.319 12.360 ( 0.000 -3.675 -3.050) 4.776 14.740 ( 0.000 1.842 -2.114) 2.804 14.932 ( 0.000 -5.104 -7.973) 9.467 15.004 ( 0.000 0.145 6.297) 6.299 15.034 ( 0.000 -4.240 -1.214) 4.410 15.187 ( 0.000 -2.840 -1.345) 3.142 15.198 ( 0.000 -4.675 -5.909) 7.535 15.458 ( 0.000 0.651 6.791) 6.822 15.504 ( 0.000 -1.199 4.238) 4.404 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 1.594 3.453 0.143) 3.806 2.231 ( 2.013 3.595 -2.770) 4.965 2.283 ( -0.230 1.132 -2.843) 3.068 2.330 ( -0.803 1.851 -3.256) 3.830 2.371 ( -0.695 2.814 2.711) 3.969 2.417 ( 2.223 0.095 2.748) 3.535 2.529 ( -1.331 -1.451 -1.773) 2.649 2.553 ( -0.756 -2.995 -1.426) 3.402 2.996 ( -2.707 6.368 6.104) 9.227 3.115 ( -2.247 3.260 2.397) 4.628 3.165 ( 2.294 5.087 3.419) 6.544 3.265 ( 2.707 0.357 1.813) 3.278 3.345 ( 1.599 3.423 2.063) 4.305 3.384 ( -4.456 1.496 -1.167) 4.843 3.494 ( 1.447 0.039 -1.428) 2.034 3.509 ( -0.815 4.557 0.112) 4.631 3.619 ( -6.083 0.075 -2.007) 6.406 3.721 ( 2.155 -5.236 -2.323) 6.121 3.762 ( 3.495 -3.801 -0.257) 5.170 3.898 ( 4.573 3.421 0.203) 5.714 4.033 ( 1.265 -2.620 -2.466) 3.814 4.036 ( 0.428 4.226 -2.834) 5.106 4.234 ( 2.239 3.619 1.167) 4.412 4.329 ( -3.482 -2.715 -2.252) 4.957 4.338 ( 2.950 -2.398 -1.315) 4.022 4.381 ( -2.321 -1.928 -4.306) 5.258 4.590 ( -3.608 0.912 4.415) 5.774 4.610 ( -2.439 -1.620 3.851) 4.838 5.379 ( 0.446 4.852 1.778) 5.187 5.429 ( 1.231 2.949 0.509) 3.235 5.481 ( -2.362 13.225 0.262) 13.437 5.592 ( -2.827 7.997 -3.705) 9.256 5.815 ( 3.184 9.949 -2.688) 10.786 5.824 ( 2.924 11.094 -2.651) 11.776 5.970 ( 1.486 0.326 2.728) 3.123 5.987 ( 0.642 2.459 2.444) 3.525 6.055 ( 1.427 9.976 -1.257) 10.156 6.060 ( 1.292 9.208 -1.130) 9.367 6.144 ( 0.209 7.682 1.410) 7.813 6.179 ( -0.904 7.572 -0.061) 7.626 6.927 ( -0.564 2.803 0.911) 3.000 6.986 ( -2.459 1.080 1.942) 3.314 7.065 ( 1.747 -3.653 -1.495) 4.316 7.137 ( -0.482 -4.001 -0.865) 4.122 8.053 ( 5.490 4.273 2.320) 7.334 8.093 ( 6.410 1.221 0.147) 6.526 8.208 ( 8.739 -2.164 1.238) 9.088 8.284 ( 6.112 -3.562 -1.465) 7.224 8.534 ( -4.965 4.954 -0.530) 7.033 8.666 ( -3.100 0.216 -6.905) 7.572 8.846 ( -0.834 2.792 2.443) 3.803 8.930 ( 0.230 3.735 2.141) 4.311 8.988 ( -0.554 0.030 2.623) 2.681 9.082 ( 2.773 1.185 -1.572) 3.401 9.422 ( -8.880 -14.364 4.184) 17.398 9.537 ( -3.083 -0.405 1.977) 3.684 9.652 ( -6.004 -4.935 0.469) 7.786 9.797 ( 0.941 7.867 -4.867) 9.298 10.193 ( 0.677 -4.953 -0.441) 5.019 10.277 ( 2.686 -10.399 0.785) 10.768 10.400 ( -2.398 -3.702 -5.094) 6.738 10.494 ( 0.735 -4.734 -2.083) 5.224 10.634 ( 2.798 -8.864 3.267) 9.853 10.774 ( 1.236 8.109 9.287) 12.391 10.930 ( -3.950 -8.289 -4.292) 10.135 10.993 ( -4.670 -5.895 5.799) 9.496 11.203 ( -2.078 -4.052 1.793) 4.894 11.347 ( -6.485 -11.057 0.343) 12.824 11.617 ( 7.544 3.612 -0.882) 8.410 11.673 ( 7.487 2.163 -3.624) 8.595 11.856 ( 5.330 3.404 3.098) 7.043 12.069 ( 0.123 -4.610 -5.669) 7.308 12.135 ( -4.672 2.743 1.837) 5.721 12.185 ( -4.887 1.606 1.199) 5.282 12.199 ( -2.848 1.259 0.257) 3.125 12.334 ( -2.579 -3.657 -3.957) 5.974 14.756 ( 1.606 0.931 -2.955) 3.490 14.875 ( -2.845 -2.637 -4.751) 6.134 15.002 ( -2.856 -3.807 -1.848) 5.105 15.019 ( -2.691 -5.651 0.177) 6.261 15.181 ( 5.061 0.988 0.629) 5.195 15.306 ( 5.882 -4.802 -3.077) 8.193 15.448 ( -0.979 0.970 6.779) 6.918 15.508 ( 0.031 -1.749 3.540) 3.949 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 1.632 3.496 -1.070) 4.003 2.270 ( -0.944 2.600 -2.114) 3.482 2.276 ( 2.263 3.213 -3.225) 5.084 2.311 ( -1.265 2.515 -3.118) 4.200 2.381 ( 2.075 0.611 2.324) 3.175 2.434 ( -1.980 -0.359 2.489) 3.201 2.506 ( 0.563 -2.819 -1.436) 3.213 2.533 ( -1.363 -4.028 -1.036) 4.376 2.983 ( 1.195 6.075 5.164) 8.062 3.036 ( -4.198 5.254 2.913) 7.329 3.257 ( 5.929 4.949 2.716) 8.187 3.279 ( 0.177 -6.095 5.937) 8.511 3.316 ( -1.598 -0.074 3.305) 3.672 3.382 ( -0.870 5.998 -2.954) 6.742 3.477 ( -3.649 7.752 -0.724) 8.598 3.496 ( -2.628 9.851 -4.255) 11.048 3.575 ( 5.587 -0.645 3.160) 6.451 3.667 ( -3.663 -2.987 2.258) 5.238 3.923 ( 7.333 -4.458 -6.236) 10.608 3.974 ( 2.063 6.804 -1.883) 7.355 4.021 ( -0.746 1.137 -0.950) 1.659 4.031 ( -1.110 -8.548 -7.554) 11.462 4.250 ( -0.892 -0.111 -3.793) 3.898 4.299 ( -4.752 -0.248 -3.429) 5.865 4.334 ( 4.348 4.935 3.575) 7.486 4.390 ( 0.337 2.161 1.231) 2.510 4.525 ( -1.438 -5.499 4.321) 7.140 4.555 ( -3.018 -5.998 2.856) 7.297 5.397 ( 1.403 7.294 0.875) 7.479 5.429 ( -1.854 9.323 -0.134) 9.507 5.474 ( 2.398 5.669 0.444) 6.171 5.531 ( -3.283 6.338 -1.677) 7.332 5.866 ( 1.683 10.292 -2.416) 10.705 5.870 ( 1.349 10.341 -2.343) 10.689 5.995 ( 0.909 2.461 1.698) 3.125 6.000 ( 0.391 2.983 1.586) 3.401 6.081 ( 0.873 10.979 -0.909) 11.051 6.082 ( 0.850 10.980 -0.941) 11.053 6.147 ( 0.253 7.334 1.246) 7.443 6.159 ( -0.984 7.238 0.740) 7.342 6.923 ( 0.320 2.310 1.307) 2.673 6.943 ( -1.805 1.505 1.609) 2.848 7.099 ( 1.636 -5.132 -1.235) 5.526 7.124 ( -0.967 -5.456 -0.989) 5.628 8.175 ( 7.025 7.769 1.274) 10.551 8.243 ( 7.311 3.702 0.078) 8.195 8.316 ( -2.581 8.381 -2.120) 9.022 8.389 ( 0.783 2.313 -3.454) 4.230 8.542 ( 8.246 -1.686 2.967) 8.924 8.637 ( 5.819 -8.257 -1.573) 10.223 8.766 ( -7.235 0.392 5.330) 8.995 8.875 ( -10.252 -6.793 6.297) 13.817 8.994 ( 4.441 -2.637 -2.678) 5.817 9.100 ( -3.147 -3.471 -1.944) 5.072 9.299 ( -2.500 -11.756 0.355) 12.024 9.329 ( -7.987 -12.972 -0.535) 15.243 9.743 ( 7.919 8.380 0.966) 11.570 9.838 ( 0.364 5.679 -3.087) 6.474 10.109 ( -1.228 13.277 -1.047) 13.375 10.234 ( -10.703 8.574 -7.396) 15.581 10.422 ( 6.258 -16.105 4.311) 17.808 10.503 ( -1.824 -14.452 2.457) 14.773 10.741 ( 8.030 -10.335 -2.797) 13.384 10.804 ( 2.048 6.921 4.364) 8.434 10.854 ( -3.025 -3.834 1.102) 5.006 10.898 ( -6.483 -12.195 -1.498) 13.892 11.189 ( 0.545 -6.108 4.681) 7.714 11.234 ( -4.408 -9.261 4.544) 11.218 11.764 ( 7.952 4.618 0.135) 9.197 11.817 ( 6.591 2.852 -3.025) 7.793 11.963 ( -4.819 1.605 0.798) 5.141 11.970 ( -0.452 3.711 0.113) 3.740 12.032 ( -3.147 2.814 2.400) 4.857 12.110 ( -4.491 2.861 0.670) 5.367 12.196 ( 3.156 -5.825 -3.365) 7.431 12.270 ( -3.938 -4.706 -4.490) 7.604 14.799 ( 2.676 -0.136 -4.074) 4.876 14.841 ( -1.394 -0.926 -4.613) 4.907 14.947 ( -1.943 -5.827 -2.187) 6.520 14.956 ( -2.594 -5.888 -2.083) 6.763 15.298 ( 5.771 1.892 3.965) 7.253 15.373 ( -0.928 0.770 3.083) 3.310 15.445 ( 2.160 -3.132 2.120) 4.355 15.493 ( -1.800 -3.042 1.865) 3.996 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 -0.608 -0.439) 0.750 2.239 ( 0.000 0.608 -0.439) 0.750 2.307 ( 0.000 -1.831 -2.762) 3.314 2.307 ( 0.000 1.831 -2.762) 3.314 2.453 ( 0.000 -1.474 0.249) 1.495 2.453 ( 0.000 1.474 0.249) 1.495 2.504 ( 0.000 -0.121 0.869) 0.878 2.504 ( 0.000 0.121 0.869) 0.878 3.131 ( 0.000 -1.285 2.474) 2.787 3.131 ( 0.000 1.285 2.474) 2.787 3.199 ( 0.000 -0.635 4.423) 4.469 3.199 ( 0.000 0.635 4.423) 4.469 3.458 ( 0.000 -2.197 1.212) 2.509 3.458 ( 0.000 2.197 1.212) 2.509 3.514 ( 0.000 -1.745 -6.046) 6.293 3.514 ( 0.000 1.745 -6.046) 6.293 3.578 ( 0.000 -3.172 -2.509) 4.044 3.578 ( 0.000 3.172 -2.509) 4.044 3.791 ( 0.000 -0.235 5.018) 5.023 3.791 ( 0.000 0.235 5.018) 5.023 4.091 ( 0.000 -7.970 -1.778) 8.166 4.091 ( 0.000 7.970 -1.778) 8.166 4.206 ( 0.000 -6.693 -3.607) 7.603 4.206 ( 0.000 6.693 -3.607) 7.603 4.369 ( 0.000 -1.183 -2.081) 2.393 4.369 ( 0.000 1.183 -2.081) 2.393 4.659 ( 0.000 -0.106 4.154) 4.155 4.659 ( 0.000 0.106 4.154) 4.155 5.419 ( 0.000 -1.261 1.087) 1.665 5.419 ( 0.000 1.261 1.087) 1.665 5.692 ( 0.000 -2.941 -2.462) 3.836 5.692 ( 0.000 2.941 -2.462) 3.836 5.884 ( 0.000 -1.974 0.178) 1.982 5.884 ( 0.000 1.974 0.178) 1.982 5.967 ( 0.000 -2.678 -0.741) 2.778 5.967 ( 0.000 2.678 -0.741) 2.779 6.136 ( 0.000 -0.018 -0.089) 0.091 6.136 ( 0.000 0.018 -0.089) 0.091 6.253 ( 0.000 -1.510 0.016) 1.510 6.253 ( 0.000 1.510 0.016) 1.510 6.987 ( 0.000 -2.436 0.475) 2.482 6.987 ( 0.000 2.437 0.475) 2.482 7.079 ( 0.000 -3.495 0.053) 3.495 7.079 ( 0.000 3.495 0.053) 3.495 8.008 ( 0.000 -1.115 -1.947) 2.244 8.008 ( 0.000 1.116 -1.947) 2.244 8.139 ( 0.000 -2.724 3.356) 4.322 8.139 ( 0.000 2.724 3.356) 4.322 8.687 ( 0.000 -0.895 -3.822) 3.925 8.687 ( 0.000 0.895 -3.822) 3.925 8.933 ( 0.000 -5.332 -2.381) 5.840 8.933 ( 0.000 5.332 -2.381) 5.840 9.121 ( 0.000 -7.770 2.992) 8.326 9.121 ( 0.000 7.770 2.992) 8.326 9.423 ( 0.000 -13.007 4.225) 13.676 9.423 ( 0.000 13.007 4.225) 13.676 9.749 ( 0.000 -10.270 3.104) 10.729 9.749 ( 0.000 10.271 3.104) 10.729 10.070 ( 0.000 -11.632 -2.340) 11.865 10.070 ( 0.000 11.632 -2.340) 11.865 10.401 ( 0.000 -4.454 2.353) 5.037 10.401 ( 0.000 4.454 2.353) 5.038 10.673 ( 0.000 -9.940 -6.814) 12.051 10.673 ( 0.000 9.940 -6.814) 12.051 10.984 ( 0.000 -6.403 8.271) 10.460 10.984 ( 0.000 6.403 8.271) 10.460 11.255 ( 0.000 -3.730 -1.781) 4.133 11.255 ( 0.000 3.730 -1.781) 4.133 11.580 ( 0.000 -0.331 -0.880) 0.940 11.580 ( 0.000 0.331 -0.880) 0.940 11.906 ( 0.000 -6.323 -1.293) 6.454 11.906 ( 0.000 6.323 -1.293) 6.454 12.243 ( 0.000 -0.512 0.270) 0.579 12.243 ( 0.000 0.513 0.270) 0.580 12.293 ( 0.000 -2.211 -0.573) 2.284 12.293 ( 0.000 2.211 -0.573) 2.284 14.812 ( 0.000 -5.161 -3.769) 6.391 14.812 ( 0.000 5.161 -3.769) 6.391 15.009 ( 0.000 -0.226 0.017) 0.226 15.009 ( 0.000 0.226 0.017) 0.226 15.155 ( 0.000 -0.077 -3.287) 3.288 15.155 ( 0.000 0.077 -3.287) 3.288 15.481 ( 0.000 -1.230 5.886) 6.013 15.481 ( 0.000 1.230 5.886) 6.013 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 1.437 -0.668 -0.497) 1.661 2.254 ( 1.437 0.668 -0.497) 1.661 2.316 ( 0.700 -2.117 -2.703) 3.504 2.316 ( 0.700 2.117 -2.703) 3.504 2.439 ( -0.963 -2.475 -0.076) 2.657 2.439 ( -0.963 2.475 -0.076) 2.657 2.494 ( -1.263 -1.226 0.225) 1.774 2.494 ( -1.263 1.226 0.225) 1.774 3.112 ( -1.282 -4.083 3.786) 5.714 3.112 ( -1.282 4.083 3.786) 5.714 3.231 ( 1.753 -1.412 5.247) 5.710 3.231 ( 1.753 1.412 5.247) 5.710 3.379 ( -3.548 -1.740 1.336) 4.172 3.379 ( -3.548 1.740 1.336) 4.172 3.556 ( 0.577 -5.579 -4.269) 7.049 3.556 ( 0.577 5.579 -4.269) 7.049 3.630 ( 5.314 -6.230 -2.964) 8.709 3.630 ( 5.314 6.230 -2.964) 8.709 3.793 ( 0.255 -8.625 0.427) 8.639 3.793 ( 0.255 8.625 0.427) 8.639 4.121 ( 1.886 -9.041 -1.078) 9.299 4.121 ( 1.886 9.041 -1.078) 9.299 4.195 ( -0.726 -8.837 -3.186) 9.422 4.195 ( -0.726 8.837 -3.186) 9.422 4.361 ( -0.175 -1.095 -1.502) 1.867 4.361 ( -0.175 1.095 -1.502) 1.867 4.614 ( -4.361 -0.150 4.429) 6.217 4.614 ( -4.361 0.150 4.429) 6.217 5.438 ( 1.980 -1.422 0.988) 2.630 5.438 ( 1.980 1.422 0.988) 2.631 5.639 ( -4.120 -2.841 -1.591) 5.251 5.639 ( -4.120 2.841 -1.591) 5.251 5.939 ( 4.117 -2.383 -0.429) 4.776 5.939 ( 4.117 2.383 -0.429) 4.776 5.981 ( 1.304 -2.654 -1.022) 3.129 5.981 ( 1.304 2.654 -1.022) 3.129 6.156 ( 1.877 -0.089 0.062) 1.880 6.156 ( 1.877 0.089 0.062) 1.880 6.249 ( -0.482 -1.120 0.162) 1.230 6.249 ( -0.482 1.120 0.162) 1.230 6.989 ( 0.231 -2.871 0.454) 2.916 6.989 ( 0.231 2.871 0.454) 2.916 7.053 ( -2.233 -3.812 -0.020) 4.418 7.053 ( -2.233 3.812 -0.020) 4.418 8.119 ( 10.905 -0.661 -0.828) 10.956 8.119 ( 10.905 0.661 -0.828) 10.956 8.189 ( 5.110 -3.563 1.980) 6.537 8.189 ( 5.110 3.564 1.980) 6.537 8.645 ( -4.404 -4.198 -4.272) 7.434 8.645 ( -4.404 4.198 -4.272) 7.434 8.919 ( -1.995 -4.925 -0.079) 5.314 8.919 ( -1.995 4.925 -0.079) 5.314 9.094 ( -2.414 -8.461 3.178) 9.355 9.094 ( -2.414 8.461 3.178) 9.355 9.282 ( -11.464 -10.057 3.182) 15.579 9.282 ( -11.464 10.057 3.182) 15.579 9.853 ( 8.412 -13.307 1.254) 15.793 9.853 ( 8.412 13.307 1.254) 15.793 10.089 ( 1.391 -12.799 -2.302) 13.079 10.089 ( 1.391 12.799 -2.302) 13.079 10.400 ( 0.198 -9.416 1.820) 9.593 10.400 ( 0.198 9.416 1.820) 9.593 10.641 ( -3.458 -11.450 -5.967) 13.366 10.641 ( -3.458 11.450 -5.967) 13.366 10.990 ( 0.549 -5.315 7.587) 9.280 10.990 ( 0.549 5.315 7.587) 9.280 11.160 ( -6.940 -5.399 0.529) 8.808 11.160 ( -6.940 5.399 0.529) 8.808 11.678 ( 7.738 -1.724 -1.697) 8.108 11.678 ( 7.738 1.724 -1.697) 8.108 11.948 ( 4.113 -5.600 -1.584) 7.127 11.948 ( 4.113 5.600 -1.584) 7.127 12.182 ( -6.011 -1.638 1.620) 6.437 12.182 ( -6.011 1.638 1.620) 6.437 12.262 ( -2.954 -3.520 -1.616) 4.871 12.262 ( -2.954 3.520 -1.616) 4.871 14.804 ( -0.204 -3.599 -4.267) 5.586 14.804 ( -0.204 3.599 -4.267) 5.586 14.965 ( -3.822 -0.714 -1.254) 4.085 14.965 ( -3.822 0.714 -1.254) 4.085 15.228 ( 6.232 -3.187 -1.137) 7.092 15.228 ( 6.232 3.187 -1.137) 7.092 15.476 ( -0.759 -1.551 5.407) 5.676 15.476 ( -0.759 1.551 5.407) 5.676 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 2.079 -0.466 -1.381) 2.539 2.289 ( 2.079 0.466 -1.381) 2.539 2.319 ( -0.686 -1.171 -2.501) 2.846 2.319 ( -0.686 1.171 -2.501) 2.846 2.433 ( 0.530 -2.730 -0.218) 2.789 2.433 ( 0.530 2.730 -0.218) 2.789 2.459 ( -1.978 -1.531 -0.146) 2.505 2.459 ( -1.978 1.531 -0.146) 2.505 3.113 ( 1.832 -4.514 5.571) 7.400 3.113 ( 1.832 4.514 5.571) 7.400 3.182 ( -4.881 -3.955 5.807) 8.555 3.182 ( -4.881 3.955 5.807) 8.555 3.423 ( 5.857 -6.191 1.273) 8.617 3.423 ( 5.857 6.191 1.273) 8.617 3.522 ( -3.809 -5.944 -0.533) 7.080 3.522 ( -3.809 5.944 -0.533) 7.080 3.736 ( 4.653 -11.188 -4.614) 12.966 3.736 ( 4.653 11.188 -4.614) 12.966 3.790 ( -1.076 -13.054 -3.839) 13.649 3.790 ( -1.076 13.054 -3.839) 13.649 4.136 ( 0.926 -6.532 -3.117) 7.296 4.136 ( 0.926 6.532 -3.117) 7.296 4.175 ( -2.173 -7.317 -4.074) 8.652 4.175 ( -2.173 7.317 -4.074) 8.652 4.401 ( 4.592 -1.168 2.453) 5.335 4.401 ( 4.592 1.168 2.453) 5.335 4.510 ( -6.111 -0.813 4.444) 7.599 4.510 ( -6.111 0.813 4.444) 7.599 5.490 ( 3.341 -1.885 0.525) 3.872 5.490 ( 3.341 1.885 0.525) 3.872 5.561 ( -3.955 -2.496 -0.413) 4.695 5.561 ( -3.955 2.496 -0.413) 4.695 5.999 ( 1.732 -2.751 -1.091) 3.429 5.999 ( 1.732 2.751 -1.091) 3.429 6.005 ( 0.826 -2.830 -1.282) 3.215 6.005 ( 0.826 2.831 -1.282) 3.215 6.197 ( 2.155 -0.116 0.357) 2.187 6.197 ( 2.155 0.116 0.357) 2.187 6.231 ( -1.362 -0.421 0.407) 1.483 6.231 ( -1.362 0.421 0.407) 1.483 6.996 ( 0.578 -3.672 0.338) 3.733 6.996 ( 0.578 3.672 0.338) 3.733 7.015 ( -1.495 -4.104 0.095) 4.369 7.015 ( -1.495 4.104 0.095) 4.369 8.315 ( 7.780 -1.984 -1.151) 8.111 8.315 ( 7.780 1.984 -1.151) 8.111 8.370 ( 10.058 -1.258 -0.286) 10.140 8.370 ( 10.058 1.258 -0.286) 10.140 8.553 ( -0.858 -2.922 -1.296) 3.310 8.553 ( -0.858 2.923 -1.296) 3.310 8.775 ( -14.282 -2.385 4.746) 15.238 8.775 ( -14.282 2.385 4.746) 15.238 9.064 ( 0.495 -9.316 0.880) 9.370 9.064 ( 0.495 9.316 0.880) 9.370 9.113 ( -4.836 -6.995 -0.152) 8.506 9.113 ( -4.836 6.995 -0.152) 8.506 10.008 ( 6.884 -15.083 -0.140) 16.580 10.008 ( 6.884 15.083 -0.140) 16.580 10.093 ( -1.793 -14.476 -1.625) 14.677 10.093 ( -1.793 14.476 -1.625) 14.677 10.433 ( 3.906 -14.950 -0.214) 15.454 10.433 ( 3.906 14.950 -0.214) 15.454 10.542 ( -6.478 -14.931 -3.195) 16.586 10.542 ( -6.478 14.931 -3.195) 16.586 11.007 ( 1.437 -3.870 5.224) 6.659 11.007 ( 1.437 3.870 5.224) 6.659 11.054 ( -3.801 -4.337 2.723) 6.378 11.054 ( -3.801 4.337 2.723) 6.378 11.834 ( 8.524 -1.656 -0.623) 8.706 11.834 ( 8.524 1.656 -0.623) 8.706 11.989 ( -5.386 -1.231 -1.090) 5.631 11.989 ( -5.386 1.231 -1.090) 5.631 12.093 ( 2.386 -2.977 0.649) 3.870 12.093 ( 2.386 2.977 0.649) 3.870 12.185 ( -4.960 -3.490 -1.701) 6.299 12.185 ( -4.960 3.490 -1.701) 6.299 14.822 ( 2.224 -1.846 -4.174) 5.077 14.822 ( 2.224 1.846 -4.174) 5.077 14.885 ( -4.102 -0.880 -2.914) 5.108 14.885 ( -4.102 0.880 -2.914) 5.108 15.351 ( 5.970 -2.776 1.706) 6.802 15.351 ( 5.970 2.776 1.706) 6.802 15.440 ( -3.214 -2.101 3.983) 5.533 15.440 ( -3.214 2.101 3.983) 5.533 ======================= Grid point 150 (49/72) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 0.000 -21.159) 21.159 1.048 ( 0.000 0.000 21.159) 21.159 1.069 ( 0.000 0.000 -23.948) 23.948 1.069 ( 0.000 0.000 23.948) 23.948 1.829 ( 0.000 0.000 -3.347) 3.347 1.829 ( 0.000 0.000 3.347) 3.347 1.915 ( 0.000 0.000 -31.342) 31.342 1.915 ( 0.000 0.000 31.342) 31.342 2.115 ( 0.000 0.000 -1.606) 1.606 2.115 ( 0.000 0.000 1.606) 1.606 2.224 ( 0.000 0.000 -6.387) 6.387 2.224 ( 0.000 0.000 6.387) 6.387 2.340 ( 0.000 0.000 -2.947) 2.947 2.340 ( 0.000 0.000 2.947) 2.947 2.429 ( 0.000 0.000 -10.724) 10.724 2.429 ( 0.000 0.000 10.724) 10.724 2.489 ( 0.000 0.000 -4.726) 4.726 2.489 ( 0.000 0.000 4.726) 4.726 2.561 ( 0.000 0.000 -11.159) 11.159 2.561 ( 0.000 0.000 11.159) 11.159 2.915 ( 0.000 0.000 -3.818) 3.818 2.915 ( 0.000 0.000 3.818) 3.818 3.466 ( 0.000 0.000 -7.869) 7.869 3.466 ( 0.000 0.000 7.869) 7.869 3.678 ( 0.000 0.000 -2.693) 2.693 3.678 ( 0.000 0.000 2.693) 2.693 4.154 ( 0.000 0.000 -8.068) 8.068 4.154 ( 0.000 0.000 8.068) 8.068 4.589 ( 0.000 0.000 -2.464) 2.464 4.589 ( 0.000 0.000 2.464) 2.464 4.902 ( 0.000 0.000 -2.150) 2.150 4.902 ( 0.000 0.000 2.150) 2.150 5.054 ( 0.000 0.000 -2.369) 2.369 5.054 ( 0.000 0.000 2.369) 2.369 5.371 ( 0.000 0.000 -0.918) 0.918 5.371 ( 0.000 0.000 0.918) 0.918 5.608 ( 0.000 0.000 -1.450) 1.450 5.608 ( 0.000 0.000 1.450) 1.450 6.400 ( 0.000 0.000 -3.835) 3.835 6.400 ( 0.000 0.000 3.835) 3.835 7.227 ( 0.000 0.000 -10.125) 10.125 7.227 ( 0.000 0.000 10.125) 10.125 7.331 ( 0.000 0.000 -11.991) 11.991 7.331 ( 0.000 0.000 11.991) 11.991 7.599 ( 0.000 0.000 -9.240) 9.240 7.599 ( 0.000 0.000 9.240) 9.240 7.803 ( 0.000 0.000 -0.140) 0.140 7.803 ( 0.000 0.000 0.140) 0.140 8.230 ( 0.000 0.000 -4.445) 4.445 8.230 ( 0.000 0.000 4.445) 4.445 8.704 ( 0.000 0.000 -2.306) 2.306 8.704 ( 0.000 0.000 2.306) 2.306 8.765 ( 0.000 0.000 -9.213) 9.213 8.765 ( 0.000 0.000 9.213) 9.213 9.498 ( 0.000 0.000 -13.287) 13.287 9.498 ( 0.000 0.000 13.287) 13.287 9.810 ( 0.000 0.000 -2.054) 2.054 9.810 ( 0.000 0.000 2.054) 2.054 9.879 ( 0.000 0.000 -9.230) 9.230 9.879 ( 0.000 0.000 9.230) 9.230 10.327 ( 0.000 0.000 -2.871) 2.871 10.327 ( 0.000 0.000 2.871) 2.871 10.581 ( 0.000 0.000 -1.503) 1.503 10.581 ( 0.000 0.000 1.503) 1.503 11.493 ( 0.000 0.000 -0.629) 0.629 11.493 ( 0.000 0.000 0.629) 0.629 11.534 ( 0.000 0.000 -0.399) 0.399 11.534 ( 0.000 0.000 0.399) 0.399 11.538 ( 0.000 0.000 -9.579) 9.579 11.538 ( 0.000 0.000 9.579) 9.579 12.035 ( 0.000 0.000 -1.218) 1.218 12.035 ( 0.000 0.000 1.218) 1.218 12.981 ( 0.000 0.000 -0.155) 0.155 12.981 ( 0.000 0.000 0.155) 0.155 13.315 ( 0.000 0.000 -1.786) 1.786 13.315 ( 0.000 0.000 1.786) 1.786 15.078 ( 0.000 0.000 -2.415) 2.415 15.078 ( 0.000 0.000 2.415) 2.415 15.481 ( 0.000 0.000 -2.314) 2.314 15.481 ( 0.000 0.000 2.314) 2.314 16.519 ( 0.000 0.000 -5.388) 5.388 16.519 ( 0.000 0.000 5.388) 5.388 16.846 ( 0.000 0.000 -4.589) 4.589 16.846 ( 0.000 0.000 4.589) 4.589 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 9.074 0.000 -18.348) 20.469 1.140 ( 9.074 0.000 18.348) 20.469 1.195 ( 11.752 0.000 -20.666) 23.773 1.195 ( 11.752 0.000 20.666) 23.773 1.779 ( -5.714 0.000 -3.014) 6.460 1.779 ( -5.714 0.000 3.014) 6.460 2.008 ( 2.393 0.000 -16.082) 16.259 2.008 ( 2.393 0.000 16.082) 16.259 2.071 ( -3.403 0.000 -2.540) 4.246 2.071 ( -3.403 0.000 2.540) 4.246 2.148 ( -4.278 0.000 -26.454) 26.798 2.148 ( -4.278 0.000 26.454) 26.798 2.211 ( -0.719 0.000 -3.741) 3.809 2.211 ( -0.719 0.000 3.741) 3.809 2.547 ( 4.748 0.000 -3.651) 5.989 2.547 ( 4.748 0.000 3.651) 5.989 2.641 ( 13.459 0.000 -5.068) 14.381 2.641 ( 13.459 0.000 5.068) 14.381 2.684 ( 11.694 0.000 -12.559) 17.160 2.684 ( 11.694 0.000 12.559) 17.160 2.902 ( -1.285 0.000 -3.435) 3.667 2.902 ( -1.285 0.000 3.435) 3.667 3.394 ( -6.134 0.000 -7.233) 9.484 3.394 ( -6.134 0.000 7.233) 9.484 3.648 ( -4.566 0.000 -7.026) 8.379 3.648 ( -4.566 0.000 7.026) 8.379 3.872 ( -22.803 0.000 -11.163) 25.389 3.872 ( -22.803 0.000 11.163) 25.389 4.711 ( 3.456 0.000 -2.800) 4.448 4.711 ( 3.456 0.000 2.800) 4.448 4.813 ( -2.019 0.000 -3.005) 3.620 4.813 ( -2.019 0.000 3.005) 3.620 5.042 ( -3.349 0.000 -1.362) 3.616 5.042 ( -3.349 0.000 1.362) 3.616 5.465 ( 8.626 0.000 -2.017) 8.858 5.465 ( 8.626 0.000 2.017) 8.858 5.659 ( 5.103 0.000 -6.850) 8.541 5.659 ( 5.103 0.000 6.850) 8.541 6.293 ( -8.980 0.000 -6.727) 11.221 6.293 ( -8.980 0.000 6.727) 11.221 7.243 ( 1.663 0.000 -9.547) 9.691 7.243 ( 1.663 0.000 9.547) 9.691 7.447 ( 8.384 0.000 -8.740) 12.112 7.447 ( 8.384 0.000 8.740) 12.112 7.545 ( -4.771 0.000 -8.539) 9.781 7.545 ( -4.771 0.000 8.539) 9.781 7.778 ( -1.401 0.000 -2.229) 2.633 7.778 ( -1.401 0.000 2.229) 2.633 8.297 ( 6.139 0.000 -3.819) 7.230 8.297 ( 6.139 0.000 3.819) 7.230 8.678 ( -2.690 0.000 -2.381) 3.593 8.678 ( -2.690 0.000 2.381) 3.593 8.860 ( 8.208 0.000 -7.593) 11.182 8.860 ( 8.208 0.000 7.593) 11.182 9.337 ( -10.863 0.000 -6.576) 12.698 9.337 ( -10.863 0.000 6.576) 12.698 9.806 ( -0.383 0.000 -1.668) 1.712 9.806 ( -0.383 0.000 1.668) 1.712 10.109 ( 18.265 0.000 -6.472) 19.378 10.109 ( 18.265 0.000 6.472) 19.378 10.411 ( 7.267 0.000 -2.802) 7.789 10.411 ( 7.267 0.000 2.802) 7.789 10.580 ( -0.055 0.000 -1.216) 1.217 10.580 ( -0.055 0.000 1.216) 1.217 11.477 ( -8.502 0.000 -9.952) 13.089 11.477 ( -8.502 0.000 9.952) 13.089 11.494 ( 0.073 0.000 -0.506) 0.511 11.494 ( 0.073 0.000 0.506) 0.511 11.534 ( -0.002 0.000 -0.323) 0.323 11.534 ( -0.002 0.000 0.323) 0.323 11.863 ( -13.065 0.000 -5.530) 14.187 11.863 ( -13.065 0.000 5.530) 14.187 12.944 ( -3.225 0.000 -2.688) 4.198 12.944 ( -3.225 0.000 2.688) 4.198 13.337 ( 1.776 0.000 -1.630) 2.410 13.337 ( 1.776 0.000 1.630) 2.410 15.112 ( 3.655 0.000 -2.363) 4.353 15.112 ( 3.655 0.000 2.363) 4.353 15.516 ( 2.408 0.000 -3.056) 3.891 15.516 ( 2.408 0.000 3.056) 3.891 16.492 ( -2.802 0.000 -4.832) 5.586 16.492 ( -2.802 0.000 4.832) 5.586 16.790 ( -4.258 0.000 -2.829) 5.112 16.790 ( -4.258 0.000 2.829) 5.112 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 12.987 0.000 -12.642) 18.124 1.360 ( 12.987 0.000 12.642) 18.124 1.459 ( 14.938 0.000 -15.603) 21.601 1.459 ( 14.938 0.000 15.603) 21.601 1.607 ( -11.712 0.000 -6.950) 13.619 1.607 ( -11.712 0.000 6.950) 13.619 1.773 ( -15.889 0.000 -10.888) 19.262 1.773 ( -15.889 0.000 10.888) 19.262 2.027 ( -1.044 0.000 -1.184) 1.578 2.027 ( -1.044 0.000 1.184) 1.578 2.203 ( -0.199 0.000 -1.112) 1.130 2.203 ( -0.199 0.000 1.112) 1.130 2.403 ( 16.253 0.000 -20.759) 26.365 2.403 ( 16.253 0.000 20.759) 26.365 2.625 ( 2.619 0.000 -1.642) 3.091 2.625 ( 2.619 0.000 1.642) 3.091 2.847 ( 6.602 0.000 -9.996) 11.979 2.847 ( 6.602 0.000 9.996) 11.979 2.875 ( -1.121 0.000 -1.695) 2.032 2.875 ( -1.121 0.000 1.695) 2.032 2.952 ( 11.907 0.000 -9.901) 15.486 2.952 ( 11.907 0.000 9.901) 15.486 3.277 ( -4.730 0.000 -5.624) 7.349 3.277 ( -4.730 0.000 5.624) 7.349 3.430 ( -16.255 0.000 -7.934) 18.088 3.430 ( -16.255 0.000 7.934) 18.088 3.508 ( -10.225 0.000 -6.531) 12.133 3.508 ( -10.225 0.000 6.531) 12.133 4.653 ( -3.011 0.000 -2.657) 4.015 4.653 ( -3.011 0.000 2.657) 4.015 4.874 ( 2.244 0.000 -0.413) 2.281 4.874 ( 2.244 0.000 0.413) 2.281 4.979 ( -1.701 0.000 -1.518) 2.280 4.979 ( -1.701 0.000 1.518) 2.280 5.598 ( 3.576 0.000 -2.376) 4.293 5.598 ( 3.576 0.000 2.376) 4.293 5.792 ( 7.425 0.000 -8.551) 11.325 5.792 ( 7.425 0.000 8.551) 11.325 6.122 ( -7.506 0.000 -7.472) 10.591 6.122 ( -7.506 0.000 7.472) 10.591 7.283 ( 1.968 0.000 -5.873) 6.194 7.283 ( 1.968 0.000 5.873) 6.194 7.455 ( -3.543 0.000 -5.387) 6.447 7.455 ( -3.543 0.000 5.387) 6.447 7.532 ( 0.718 0.000 -3.052) 3.136 7.532 ( 0.718 0.000 3.052) 3.136 7.795 ( 2.176 0.000 -2.086) 3.014 7.795 ( 2.176 0.000 2.086) 3.014 8.421 ( 5.543 0.000 -2.430) 6.053 8.421 ( 5.543 0.000 2.430) 6.053 8.610 ( -3.758 0.000 -1.982) 4.248 8.610 ( -3.758 0.000 1.982) 4.248 9.017 ( 7.565 0.000 -2.536) 7.979 9.017 ( 7.565 0.000 2.536) 7.979 9.160 ( -7.778 0.000 -2.639) 8.213 9.160 ( -7.778 0.000 2.639) 8.213 9.799 ( -0.238 0.000 -0.641) 0.684 9.799 ( -0.238 0.000 0.641) 0.684 10.472 ( 14.336 0.000 -7.416) 16.141 10.472 ( 14.336 0.000 7.416) 16.141 10.541 ( 7.927 0.000 -3.421) 8.634 10.541 ( 7.927 0.000 3.421) 8.634 10.579 ( -0.034 0.000 -0.464) 0.466 10.579 ( -0.034 0.000 0.464) 0.466 11.161 ( -19.638 0.000 -6.348) 20.638 11.161 ( -19.638 0.000 6.348) 20.638 11.495 ( 0.046 0.000 -0.191) 0.197 11.495 ( 0.046 0.000 0.191) 0.197 11.534 ( -0.002 0.000 -0.124) 0.124 11.534 ( -0.002 0.000 0.124) 0.124 11.728 ( -1.751 0.000 -2.296) 2.888 11.728 ( -1.751 0.000 2.296) 2.888 12.888 ( -1.919 0.000 -1.230) 2.280 12.888 ( -1.919 0.000 1.230) 2.280 13.364 ( 0.782 0.000 -0.650) 1.017 13.364 ( 0.782 0.000 0.650) 1.017 15.195 ( 3.630 0.000 -1.567) 3.954 15.195 ( 3.630 0.000 1.567) 3.954 15.535 ( -0.245 0.000 -1.896) 1.912 15.535 ( -0.245 0.000 1.896) 1.912 16.434 ( -2.202 0.000 -1.973) 2.957 16.434 ( -2.202 0.000 1.973) 2.957 16.733 ( -1.414 0.000 -1.098) 1.790 16.733 ( -1.414 0.000 1.098) 1.790 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.000 8.433 -13.260) 15.715 1.160 ( 0.000 8.433 13.260) 15.715 1.220 ( 0.000 14.207 -12.842) 19.151 1.220 ( 0.000 14.207 12.842) 19.151 2.005 ( 0.000 15.220 -2.073) 15.360 2.005 ( 0.000 15.220 2.073) 15.360 2.073 ( 0.000 14.097 -11.661) 18.295 2.073 ( 0.000 14.097 11.661) 18.295 2.244 ( 0.000 9.513 -1.320) 9.604 2.244 ( 0.000 9.513 1.320) 9.604 2.348 ( 0.000 7.764 -7.326) 10.675 2.348 ( 0.000 7.764 7.326) 10.675 2.401 ( 0.000 8.700 -7.930) 11.772 2.401 ( 0.000 8.700 7.930) 11.772 2.488 ( 0.000 7.288 -1.901) 7.532 2.488 ( 0.000 7.288 1.901) 7.532 2.615 ( 0.000 11.046 -8.234) 13.777 2.615 ( 0.000 11.046 8.234) 13.777 2.689 ( 0.000 16.798 -5.212) 17.588 2.689 ( 0.000 16.798 5.212) 17.588 3.110 ( 0.000 17.699 -4.086) 18.165 3.110 ( 0.000 17.699 4.086) 18.165 3.463 ( 0.000 0.144 -9.292) 9.293 3.463 ( 0.000 0.144 9.292) 9.293 3.679 ( 0.000 0.505 -0.262) 0.569 3.679 ( 0.000 0.505 0.262) 0.569 4.151 ( 0.000 0.161 -9.142) 9.144 4.151 ( 0.000 0.161 9.142) 9.144 4.591 ( 0.000 0.427 -1.829) 1.878 4.591 ( 0.000 0.427 1.829) 1.878 4.858 ( 0.000 -4.038 -0.891) 4.135 4.858 ( 0.000 -4.038 0.891) 4.135 5.032 ( 0.000 -2.210 -2.425) 3.280 5.032 ( 0.000 -2.210 2.425) 3.280 5.368 ( 0.000 -0.051 -0.062) 0.081 5.368 ( 0.000 -0.051 0.062) 0.081 5.597 ( 0.000 -0.707 -1.700) 1.841 5.597 ( 0.000 -0.707 1.700) 1.841 6.276 ( 0.000 -9.160 -3.032) 9.649 6.276 ( 0.000 -9.160 3.032) 9.649 7.245 ( 0.000 -0.557 -1.215) 1.336 7.245 ( 0.000 -0.557 1.215) 1.336 7.373 ( 0.000 3.247 -5.058) 6.010 7.373 ( 0.000 3.247 5.058) 6.010 7.720 ( 0.000 5.879 -4.497) 7.401 7.720 ( 0.000 5.879 4.497) 7.401 7.815 ( 0.000 5.993 -2.394) 6.453 7.815 ( 0.000 5.993 2.394) 6.453 8.393 ( 0.000 14.418 -3.697) 14.884 8.393 ( 0.000 14.418 3.697) 14.884 8.801 ( 0.000 8.465 -2.664) 8.875 8.801 ( 0.000 8.465 2.664) 8.875 8.878 ( 0.000 10.227 -4.181) 11.048 8.878 ( 0.000 10.227 4.181) 11.048 9.472 ( 0.000 -7.134 -11.070) 13.170 9.472 ( 0.000 -7.134 11.070) 13.170 9.775 ( 0.000 -2.828 -10.105) 10.494 9.775 ( 0.000 -2.828 10.105) 10.494 9.888 ( 0.000 6.725 -5.430) 8.644 9.888 ( 0.000 6.725 5.430) 8.644 10.427 ( 0.000 -0.751 -4.252) 4.318 10.427 ( 0.000 -0.751 4.252) 4.318 10.550 ( 0.000 4.449 -1.213) 4.612 10.550 ( 0.000 4.449 1.213) 4.612 11.358 ( 0.000 -13.131 -0.105) 13.132 11.358 ( 0.000 -13.131 0.105) 13.132 11.499 ( 0.000 0.231 -1.341) 1.361 11.499 ( 0.000 0.231 1.341) 1.361 11.533 ( 0.000 -0.754 -10.177) 10.204 11.533 ( 0.000 -0.754 10.177) 10.204 12.114 ( 0.000 6.173 -0.528) 6.196 12.114 ( 0.000 6.173 0.528) 6.196 12.946 ( 0.000 -4.113 -2.809) 4.981 12.946 ( 0.000 -4.113 2.809) 4.981 13.219 ( 0.000 -9.064 -0.608) 9.084 13.219 ( 0.000 -9.064 0.608) 9.084 15.109 ( 0.000 1.489 -0.689) 1.640 15.109 ( 0.000 1.489 0.689) 1.640 15.448 ( 0.000 -2.872 -2.959) 4.124 15.448 ( 0.000 -2.872 2.959) 4.124 16.421 ( 0.000 -9.293 -4.298) 10.238 16.421 ( 0.000 -9.293 4.298) 10.238 16.714 ( 0.000 -12.078 -2.795) 12.397 16.714 ( 0.000 -12.078 2.795) 12.397 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 9.764 8.363 -18.310) 22.373 1.256 ( 9.764 8.363 18.310) 22.373 1.315 ( 9.090 11.933 -18.187) 23.575 1.315 ( 9.090 11.933 18.187) 23.575 1.946 ( -6.744 12.046 -0.829) 13.830 1.946 ( -6.744 12.046 0.829) 13.830 2.060 ( -6.096 7.659 -2.948) 10.223 2.060 ( -6.096 7.659 2.948) 10.223 2.192 ( -4.432 12.116 -6.596) 14.489 2.192 ( -4.432 12.116 6.596) 14.489 2.265 ( 2.409 13.220 -6.284) 14.834 2.265 ( 2.409 13.220 6.284) 14.834 2.451 ( 2.477 17.997 -10.989) 21.232 2.451 ( 2.477 17.997 10.989) 21.232 2.642 ( 13.316 1.423 -5.867) 14.621 2.642 ( 13.316 1.423 5.867) 14.621 2.729 ( 10.200 7.612 -11.330) 17.040 2.729 ( 10.200 7.612 11.330) 17.040 2.747 ( 5.078 16.977 -4.789) 18.355 2.747 ( 5.078 16.977 4.789) 18.355 3.100 ( -0.888 17.402 -3.608) 17.794 3.100 ( -0.888 17.402 3.608) 17.794 3.401 ( -5.426 1.148 -8.292) 9.975 3.401 ( -5.426 1.148 8.292) 9.975 3.641 ( -4.950 -0.264 -5.860) 7.676 3.641 ( -4.950 -0.264 5.860) 7.676 3.893 ( -21.341 2.637 -11.380) 24.329 3.893 ( -21.341 2.637 11.380) 24.329 4.701 ( 3.293 -0.753 -2.506) 4.206 4.701 ( 3.293 -0.753 2.506) 4.206 4.795 ( -1.115 -1.806 -2.785) 3.502 4.795 ( -1.115 -1.806 2.785) 3.502 5.001 ( -3.538 -3.594 -1.412) 5.237 5.001 ( -3.538 -3.594 1.412) 5.237 5.455 ( 7.410 -1.028 -1.595) 7.649 5.455 ( 7.410 -1.028 1.595) 7.649 5.641 ( 4.692 -1.156 -6.341) 7.972 5.641 ( 4.692 -1.156 6.341) 7.972 6.195 ( -7.333 -7.600 -7.124) 12.739 6.195 ( -7.333 -7.600 7.124) 12.739 7.274 ( 2.388 -0.025 -5.928) 6.391 7.274 ( 2.388 -0.025 5.928) 6.391 7.430 ( 4.060 0.775 -6.057) 7.333 7.430 ( 4.060 0.775 6.057) 7.333 7.707 ( -1.189 9.951 -4.526) 10.996 7.707 ( -1.189 9.951 4.526) 10.996 7.816 ( 0.240 5.273 -1.769) 5.567 7.816 ( 0.240 5.273 1.769) 5.567 8.436 ( 4.673 13.079 -3.232) 14.259 8.436 ( 4.673 13.079 3.232) 14.259 8.799 ( -1.892 10.555 -2.679) 11.053 8.799 ( -1.892 10.555 2.679) 11.053 8.920 ( 5.324 6.027 -6.306) 10.220 8.920 ( 5.324 6.027 6.306) 10.220 9.355 ( -8.988 0.121 -5.869) 10.735 9.355 ( -8.988 0.121 5.869) 10.735 9.748 ( 1.022 -4.785 -2.331) 5.420 9.748 ( 1.022 -4.785 2.331) 5.420 10.138 ( 18.293 3.428 -3.604) 18.958 10.138 ( 18.293 3.428 3.604) 18.958 10.430 ( 0.466 -4.463 -2.886) 5.335 10.430 ( 0.466 -4.463 2.886) 5.335 10.555 ( 0.457 3.512 -0.715) 3.613 10.555 ( 0.457 3.512 0.715) 3.613 11.309 ( -4.474 -14.313 -0.883) 15.022 11.309 ( -4.474 -14.313 0.883) 15.022 11.440 ( -7.259 -2.289 -4.796) 8.996 11.440 ( -7.259 -2.289 4.796) 8.996 11.543 ( -0.730 1.879 -4.060) 4.533 11.543 ( -0.730 1.879 4.060) 4.533 11.999 ( -7.503 9.057 -2.737) 12.075 11.999 ( -7.503 9.057 2.737) 12.075 12.908 ( -3.299 -4.293 -3.212) 6.295 12.908 ( -3.299 -4.293 3.212) 6.295 13.253 ( 2.580 -8.273 -0.899) 8.713 13.253 ( 2.580 -8.273 0.899) 8.713 15.131 ( 2.649 0.840 -1.700) 3.258 15.131 ( 2.649 0.840 1.700) 3.258 15.483 ( 2.467 -2.995 -3.382) 5.147 15.483 ( 2.467 -2.995 3.382) 5.147 16.395 ( -2.722 -9.265 -3.992) 10.449 16.395 ( -2.722 -9.265 3.992) 10.449 16.677 ( -2.847 -10.599 -2.191) 11.191 16.677 ( -2.847 -10.599 2.191) 11.191 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 12.810 7.830 -10.258) 18.183 1.487 ( 12.810 7.830 10.258) 18.183 1.536 ( 12.876 9.477 -12.407) 20.237 1.536 ( 12.876 9.477 12.407) 20.237 1.761 ( -11.099 9.324 -5.451) 15.486 1.761 ( -11.099 9.324 5.451) 15.486 1.836 ( -14.025 9.794 -6.243) 18.209 1.836 ( -14.025 9.794 6.243) 18.209 2.153 ( -0.722 13.054 -1.124) 13.122 2.153 ( -0.722 13.054 1.124) 13.122 2.340 ( 1.924 12.577 -0.552) 12.735 2.340 ( 1.924 12.577 0.552) 12.735 2.582 ( 9.858 15.832 -12.561) 22.485 2.582 ( 9.858 15.832 12.561) 22.485 2.790 ( 0.322 13.164 -0.350) 13.173 2.790 ( 0.322 13.164 0.350) 13.173 2.906 ( 9.993 4.544 -4.387) 11.822 2.906 ( 9.993 4.544 4.387) 11.822 2.958 ( 9.845 8.735 -8.719) 15.787 2.958 ( 9.845 8.735 8.719) 15.787 3.106 ( 3.394 16.195 -0.824) 16.568 3.106 ( 3.394 16.195 0.824) 16.568 3.302 ( -3.205 3.033 -4.961) 6.639 3.302 ( -3.205 3.033 4.961) 6.639 3.462 ( -16.951 3.861 -6.108) 18.427 3.462 ( -16.951 3.861 6.108) 18.427 3.494 ( -11.897 0.035 -7.042) 13.825 3.494 ( -11.897 0.035 7.042) 13.825 4.654 ( -2.540 0.179 -2.459) 3.540 4.654 ( -2.540 0.179 2.459) 3.540 4.853 ( 1.782 -1.933 -0.588) 2.694 4.853 ( 1.782 -1.933 0.588) 2.694 4.943 ( -1.242 -3.276 -1.690) 3.889 4.943 ( -1.242 -3.276 1.690) 3.889 5.565 ( 2.917 -3.223 -1.742) 4.683 5.565 ( 2.917 -3.223 1.742) 4.683 5.773 ( 7.680 -1.329 -7.967) 11.145 5.773 ( 7.680 -1.329 7.967) 11.145 6.040 ( -7.568 -6.371 -7.863) 12.637 6.040 ( -7.568 -6.371 7.863) 12.637 7.326 ( 2.631 -2.637 -3.685) 5.240 7.326 ( 2.631 -2.637 3.685) 5.240 7.450 ( -1.644 6.200 -1.309) 6.546 7.450 ( -1.644 6.200 1.309) 6.546 7.700 ( 0.263 9.830 -1.230) 9.910 7.700 ( 0.263 9.830 1.230) 9.910 7.823 ( 0.514 4.722 -1.197) 4.898 7.823 ( 0.514 4.722 1.197) 4.898 8.553 ( 6.197 12.288 -2.328) 13.958 8.553 ( 6.197 12.288 2.328) 13.958 8.730 ( -4.392 11.224 -2.173) 12.247 8.730 ( -4.392 11.224 2.173) 12.247 9.048 ( 7.041 3.040 -1.748) 7.865 9.048 ( 7.041 3.040 1.748) 7.865 9.196 ( -7.426 3.240 -2.094) 8.369 9.196 ( -7.426 3.240 2.094) 8.369 9.782 ( 1.458 -2.290 -1.463) 3.084 9.782 ( 1.458 -2.290 1.463) 3.084 10.411 ( 2.415 -8.631 -2.848) 9.404 10.411 ( 2.415 -8.631 2.848) 9.404 10.524 ( 12.356 -0.527 -1.338) 12.439 10.524 ( 12.356 -0.527 1.338) 12.439 10.571 ( 3.711 1.504 -2.864) 4.923 10.571 ( 3.711 1.504 2.864) 4.923 11.135 ( -17.135 -3.472 -8.344) 19.372 11.135 ( -17.135 -3.472 8.344) 19.372 11.252 ( -3.525 -13.855 -2.452) 14.505 11.252 ( -3.525 -13.855 2.452) 14.505 11.534 ( -0.029 3.613 -0.501) 3.648 11.534 ( -0.029 3.613 0.501) 3.648 11.943 ( 0.179 10.939 -0.927) 10.980 11.943 ( 0.179 10.939 0.927) 10.980 12.849 ( -2.061 -4.531 -1.321) 5.150 12.849 ( -2.061 -4.531 1.321) 5.150 13.290 ( 1.054 -7.592 -0.411) 7.676 13.290 ( 1.054 -7.592 0.411) 7.676 15.197 ( 3.000 -0.320 -1.376) 3.316 15.197 ( 3.000 -0.320 1.376) 3.316 15.507 ( 0.045 -2.696 -1.964) 3.336 15.507 ( 0.045 -2.696 1.964) 3.336 16.340 ( -2.061 -8.996 -1.728) 9.390 16.340 ( -2.061 -8.996 1.728) 9.390 16.638 ( -0.994 -9.119 -0.968) 9.224 16.638 ( -0.994 -9.119 0.968) 9.224 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 12.560 -4.112) 13.216 1.378 ( 0.000 12.560 4.112) 13.216 1.552 ( 0.000 17.944 -5.404) 18.740 1.552 ( 0.000 17.944 5.404) 18.740 2.192 ( 0.000 3.236 -3.768) 4.967 2.192 ( 0.000 3.236 3.768) 4.967 2.353 ( 0.000 7.274 -0.780) 7.315 2.353 ( 0.000 7.274 0.780) 7.315 2.467 ( 0.000 5.845 -2.322) 6.289 2.467 ( 0.000 5.845 2.322) 6.289 2.525 ( 0.000 17.957 -2.633) 18.149 2.525 ( 0.000 17.957 2.633) 18.149 2.675 ( 0.000 19.469 -0.097) 19.469 2.675 ( 0.000 19.469 0.097) 19.469 2.804 ( 0.000 25.577 -0.295) 25.579 2.804 ( 0.000 25.577 0.295) 25.579 3.029 ( 0.000 14.713 -3.910) 15.224 3.029 ( 0.000 14.713 3.910) 15.224 3.118 ( 0.000 31.124 -13.117) 33.775 3.118 ( 0.000 31.124 13.117) 33.775 3.493 ( 0.000 2.695 -14.730) 14.974 3.493 ( 0.000 2.695 14.730) 14.974 3.544 ( 0.000 22.378 -8.193) 23.830 3.544 ( 0.000 22.378 8.193) 23.830 3.741 ( 0.000 8.045 -4.777) 9.356 3.741 ( 0.000 8.045 4.777) 9.356 4.191 ( 0.000 5.225 -9.563) 10.897 4.191 ( 0.000 5.225 9.563) 10.897 4.621 ( 0.000 2.698 -0.577) 2.759 4.621 ( 0.000 2.698 0.577) 2.759 4.754 ( 0.000 -5.672 -0.615) 5.705 4.754 ( 0.000 -5.672 0.615) 5.705 4.970 ( 0.000 -3.548 -3.061) 4.686 4.970 ( 0.000 -3.548 3.061) 4.686 5.369 ( 0.000 -0.100 -2.075) 2.077 5.369 ( 0.000 -0.100 2.075) 2.077 5.597 ( 0.000 1.025 -1.940) 2.194 5.597 ( 0.000 1.025 1.940) 2.194 6.109 ( 0.000 -6.673 -1.865) 6.928 6.109 ( 0.000 -6.673 1.865) 6.928 7.210 ( 0.000 -2.355 -5.117) 5.633 7.210 ( 0.000 -2.355 5.117) 5.633 7.398 ( 0.000 -1.079 -5.857) 5.956 7.398 ( 0.000 -1.079 5.857) 5.956 7.758 ( 0.000 1.733 -1.035) 2.018 7.758 ( 0.000 1.733 1.035) 2.018 8.047 ( 0.000 11.370 -1.395) 11.455 8.047 ( 0.000 11.370 1.395) 11.455 8.693 ( 0.000 11.872 -2.198) 12.074 8.693 ( 0.000 11.872 2.198) 12.074 9.014 ( 0.000 11.291 -8.244) 13.981 9.014 ( 0.000 11.291 8.244) 13.981 9.070 ( 0.000 3.540 -0.685) 3.605 9.070 ( 0.000 3.540 0.685) 3.605 9.310 ( 0.000 -2.940 -4.415) 5.304 9.310 ( 0.000 -2.940 4.415) 5.304 9.632 ( 0.000 -8.613 -4.298) 9.626 9.632 ( 0.000 -8.613 4.298) 9.626 10.170 ( 0.000 15.573 -7.331) 17.212 10.170 ( 0.000 15.573 7.331) 17.212 10.307 ( 0.000 -2.680 -4.595) 5.320 10.307 ( 0.000 -2.680 4.595) 5.320 10.730 ( 0.000 8.189 -1.771) 8.378 10.730 ( 0.000 8.189 1.771) 8.378 11.134 ( 0.000 -7.114 -1.473) 7.265 11.134 ( 0.000 -7.114 1.473) 7.265 11.495 ( 0.000 -3.392 -11.976) 12.447 11.495 ( 0.000 -3.392 11.976) 12.447 11.525 ( 0.000 2.491 -5.351) 5.902 11.525 ( 0.000 2.491 5.351) 5.902 12.221 ( 0.000 3.221 -0.559) 3.270 12.221 ( 0.000 3.221 0.559) 3.270 12.788 ( 0.000 -11.388 -7.101) 13.420 12.788 ( 0.000 -11.388 7.101) 13.420 12.981 ( 0.000 -13.870 -0.803) 13.894 12.981 ( 0.000 -13.870 0.803) 13.894 15.087 ( 0.000 -3.763 -0.930) 3.876 15.087 ( 0.000 -3.763 0.930) 3.876 15.381 ( 0.000 -3.560 -4.541) 5.770 15.381 ( 0.000 -3.560 4.541) 5.770 16.170 ( 0.000 -14.674 -2.077) 14.821 16.170 ( 0.000 -14.674 2.077) 14.821 16.402 ( 0.000 -18.050 -1.530) 18.115 16.402 ( 0.000 -18.050 1.530) 18.115 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 8.270 11.429 -7.553) 16.002 1.459 ( 8.270 11.429 7.553) 16.002 1.603 ( 5.463 15.808 -9.482) 19.226 1.603 ( 5.463 15.808 9.482) 19.226 2.078 ( -8.742 4.513 -2.731) 10.210 2.078 ( -8.742 4.513 2.731) 10.210 2.335 ( -5.872 12.388 -5.414) 14.740 2.335 ( -5.872 12.388 5.414) 14.740 2.535 ( 1.111 17.698 -2.191) 17.868 2.535 ( 1.111 17.698 2.191) 17.868 2.584 ( 7.361 10.629 -1.269) 12.991 2.584 ( 7.361 10.629 1.269) 12.991 2.654 ( 3.374 12.513 -5.629) 14.129 2.654 ( 3.374 12.513 5.629) 14.129 2.847 ( 4.538 18.322 -2.442) 19.033 2.847 ( 4.538 18.322 2.442) 19.033 3.060 ( 2.707 16.796 -5.744) 17.956 3.060 ( 2.707 16.796 5.744) 17.956 3.182 ( 5.592 26.647 -14.730) 30.956 3.182 ( 5.592 26.647 14.730) 30.956 3.444 ( -3.668 8.037 -12.288) 15.134 3.444 ( -3.668 8.037 12.288) 15.134 3.538 ( -1.256 18.721 -8.814) 20.731 3.538 ( -1.256 18.721 8.814) 20.731 3.687 ( -5.830 7.964 -5.170) 11.142 3.687 ( -5.830 7.964 5.170) 11.142 4.026 ( -13.833 12.191 -10.073) 21.010 4.026 ( -13.833 12.191 10.073) 21.010 4.683 ( 0.687 -1.787 -2.162) 2.888 4.683 ( 0.687 -1.787 2.162) 2.888 4.754 ( 3.359 -0.885 -1.456) 3.766 4.754 ( 3.359 -0.885 1.456) 3.766 4.915 ( -4.599 -4.472 -1.712) 6.639 4.915 ( -4.599 -4.472 1.712) 6.639 5.424 ( 4.206 -2.063 -1.557) 4.937 5.424 ( 4.206 -2.063 1.557) 4.937 5.634 ( 4.250 0.756 -5.118) 6.696 5.634 ( 4.250 0.756 5.118) 6.696 6.053 ( -5.368 -5.654 -6.572) 10.197 6.053 ( -5.368 -5.654 6.572) 10.197 7.237 ( 1.718 -2.804 -4.775) 5.798 7.237 ( 1.718 -2.804 4.775) 5.798 7.421 ( 2.838 -2.191 -5.483) 6.551 7.421 ( 2.838 -2.191 5.483) 6.551 7.810 ( 3.861 2.709 -1.102) 4.844 7.810 ( 3.861 2.709 1.102) 4.844 8.024 ( -1.957 10.802 -1.080) 11.030 8.024 ( -1.957 10.802 1.080) 11.030 8.733 ( 4.272 12.878 -1.386) 13.639 8.733 ( 4.272 12.878 1.386) 13.639 8.997 ( 0.616 6.203 -2.546) 6.733 8.997 ( 0.616 6.203 2.546) 6.733 9.108 ( 1.239 10.966 -3.016) 11.440 9.108 ( 1.239 10.966 3.016) 11.440 9.338 ( 1.002 0.972 -4.806) 5.005 9.338 ( 1.002 0.972 4.806) 5.005 9.604 ( -0.387 -9.356 -1.430) 9.473 9.604 ( -0.387 -9.356 1.430) 9.473 10.232 ( 0.711 -2.071 -4.511) 5.015 10.232 ( 0.711 -2.071 4.511) 5.015 10.336 ( 7.826 7.379 -3.283) 11.246 10.336 ( 7.826 7.379 3.283) 11.246 10.680 ( -4.812 5.562 -1.356) 7.478 10.680 ( -4.812 5.562 1.356) 7.478 11.078 ( -4.686 -6.697 -1.065) 8.242 11.078 ( -4.686 -6.697 1.065) 8.242 11.415 ( -7.797 -0.440 -7.151) 10.589 11.415 ( -7.797 -0.440 7.151) 10.589 11.583 ( 3.254 2.449 -5.422) 6.781 11.583 ( 3.254 2.449 5.422) 6.781 12.150 ( -4.741 4.929 -0.606) 6.866 12.150 ( -4.741 4.929 0.606) 6.866 12.744 ( -3.704 -11.854 -5.367) 13.529 12.744 ( -3.704 -11.854 5.367) 13.529 13.019 ( 2.670 -14.463 -1.795) 14.816 13.019 ( 2.670 -14.463 1.795) 14.816 15.107 ( 2.245 -3.424 -1.023) 4.220 15.107 ( 2.245 -3.424 1.023) 4.220 15.408 ( 2.116 -4.127 -4.264) 6.300 15.408 ( 2.116 -4.127 4.264) 6.300 16.144 ( -2.563 -14.682 -2.468) 15.107 16.144 ( -2.563 -14.682 2.468) 15.107 16.392 ( -0.683 -16.882 -1.607) 16.972 16.392 ( -0.683 -16.882 1.607) 16.972 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 9.438 8.860 -9.503) 16.059 1.649 ( 9.438 8.860 9.503) 16.059 1.756 ( 8.496 10.566 -13.691) 19.268 1.756 ( 8.496 10.566 13.691) 19.268 1.915 ( -6.078 8.815 -7.731) 13.207 1.915 ( -6.078 8.815 7.731) 13.207 2.131 ( -12.721 14.691 -8.958) 21.399 2.131 ( -12.721 14.691 8.958) 21.399 2.534 ( -0.416 22.213 -1.071) 22.243 2.534 ( -0.416 22.213 1.071) 22.243 2.658 ( 2.412 17.910 -1.550) 18.138 2.658 ( 2.412 17.910 1.550) 18.138 2.826 ( 7.808 4.186 -5.071) 10.208 2.826 ( 7.808 4.186 5.071) 10.208 2.980 ( 5.681 6.302 -4.566) 9.636 2.980 ( 5.681 6.302 4.566) 9.636 3.090 ( 3.283 11.898 -2.600) 12.613 3.090 ( 3.283 11.898 2.600) 12.613 3.272 ( -2.413 15.323 -6.372) 16.769 3.272 ( -2.413 15.323 6.372) 16.769 3.406 ( 3.113 10.748 -1.942) 11.357 3.406 ( 3.113 10.748 1.942) 11.357 3.495 ( -2.750 16.969 -6.189) 18.271 3.495 ( -2.750 16.969 6.189) 18.271 3.583 ( -0.770 19.442 -0.763) 19.473 3.583 ( -0.770 19.442 0.763) 19.473 3.745 ( -14.375 22.556 -10.852) 28.865 3.745 ( -14.375 22.556 10.852) 28.865 4.663 ( -0.728 0.753 -2.396) 2.615 4.663 ( -0.728 0.753 2.396) 2.615 4.802 ( -1.049 -3.240 -1.540) 3.738 4.802 ( -1.049 -3.240 1.540) 3.738 4.867 ( 0.909 -3.250 -1.839) 3.844 4.867 ( 0.909 -3.250 1.839) 3.844 5.480 ( 1.421 -4.683 -0.642) 4.936 5.480 ( 1.421 -4.683 0.642) 4.936 5.758 ( 7.837 -0.134 -7.352) 10.747 5.758 ( 7.837 -0.134 7.352) 10.747 5.925 ( -7.525 -4.227 -8.299) 11.974 5.925 ( -7.525 -4.227 8.299) 11.974 7.254 ( 0.294 -3.681 -1.840) 4.126 7.254 ( 0.294 -3.681 1.840) 4.126 7.487 ( 2.757 -2.438 -2.290) 4.335 7.487 ( 2.757 -2.438 2.290) 4.335 7.845 ( -0.270 4.112 -0.927) 4.224 7.845 ( -0.270 4.112 0.927) 4.224 8.002 ( -0.108 9.770 -0.188) 9.773 8.002 ( -0.108 9.770 0.188) 9.773 8.849 ( 6.789 13.929 -2.074) 15.634 8.849 ( 6.789 13.929 2.074) 15.634 8.993 ( -2.985 11.618 -1.544) 12.094 8.993 ( -2.985 11.618 1.544) 12.094 9.151 ( 4.818 8.312 -1.652) 9.748 9.151 ( 4.818 8.312 1.652) 9.748 9.280 ( -5.951 5.492 -3.349) 8.763 9.280 ( -5.951 5.492 3.349) 8.763 9.667 ( 4.434 -9.552 -2.443) 10.811 9.667 ( 4.434 -9.552 2.443) 10.811 10.195 ( -2.076 -10.859 -1.888) 11.215 10.195 ( -2.076 -10.859 1.888) 11.215 10.541 ( 4.371 2.209 -1.834) 5.229 10.541 ( 4.371 2.209 1.834) 5.229 10.603 ( 2.961 1.707 -4.296) 5.490 10.603 ( 2.961 1.707 4.296) 5.490 11.011 ( -1.173 -2.567 -3.142) 4.223 11.011 ( -1.173 -2.567 3.142) 4.223 11.186 ( -13.061 2.830 -2.081) 13.525 11.186 ( -13.061 2.830 2.081) 13.525 11.629 ( 1.314 5.472 -1.777) 5.902 11.629 ( 1.314 5.472 1.777) 5.902 12.112 ( 0.139 5.783 -0.362) 5.796 12.112 ( 0.139 5.783 0.362) 5.796 12.678 ( -2.379 -12.635 -1.898) 12.996 12.678 ( -2.379 -12.635 1.898) 12.996 13.054 ( 0.928 -15.462 -0.744) 15.507 13.054 ( 0.928 -15.462 0.744) 15.507 15.160 ( 2.324 -3.592 -0.852) 4.362 15.160 ( 2.324 -3.592 0.852) 4.362 15.435 ( 0.469 -4.211 -2.117) 4.737 15.435 ( 0.469 -4.211 2.117) 4.737 16.094 ( -1.843 -14.533 -1.271) 14.704 16.094 ( -1.843 -14.533 1.271) 14.704 16.384 ( -0.188 -15.455 -0.796) 15.476 16.384 ( -0.188 -15.455 0.796) 15.476 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 0.000 12.998 -1.747) 13.114 1.642 ( 0.000 12.998 1.747) 13.114 1.917 ( 0.000 17.491 -3.496) 17.836 1.917 ( 0.000 17.491 3.496) 17.836 2.233 ( 0.000 1.595 -3.366) 3.725 2.233 ( 0.000 1.595 3.366) 3.725 2.410 ( 0.000 0.618 -4.551) 4.593 2.410 ( 0.000 0.618 4.551) 4.593 2.594 ( 0.000 8.139 -2.019) 8.386 2.594 ( 0.000 8.139 2.019) 8.386 2.917 ( 0.000 17.846 -1.157) 17.883 2.917 ( 0.000 17.846 1.157) 17.883 3.098 ( 0.000 14.062 -4.952) 14.908 3.098 ( 0.000 14.062 4.952) 14.908 3.177 ( 0.000 10.833 -3.200) 11.296 3.177 ( 0.000 10.833 3.200) 11.296 3.328 ( 0.000 20.430 -4.296) 20.877 3.328 ( 0.000 20.430 4.296) 20.877 3.540 ( 0.000 2.303 -11.750) 11.973 3.540 ( 0.000 2.303 11.750) 11.973 3.790 ( 0.000 2.817 -9.154) 9.578 3.790 ( 0.000 2.817 9.154) 9.578 3.803 ( 0.000 34.791 -14.288) 37.611 3.803 ( 0.000 34.791 14.288) 37.611 4.121 ( 0.000 23.846 -7.158) 24.897 4.121 ( 0.000 23.846 7.158) 24.897 4.420 ( 0.000 15.491 -4.190) 16.048 4.420 ( 0.000 15.491 4.190) 16.048 4.588 ( 0.000 -5.051 -1.554) 5.284 4.588 ( 0.000 -5.051 1.554) 5.284 4.756 ( 0.000 4.073 -0.926) 4.177 4.756 ( 0.000 4.073 0.926) 4.177 4.948 ( 0.000 5.837 -4.116) 7.143 4.948 ( 0.000 5.837 4.116) 7.143 5.360 ( 0.000 -0.459 -3.878) 3.905 5.360 ( 0.000 -0.459 3.878) 3.905 5.643 ( 0.000 3.545 -1.284) 3.770 5.643 ( 0.000 3.545 1.284) 3.770 6.022 ( 0.000 -1.739 -0.432) 1.792 6.022 ( 0.000 -1.739 0.432) 1.792 7.163 ( 0.000 -2.113 -5.323) 5.727 7.163 ( 0.000 -2.113 5.323) 5.727 7.330 ( 0.000 -5.737 -8.786) 10.493 7.330 ( 0.000 -5.737 8.786) 10.493 7.819 ( 0.000 4.251 -0.708) 4.309 7.819 ( 0.000 4.251 0.708) 4.309 8.209 ( 0.000 4.610 -1.384) 4.813 8.209 ( 0.000 4.610 1.384) 4.813 8.753 ( 0.000 -5.685 -1.222) 5.815 8.753 ( 0.000 -5.685 1.222) 5.815 9.035 ( 0.000 -2.587 -9.611) 9.953 9.035 ( 0.000 -2.587 9.611) 9.953 9.126 ( 0.000 -2.406 -5.060) 5.603 9.126 ( 0.000 -2.406 5.060) 5.603 9.297 ( 0.000 -1.206 -1.947) 2.290 9.297 ( 0.000 -1.206 1.947) 2.290 9.655 ( 0.000 12.127 -5.869) 13.473 9.655 ( 0.000 12.127 5.869) 13.473 10.289 ( 0.000 4.917 -4.732) 6.824 10.289 ( 0.000 4.917 4.732) 6.824 10.565 ( 0.000 17.446 -1.460) 17.507 10.565 ( 0.000 17.446 1.460) 17.507 10.838 ( 0.000 2.661 -2.486) 3.642 10.838 ( 0.000 2.661 2.486) 3.642 11.079 ( 0.000 0.165 -0.115) 0.201 11.079 ( 0.000 0.165 0.115) 0.201 11.372 ( 0.000 -8.814 -9.520) 12.973 11.372 ( 0.000 -8.814 9.520) 12.973 11.612 ( 0.000 6.129 -5.690) 8.363 11.612 ( 0.000 6.129 5.690) 8.363 12.204 ( 0.000 -4.972 -2.087) 5.392 12.204 ( 0.000 -4.972 2.087) 5.392 12.560 ( 0.000 -8.947 -3.421) 9.579 12.560 ( 0.000 -8.947 3.421) 9.579 12.653 ( 0.000 -18.884 -1.987) 18.989 12.653 ( 0.000 -18.884 1.987) 18.989 14.981 ( 0.000 -6.061 -2.705) 6.637 14.981 ( 0.000 -6.061 2.705) 6.637 15.308 ( 0.000 -3.559 -6.045) 7.015 15.308 ( 0.000 -3.559 6.045) 7.015 15.870 ( 0.000 -14.014 -0.028) 14.014 15.870 ( 0.000 -14.014 0.028) 14.014 16.011 ( 0.000 -20.114 -1.106) 20.145 16.011 ( 0.000 -20.114 1.106) 20.145 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 5.764 11.830 -2.336) 13.365 1.699 ( 5.764 11.830 2.336) 13.365 1.927 ( 1.400 15.329 -5.466) 16.335 1.927 ( 1.400 15.329 5.466) 16.335 2.173 ( -4.401 4.952 -1.211) 6.735 2.173 ( -4.401 4.952 1.211) 6.735 2.480 ( 2.039 3.076 -6.882) 7.809 2.480 ( 2.039 3.076 6.882) 7.809 2.649 ( 6.106 4.436 -3.059) 8.144 2.649 ( 6.106 4.436 3.059) 8.144 2.883 ( -1.068 13.900 -4.442) 14.632 2.883 ( -1.068 13.900 4.442) 14.632 3.067 ( -1.749 18.357 -1.280) 18.485 3.067 ( -1.749 18.357 1.280) 18.485 3.181 ( -1.278 9.625 -2.045) 9.923 3.181 ( -1.278 9.625 2.045) 9.923 3.266 ( -4.615 13.112 -1.799) 14.017 3.266 ( -4.615 13.112 1.799) 14.017 3.529 ( -3.283 3.049 -5.879) 7.392 3.529 ( -3.283 3.049 5.879) 7.392 3.757 ( 0.636 18.025 -3.442) 18.361 3.757 ( 0.636 18.025 3.442) 18.361 3.901 ( 6.618 24.855 -7.218) 26.715 3.901 ( 6.618 24.855 7.218) 26.715 4.072 ( -4.162 23.281 -7.064) 24.683 4.072 ( -4.162 23.281 7.064) 24.683 4.377 ( -4.493 18.618 -4.791) 19.743 4.377 ( -4.493 18.618 4.791) 19.743 4.604 ( 1.833 -3.753 -1.710) 4.513 4.604 ( 1.833 -3.753 1.710) 4.513 4.801 ( 2.745 1.473 -0.671) 3.186 4.801 ( 2.745 1.473 0.671) 3.186 4.891 ( -4.141 8.336 -3.938) 10.106 4.891 ( -4.141 8.336 3.938) 10.106 5.379 ( 1.340 -1.809 -3.115) 3.843 5.379 ( 1.340 -1.809 3.115) 3.843 5.672 ( 3.067 2.835 -2.678) 4.961 5.672 ( 3.067 2.835 2.678) 4.961 5.984 ( -3.693 -0.917 -4.608) 5.976 5.984 ( -3.693 -0.917 4.608) 5.976 7.175 ( 0.577 -3.283 -4.301) 5.441 7.175 ( 0.577 -3.283 4.301) 5.441 7.345 ( 2.118 -5.307 -6.612) 8.739 7.345 ( 2.118 -5.307 6.612) 8.739 7.867 ( 3.616 3.260 -0.827) 4.938 7.867 ( 3.616 3.260 0.827) 4.938 8.172 ( -3.071 4.104 -1.826) 5.442 8.172 ( -3.071 4.104 1.826) 5.442 8.825 ( 7.549 -4.144 -1.553) 8.750 8.825 ( 7.549 -4.144 1.553) 8.750 9.053 ( 2.586 1.181 -6.823) 7.392 9.053 ( 2.586 1.181 6.823) 7.392 9.236 ( 8.145 -0.062 -3.904) 9.033 9.236 ( 8.145 -0.062 3.904) 9.033 9.303 ( 1.704 -6.173 -2.676) 6.941 9.303 ( 1.704 -6.173 2.676) 6.941 9.624 ( -3.030 14.114 -5.973) 15.622 9.624 ( -3.030 14.114 5.973) 15.622 10.186 ( -9.737 -0.339 -3.150) 10.240 10.186 ( -9.737 -0.339 3.150) 10.240 10.608 ( 4.091 14.215 -1.019) 14.827 10.608 ( 4.091 14.215 1.019) 14.827 10.742 ( -8.709 1.521 -1.426) 8.955 10.742 ( -8.709 1.521 1.426) 8.955 11.050 ( -1.500 2.908 -1.245) 3.501 11.050 ( -1.500 2.908 1.245) 3.501 11.392 ( -0.546 -2.838 -7.572) 8.104 11.392 ( -0.546 -2.838 7.572) 8.104 11.663 ( 4.677 5.918 -5.986) 9.629 11.663 ( 4.677 5.918 5.986) 9.629 12.156 ( -3.041 -5.041 -1.210) 6.011 12.156 ( -3.041 -5.041 1.210) 6.011 12.491 ( -5.823 -11.250 -5.809) 13.936 12.491 ( -5.823 -11.250 5.809) 13.936 12.682 ( 1.461 -18.154 -4.057) 18.659 12.682 ( 1.461 -18.154 4.057) 18.659 15.006 ( 2.478 -5.998 -2.326) 6.894 15.006 ( 2.478 -5.998 2.326) 6.894 15.323 ( 1.302 -4.241 -5.320) 6.927 15.323 ( 1.302 -4.241 5.320) 6.927 15.842 ( -2.706 -14.337 -1.205) 14.640 15.842 ( -2.706 -14.337 1.205) 14.640 16.024 ( 1.182 -18.856 -1.367) 18.943 16.024 ( 1.182 -18.856 1.367) 18.943 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 6.812 9.036 -5.078) 12.403 1.833 ( 6.812 9.036 5.078) 12.403 1.950 ( -1.043 8.535 -8.900) 12.375 1.950 ( -1.043 8.535 8.900) 12.375 2.133 ( 2.433 12.297 -4.902) 13.460 2.133 ( 2.433 12.297 4.902) 13.460 2.373 ( -9.660 9.198 -9.391) 16.313 2.373 ( -9.660 9.198 9.391) 16.313 2.809 ( 8.068 1.221 -1.976) 8.396 2.809 ( 8.068 1.221 1.976) 8.396 2.960 ( 5.969 10.932 -5.468) 13.602 2.960 ( 5.969 10.932 5.468) 13.602 3.022 ( -3.383 12.047 -4.365) 13.252 3.022 ( -3.383 12.047 4.365) 13.252 3.116 ( -2.754 11.915 -2.090) 12.406 3.116 ( -2.754 11.915 2.090) 12.406 3.231 ( 0.988 8.397 -2.418) 8.794 3.231 ( 0.988 8.397 2.418) 8.794 3.392 ( -8.916 3.429 -2.583) 9.896 3.392 ( -8.916 3.429 2.583) 9.896 3.816 ( 3.979 21.805 -5.882) 22.932 3.816 ( 3.979 21.805 5.882) 22.932 3.954 ( -3.239 22.002 -5.067) 22.809 3.954 ( -3.239 22.002 5.067) 22.809 4.081 ( 7.815 26.264 -6.475) 28.157 4.081 ( 7.815 26.264 6.475) 28.157 4.250 ( -8.422 23.924 -6.904) 26.286 4.250 ( -8.422 23.924 6.904) 26.286 4.656 ( 3.283 -2.754 -1.729) 4.621 4.656 ( 3.283 -2.754 1.729) 4.621 4.755 ( -4.615 1.992 -2.168) 5.474 4.755 ( -4.615 1.992 2.168) 5.474 4.896 ( 1.879 8.519 -1.365) 8.830 4.896 ( 1.879 8.519 1.365) 8.830 5.394 ( 0.242 -3.300 -1.281) 3.548 5.394 ( 0.242 -3.300 1.281) 3.548 5.754 ( 4.787 -0.190 -3.878) 6.164 5.754 ( 4.787 -0.190 3.878) 6.164 5.896 ( -4.804 1.584 -5.140) 7.212 5.896 ( -4.804 1.584 5.140) 7.212 7.177 ( -0.090 -4.157 -1.431) 4.398 7.177 ( -0.090 -4.157 1.431) 4.398 7.398 ( 2.299 -5.781 -2.197) 6.598 7.398 ( 2.299 -5.781 2.197) 6.598 7.902 ( 0.002 2.498 -1.479) 2.904 7.902 ( 0.002 2.498 1.479) 2.904 8.134 ( -0.579 3.601 -1.525) 3.953 8.134 ( -0.579 3.601 1.525) 3.953 8.993 ( 7.422 0.421 -1.444) 7.573 8.993 ( 7.422 0.421 1.444) 7.573 9.118 ( 2.717 -0.573 -3.875) 4.767 9.118 ( 2.717 -0.573 3.875) 4.767 9.267 ( -0.898 1.194 -2.009) 2.504 9.267 ( -0.898 1.194 2.009) 2.504 9.453 ( 8.363 -1.553 -5.941) 10.375 9.453 ( 8.363 -1.553 5.941) 10.375 9.554 ( -3.868 14.183 -3.929) 15.218 9.554 ( -3.868 14.183 3.929) 15.218 10.000 ( -7.026 -8.696 -1.183) 11.243 10.000 ( -7.026 -8.696 1.183) 11.243 10.529 ( -7.549 -3.291 -1.408) 8.355 10.529 ( -7.549 -3.291 1.408) 8.355 10.736 ( 4.348 10.458 -0.790) 11.353 10.736 ( 4.348 10.458 0.790) 11.353 11.062 ( 2.779 6.491 -3.211) 7.756 11.062 ( 2.779 6.491 3.211) 7.756 11.298 ( -7.294 7.285 -1.919) 10.486 11.298 ( -7.294 7.285 1.919) 10.486 11.747 ( 2.784 6.014 -2.383) 7.042 11.747 ( 2.784 6.014 2.383) 7.042 12.156 ( 2.662 -3.107 -0.252) 4.099 12.156 ( 2.662 -3.107 0.252) 4.099 12.369 ( -5.729 -15.983 -2.842) 17.215 12.369 ( -5.729 -15.983 2.842) 17.215 12.696 ( 0.194 -18.643 -1.493) 18.704 12.696 ( 0.194 -18.643 1.493) 18.704 15.055 ( 1.898 -6.415 -1.042) 6.771 15.055 ( 1.898 -6.415 1.042) 6.771 15.345 ( 0.665 -4.670 -2.406) 5.295 15.345 ( 0.665 -4.670 2.406) 5.295 15.790 ( -1.866 -14.570 -0.780) 14.710 15.790 ( -1.866 -14.570 0.780) 14.710 16.045 ( 0.687 -17.316 -0.726) 17.345 16.045 ( 0.687 -17.316 0.726) 17.345 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 0.000 10.805 -1.284) 10.881 1.885 ( 0.000 10.805 1.284) 10.881 2.203 ( 0.000 7.641 -4.729) 8.986 2.203 ( 0.000 7.641 4.729) 8.986 2.284 ( 0.000 5.416 -1.547) 5.633 2.284 ( 0.000 5.416 1.547) 5.633 2.424 ( 0.000 1.662 -2.209) 2.765 2.424 ( 0.000 1.662 2.209) 2.765 2.783 ( 0.000 10.166 -3.106) 10.630 2.783 ( 0.000 10.166 3.106) 10.630 3.150 ( 0.000 1.053 -3.038) 3.215 3.150 ( 0.000 1.053 3.038) 3.215 3.187 ( 0.000 7.169 -0.107) 7.169 3.187 ( 0.000 7.169 0.107) 7.169 3.495 ( 0.000 12.015 -3.486) 12.511 3.495 ( 0.000 12.015 3.486) 12.511 3.606 ( 0.000 3.705 -9.408) 10.111 3.606 ( 0.000 3.705 9.408) 10.111 3.678 ( 0.000 14.976 -6.193) 16.206 3.678 ( 0.000 14.976 6.193) 16.206 3.776 ( 0.000 -2.011 -8.984) 9.207 3.776 ( 0.000 -2.011 8.984) 9.207 4.380 ( 0.000 -0.221 -8.804) 8.807 4.380 ( 0.000 -0.221 8.804) 8.807 4.438 ( 0.000 -1.807 -4.031) 4.417 4.438 ( 0.000 -1.807 4.031) 4.417 4.460 ( 0.000 23.764 -6.448) 24.624 4.460 ( 0.000 23.764 6.448) 24.624 4.812 ( 0.000 10.551 -1.477) 10.654 4.812 ( 0.000 10.551 1.477) 10.654 4.888 ( 0.000 20.536 -1.242) 20.573 4.888 ( 0.000 20.536 1.242) 20.573 5.263 ( 0.000 20.335 -1.851) 20.419 5.263 ( 0.000 20.335 1.851) 20.419 5.389 ( 0.000 4.848 -5.196) 7.106 5.389 ( 0.000 4.848 5.196) 7.106 5.748 ( 0.000 7.382 -0.941) 7.442 5.748 ( 0.000 7.382 0.941) 7.442 6.032 ( 0.000 1.960 -2.096) 2.870 6.032 ( 0.000 1.960 2.096) 2.870 7.118 ( 0.000 -3.292 -7.396) 8.096 7.118 ( 0.000 -3.292 7.396) 8.096 7.183 ( 0.000 -7.049 -6.774) 9.776 7.183 ( 0.000 -7.049 6.774) 9.776 7.920 ( 0.000 5.402 -0.114) 5.403 7.920 ( 0.000 5.402 0.114) 5.403 8.249 ( 0.000 0.005 -2.934) 2.934 8.249 ( 0.000 0.005 2.934) 2.934 8.616 ( 0.000 -5.618 -2.715) 6.240 8.616 ( 0.000 -5.618 2.715) 6.240 8.919 ( 0.000 -5.632 -9.025) 10.638 8.919 ( 0.000 -5.632 9.025) 10.638 9.054 ( 0.000 -4.896 -2.255) 5.390 9.054 ( 0.000 -4.896 2.255) 5.390 9.327 ( 0.000 3.875 -2.535) 4.631 9.327 ( 0.000 3.875 2.535) 4.631 9.918 ( 0.000 11.263 -5.714) 12.630 9.918 ( 0.000 11.263 5.714) 12.630 10.380 ( 0.000 2.154 -4.055) 4.591 10.380 ( 0.000 2.154 4.055) 4.591 10.784 ( 0.000 0.208 -12.079) 12.081 10.784 ( 0.000 0.208 12.079) 12.081 10.854 ( 0.000 -7.170 -6.358) 9.583 10.854 ( 0.000 -7.170 6.358) 9.583 11.041 ( 0.000 2.675 -5.231) 5.875 11.041 ( 0.000 2.675 5.231) 5.875 11.271 ( 0.000 2.162 -0.462) 2.210 11.271 ( 0.000 2.162 0.462) 2.210 11.752 ( 0.000 5.904 -0.115) 5.905 11.752 ( 0.000 5.904 0.115) 5.905 12.072 ( 0.000 -8.543 -5.272) 10.038 12.072 ( 0.000 -8.543 5.272) 10.038 12.254 ( 0.000 -16.870 -3.313) 17.192 12.254 ( 0.000 -16.870 3.313) 17.192 12.425 ( 0.000 -5.503 -0.407) 5.518 12.425 ( 0.000 -5.503 0.407) 5.518 14.867 ( 0.000 -4.735 -4.766) 6.718 14.867 ( 0.000 -4.735 4.766) 6.718 15.238 ( 0.000 -3.400 -7.001) 7.783 15.238 ( 0.000 -3.400 7.001) 7.783 15.607 ( 0.000 -17.557 -1.891) 17.659 15.607 ( 0.000 -17.557 1.891) 17.659 15.649 ( 0.000 -9.024 -0.027) 9.025 15.649 ( 0.000 -9.024 0.027) 9.025 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 3.513 9.851 -1.337) 10.544 1.920 ( 3.513 9.851 1.337) 10.544 2.161 ( -3.087 6.548 -5.452) 9.063 2.161 ( -3.087 6.548 5.452) 9.063 2.299 ( 1.697 7.808 -1.346) 8.103 2.299 ( 1.697 7.808 1.346) 8.103 2.502 ( 5.347 0.177 -5.993) 8.034 2.502 ( 5.347 0.177 5.993) 8.034 2.792 ( 0.458 9.153 -3.581) 9.839 2.792 ( 0.458 9.153 3.581) 9.839 3.047 ( -3.114 3.731 -9.971) 11.093 3.047 ( -3.114 3.731 9.971) 11.093 3.225 ( -3.967 2.692 -9.423) 10.573 3.225 ( -3.967 2.692 9.423) 10.573 3.413 ( -2.089 11.452 -2.253) 11.857 3.413 ( -2.089 11.452 2.253) 11.857 3.561 ( -5.480 6.017 -6.260) 10.267 3.561 ( -5.480 6.017 6.260) 10.267 3.648 ( -2.450 14.951 -5.739) 16.201 3.648 ( -2.450 14.951 5.739) 16.201 3.901 ( 9.184 0.989 -1.992) 9.449 3.901 ( 9.184 0.989 1.992) 9.449 4.312 ( -5.006 2.678 -5.935) 8.213 4.312 ( -5.006 2.678 5.935) 8.213 4.407 ( -1.077 0.620 -2.384) 2.688 4.407 ( -1.077 0.620 2.384) 2.688 4.552 ( 5.630 18.789 -3.766) 19.972 4.552 ( 5.630 18.789 3.766) 19.972 4.809 ( 0.448 12.014 -1.137) 12.076 4.809 ( 0.448 12.014 1.137) 12.076 4.903 ( -0.206 16.748 -3.373) 17.086 4.903 ( -0.206 16.748 3.373) 17.086 5.243 ( -0.938 21.760 -3.771) 22.104 5.243 ( -0.938 21.760 3.771) 22.104 5.397 ( 0.378 5.275 -4.115) 6.701 5.397 ( 0.378 5.275 4.115) 6.701 5.761 ( 1.318 6.703 -0.745) 6.872 5.761 ( 1.318 6.703 0.745) 6.872 6.007 ( -2.360 2.402 -2.718) 4.327 6.007 ( -2.360 2.402 2.718) 4.327 7.098 ( -1.275 -4.736 -4.025) 6.345 7.098 ( -1.275 -4.736 4.025) 6.345 7.223 ( 3.100 -5.765 -3.003) 7.202 7.223 ( 3.100 -5.765 3.003) 7.202 7.947 ( 1.952 4.537 -2.460) 5.518 7.947 ( 1.952 4.537 2.460) 5.518 8.220 ( -2.444 1.421 -3.780) 4.721 8.220 ( -2.444 1.421 3.780) 4.721 8.687 ( 7.909 -7.208 -4.080) 11.452 8.687 ( 7.909 -7.208 4.080) 11.452 9.027 ( 5.798 -2.673 -6.934) 9.426 9.027 ( 5.798 -2.673 6.934) 9.426 9.086 ( 6.086 -8.235 -2.266) 10.488 9.086 ( 6.086 -8.235 2.266) 10.488 9.351 ( 3.454 5.326 -2.547) 6.840 9.351 ( 3.454 5.326 2.547) 6.840 9.894 ( -3.032 9.158 -6.158) 11.445 9.894 ( -3.032 9.158 6.158) 11.445 10.169 ( -16.966 -1.829 -2.451) 17.240 10.169 ( -16.966 -1.829 2.451) 17.240 10.687 ( -10.567 -1.399 -4.907) 11.734 10.687 ( -10.567 -1.399 4.907) 11.734 10.887 ( 1.990 4.518 -4.880) 6.942 10.887 ( 1.990 4.518 4.880) 6.942 11.117 ( 6.087 1.660 -6.068) 8.754 11.117 ( 6.087 1.660 6.068) 8.754 11.320 ( 5.591 -0.592 -2.719) 6.245 11.320 ( 5.591 -0.592 2.719) 6.245 11.804 ( 4.215 6.318 -1.597) 7.761 11.804 ( 4.215 6.318 1.597) 7.761 12.001 ( -5.915 -8.949 -2.667) 11.053 12.001 ( -5.915 -8.949 2.667) 11.053 12.216 ( -4.400 -15.631 -2.542) 16.437 12.216 ( -4.400 -15.631 2.542) 16.437 12.414 ( -0.817 -7.038 -1.059) 7.164 12.414 ( -0.817 -7.038 1.059) 7.164 14.888 ( 1.842 -5.313 -3.922) 6.855 14.888 ( 1.842 -5.313 3.922) 6.855 15.235 ( -0.106 -4.678 -5.485) 7.210 15.235 ( -0.106 -4.678 5.485) 7.210 15.584 ( -2.231 -12.310 -2.210) 12.704 15.584 ( -2.231 -12.310 2.210) 12.704 15.681 ( 2.782 -12.614 -2.631) 13.183 15.681 ( 2.782 -12.614 2.631) 13.183 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 4.544 7.659 -2.712) 9.309 2.003 ( 4.544 7.659 2.712) 9.309 2.098 ( -3.550 6.062 -5.113) 8.688 2.098 ( -3.550 6.062 5.113) 8.688 2.366 ( 5.447 9.256 -4.419) 11.614 2.366 ( 5.447 9.256 4.419) 11.614 2.503 ( -5.669 3.542 -9.172) 11.349 2.503 ( -5.669 3.542 9.172) 11.349 2.838 ( 5.150 3.379 -1.096) 6.256 2.838 ( 5.150 3.379 1.096) 6.256 3.063 ( -6.114 3.246 -0.746) 6.963 3.063 ( -6.114 3.246 0.746) 6.963 3.115 ( 5.120 2.465 -0.638) 5.719 3.115 ( 5.120 2.465 0.638) 5.719 3.363 ( -7.576 5.852 -1.595) 9.704 3.363 ( -7.576 5.852 1.595) 9.704 3.485 ( 0.881 14.753 -4.392) 15.418 3.485 ( 0.881 14.753 4.392) 15.418 3.596 ( -2.428 15.293 -3.283) 15.828 3.596 ( -2.428 15.293 3.283) 15.828 4.065 ( 7.748 3.305 -5.223) 9.912 4.065 ( 7.748 3.305 5.223) 9.912 4.204 ( -6.342 2.942 -7.715) 10.411 4.204 ( -6.342 2.942 7.715) 10.411 4.401 ( 0.257 -1.978 -0.747) 2.130 4.401 ( 0.257 -1.978 0.747) 2.130 4.655 ( 4.608 19.078 -3.273) 19.897 4.655 ( 4.608 19.078 3.273) 19.897 4.811 ( -1.459 17.500 -2.583) 17.750 4.811 ( -1.459 17.500 2.583) 17.750 4.869 ( -1.555 11.320 -3.883) 12.068 4.869 ( -1.555 11.320 3.883) 12.068 5.246 ( 0.648 23.421 -1.777) 23.497 5.246 ( 0.648 23.421 1.777) 23.497 5.398 ( -0.151 5.269 -1.667) 5.528 5.398 ( -0.151 5.269 1.667) 5.528 5.791 ( 1.410 4.959 -0.472) 5.177 5.791 ( 1.410 4.959 0.472) 5.177 5.958 ( -2.041 3.578 -1.719) 4.464 5.958 ( -2.041 3.578 1.719) 4.464 7.082 ( -0.364 -5.144 -1.306) 5.319 7.082 ( -0.364 -5.144 1.306) 5.319 7.274 ( 1.707 -6.001 -0.755) 6.284 7.274 ( 1.707 -6.001 0.755) 6.284 7.970 ( 0.465 4.570 -2.877) 5.420 7.970 ( 0.465 4.570 2.877) 5.420 8.182 ( -1.121 1.978 -3.215) 3.938 8.182 ( -1.121 1.978 3.215) 3.938 8.882 ( 9.838 -9.512 -4.748) 14.485 8.882 ( 9.838 -9.512 4.748) 14.485 9.050 ( -1.411 -2.764 -3.964) 5.035 9.050 ( -1.411 -2.764 3.964) 5.035 9.219 ( 3.716 -5.632 -2.116) 7.072 9.219 ( 3.716 -5.632 2.116) 7.072 9.518 ( 12.342 7.374 -3.511) 14.800 9.518 ( 12.342 7.374 3.511) 14.800 9.764 ( -9.356 -5.012 -4.409) 11.493 9.764 ( -9.356 -5.012 4.409) 11.493 9.898 ( -9.204 5.165 -0.672) 10.576 9.898 ( -9.204 5.165 0.672) 10.576 10.466 ( -8.759 -0.933 -2.188) 9.076 10.466 ( -8.759 -0.933 2.188) 9.076 10.922 ( 1.258 5.681 -1.485) 6.006 10.922 ( 1.258 5.681 1.485) 6.006 11.211 ( 3.336 5.637 -3.725) 7.535 11.211 ( 3.336 5.637 3.725) 7.535 11.425 ( 3.123 3.711 -1.376) 5.042 11.425 ( 3.123 3.711 1.376) 5.042 11.842 ( -1.155 0.166 -2.031) 2.342 11.842 ( -1.155 0.166 2.031) 2.342 11.959 ( 3.947 -9.220 -0.510) 10.042 11.959 ( 3.947 -9.220 0.510) 10.042 12.092 ( -7.658 -12.598 -1.742) 14.845 12.092 ( -7.658 -12.598 1.742) 14.845 12.403 ( -0.241 -8.833 -0.594) 8.856 12.403 ( -0.241 -8.833 0.594) 8.856 14.920 ( 1.137 -6.477 -1.543) 6.754 14.920 ( 1.137 -6.477 1.543) 6.754 15.239 ( 0.381 -6.170 -2.068) 6.519 15.239 ( 0.381 -6.170 2.068) 6.519 15.541 ( -1.616 -9.668 -0.644) 9.823 15.541 ( -1.616 -9.668 0.644) 9.823 15.727 ( 1.490 -12.920 -1.016) 13.045 15.727 ( 1.490 -12.920 1.016) 13.045 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 0.000 7.683 -0.858) 7.730 2.072 ( 0.000 7.683 0.858) 7.730 2.257 ( 0.000 0.970 -1.284) 1.609 2.257 ( 0.000 0.970 1.284) 1.609 2.377 ( 0.000 2.256 -4.157) 4.730 2.377 ( 0.000 2.256 4.157) 4.730 2.503 ( 0.000 4.245 -1.246) 4.424 2.503 ( 0.000 4.245 1.246) 4.424 2.985 ( 0.000 9.168 -3.960) 9.987 2.985 ( 0.000 9.168 3.960) 9.987 3.186 ( 0.000 3.446 -8.590) 9.256 3.186 ( 0.000 3.446 8.590) 9.256 3.270 ( 0.000 2.152 -8.135) 8.415 3.270 ( 0.000 2.152 8.135) 8.415 3.610 ( 0.000 -2.903 -6.686) 7.289 3.610 ( 0.000 -2.903 6.686) 7.289 3.620 ( 0.000 0.025 -6.425) 6.426 3.620 ( 0.000 0.025 6.425) 6.426 3.773 ( 0.000 3.522 -4.838) 5.984 3.773 ( 0.000 3.522 4.838) 5.984 3.946 ( 0.000 9.020 -3.793) 9.785 3.946 ( 0.000 9.020 3.793) 9.785 4.279 ( 0.000 -5.157 -7.932) 9.461 4.279 ( 0.000 -5.157 7.932) 9.461 4.398 ( 0.000 -1.371 -2.636) 2.971 4.398 ( 0.000 -1.371 2.636) 2.971 4.667 ( 0.000 -0.055 -1.984) 1.985 4.667 ( 0.000 -0.055 1.984) 1.985 5.167 ( 0.000 21.668 -3.619) 21.968 5.167 ( 0.000 21.668 3.619) 21.968 5.303 ( 0.000 14.661 -0.921) 14.690 5.303 ( 0.000 14.661 0.921) 14.690 5.495 ( 0.000 9.813 -1.151) 9.880 5.495 ( 0.000 9.813 1.151) 9.880 5.711 ( 0.000 19.324 -1.190) 19.361 5.711 ( 0.000 19.324 1.190) 19.361 5.946 ( 0.000 10.865 -3.277) 11.348 5.946 ( 0.000 10.865 3.277) 11.348 6.060 ( 0.000 0.387 -2.581) 2.610 6.060 ( 0.000 0.387 2.581) 2.610 7.005 ( 0.000 -4.690 -6.535) 8.044 7.005 ( 0.000 -4.690 6.535) 8.044 7.121 ( 0.000 -1.136 -4.456) 4.599 7.121 ( 0.000 -1.136 4.456) 4.599 8.009 ( 0.000 2.537 -1.064) 2.751 8.009 ( 0.000 2.537 1.064) 2.751 8.227 ( 0.000 -1.791 -3.786) 4.189 8.227 ( 0.000 -1.791 3.786) 4.189 8.556 ( 0.000 -0.290 -4.010) 4.020 8.556 ( 0.000 -0.290 4.010) 4.020 8.879 ( 0.000 2.158 -4.895) 5.349 8.879 ( 0.000 2.158 4.895) 5.349 8.956 ( 0.000 -3.706 -3.532) 5.119 8.956 ( 0.000 -3.706 3.532) 5.119 9.439 ( 0.000 7.223 -5.384) 9.009 9.439 ( 0.000 7.223 5.384) 9.009 10.019 ( 0.000 -5.086 -11.696) 12.754 10.019 ( 0.000 -5.086 11.696) 12.754 10.322 ( 0.000 -6.757 -4.223) 7.968 10.322 ( 0.000 -6.757 4.223) 7.968 10.552 ( 0.000 -11.097 -1.484) 11.196 10.552 ( 0.000 -11.097 1.484) 11.196 10.797 ( 0.000 0.535 -4.381) 4.413 10.797 ( 0.000 0.535 4.381) 4.413 11.130 ( 0.000 -0.672 -1.372) 1.528 11.130 ( 0.000 -0.672 1.372) 1.528 11.383 ( 0.000 6.942 -1.439) 7.089 11.383 ( 0.000 6.942 1.439) 7.089 11.604 ( 0.000 -18.124 -4.310) 18.629 11.604 ( 0.000 -18.124 4.310) 18.629 11.960 ( 0.000 -0.142 -6.531) 6.533 11.960 ( 0.000 -0.142 6.531) 6.533 12.135 ( 0.000 1.439 -2.538) 2.918 12.135 ( 0.000 1.439 2.538) 2.918 12.332 ( 0.000 -3.315 -3.314) 4.687 12.332 ( 0.000 -3.315 3.314) 4.687 14.798 ( 0.000 -2.096 -6.181) 6.527 14.798 ( 0.000 -2.096 6.181) 6.527 15.174 ( 0.000 -3.037 -6.485) 7.161 15.174 ( 0.000 -3.037 6.485) 7.161 15.280 ( 0.000 -13.370 -2.938) 13.689 15.280 ( 0.000 -13.370 2.938) 13.689 15.552 ( 0.000 -1.905 -1.616) 2.498 15.552 ( 0.000 -1.905 1.616) 2.498 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 1.958 7.151 -0.626) 7.441 2.092 ( 1.958 7.151 0.626) 7.441 2.236 ( -1.718 2.165 -1.990) 3.405 2.236 ( -1.718 2.165 1.990) 3.405 2.412 ( 2.772 2.343 -4.275) 5.608 2.412 ( 2.772 2.343 4.275) 5.608 2.515 ( 1.151 1.104 -3.543) 3.885 2.515 ( 1.151 1.104 3.543) 3.885 2.989 ( -1.238 9.181 -1.227) 9.345 2.989 ( -1.238 9.181 1.227) 9.345 3.109 ( -1.115 3.976 -7.454) 8.521 3.109 ( -1.115 3.976 7.454) 8.521 3.289 ( -3.808 3.875 -8.162) 9.804 3.289 ( -3.808 3.875 8.162) 9.804 3.540 ( -2.589 2.515 -3.639) 5.125 3.540 ( -2.589 2.515 3.639) 5.125 3.626 ( 0.734 -0.618 -11.215) 11.256 3.626 ( 0.734 -0.618 11.215) 11.256 3.892 ( 7.369 0.301 -5.283) 9.072 3.892 ( 7.369 0.301 5.283) 9.072 3.909 ( -2.381 7.323 -6.210) 9.892 3.909 ( -2.381 7.323 6.210) 9.892 4.264 ( -1.366 -2.161 -5.137) 5.738 4.264 ( -1.366 -2.161 5.137) 5.738 4.377 ( -2.115 -1.068 -2.888) 3.735 4.377 ( -2.115 -1.068 2.888) 3.735 4.682 ( 1.267 -3.040 -1.872) 3.788 4.682 ( 1.267 -3.040 1.872) 3.788 5.167 ( 0.309 20.562 -3.361) 20.837 5.167 ( 0.309 20.562 3.361) 20.837 5.286 ( -1.779 14.403 -2.130) 14.668 5.286 ( -1.779 14.403 2.130) 14.668 5.529 ( 3.033 11.616 -0.962) 12.044 5.529 ( 3.033 11.616 0.962) 12.044 5.717 ( 0.560 19.943 -1.128) 19.982 5.717 ( 0.560 19.943 1.128) 19.982 5.948 ( 0.333 10.506 -2.878) 10.898 5.948 ( 0.333 10.506 2.878) 10.898 6.045 ( -1.434 1.147 -2.417) 3.035 6.045 ( -1.434 1.147 2.417) 3.035 6.996 ( -0.729 -4.059 -4.645) 6.212 6.996 ( -0.729 -4.059 4.645) 6.212 7.143 ( 1.822 -2.513 -3.206) 4.462 7.143 ( 1.822 -2.513 3.206) 4.462 8.038 ( 2.378 3.951 -2.771) 5.380 8.038 ( 2.378 3.951 2.771) 5.380 8.243 ( 1.094 0.829 -2.938) 3.243 8.243 ( 1.094 0.829 2.938) 3.243 8.577 ( 3.538 -3.393 -4.972) 6.982 8.577 ( 3.538 -3.393 4.972) 6.982 8.936 ( 2.830 -4.631 -3.950) 6.712 8.936 ( 2.830 -4.631 3.950) 6.712 9.010 ( 6.641 0.211 -2.461) 7.086 9.010 ( 6.641 0.211 2.461) 7.086 9.477 ( 4.673 7.100 -4.757) 9.740 9.477 ( 4.673 7.100 4.757) 9.740 9.858 ( -15.343 -11.495 -8.506) 20.973 9.858 ( -15.343 -11.495 8.506) 20.973 10.186 ( -8.375 2.797 -0.866) 8.873 10.186 ( -8.375 2.797 0.866) 8.873 10.688 ( -3.732 -1.210 -4.513) 5.980 10.688 ( -3.732 -1.210 4.513) 5.980 10.744 ( 6.153 -10.037 -1.330) 11.848 10.744 ( 6.153 -10.037 1.330) 11.848 11.125 ( 0.478 -3.431 -2.710) 4.398 11.125 ( 0.478 -3.431 2.710) 4.398 11.397 ( 1.383 3.161 -6.933) 7.744 11.397 ( 1.383 3.161 6.933) 7.744 11.655 ( 3.862 -13.970 -6.188) 15.760 11.655 ( 3.862 -13.970 6.188) 15.760 11.946 ( -1.341 1.952 -6.343) 6.770 11.946 ( -1.341 1.952 6.343) 6.770 12.106 ( -2.974 2.329 -2.105) 4.324 12.106 ( -2.974 2.329 2.105) 4.324 12.301 ( -2.448 -4.446 -3.147) 5.972 12.301 ( -2.448 -4.446 3.147) 5.972 14.803 ( 0.449 -2.966 -4.646) 5.530 14.803 ( 0.449 -2.966 4.646) 5.530 15.126 ( -2.956 -6.328 -3.219) 7.690 15.126 ( -2.956 -6.328 3.219) 7.690 15.343 ( 4.339 -8.999 -5.128) 11.230 15.343 ( 4.339 -8.999 5.128) 11.230 15.552 ( -0.023 -2.381 -2.644) 3.558 15.552 ( -0.023 -2.381 2.644) 3.558 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 2.700 5.776 -1.140) 6.477 2.139 ( 2.700 5.776 1.140) 6.477 2.197 ( -2.385 3.822 -2.417) 5.112 2.197 ( -2.385 3.822 2.417) 5.112 2.465 ( 2.407 0.732 -3.248) 4.109 2.465 ( 2.407 0.732 3.248) 4.109 2.526 ( -0.503 -0.569 -4.321) 4.387 2.526 ( -0.503 -0.569 4.321) 4.387 2.953 ( -0.659 6.780 -1.123) 6.904 2.953 ( -0.659 6.780 1.123) 6.904 3.143 ( -1.714 5.660 -5.151) 7.842 3.143 ( -1.714 5.660 5.151) 7.842 3.215 ( 2.602 7.456 -5.908) 9.862 3.215 ( 2.602 7.456 5.908) 9.862 3.442 ( -6.372 2.339 -2.099) 7.105 3.442 ( -6.372 2.339 2.099) 7.105 3.698 ( 4.512 4.462 -7.646) 9.937 3.698 ( 4.512 4.462 7.646) 9.937 3.829 ( -3.786 5.776 -5.945) 9.112 3.829 ( -3.786 5.776 5.945) 9.112 4.047 ( 6.634 -2.953 -1.071) 7.340 4.047 ( 6.634 -2.953 1.071) 7.340 4.213 ( -4.076 0.857 -1.042) 4.294 4.213 ( -4.076 0.857 1.042) 4.294 4.345 ( -0.617 -0.480 -1.983) 2.131 4.345 ( -0.617 -0.480 1.983) 2.131 4.702 ( 0.562 -6.374 -0.920) 6.465 4.702 ( 0.562 -6.374 0.920) 6.465 5.187 ( 1.651 17.436 -2.835) 17.742 5.187 ( 1.651 17.436 2.835) 17.742 5.242 ( -2.344 16.650 -2.656) 17.022 5.242 ( -2.344 16.650 2.656) 17.022 5.582 ( 1.822 12.657 -0.522) 12.798 5.582 ( 1.822 12.657 0.522) 12.798 5.725 ( 0.191 21.261 -0.593) 21.270 5.725 ( 0.191 21.261 0.593) 21.270 5.960 ( 0.728 10.331 -1.680) 10.492 5.960 ( 0.728 10.331 1.680) 10.492 6.015 ( -1.401 1.985 -1.528) 2.871 6.015 ( -1.401 1.985 1.528) 2.871 6.986 ( -0.274 -3.791 -1.592) 4.121 6.986 ( -0.274 -3.791 1.592) 4.121 7.173 ( 0.978 -4.000 -1.184) 4.285 7.173 ( 0.978 -4.000 1.184) 4.285 8.087 ( 2.405 6.696 -3.686) 8.013 8.087 ( 2.405 6.696 3.686) 8.013 8.230 ( -2.043 3.001 -4.176) 5.534 8.230 ( -2.043 3.001 4.176) 5.534 8.716 ( 8.249 -6.397 -4.375) 11.318 8.716 ( 8.249 -6.397 4.375) 11.318 8.976 ( 2.018 -5.197 -6.039) 8.219 8.976 ( 2.018 -5.197 6.039) 8.219 9.104 ( 0.622 -4.506 -2.563) 5.221 9.104 ( 0.622 -4.506 2.563) 5.221 9.547 ( -9.054 -11.099 -1.787) 14.434 9.547 ( -9.054 -11.099 1.787) 14.434 9.680 ( 12.523 5.071 -3.019) 13.844 9.680 ( 12.523 5.071 3.019) 13.844 9.975 ( -14.594 2.875 -4.229) 15.464 9.975 ( -14.594 2.875 4.229) 15.464 10.559 ( -4.252 9.421 -2.017) 10.531 10.559 ( -4.252 9.421 2.017) 10.531 10.876 ( 3.685 -11.733 -1.292) 12.366 10.876 ( 3.685 -11.733 1.292) 12.366 11.157 ( 1.974 -10.734 -2.880) 11.288 11.157 ( 1.974 -10.734 2.880) 11.288 11.420 ( 0.560 -5.386 -4.684) 7.160 11.420 ( 0.560 -5.386 4.684) 7.160 11.717 ( 2.421 -2.589 -2.469) 4.319 11.717 ( 2.421 -2.589 2.469) 4.319 11.908 ( -2.483 2.225 -1.652) 3.720 11.908 ( -2.483 2.225 1.652) 3.720 12.048 ( -1.864 3.937 -1.005) 4.470 12.048 ( -1.864 3.937 1.005) 4.470 12.267 ( -0.910 -6.036 -1.442) 6.272 12.267 ( -0.910 -6.036 1.442) 6.272 14.812 ( 0.342 -3.941 -1.610) 4.271 14.812 ( 0.342 -3.941 1.610) 4.271 15.087 ( -1.102 -8.591 -0.815) 8.700 15.087 ( -1.102 -8.591 0.815) 8.700 15.405 ( 1.750 -3.826 -2.909) 5.114 15.405 ( 1.750 -3.826 2.909) 5.114 15.553 ( 0.113 -4.737 -1.850) 5.086 15.553 ( 0.113 -4.737 1.850) 5.086 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( 0.000 4.366 -0.750) 4.430 2.194 ( 0.000 4.366 0.750) 4.430 2.267 ( 0.000 -0.029 -2.207) 2.207 2.267 ( 0.000 -0.029 2.207) 2.207 2.421 ( 0.000 2.546 -0.367) 2.572 2.421 ( 0.000 2.546 0.367) 2.572 2.536 ( 0.000 -0.781 -0.436) 0.894 2.536 ( 0.000 -0.781 0.436) 0.894 3.126 ( 0.000 4.537 -3.459) 5.705 3.126 ( 0.000 4.537 3.459) 5.705 3.254 ( 0.000 1.658 -4.159) 4.477 3.254 ( 0.000 1.658 4.159) 4.477 3.340 ( 0.000 5.549 -3.568) 6.597 3.340 ( 0.000 5.549 3.568) 6.597 3.529 ( 0.000 -3.559 -1.739) 3.961 3.529 ( 0.000 -3.559 1.739) 3.961 3.574 ( 0.000 -3.141 -4.573) 5.548 3.574 ( 0.000 -3.141 4.573) 5.548 3.867 ( 0.000 3.239 -1.870) 3.740 3.867 ( 0.000 3.239 1.870) 3.740 3.992 ( 0.000 -0.874 -0.356) 0.943 3.992 ( 0.000 -0.874 0.356) 0.943 4.246 ( 0.000 -0.796 -1.625) 1.809 4.246 ( 0.000 -0.796 1.625) 1.809 4.349 ( 0.000 -2.542 -0.437) 2.580 4.349 ( 0.000 -2.542 0.437) 2.580 4.677 ( 0.000 1.945 -0.414) 1.988 4.677 ( 0.000 1.945 0.414) 1.988 5.420 ( 0.000 2.148 -1.244) 2.482 5.420 ( 0.000 2.148 1.244) 2.482 5.534 ( 0.000 12.007 -3.109) 12.403 5.534 ( 0.000 12.007 3.109) 12.403 5.751 ( 0.000 11.574 -0.307) 11.578 5.751 ( 0.000 11.574 0.307) 11.578 6.000 ( 0.000 -0.732 -1.263) 1.460 6.000 ( 0.000 -0.732 1.263) 1.460 6.028 ( 0.000 8.873 -0.229) 8.876 6.028 ( 0.000 8.873 0.229) 8.876 6.169 ( 0.000 7.717 -1.311) 7.827 6.169 ( 0.000 7.717 1.311) 7.827 6.972 ( 0.000 0.764 -2.789) 2.892 6.972 ( 0.000 0.764 2.789) 2.892 7.101 ( 0.000 -1.175 -3.232) 3.439 7.101 ( 0.000 -1.175 3.232) 3.439 8.010 ( 0.000 -1.645 -0.851) 1.852 8.010 ( 0.000 -1.645 0.851) 1.852 8.194 ( 0.000 -1.352 -2.902) 3.202 8.194 ( 0.000 -1.352 2.902) 3.202 8.594 ( 0.000 3.348 -1.444) 3.646 8.594 ( 0.000 3.348 1.444) 3.646 8.910 ( 0.000 -0.752 -4.793) 4.852 8.910 ( 0.000 -0.752 4.793) 4.852 9.008 ( 0.000 9.187 -2.722) 9.581 9.008 ( 0.000 9.187 2.722) 9.581 9.607 ( 0.000 6.794 -4.085) 7.927 9.607 ( 0.000 6.794 4.085) 7.927 9.738 ( 0.000 -14.315 -7.541) 16.180 9.738 ( 0.000 -14.315 7.541) 16.180 10.184 ( 0.000 -8.660 -5.726) 10.382 10.184 ( 0.000 -8.660 5.726) 10.382 10.431 ( 0.000 -1.682 -1.695) 2.388 10.431 ( 0.000 -1.682 1.695) 2.388 10.762 ( 0.000 -9.359 -9.034) 13.008 10.762 ( 0.000 -9.359 9.034) 13.008 11.037 ( 0.000 -0.196 -11.977) 11.979 11.037 ( 0.000 -0.196 11.977) 11.979 11.322 ( 0.000 -8.098 -7.023) 10.719 11.322 ( 0.000 -8.098 7.023) 10.719 11.524 ( 0.000 4.295 -0.630) 4.341 11.524 ( 0.000 4.295 0.630) 4.341 11.920 ( 0.000 -2.717 -6.764) 7.290 11.920 ( 0.000 -2.717 6.764) 7.290 12.203 ( 0.000 3.554 -0.659) 3.614 12.203 ( 0.000 3.554 0.659) 3.614 12.296 ( 0.000 -0.756 -2.725) 2.828 12.296 ( 0.000 -0.756 2.725) 2.828 14.777 ( 0.000 -0.288 -5.558) 5.565 14.777 ( 0.000 -0.288 5.558) 5.565 15.047 ( 0.000 -7.175 -1.710) 7.376 15.047 ( 0.000 -7.175 1.710) 7.376 15.157 ( 0.000 -0.996 -1.760) 2.022 15.157 ( 0.000 -0.996 1.760) 2.022 15.540 ( 0.000 0.133 -1.043) 1.052 15.540 ( 0.000 0.133 1.043) 1.052 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 1.317 4.243 -0.584) 4.481 2.208 ( 1.317 4.243 0.584) 4.481 2.266 ( -0.158 0.852 -1.930) 2.115 2.266 ( -0.158 0.852 1.930) 2.115 2.432 ( 0.954 0.677 -2.105) 2.408 2.432 ( 0.954 0.677 2.105) 2.408 2.516 ( -1.682 -1.281 -1.352) 2.510 2.516 ( -1.682 -1.281 1.352) 2.510 3.118 ( -1.810 4.284 -4.586) 6.531 3.118 ( -1.810 4.284 4.586) 6.531 3.232 ( 1.727 6.492 -3.513) 7.581 3.232 ( 1.727 6.492 3.513) 7.581 3.377 ( -0.705 3.833 -4.920) 6.277 3.377 ( -0.705 3.833 4.920) 6.277 3.529 ( -1.642 -4.268 -6.632) 8.056 3.529 ( -1.642 -4.268 6.632) 8.056 3.576 ( 3.800 -0.397 -5.841) 6.980 3.576 ( 3.800 -0.397 5.841) 6.980 3.880 ( 0.039 -4.972 -5.403) 7.343 3.880 ( 0.039 -4.972 5.403) 7.343 3.974 ( -0.530 5.036 -1.078) 5.178 3.974 ( -0.530 5.036 1.078) 5.178 4.289 ( 2.035 0.063 -3.483) 4.035 4.289 ( 2.035 0.063 3.483) 4.035 4.322 ( -0.908 -2.859 -1.339) 3.285 4.322 ( -0.908 -2.859 1.339) 3.285 4.646 ( -3.016 0.640 -0.569) 3.135 4.646 ( -3.016 0.640 0.569) 3.135 5.418 ( -0.136 4.069 -1.677) 4.403 5.418 ( -0.136 4.069 1.677) 4.403 5.515 ( -1.387 10.074 -3.187) 10.657 5.515 ( -1.387 10.074 3.187) 10.657 5.790 ( 3.153 11.516 -0.397) 11.947 5.790 ( 3.153 11.516 0.397) 11.947 6.006 ( 0.657 -0.304 -0.677) 0.991 6.006 ( 0.657 -0.304 0.677) 0.991 6.045 ( 1.474 9.840 -0.378) 9.957 6.045 ( 1.474 9.840 0.378) 9.957 6.168 ( -0.196 7.697 -0.982) 7.762 6.168 ( -0.196 7.697 0.982) 7.762 6.964 ( -0.703 0.823 -2.439) 2.668 6.964 ( -0.703 0.823 2.439) 2.668 7.097 ( -0.165 -2.470 -2.831) 3.760 7.097 ( -0.165 -2.470 2.831) 3.760 8.090 ( 6.807 1.476 -0.815) 7.013 8.090 ( 6.807 1.476 0.815) 7.013 8.243 ( 5.542 -1.351 -2.187) 6.109 8.243 ( 5.542 -1.351 2.187) 6.109 8.559 ( -2.813 1.693 -3.242) 4.614 8.559 ( -2.813 1.693 3.242) 4.614 8.908 ( -0.199 0.895 -3.219) 3.347 8.908 ( -0.199 0.895 3.219) 3.347 9.044 ( 2.642 3.376 -2.577) 5.002 9.044 ( 2.642 3.376 2.577) 5.002 9.529 ( -12.344 -11.964 -4.185) 17.693 9.529 ( -12.344 -11.964 4.185) 17.693 9.688 ( 2.022 7.184 -3.973) 8.455 9.688 ( 2.022 7.184 3.973) 8.455 10.208 ( -0.893 -2.448 -2.683) 3.740 10.208 ( -0.893 -2.448 2.683) 3.740 10.440 ( 2.316 -9.878 -3.740) 10.813 10.440 ( 2.316 -9.878 3.740) 10.813 10.751 ( -1.064 -6.401 -7.724) 10.088 10.751 ( -1.064 -6.401 7.724) 10.088 10.986 ( -4.138 -0.909 -7.362) 8.494 10.986 ( -4.138 -0.909 7.362) 8.494 11.303 ( -1.689 -7.950 -5.516) 9.822 11.303 ( -1.689 -7.950 5.516) 9.822 11.611 ( 7.703 3.416 -1.358) 8.536 11.611 ( 7.703 3.416 1.358) 8.536 11.947 ( 2.443 -1.234 -5.634) 6.264 11.947 ( 2.443 -1.234 5.634) 6.264 12.175 ( -3.216 3.118 -1.698) 4.790 12.175 ( -3.216 3.118 1.698) 4.790 12.245 ( -4.388 -1.267 -3.979) 6.058 12.245 ( -4.388 -1.267 3.979) 6.058 14.766 ( -0.564 -0.838 -3.879) 4.009 14.766 ( -0.564 -0.838 3.879) 4.009 14.993 ( -3.959 -5.692 -1.154) 7.028 14.993 ( -3.959 -5.692 1.154) 7.028 15.245 ( 6.897 -1.838 -3.507) 7.953 15.245 ( 6.897 -1.838 3.507) 7.953 15.533 ( -0.931 -0.087 -1.398) 1.681 15.533 ( -0.931 -0.087 1.398) 1.681 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( 1.396 3.628 -0.448) 3.913 2.236 ( 1.396 3.628 0.448) 3.913 2.257 ( -0.797 2.301 -1.323) 2.771 2.257 ( -0.797 2.301 1.323) 2.771 2.446 ( 0.230 -1.398 -3.242) 3.538 2.446 ( 0.230 -1.398 3.242) 3.538 2.493 ( -0.433 -2.439 -2.306) 3.384 2.493 ( -0.433 -2.439 2.306) 3.384 3.083 ( -1.127 6.352 -2.068) 6.774 3.083 ( -1.127 6.352 2.068) 6.774 3.287 ( 1.035 7.015 -0.925) 7.151 3.287 ( 1.035 7.015 0.925) 7.151 3.359 ( 2.356 2.159 -1.509) 3.534 3.359 ( 2.356 2.159 1.509) 3.534 3.460 ( -4.654 3.579 -1.666) 6.103 3.460 ( -4.654 3.579 1.666) 6.103 3.682 ( 4.404 -4.122 -6.117) 8.591 3.682 ( 4.404 -4.122 6.117) 8.591 3.850 ( -2.002 -3.597 -6.564) 7.748 3.850 ( -2.002 -3.597 6.564) 7.748 3.998 ( 2.082 1.170 -1.703) 2.933 3.998 ( 2.082 1.170 1.703) 2.933 4.231 ( -3.574 -1.751 -1.969) 4.440 4.231 ( -3.574 -1.751 1.969) 4.440 4.391 ( 3.681 3.393 -1.360) 5.188 4.391 ( 3.681 3.393 1.360) 5.188 4.580 ( -2.966 -3.607 -0.741) 4.729 4.580 ( -2.966 -3.607 0.741) 4.729 5.418 ( 0.056 7.033 -0.969) 7.100 5.418 ( 0.056 7.033 0.969) 7.100 5.495 ( -0.579 7.487 -1.590) 7.676 5.495 ( -0.579 7.487 1.590) 7.676 5.839 ( 1.527 10.979 -0.153) 11.086 5.839 ( 1.527 10.979 0.153) 11.086 6.018 ( 0.399 0.238 -0.177) 0.497 6.018 ( 0.399 0.238 0.177) 0.497 6.072 ( 0.994 11.745 -0.083) 11.787 6.072 ( 0.994 11.745 0.083) 11.787 6.162 ( -0.278 7.443 -0.353) 7.456 6.162 ( -0.278 7.443 0.353) 7.456 6.951 ( -0.453 0.675 -0.971) 1.267 6.951 ( -0.453 0.675 0.971) 1.267 7.097 ( 0.113 -3.958 -1.141) 4.121 7.097 ( 0.113 -3.958 1.141) 4.121 8.216 ( 6.314 5.635 -2.496) 8.824 8.216 ( 6.314 5.635 2.496) 8.824 8.318 ( -2.290 5.257 -2.689) 6.334 8.318 ( -2.290 5.257 2.689) 6.334 8.602 ( 10.069 -5.354 -2.395) 11.653 8.602 ( 10.069 -5.354 2.395) 11.653 8.887 ( -3.626 -3.032 -5.625) 7.347 8.887 ( -3.626 -3.032 5.625) 7.347 9.023 ( -5.528 -2.777 -5.559) 8.317 9.023 ( -5.528 -2.777 5.559) 8.317 9.313 ( -5.362 -11.610 -0.941) 12.823 9.313 ( -5.362 -11.610 0.941) 12.823 9.775 ( 4.892 7.438 -2.451) 9.234 9.775 ( 4.892 7.438 2.451) 9.234 10.123 ( -5.416 10.227 -2.898) 11.930 10.123 ( -5.416 10.227 2.898) 11.930 10.516 ( 3.642 -19.575 -2.988) 20.134 10.516 ( 3.642 -19.575 2.988) 20.134 10.728 ( -0.989 -2.034 -3.660) 4.302 10.728 ( -0.989 -2.034 3.660) 4.302 10.917 ( -2.419 -3.121 -2.215) 4.527 10.917 ( -2.419 -3.121 2.215) 4.527 11.272 ( -1.099 -8.116 -1.895) 8.407 11.272 ( -1.099 -8.116 1.895) 8.407 11.769 ( 7.517 4.300 -1.016) 8.720 11.769 ( 7.517 4.300 1.016) 8.720 11.969 ( -2.193 2.040 -0.498) 3.036 11.969 ( -2.193 2.040 0.498) 3.036 12.107 ( -1.169 0.862 -4.208) 4.451 12.107 ( -1.169 0.862 4.208) 4.451 12.169 ( -3.233 -2.464 -4.247) 5.879 12.169 ( -3.233 -2.464 4.247) 5.879 14.767 ( 0.510 -0.510 -1.405) 1.579 14.767 ( 0.510 -0.510 1.405) 1.579 14.925 ( -2.492 -6.668 -0.364) 7.128 14.925 ( -2.492 -6.668 0.364) 7.128 15.372 ( 5.382 -0.103 -2.370) 5.881 15.372 ( 5.382 -0.103 2.370) 5.881 15.498 ( -2.519 -1.381 -1.587) 3.282 15.498 ( -2.519 -1.381 1.587) 3.282 ======================= Grid point 220 (70/72) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 0.000 0.000 -0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 -0.000 -0.000) 0.000 2.252 ( 0.000 -0.000 0.000) 0.000 2.466 ( 0.000 0.000 -0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.506 ( 0.000 0.000 -0.000) 0.000 2.506 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 -0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 -0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 -0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 -0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 -0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 -0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 -0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 -0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 -0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 -0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 5.889 ( 0.000 -0.000 -0.000) 0.000 5.889 ( 0.000 -0.000 0.000) 0.000 5.954 ( 0.000 0.000 -0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 -0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 -0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.993 ( 0.000 0.000 -0.000) 0.000 6.993 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 -0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 -0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.641 ( 0.000 0.000 -0.000) 0.000 8.641 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 -0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 9.157 ( 0.000 0.000 -0.000) 0.000 9.157 ( 0.000 0.000 0.000) 0.000 9.474 ( 0.000 0.000 -0.000) 0.000 9.474 ( 0.000 0.000 0.000) 0.000 9.796 ( 0.000 0.000 -0.000) 0.000 9.796 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 -0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 -0.000 -0.000) 0.000 10.449 ( 0.000 -0.000 0.000) 0.000 10.575 ( 0.000 0.000 -0.000) 0.000 10.575 ( 0.000 0.000 0.000) 0.000 11.151 ( 0.000 0.000 -0.000) 0.000 11.151 ( 0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 -0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.890 ( 0.000 0.000 -0.000) 0.000 11.890 ( 0.000 0.000 0.000) 0.000 12.246 ( 0.000 0.000 -0.000) 0.000 12.246 ( 0.000 0.000 0.000) 0.000 12.285 ( 0.000 0.000 -0.000) 0.000 12.285 ( 0.000 0.000 0.000) 0.000 14.776 ( 0.000 0.000 -0.000) 0.000 14.776 ( 0.000 0.000 0.000) 0.000 14.972 ( 0.000 0.000 -0.000) 0.000 14.972 ( 0.000 0.000 0.000) 0.000 15.150 ( 0.000 0.000 0.000) 0.000 15.150 ( 0.000 0.000 0.000) 0.000 15.543 ( 0.000 0.000 -0.000) 0.000 15.543 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 0.633 0.000 -0.000) 0.633 2.258 ( 0.633 0.000 0.000) 0.633 2.268 ( 1.360 0.000 -0.000) 1.360 2.268 ( 1.360 0.000 0.000) 1.360 2.449 ( -1.393 0.000 -0.000) 1.393 2.449 ( -1.393 0.000 0.000) 1.393 2.488 ( -1.656 0.000 -0.000) 1.656 2.488 ( -1.656 0.000 0.000) 1.656 3.171 ( 0.385 0.000 -0.000) 0.385 3.171 ( 0.385 0.000 0.000) 0.385 3.305 ( 2.190 0.000 -0.000) 2.190 3.305 ( 2.190 0.000 0.000) 2.190 3.409 ( -3.611 0.000 -0.000) 3.611 3.409 ( -3.611 0.000 0.000) 3.611 3.459 ( 3.859 0.000 -0.000) 3.859 3.459 ( 3.859 0.000 0.000) 3.859 3.617 ( 4.192 0.000 0.000) 4.192 3.617 ( 4.192 0.000 0.000) 4.192 3.780 ( -4.739 0.000 -0.000) 4.739 3.780 ( -4.739 0.000 0.000) 4.739 4.121 ( 2.555 0.000 -0.000) 2.555 4.121 ( 2.555 0.000 0.000) 2.555 4.146 ( -1.268 -0.000 -0.000) 1.268 4.146 ( -1.268 -0.000 0.000) 1.268 4.349 ( 1.268 0.000 0.000) 1.268 4.349 ( 1.268 0.000 0.000) 1.268 4.663 ( -4.183 0.000 -0.000) 4.183 4.663 ( -4.183 0.000 0.000) 4.183 5.453 ( 1.789 0.000 -0.000) 1.789 5.453 ( 1.789 0.000 0.000) 1.789 5.616 ( -3.284 0.000 -0.000) 3.284 5.616 ( -3.284 0.000 0.000) 3.284 5.937 ( 3.615 -0.000 -0.000) 3.615 5.937 ( 3.615 -0.000 0.000) 3.615 5.966 ( 1.108 0.000 -0.000) 1.108 5.966 ( 1.108 0.000 0.000) 1.108 6.157 ( 1.981 0.000 -0.000) 1.981 6.157 ( 1.981 0.000 0.000) 1.981 6.250 ( -0.316 0.000 -0.000) 0.316 6.250 ( -0.316 0.000 0.000) 0.316 6.995 ( 0.199 0.000 -0.000) 0.199 6.995 ( 0.199 0.000 0.000) 0.199 7.053 ( -2.263 0.000 0.000) 2.263 7.053 ( -2.263 0.000 0.000) 2.263 8.110 ( 11.990 0.000 -0.000) 11.990 8.110 ( 11.990 0.000 0.000) 11.990 8.213 ( 3.534 0.000 -0.000) 3.534 8.213 ( 3.534 0.000 0.000) 3.534 8.596 ( -4.264 0.000 -0.000) 4.264 8.596 ( -4.264 0.000 0.000) 4.264 8.913 ( 0.447 0.000 -0.000) 0.447 8.913 ( 0.447 0.000 0.000) 0.447 9.136 ( -1.969 0.000 -0.000) 1.969 9.136 ( -1.969 0.000 0.000) 1.969 9.323 ( -13.855 0.000 0.000) 13.855 9.323 ( -13.855 0.000 0.000) 13.855 9.869 ( 6.750 0.000 0.000) 6.750 9.869 ( 6.750 0.000 0.000) 6.750 10.056 ( 1.707 0.000 -0.000) 1.707 10.056 ( 1.707 0.000 0.000) 1.707 10.441 ( -0.699 0.000 -0.000) 0.699 10.441 ( -0.699 0.000 0.000) 0.699 10.555 ( -2.105 0.000 -0.000) 2.105 10.555 ( -2.105 0.000 0.000) 2.105 11.125 ( -3.148 -0.001 -0.001) 3.148 11.125 ( -3.148 -0.001 0.001) 3.148 11.127 ( -2.254 0.001 -0.001) 2.254 11.127 ( -2.254 0.001 0.001) 2.254 11.652 ( 7.632 0.000 -0.000) 7.632 11.652 ( 7.632 0.000 0.000) 7.632 11.929 ( 3.652 0.000 -0.000) 3.652 11.929 ( 3.652 0.000 0.000) 3.652 12.221 ( -6.172 -0.001 -0.001) 6.172 12.221 ( -6.172 -0.001 0.001) 6.172 12.222 ( -2.432 0.001 -0.001) 2.432 12.222 ( -2.432 0.001 0.001) 2.432 14.760 ( -0.731 0.000 -0.000) 0.731 14.760 ( -0.731 0.000 0.000) 0.731 14.932 ( -3.837 0.000 -0.000) 3.837 14.932 ( -3.837 0.000 0.000) 3.837 15.231 ( 7.130 0.000 -0.000) 7.130 15.231 ( 7.130 0.000 0.000) 7.130 15.534 ( -1.232 0.000 -0.000) 1.232 15.534 ( -1.232 0.000 0.000) 1.232 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 0.901 0.000 -0.000) 0.901 2.274 ( 0.901 0.000 0.000) 0.901 2.285 ( 0.033 0.000 -0.000) 0.033 2.285 ( 0.033 0.000 0.000) 0.033 2.434 ( 0.232 0.000 -0.000) 0.232 2.434 ( 0.232 0.000 0.000) 0.232 2.455 ( -1.593 0.000 -0.000) 1.593 2.455 ( -1.593 0.000 0.000) 1.593 3.196 ( 2.332 0.000 -0.000) 2.332 3.196 ( 2.332 0.000 0.000) 2.332 3.261 ( -4.303 0.000 -0.000) 4.303 3.261 ( -4.303 0.000 0.000) 4.303 3.444 ( 4.308 0.000 -0.000) 4.308 3.444 ( 4.308 0.000 0.000) 4.308 3.500 ( -0.653 0.000 -0.000) 0.653 3.500 ( -0.653 0.000 0.000) 0.653 3.686 ( 2.881 0.000 -0.000) 2.881 3.686 ( 2.881 0.000 0.000) 2.881 3.721 ( -1.362 0.000 -0.000) 1.362 3.721 ( -1.362 0.000 0.000) 1.362 4.115 ( -1.441 0.001 -0.000) 1.441 4.115 ( -1.441 0.001 0.000) 1.441 4.116 ( -1.526 -0.001 -0.000) 1.526 4.116 ( -1.526 -0.001 0.000) 1.526 4.430 ( 6.394 0.000 -0.000) 6.394 4.430 ( 6.394 0.000 0.000) 6.394 4.558 ( -6.477 0.000 -0.000) 6.477 4.558 ( -6.477 0.000 0.000) 6.477 5.498 ( 2.760 0.000 -0.000) 2.760 5.498 ( 2.760 0.000 0.000) 2.760 5.554 ( -3.082 0.000 -0.000) 3.082 5.554 ( -3.082 0.000 0.000) 3.082 5.988 ( 1.286 -0.002 -0.000) 1.286 5.988 ( 1.286 -0.002 0.000) 1.286 5.988 ( 0.917 0.002 -0.000) 0.917 5.988 ( 0.917 0.002 0.000) 0.917 6.201 ( 2.298 0.000 0.000) 2.298 6.201 ( 2.298 0.000 0.000) 2.298 6.236 ( -1.291 0.000 -0.000) 1.291 6.236 ( -1.291 0.000 0.000) 1.291 7.001 ( 0.438 0.000 -0.000) 0.438 7.001 ( 0.438 0.000 0.000) 0.438 7.016 ( -1.322 -0.000 0.000) 1.322 7.016 ( -1.322 -0.000 0.000) 1.322 8.304 ( 5.630 0.000 -0.000) 5.630 8.304 ( 5.630 0.000 0.000) 5.630 8.357 ( 6.673 0.000 -0.000) 6.673 8.357 ( 6.673 0.000 0.000) 6.673 8.548 ( 5.846 0.000 -0.000) 5.846 8.548 ( 5.846 0.000 0.000) 5.846 8.829 ( -13.476 0.000 -0.000) 13.476 8.829 ( -13.476 0.000 0.000) 13.476 9.093 ( -4.688 -0.000 0.000) 4.688 9.093 ( -4.688 -0.000 -0.000) 4.688 9.095 ( -2.031 0.000 -0.000) 2.031 9.095 ( -2.031 0.000 -0.000) 2.031 10.005 ( 6.109 -0.000 0.000) 6.109 10.005 ( 6.109 -0.000 0.000) 6.109 10.070 ( -0.820 0.000 -0.000) 0.820 10.070 ( -0.820 0.000 0.000) 0.820 10.441 ( 1.354 0.000 -0.000) 1.354 10.441 ( 1.354 0.000 0.000) 1.354 10.496 ( -3.744 0.000 -0.000) 3.744 10.496 ( -3.744 0.000 0.000) 3.744 11.078 ( -1.277 -0.001 -0.000) 1.277 11.078 ( -1.277 -0.001 0.000) 1.277 11.083 ( -1.690 0.001 -0.000) 1.690 11.083 ( -1.690 0.001 0.000) 1.690 11.824 ( 9.730 0.000 -0.000) 9.730 11.824 ( 9.730 0.000 0.000) 9.730 11.975 ( -2.627 0.000 -0.000) 2.627 11.975 ( -2.627 0.000 0.000) 2.627 12.107 ( -1.922 0.000 -0.000) 1.922 12.107 ( -1.922 0.000 0.000) 1.922 12.158 ( -4.041 0.000 -0.000) 4.041 12.158 ( -4.041 0.000 0.000) 4.041 14.774 ( 2.406 0.000 -0.000) 2.406 14.774 ( 2.406 0.000 0.000) 2.406 14.845 ( -4.631 0.000 -0.000) 4.631 14.845 ( -4.631 0.000 0.000) 4.631 15.375 ( 7.157 0.000 -0.000) 7.157 15.375 ( 7.157 0.000 0.000) 7.157 15.485 ( -4.122 0.000 -0.000) 4.122 15.485 ( -4.122 0.000 0.000) 4.122 =================== 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 3/23520 10.0 1273.270 938.059 855.973 0.000 0.000 -0.000 3/23520 20.0 233.485 275.559 221.494 0.000 0.000 0.000 3/23520 30.0 87.815 132.997 82.519 0.000 0.000 0.000 3/23520 40.0 46.934 83.659 44.563 0.000 0.000 0.000 3/23520 50.0 30.287 60.186 29.195 0.000 0.000 0.000 3/23520 60.0 21.730 46.313 21.218 0.000 0.000 0.000 3/23520 70.0 16.651 37.105 16.416 0.000 0.000 0.000 3/23520 80.0 13.350 30.601 13.248 0.000 0.000 0.000 3/23520 90.0 11.067 25.828 11.028 0.000 0.000 0.000 3/23520 100.0 9.415 22.223 9.402 0.000 0.000 0.000 3/23520 110.0 8.174 19.435 8.171 0.000 0.000 0.000 3/23520 120.0 7.214 17.232 7.213 0.000 0.000 0.000 3/23520 130.0 6.453 15.459 6.449 0.000 0.000 0.000 3/23520 140.0 5.837 14.008 5.829 0.000 0.000 0.000 3/23520 150.0 5.329 12.802 5.316 0.000 0.000 0.000 3/23520 160.0 4.903 11.787 4.886 0.000 0.000 0.000 3/23520 170.0 4.541 10.921 4.521 0.000 0.000 0.000 3/23520 180.0 4.231 10.176 4.207 0.000 0.000 0.000 3/23520 190.0 3.961 9.527 3.934 0.000 0.000 0.000 3/23520 200.0 3.724 8.958 3.696 0.000 0.000 0.000 3/23520 210.0 3.515 8.455 3.485 0.000 0.000 0.000 3/23520 220.0 3.329 8.006 3.297 0.000 0.000 0.000 3/23520 230.0 3.162 7.605 3.130 0.000 0.000 0.000 3/23520 240.0 3.012 7.242 2.978 0.000 0.000 0.000 3/23520 250.0 2.875 6.914 2.842 0.000 0.000 0.000 3/23520 260.0 2.751 6.615 2.717 0.000 0.000 0.000 3/23520 270.0 2.638 6.342 2.603 0.000 0.000 0.000 3/23520 280.0 2.534 6.091 2.499 0.000 0.000 0.000 3/23520 290.0 2.438 5.860 2.403 0.000 0.000 0.000 3/23520 300.0 2.349 5.646 2.314 0.000 0.000 0.000 3/23520 310.0 2.266 5.448 2.232 0.000 0.000 0.000 3/23520 320.0 2.190 5.264 2.156 0.000 0.000 0.000 3/23520 330.0 2.118 5.092 2.085 0.000 0.000 0.000 3/23520 340.0 2.051 4.931 2.018 0.000 0.000 0.000 3/23520 350.0 1.989 4.780 1.956 0.000 0.000 0.000 3/23520 360.0 1.930 4.639 1.897 0.000 0.000 0.000 3/23520 370.0 1.874 4.506 1.842 0.000 0.000 0.000 3/23520 380.0 1.822 4.380 1.791 0.000 0.000 0.000 3/23520 390.0 1.773 4.262 1.742 0.000 0.000 0.000 3/23520 400.0 1.726 4.150 1.695 0.000 0.000 0.000 3/23520 410.0 1.682 4.043 1.652 0.000 0.000 0.000 3/23520 420.0 1.640 3.943 1.610 0.000 0.000 0.000 3/23520 430.0 1.600 3.847 1.571 0.000 0.000 0.000 3/23520 440.0 1.562 3.756 1.533 0.000 0.000 0.000 3/23520 450.0 1.526 3.669 1.497 0.000 0.000 0.000 3/23520 460.0 1.492 3.586 1.463 0.000 0.000 0.000 3/23520 470.0 1.459 3.507 1.431 0.000 0.000 0.000 3/23520 480.0 1.427 3.431 1.400 0.000 0.000 0.000 3/23520 490.0 1.397 3.359 1.370 0.000 0.000 0.000 3/23520 500.0 1.368 3.289 1.341 0.000 0.000 0.000 3/23520 510.0 1.340 3.223 1.314 0.000 0.000 0.000 3/23520 520.0 1.314 3.159 1.288 0.000 0.000 0.000 3/23520 530.0 1.288 3.098 1.263 0.000 0.000 0.000 3/23520 540.0 1.264 3.039 1.239 0.000 0.000 0.000 3/23520 550.0 1.240 2.982 1.215 0.000 0.000 0.000 3/23520 560.0 1.217 2.927 1.193 0.000 0.000 0.000 3/23520 570.0 1.196 2.875 1.171 0.000 0.000 0.000 3/23520 580.0 1.174 2.824 1.151 0.000 0.000 0.000 3/23520 590.0 1.154 2.775 1.130 0.000 0.000 0.000 3/23520 600.0 1.134 2.728 1.111 0.000 0.000 0.000 3/23520 610.0 1.115 2.682 1.092 0.000 0.000 0.000 3/23520 620.0 1.097 2.638 1.074 0.000 0.000 0.000 3/23520 630.0 1.079 2.595 1.057 0.000 0.000 0.000 3/23520 640.0 1.062 2.554 1.040 0.000 0.000 0.000 3/23520 650.0 1.045 2.514 1.024 0.000 0.000 0.000 3/23520 660.0 1.029 2.475 1.008 0.000 0.000 0.000 3/23520 670.0 1.014 2.438 0.992 0.000 0.000 0.000 3/23520 680.0 0.998 2.401 0.977 0.000 0.000 0.000 3/23520 690.0 0.984 2.366 0.963 0.000 0.000 0.000 3/23520 700.0 0.969 2.332 0.949 0.000 0.000 0.000 3/23520 710.0 0.956 2.298 0.935 0.000 0.000 0.000 3/23520 720.0 0.942 2.266 0.922 0.000 0.000 0.000 3/23520 730.0 0.929 2.234 0.909 0.000 0.000 0.000 3/23520 740.0 0.916 2.204 0.897 0.000 0.000 0.000 3/23520 750.0 0.904 2.174 0.885 0.000 0.000 0.000 3/23520 760.0 0.892 2.145 0.873 0.000 0.000 0.000 3/23520 770.0 0.880 2.117 0.861 0.000 0.000 0.000 3/23520 780.0 0.869 2.089 0.850 0.000 0.000 0.000 3/23520 790.0 0.857 2.063 0.839 0.000 0.000 0.000 3/23520 800.0 0.847 2.037 0.828 0.000 0.000 0.000 3/23520 810.0 0.836 2.011 0.818 0.000 0.000 0.000 3/23520 820.0 0.826 1.986 0.808 0.000 0.000 0.000 3/23520 830.0 0.816 1.962 0.798 0.000 0.000 0.000 3/23520 840.0 0.806 1.939 0.788 0.000 0.000 0.000 3/23520 850.0 0.796 1.916 0.779 0.000 0.000 0.000 3/23520 860.0 0.787 1.893 0.770 0.000 0.000 0.000 3/23520 870.0 0.778 1.871 0.761 0.000 0.000 0.000 3/23520 880.0 0.769 1.850 0.752 0.000 0.000 0.000 3/23520 890.0 0.760 1.829 0.744 0.000 0.000 0.000 3/23520 900.0 0.752 1.808 0.735 0.000 0.000 0.000 3/23520 910.0 0.743 1.788 0.727 0.000 0.000 0.000 3/23520 920.0 0.735 1.769 0.719 0.000 0.000 0.000 3/23520 930.0 0.727 1.749 0.711 0.000 0.000 0.000 3/23520 940.0 0.719 1.731 0.704 0.000 0.000 0.000 3/23520 950.0 0.712 1.712 0.696 0.000 0.000 0.000 3/23520 960.0 0.704 1.694 0.689 0.000 0.000 0.000 3/23520 970.0 0.697 1.677 0.682 0.000 0.000 0.000 3/23520 980.0 0.690 1.660 0.675 0.000 0.000 0.000 3/23520 990.0 0.683 1.643 0.668 0.000 0.000 0.000 3/23520 1000.0 0.676 1.626 0.661 0.000 0.000 0.000 3/23520 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:08:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|