----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:54:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.503197963438276 0.000000000000000 0.000000000000000 b 0.000000000000000 12.801630280000003 0.000000000000000 c -4.807415426987602 0.000000000000000 7.310002720666829 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 2 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 *3 P 0.65315099825404 0.52580304463377 0.14116894671235 30.974 4 P 0.34684900174596 0.47419695536624 0.85883105328764 30.974 5 P 0.65315099825404 0.97419695536623 0.64116894671236 30.974 6 P 0.34684900174596 0.02580304463376 0.35883105328764 30.974 *7 K 0.35023070287141 0.79912797797741 0.06460375887833 39.098 8 K 0.64976929712859 0.29912797797741 0.43539624112167 39.098 9 K 0.64976929712859 0.20087202202259 0.93539624112167 39.098 10 K 0.35023070287141 0.70087202202259 0.56460375887833 39.098 *11 Se 0.53456498971832 0.45189714061609 0.71649283517812 78.960 12 Se 0.46543501028168 0.95189714061609 0.78350716482188 78.960 13 Se 0.46543501028168 0.54810285938391 0.28350716482188 78.960 14 Se 0.53456498971832 0.04810285938391 0.21649283517812 78.960 *15 Se 0.92718221552391 0.39985480950616 0.24548074229303 78.960 16 Se 0.07281778447609 0.89985480950616 0.25451925770697 78.960 17 Se 0.07281778447609 0.60014519049384 0.75451925770697 78.960 18 Se 0.92718221552391 0.10014519049384 0.74548074229303 78.960 *19 Se 0.81425332374918 0.66513885357721 0.09853284385838 78.960 20 Se 0.18574667625082 0.16513885357721 0.40146715614162 78.960 21 Se 0.18574667625082 0.33486114642279 0.90146715614162 78.960 22 Se 0.81425332374918 0.83486114642279 0.59853284385838 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.503197963438276 0.000000000000000 0.000000000000000 b 0.000000000000000 12.801630280000003 0.000000000000000 c -4.807415426987602 0.000000000000000 7.310002720666829 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 1 2 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 2 *3 P 0.65315099825404 0.52580304463377 0.14116894671235 30.974 > 3 4 P 0.34684900174596 0.47419695536624 0.85883105328764 30.974 > 4 5 P 0.65315099825404 0.97419695536623 0.64116894671236 30.974 > 5 6 P 0.34684900174596 0.02580304463376 0.35883105328764 30.974 > 6 *7 K 0.35023070287141 0.79912797797741 0.06460375887833 39.098 > 7 8 K 0.64976929712859 0.29912797797741 0.43539624112167 39.098 > 8 9 K 0.64976929712859 0.20087202202259 0.93539624112167 39.098 > 9 10 K 0.35023070287141 0.70087202202259 0.56460375887833 39.098 > 10 *11 Se 0.53456498971832 0.45189714061609 0.71649283517812 78.960 > 11 12 Se 0.46543501028168 0.95189714061609 0.78350716482188 78.960 > 12 13 Se 0.46543501028168 0.54810285938391 0.28350716482188 78.960 > 13 14 Se 0.53456498971832 0.04810285938391 0.21649283517812 78.960 > 14 *15 Se 0.92718221552391 0.39985480950616 0.24548074229303 78.960 > 15 16 Se 0.07281778447609 0.89985480950616 0.25451925770697 78.960 > 16 17 Se 0.07281778447609 0.60014519049384 0.75451925770697 78.960 > 17 18 Se 0.92718221552391 0.10014519049384 0.74548074229303 78.960 > 18 *19 Se 0.81425332374918 0.66513885357721 0.09853284385838 78.960 > 19 20 Se 0.18574667625082 0.16513885357721 0.40146715614162 78.960 > 20 21 Se 0.18574667625082 0.33486114642279 0.90146715614162 78.960 > 21 22 Se 0.81425332374918 0.83486114642279 0.59853284385838 78.960 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.006395926876552 0.000000000000000 0.000000000000000 b 0.000000000000000 12.801630280000003 0.000000000000000 c -9.614830853975205 0.000000000000000 14.620005441333658 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 1 2 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 1 3 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 1 4 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 1 5 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 2 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 2 7 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 2 8 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 2 *9 P 0.32657549912702 0.52580304463377 0.07058447335618 30.974 > 3 10 P 0.82657549912702 0.52580304463377 0.07058447335618 30.974 > 3 11 P 0.32657549912702 0.52580304463377 0.57058447335618 30.974 > 3 12 P 0.82657549912702 0.52580304463377 0.57058447335618 30.974 > 3 13 P 0.17342450087298 0.47419695536624 0.42941552664382 30.974 > 4 14 P 0.67342450087298 0.47419695536624 0.42941552664382 30.974 > 4 15 P 0.17342450087298 0.47419695536624 0.92941552664382 30.974 > 4 16 P 0.67342450087298 0.47419695536624 0.92941552664382 30.974 > 4 17 P 0.32657549912702 0.97419695536623 0.32058447335618 30.974 > 5 18 P 0.82657549912702 0.97419695536623 0.32058447335618 30.974 > 5 19 P 0.32657549912702 0.97419695536623 0.82058447335618 30.974 > 5 20 P 0.82657549912702 0.97419695536623 0.82058447335618 30.974 > 5 21 P 0.17342450087298 0.02580304463376 0.17941552664382 30.974 > 6 22 P 0.67342450087298 0.02580304463376 0.17941552664382 30.974 > 6 23 P 0.17342450087298 0.02580304463376 0.67941552664382 30.974 > 6 24 P 0.67342450087298 0.02580304463376 0.67941552664382 30.974 > 6 *25 K 0.17511535143571 0.79912797797741 0.03230187943916 39.098 > 7 26 K 0.67511535143571 0.79912797797741 0.03230187943916 39.098 > 7 27 K 0.17511535143571 0.79912797797741 0.53230187943916 39.098 > 7 28 K 0.67511535143571 0.79912797797741 0.53230187943916 39.098 > 7 29 K 0.32488464856429 0.29912797797741 0.21769812056084 39.098 > 8 30 K 0.82488464856429 0.29912797797741 0.21769812056084 39.098 > 8 31 K 0.32488464856429 0.29912797797741 0.71769812056084 39.098 > 8 32 K 0.82488464856429 0.29912797797741 0.71769812056084 39.098 > 8 33 K 0.32488464856429 0.20087202202259 0.46769812056084 39.098 > 9 34 K 0.82488464856429 0.20087202202259 0.46769812056084 39.098 > 9 35 K 0.32488464856429 0.20087202202259 0.96769812056084 39.098 > 9 36 K 0.82488464856429 0.20087202202259 0.96769812056084 39.098 > 9 37 K 0.17511535143571 0.70087202202259 0.28230187943916 39.098 > 10 38 K 0.67511535143571 0.70087202202259 0.28230187943916 39.098 > 10 39 K 0.17511535143571 0.70087202202259 0.78230187943916 39.098 > 10 40 K 0.67511535143571 0.70087202202259 0.78230187943916 39.098 > 10 *41 Se 0.26728249485916 0.45189714061609 0.35824641758906 78.960 > 11 42 Se 0.76728249485916 0.45189714061609 0.35824641758906 78.960 > 11 43 Se 0.26728249485916 0.45189714061609 0.85824641758906 78.960 > 11 44 Se 0.76728249485916 0.45189714061609 0.85824641758906 78.960 > 11 45 Se 0.23271750514084 0.95189714061609 0.39175358241094 78.960 > 12 46 Se 0.73271750514084 0.95189714061609 0.39175358241094 78.960 > 12 47 Se 0.23271750514084 0.95189714061609 0.89175358241094 78.960 > 12 48 Se 0.73271750514084 0.95189714061609 0.89175358241094 78.960 > 12 49 Se 0.23271750514084 0.54810285938391 0.14175358241094 78.960 > 13 50 Se 0.73271750514084 0.54810285938391 0.14175358241094 78.960 > 13 51 Se 0.23271750514084 0.54810285938391 0.64175358241094 78.960 > 13 52 Se 0.73271750514084 0.54810285938391 0.64175358241094 78.960 > 13 53 Se 0.26728249485916 0.04810285938391 0.10824641758906 78.960 > 14 54 Se 0.76728249485916 0.04810285938391 0.10824641758906 78.960 > 14 55 Se 0.26728249485916 0.04810285938391 0.60824641758906 78.960 > 14 56 Se 0.76728249485916 0.04810285938391 0.60824641758906 78.960 > 14 *57 Se 0.46359110776196 0.39985480950616 0.12274037114651 78.960 > 15 58 Se 0.96359110776196 0.39985480950616 0.12274037114651 78.960 > 15 59 Se 0.46359110776196 0.39985480950616 0.62274037114652 78.960 > 15 60 Se 0.96359110776196 0.39985480950616 0.62274037114652 78.960 > 15 61 Se 0.03640889223804 0.89985480950616 0.12725962885348 78.960 > 16 62 Se 0.53640889223804 0.89985480950616 0.12725962885348 78.960 > 16 63 Se 0.03640889223804 0.89985480950616 0.62725962885348 78.960 > 16 64 Se 0.53640889223804 0.89985480950616 0.62725962885348 78.960 > 16 65 Se 0.03640889223804 0.60014519049384 0.37725962885349 78.960 > 17 66 Se 0.53640889223804 0.60014519049384 0.37725962885349 78.960 > 17 67 Se 0.03640889223804 0.60014519049384 0.87725962885349 78.960 > 17 68 Se 0.53640889223804 0.60014519049384 0.87725962885349 78.960 > 17 69 Se 0.46359110776196 0.10014519049384 0.37274037114651 78.960 > 18 70 Se 0.96359110776196 0.10014519049384 0.37274037114651 78.960 > 18 71 Se 0.46359110776196 0.10014519049384 0.87274037114651 78.960 > 18 72 Se 0.96359110776196 0.10014519049384 0.87274037114651 78.960 > 18 *73 Se 0.40712666187459 0.66513885357721 0.04926642192919 78.960 > 19 74 Se 0.90712666187459 0.66513885357721 0.04926642192919 78.960 > 19 75 Se 0.40712666187459 0.66513885357721 0.54926642192919 78.960 > 19 76 Se 0.90712666187459 0.66513885357721 0.54926642192919 78.960 > 19 77 Se 0.09287333812541 0.16513885357721 0.20073357807081 78.960 > 20 78 Se 0.59287333812541 0.16513885357721 0.20073357807081 78.960 > 20 79 Se 0.09287333812541 0.16513885357721 0.70073357807081 78.960 > 20 80 Se 0.59287333812541 0.16513885357721 0.70073357807081 78.960 > 20 81 Se 0.09287333812541 0.33486114642279 0.45073357807081 78.960 > 21 82 Se 0.59287333812541 0.33486114642279 0.45073357807081 78.960 > 21 83 Se 0.09287333812541 0.33486114642279 0.95073357807081 78.960 > 21 84 Se 0.59287333812541 0.33486114642279 0.95073357807081 78.960 > 21 85 Se 0.40712666187459 0.83486114642279 0.29926642192919 78.960 > 22 86 Se 0.90712666187459 0.83486114642279 0.29926642192919 78.960 > 22 87 Se 0.40712666187459 0.83486114642279 0.79926642192919 78.960 > 22 88 Se 0.90712666187459 0.83486114642279 0.79926642192919 78.960 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0854319 0.0000000 0.0839745 0.0000000 5.6687679 0.0000000 0.0839750 0.0000000 4.7751022 -------------------------- Born effective charges -------------------------- 1 Mg 3.1299120 -0.0623363 0.1485674 0.0854503 1.0124101 -0.0201265 -0.2562647 -0.2307163 1.4930072 2 Mg 3.1299120 0.0623363 0.1485674 -0.0854503 1.0124101 0.0201265 -0.2562647 0.2307163 1.4930072 3 P 2.9304299 -0.0323986 -0.3034383 -0.1080207 1.4932535 -0.4457326 -0.1468835 -0.0795954 1.0274199 4 P 2.9304299 -0.0323986 -0.3034383 -0.1080207 1.4932535 -0.4457326 -0.1468835 -0.0795954 1.0274199 5 P 2.9304299 0.0323986 -0.3034383 0.1080207 1.4932535 0.4457326 -0.1468835 0.0795954 1.0274199 6 P 2.9304299 0.0323986 -0.3034383 0.1080207 1.4932535 0.4457326 -0.1468835 0.0795954 1.0274199 7 K 1.2244104 -0.0808000 -0.0604435 -0.1054744 1.5289184 0.0754355 -0.0885252 0.0766522 1.2515818 8 K 1.2244104 0.0808000 -0.0604435 0.1054744 1.5289184 -0.0754355 -0.0885252 -0.0766522 1.2515818 9 K 1.2244104 -0.0808000 -0.0604435 -0.1054744 1.5289184 0.0754355 -0.0885252 0.0766522 1.2515818 10 K 1.2244104 0.0808000 -0.0604435 0.1054744 1.5289184 -0.0754355 -0.0885252 -0.0766522 1.2515818 11 Se -2.0038802 0.2110747 0.3515793 0.2743924 -0.7668998 -0.1624256 0.5205926 -0.3068737 -1.1613626 12 Se -2.0038802 -0.2110747 0.3515793 -0.2743924 -0.7668998 0.1624256 0.5205926 0.3068737 -1.1613626 13 Se -2.0038802 0.2110747 0.3515793 0.2743924 -0.7668998 -0.1624256 0.5205926 -0.3068737 -1.1613626 14 Se -2.0038802 -0.2110747 0.3515793 -0.2743924 -0.7668998 0.1624256 0.5205926 0.3068737 -1.1613626 15 Se -1.8227022 0.2765081 -0.1266276 0.2891454 -0.9732047 0.3367611 -0.1819525 0.3414800 -1.0583752 16 Se -1.8227022 -0.2765081 -0.1266276 -0.2891454 -0.9732047 -0.3367611 -0.1819525 -0.3414800 -1.0583752 17 Se -1.8227022 0.2765081 -0.1266276 0.2891454 -0.9732047 0.3367611 -0.1819525 0.3414800 -1.0583752 18 Se -1.8227022 -0.2765081 -0.1266276 -0.2891454 -0.9732047 -0.3367611 -0.1819525 -0.3414800 -1.0583752 19 Se -1.8932139 -0.4627977 0.0646464 -0.3808047 -1.7882724 0.2904307 0.0249010 -0.0827308 -0.8057676 20 Se -1.8932139 0.4627977 0.0646464 0.3808047 -1.7882724 -0.2904307 0.0249010 0.0827308 -0.8057676 21 Se -1.8932139 -0.4627977 0.0646464 -0.3808047 -1.7882724 0.2904307 0.0249010 -0.0827308 -0.8057676 22 Se -1.8932139 0.4627977 0.0646464 0.3808047 -1.7882724 -0.2904307 0.0249010 0.0827308 -0.8057676 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 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: 486 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (2286, 2233), data: False |-- (276, 270), data: True |-- (276, 270), data: True |-- (276, 270), data: True |-- (486, 475), data: True |-- (486, 474), data: True |-- (486, 474), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 1.288 Solver_block: 200 / 720 - Time: 1.363 Solver_block: 300 / 720 - Time: 0.687 Solver_block: 400 / 720 - Time: 1.072 Solver_block: 500 / 720 - Time: 0.604 Solver_block: 600 / 720 - Time: 0.995 Solver_block: 700 / 720 - Time: 1.102 Solver_block: 720 / 720 - Time: 0.450 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.050 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 264/264 Permutation basis: 8976/8976 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2286 Number of blocks in projector: 2286 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: 486 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 486 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 276 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 276 Use standard eigh solver. Tree of FC basis block matrices: - (2286, 2233), data: False |-- (276, 270), data: True |-- (276, 270), data: True |-- (276, 270), data: True |-- (486, 475), data: True |-- (486, 474), data: True |-- (486, 474), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:54:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:54:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.503197963438276 0.000000000000000 0.000000000000000 b 0.000000000000000 12.801630280000003 0.000000000000000 c -4.807415426987602 0.000000000000000 7.310002720666829 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 2 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 3 P 0.65315099825404 0.52580304463377 0.14116894671235 30.974 4 P 0.34684900174596 0.47419695536624 0.85883105328764 30.974 5 P 0.65315099825404 0.97419695536623 0.64116894671236 30.974 6 P 0.34684900174596 0.02580304463376 0.35883105328764 30.974 7 K 0.35023070287141 0.79912797797741 0.06460375887833 39.098 8 K 0.64976929712859 0.29912797797741 0.43539624112167 39.098 9 K 0.64976929712859 0.20087202202259 0.93539624112167 39.098 10 K 0.35023070287141 0.70087202202259 0.56460375887833 39.098 11 Se 0.53456498971832 0.45189714061609 0.71649283517812 78.960 12 Se 0.46543501028168 0.95189714061609 0.78350716482188 78.960 13 Se 0.46543501028168 0.54810285938391 0.28350716482188 78.960 14 Se 0.53456498971832 0.04810285938391 0.21649283517812 78.960 15 Se 0.92718221552391 0.39985480950616 0.24548074229303 78.960 16 Se 0.07281778447609 0.89985480950616 0.25451925770697 78.960 17 Se 0.07281778447609 0.60014519049384 0.75451925770697 78.960 18 Se 0.92718221552391 0.10014519049384 0.74548074229303 78.960 19 Se 0.81425332374918 0.66513885357721 0.09853284385838 78.960 20 Se 0.18574667625082 0.16513885357721 0.40146715614162 78.960 21 Se 0.18574667625082 0.33486114642279 0.90146715614162 78.960 22 Se 0.81425332374918 0.83486114642279 0.59853284385838 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.006395926876552 0.000000000000000 0.000000000000000 b 0.000000000000000 12.801630280000003 0.000000000000000 c -9.614830853975205 0.000000000000000 14.620005441333658 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 1 2 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 1 3 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 1 4 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 1 5 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 5 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 5 7 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 5 8 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 5 9 P 0.32657549912702 0.52580304463377 0.07058447335618 30.974 > 9 10 P 0.82657549912702 0.52580304463377 0.07058447335618 30.974 > 9 11 P 0.32657549912702 0.52580304463377 0.57058447335618 30.974 > 9 12 P 0.82657549912702 0.52580304463377 0.57058447335618 30.974 > 9 13 P 0.17342450087298 0.47419695536624 0.42941552664382 30.974 > 13 14 P 0.67342450087298 0.47419695536624 0.42941552664382 30.974 > 13 15 P 0.17342450087298 0.47419695536624 0.92941552664382 30.974 > 13 16 P 0.67342450087298 0.47419695536624 0.92941552664382 30.974 > 13 17 P 0.32657549912702 0.97419695536623 0.32058447335618 30.974 > 17 18 P 0.82657549912702 0.97419695536623 0.32058447335618 30.974 > 17 19 P 0.32657549912702 0.97419695536623 0.82058447335618 30.974 > 17 20 P 0.82657549912702 0.97419695536623 0.82058447335618 30.974 > 17 21 P 0.17342450087298 0.02580304463376 0.17941552664382 30.974 > 21 22 P 0.67342450087298 0.02580304463376 0.17941552664382 30.974 > 21 23 P 0.17342450087298 0.02580304463376 0.67941552664382 30.974 > 21 24 P 0.67342450087298 0.02580304463376 0.67941552664382 30.974 > 21 25 K 0.17511535143571 0.79912797797741 0.03230187943916 39.098 > 25 26 K 0.67511535143571 0.79912797797741 0.03230187943916 39.098 > 25 27 K 0.17511535143571 0.79912797797741 0.53230187943916 39.098 > 25 28 K 0.67511535143571 0.79912797797741 0.53230187943916 39.098 > 25 29 K 0.32488464856429 0.29912797797741 0.21769812056084 39.098 > 29 30 K 0.82488464856429 0.29912797797741 0.21769812056084 39.098 > 29 31 K 0.32488464856429 0.29912797797741 0.71769812056084 39.098 > 29 32 K 0.82488464856429 0.29912797797741 0.71769812056084 39.098 > 29 33 K 0.32488464856429 0.20087202202259 0.46769812056084 39.098 > 33 34 K 0.82488464856429 0.20087202202259 0.46769812056084 39.098 > 33 35 K 0.32488464856429 0.20087202202259 0.96769812056084 39.098 > 33 36 K 0.82488464856429 0.20087202202259 0.96769812056084 39.098 > 33 37 K 0.17511535143571 0.70087202202259 0.28230187943916 39.098 > 37 38 K 0.67511535143571 0.70087202202259 0.28230187943916 39.098 > 37 39 K 0.17511535143571 0.70087202202259 0.78230187943916 39.098 > 37 40 K 0.67511535143571 0.70087202202259 0.78230187943916 39.098 > 37 41 Se 0.26728249485916 0.45189714061609 0.35824641758906 78.960 > 41 42 Se 0.76728249485916 0.45189714061609 0.35824641758906 78.960 > 41 43 Se 0.26728249485916 0.45189714061609 0.85824641758906 78.960 > 41 44 Se 0.76728249485916 0.45189714061609 0.85824641758906 78.960 > 41 45 Se 0.23271750514084 0.95189714061609 0.39175358241094 78.960 > 45 46 Se 0.73271750514084 0.95189714061609 0.39175358241094 78.960 > 45 47 Se 0.23271750514084 0.95189714061609 0.89175358241094 78.960 > 45 48 Se 0.73271750514084 0.95189714061609 0.89175358241094 78.960 > 45 49 Se 0.23271750514084 0.54810285938391 0.14175358241094 78.960 > 49 50 Se 0.73271750514084 0.54810285938391 0.14175358241094 78.960 > 49 51 Se 0.23271750514084 0.54810285938391 0.64175358241094 78.960 > 49 52 Se 0.73271750514084 0.54810285938391 0.64175358241094 78.960 > 49 53 Se 0.26728249485916 0.04810285938391 0.10824641758906 78.960 > 53 54 Se 0.76728249485916 0.04810285938391 0.10824641758906 78.960 > 53 55 Se 0.26728249485916 0.04810285938391 0.60824641758906 78.960 > 53 56 Se 0.76728249485916 0.04810285938391 0.60824641758906 78.960 > 53 57 Se 0.46359110776196 0.39985480950616 0.12274037114651 78.960 > 57 58 Se 0.96359110776196 0.39985480950616 0.12274037114651 78.960 > 57 59 Se 0.46359110776196 0.39985480950616 0.62274037114652 78.960 > 57 60 Se 0.96359110776196 0.39985480950616 0.62274037114652 78.960 > 57 61 Se 0.03640889223804 0.89985480950616 0.12725962885348 78.960 > 61 62 Se 0.53640889223804 0.89985480950616 0.12725962885348 78.960 > 61 63 Se 0.03640889223804 0.89985480950616 0.62725962885348 78.960 > 61 64 Se 0.53640889223804 0.89985480950616 0.62725962885348 78.960 > 61 65 Se 0.03640889223804 0.60014519049384 0.37725962885349 78.960 > 65 66 Se 0.53640889223804 0.60014519049384 0.37725962885349 78.960 > 65 67 Se 0.03640889223804 0.60014519049384 0.87725962885349 78.960 > 65 68 Se 0.53640889223804 0.60014519049384 0.87725962885349 78.960 > 65 69 Se 0.46359110776196 0.10014519049384 0.37274037114651 78.960 > 69 70 Se 0.96359110776196 0.10014519049384 0.37274037114651 78.960 > 69 71 Se 0.46359110776196 0.10014519049384 0.87274037114651 78.960 > 69 72 Se 0.96359110776196 0.10014519049384 0.87274037114651 78.960 > 69 73 Se 0.40712666187459 0.66513885357721 0.04926642192919 78.960 > 73 74 Se 0.90712666187459 0.66513885357721 0.04926642192919 78.960 > 73 75 Se 0.40712666187459 0.66513885357721 0.54926642192919 78.960 > 73 76 Se 0.90712666187459 0.66513885357721 0.54926642192919 78.960 > 73 77 Se 0.09287333812541 0.16513885357721 0.20073357807081 78.960 > 77 78 Se 0.59287333812541 0.16513885357721 0.20073357807081 78.960 > 77 79 Se 0.09287333812541 0.16513885357721 0.70073357807081 78.960 > 77 80 Se 0.59287333812541 0.16513885357721 0.70073357807081 78.960 > 77 81 Se 0.09287333812541 0.33486114642279 0.45073357807081 78.960 > 81 82 Se 0.59287333812541 0.33486114642279 0.45073357807081 78.960 > 81 83 Se 0.09287333812541 0.33486114642279 0.95073357807081 78.960 > 81 84 Se 0.59287333812541 0.33486114642279 0.95073357807081 78.960 > 81 85 Se 0.40712666187459 0.83486114642279 0.29926642192919 78.960 > 85 86 Se 0.90712666187459 0.83486114642279 0.29926642192919 78.960 > 85 87 Se 0.40712666187459 0.83486114642279 0.79926642192919 78.960 > 85 88 Se 0.90712666187459 0.83486114642279 0.79926642192919 78.960 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0854319 0.0000000 0.0839745 0.0000000 5.6687679 0.0000000 0.0839750 0.0000000 4.7751022 -------------------------- Born effective charges -------------------------- 1 Mg 3.1299120 -0.0623363 0.1485674 0.0854503 1.0124101 -0.0201265 -0.2562647 -0.2307163 1.4930072 2 Mg 3.1299120 0.0623363 0.1485674 -0.0854503 1.0124101 0.0201265 -0.2562647 0.2307163 1.4930072 3 P 2.9304299 -0.0323986 -0.3034383 -0.1080207 1.4932535 -0.4457326 -0.1468835 -0.0795954 1.0274199 4 P 2.9304299 -0.0323986 -0.3034383 -0.1080207 1.4932535 -0.4457326 -0.1468835 -0.0795954 1.0274199 5 P 2.9304299 0.0323986 -0.3034383 0.1080207 1.4932535 0.4457326 -0.1468835 0.0795954 1.0274199 6 P 2.9304299 0.0323986 -0.3034383 0.1080207 1.4932535 0.4457326 -0.1468835 0.0795954 1.0274199 7 K 1.2244104 -0.0808000 -0.0604435 -0.1054744 1.5289184 0.0754355 -0.0885252 0.0766522 1.2515818 8 K 1.2244104 0.0808000 -0.0604435 0.1054744 1.5289184 -0.0754355 -0.0885252 -0.0766522 1.2515818 9 K 1.2244104 -0.0808000 -0.0604435 -0.1054744 1.5289184 0.0754355 -0.0885252 0.0766522 1.2515818 10 K 1.2244104 0.0808000 -0.0604435 0.1054744 1.5289184 -0.0754355 -0.0885252 -0.0766522 1.2515818 11 Se -2.0038802 0.2110747 0.3515793 0.2743924 -0.7668998 -0.1624256 0.5205926 -0.3068737 -1.1613626 12 Se -2.0038802 -0.2110747 0.3515793 -0.2743924 -0.7668998 0.1624256 0.5205926 0.3068737 -1.1613626 13 Se -2.0038802 0.2110747 0.3515793 0.2743924 -0.7668998 -0.1624256 0.5205926 -0.3068737 -1.1613626 14 Se -2.0038802 -0.2110747 0.3515793 -0.2743924 -0.7668998 0.1624256 0.5205926 0.3068737 -1.1613626 15 Se -1.8227022 0.2765081 -0.1266276 0.2891454 -0.9732047 0.3367611 -0.1819525 0.3414800 -1.0583752 16 Se -1.8227022 -0.2765081 -0.1266276 -0.2891454 -0.9732047 -0.3367611 -0.1819525 -0.3414800 -1.0583752 17 Se -1.8227022 0.2765081 -0.1266276 0.2891454 -0.9732047 0.3367611 -0.1819525 0.3414800 -1.0583752 18 Se -1.8227022 -0.2765081 -0.1266276 -0.2891454 -0.9732047 -0.3367611 -0.1819525 -0.3414800 -1.0583752 19 Se -1.8932139 -0.4627977 0.0646464 -0.3808047 -1.7882724 0.2904307 0.0249010 -0.0827308 -0.8057676 20 Se -1.8932139 0.4627977 0.0646464 0.3808047 -1.7882724 -0.2904307 0.0249010 0.0827308 -0.8057676 21 Se -1.8932139 -0.4627977 0.0646464 -0.3808047 -1.7882724 0.2904307 0.0249010 -0.0827308 -0.8057676 22 Se -1.8932139 0.4627977 0.0646464 0.3808047 -1.7882724 -0.2904307 0.0249010 0.0827308 -0.8057676 ---------------------------------------------------------------------------- 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 9, 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 41, 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] 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] [-0.0055 0.0000 0.0084] [ 0.0055 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000010 (xz) -0.00000010 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:55:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:55:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.503197963438276 0.000000000000000 0.000000000000000 b 0.000000000000000 12.801630280000003 0.000000000000000 c -4.807415426987602 0.000000000000000 7.310002720666829 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 2 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 3 P 0.65315099825404 0.52580304463377 0.14116894671235 30.974 4 P 0.34684900174596 0.47419695536624 0.85883105328764 30.974 5 P 0.65315099825404 0.97419695536623 0.64116894671236 30.974 6 P 0.34684900174596 0.02580304463376 0.35883105328764 30.974 7 K 0.35023070287141 0.79912797797741 0.06460375887833 39.098 8 K 0.64976929712859 0.29912797797741 0.43539624112167 39.098 9 K 0.64976929712859 0.20087202202259 0.93539624112167 39.098 10 K 0.35023070287141 0.70087202202259 0.56460375887833 39.098 11 Se 0.53456498971832 0.45189714061609 0.71649283517812 78.960 12 Se 0.46543501028168 0.95189714061609 0.78350716482188 78.960 13 Se 0.46543501028168 0.54810285938391 0.28350716482188 78.960 14 Se 0.53456498971832 0.04810285938391 0.21649283517812 78.960 15 Se 0.92718221552391 0.39985480950616 0.24548074229303 78.960 16 Se 0.07281778447609 0.89985480950616 0.25451925770697 78.960 17 Se 0.07281778447609 0.60014519049384 0.75451925770697 78.960 18 Se 0.92718221552391 0.10014519049384 0.74548074229303 78.960 19 Se 0.81425332374918 0.66513885357721 0.09853284385838 78.960 20 Se 0.18574667625082 0.16513885357721 0.40146715614162 78.960 21 Se 0.18574667625082 0.33486114642279 0.90146715614162 78.960 22 Se 0.81425332374918 0.83486114642279 0.59853284385838 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.006395926876552 0.000000000000000 0.000000000000000 b 0.000000000000000 12.801630280000003 0.000000000000000 c -9.614830853975205 0.000000000000000 14.620005441333658 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.25000000000000 24.305 > 1 2 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 1 3 Mg 0.00000000000000 0.00000000000000 0.75000000000000 24.305 > 1 4 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 1 5 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 5 6 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 5 7 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 5 8 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 5 9 P 0.32657549912702 0.52580304463377 0.07058447335618 30.974 > 9 10 P 0.82657549912702 0.52580304463377 0.07058447335618 30.974 > 9 11 P 0.32657549912702 0.52580304463377 0.57058447335618 30.974 > 9 12 P 0.82657549912702 0.52580304463377 0.57058447335618 30.974 > 9 13 P 0.17342450087298 0.47419695536624 0.42941552664382 30.974 > 13 14 P 0.67342450087298 0.47419695536624 0.42941552664382 30.974 > 13 15 P 0.17342450087298 0.47419695536624 0.92941552664382 30.974 > 13 16 P 0.67342450087298 0.47419695536624 0.92941552664382 30.974 > 13 17 P 0.32657549912702 0.97419695536623 0.32058447335618 30.974 > 17 18 P 0.82657549912702 0.97419695536623 0.32058447335618 30.974 > 17 19 P 0.32657549912702 0.97419695536623 0.82058447335618 30.974 > 17 20 P 0.82657549912702 0.97419695536623 0.82058447335618 30.974 > 17 21 P 0.17342450087298 0.02580304463376 0.17941552664382 30.974 > 21 22 P 0.67342450087298 0.02580304463376 0.17941552664382 30.974 > 21 23 P 0.17342450087298 0.02580304463376 0.67941552664382 30.974 > 21 24 P 0.67342450087298 0.02580304463376 0.67941552664382 30.974 > 21 25 K 0.17511535143571 0.79912797797741 0.03230187943916 39.098 > 25 26 K 0.67511535143571 0.79912797797741 0.03230187943916 39.098 > 25 27 K 0.17511535143571 0.79912797797741 0.53230187943916 39.098 > 25 28 K 0.67511535143571 0.79912797797741 0.53230187943916 39.098 > 25 29 K 0.32488464856429 0.29912797797741 0.21769812056084 39.098 > 29 30 K 0.82488464856429 0.29912797797741 0.21769812056084 39.098 > 29 31 K 0.32488464856429 0.29912797797741 0.71769812056084 39.098 > 29 32 K 0.82488464856429 0.29912797797741 0.71769812056084 39.098 > 29 33 K 0.32488464856429 0.20087202202259 0.46769812056084 39.098 > 33 34 K 0.82488464856429 0.20087202202259 0.46769812056084 39.098 > 33 35 K 0.32488464856429 0.20087202202259 0.96769812056084 39.098 > 33 36 K 0.82488464856429 0.20087202202259 0.96769812056084 39.098 > 33 37 K 0.17511535143571 0.70087202202259 0.28230187943916 39.098 > 37 38 K 0.67511535143571 0.70087202202259 0.28230187943916 39.098 > 37 39 K 0.17511535143571 0.70087202202259 0.78230187943916 39.098 > 37 40 K 0.67511535143571 0.70087202202259 0.78230187943916 39.098 > 37 41 Se 0.26728249485916 0.45189714061609 0.35824641758906 78.960 > 41 42 Se 0.76728249485916 0.45189714061609 0.35824641758906 78.960 > 41 43 Se 0.26728249485916 0.45189714061609 0.85824641758906 78.960 > 41 44 Se 0.76728249485916 0.45189714061609 0.85824641758906 78.960 > 41 45 Se 0.23271750514084 0.95189714061609 0.39175358241094 78.960 > 45 46 Se 0.73271750514084 0.95189714061609 0.39175358241094 78.960 > 45 47 Se 0.23271750514084 0.95189714061609 0.89175358241094 78.960 > 45 48 Se 0.73271750514084 0.95189714061609 0.89175358241094 78.960 > 45 49 Se 0.23271750514084 0.54810285938391 0.14175358241094 78.960 > 49 50 Se 0.73271750514084 0.54810285938391 0.14175358241094 78.960 > 49 51 Se 0.23271750514084 0.54810285938391 0.64175358241094 78.960 > 49 52 Se 0.73271750514084 0.54810285938391 0.64175358241094 78.960 > 49 53 Se 0.26728249485916 0.04810285938391 0.10824641758906 78.960 > 53 54 Se 0.76728249485916 0.04810285938391 0.10824641758906 78.960 > 53 55 Se 0.26728249485916 0.04810285938391 0.60824641758906 78.960 > 53 56 Se 0.76728249485916 0.04810285938391 0.60824641758906 78.960 > 53 57 Se 0.46359110776196 0.39985480950616 0.12274037114651 78.960 > 57 58 Se 0.96359110776196 0.39985480950616 0.12274037114651 78.960 > 57 59 Se 0.46359110776196 0.39985480950616 0.62274037114652 78.960 > 57 60 Se 0.96359110776196 0.39985480950616 0.62274037114652 78.960 > 57 61 Se 0.03640889223804 0.89985480950616 0.12725962885348 78.960 > 61 62 Se 0.53640889223804 0.89985480950616 0.12725962885348 78.960 > 61 63 Se 0.03640889223804 0.89985480950616 0.62725962885348 78.960 > 61 64 Se 0.53640889223804 0.89985480950616 0.62725962885348 78.960 > 61 65 Se 0.03640889223804 0.60014519049384 0.37725962885349 78.960 > 65 66 Se 0.53640889223804 0.60014519049384 0.37725962885349 78.960 > 65 67 Se 0.03640889223804 0.60014519049384 0.87725962885349 78.960 > 65 68 Se 0.53640889223804 0.60014519049384 0.87725962885349 78.960 > 65 69 Se 0.46359110776196 0.10014519049384 0.37274037114651 78.960 > 69 70 Se 0.96359110776196 0.10014519049384 0.37274037114651 78.960 > 69 71 Se 0.46359110776196 0.10014519049384 0.87274037114651 78.960 > 69 72 Se 0.96359110776196 0.10014519049384 0.87274037114651 78.960 > 69 73 Se 0.40712666187459 0.66513885357721 0.04926642192919 78.960 > 73 74 Se 0.90712666187459 0.66513885357721 0.04926642192919 78.960 > 73 75 Se 0.40712666187459 0.66513885357721 0.54926642192919 78.960 > 73 76 Se 0.90712666187459 0.66513885357721 0.54926642192919 78.960 > 73 77 Se 0.09287333812541 0.16513885357721 0.20073357807081 78.960 > 77 78 Se 0.59287333812541 0.16513885357721 0.20073357807081 78.960 > 77 79 Se 0.09287333812541 0.16513885357721 0.70073357807081 78.960 > 77 80 Se 0.59287333812541 0.16513885357721 0.70073357807081 78.960 > 77 81 Se 0.09287333812541 0.33486114642279 0.45073357807081 78.960 > 81 82 Se 0.59287333812541 0.33486114642279 0.45073357807081 78.960 > 81 83 Se 0.09287333812541 0.33486114642279 0.95073357807081 78.960 > 81 84 Se 0.59287333812541 0.33486114642279 0.95073357807081 78.960 > 81 85 Se 0.40712666187459 0.83486114642279 0.29926642192919 78.960 > 85 86 Se 0.90712666187459 0.83486114642279 0.29926642192919 78.960 > 85 87 Se 0.40712666187459 0.83486114642279 0.79926642192919 78.960 > 85 88 Se 0.90712666187459 0.83486114642279 0.79926642192919 78.960 > 85 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0854319 0.0000000 0.0839745 0.0000000 5.6687679 0.0000000 0.0839750 0.0000000 4.7751022 -------------------------- Born effective charges -------------------------- 1 Mg 3.1299120 -0.0623363 0.1485674 0.0854503 1.0124101 -0.0201265 -0.2562647 -0.2307163 1.4930072 2 Mg 3.1299120 0.0623363 0.1485674 -0.0854503 1.0124101 0.0201265 -0.2562647 0.2307163 1.4930072 3 P 2.9304299 -0.0323986 -0.3034383 -0.1080207 1.4932535 -0.4457326 -0.1468835 -0.0795954 1.0274199 4 P 2.9304299 -0.0323986 -0.3034383 -0.1080207 1.4932535 -0.4457326 -0.1468835 -0.0795954 1.0274199 5 P 2.9304299 0.0323986 -0.3034383 0.1080207 1.4932535 0.4457326 -0.1468835 0.0795954 1.0274199 6 P 2.9304299 0.0323986 -0.3034383 0.1080207 1.4932535 0.4457326 -0.1468835 0.0795954 1.0274199 7 K 1.2244104 -0.0808000 -0.0604435 -0.1054744 1.5289184 0.0754355 -0.0885252 0.0766522 1.2515818 8 K 1.2244104 0.0808000 -0.0604435 0.1054744 1.5289184 -0.0754355 -0.0885252 -0.0766522 1.2515818 9 K 1.2244104 -0.0808000 -0.0604435 -0.1054744 1.5289184 0.0754355 -0.0885252 0.0766522 1.2515818 10 K 1.2244104 0.0808000 -0.0604435 0.1054744 1.5289184 -0.0754355 -0.0885252 -0.0766522 1.2515818 11 Se -2.0038802 0.2110747 0.3515793 0.2743924 -0.7668998 -0.1624256 0.5205926 -0.3068737 -1.1613626 12 Se -2.0038802 -0.2110747 0.3515793 -0.2743924 -0.7668998 0.1624256 0.5205926 0.3068737 -1.1613626 13 Se -2.0038802 0.2110747 0.3515793 0.2743924 -0.7668998 -0.1624256 0.5205926 -0.3068737 -1.1613626 14 Se -2.0038802 -0.2110747 0.3515793 -0.2743924 -0.7668998 0.1624256 0.5205926 0.3068737 -1.1613626 15 Se -1.8227022 0.2765081 -0.1266276 0.2891454 -0.9732047 0.3367611 -0.1819525 0.3414800 -1.0583752 16 Se -1.8227022 -0.2765081 -0.1266276 -0.2891454 -0.9732047 -0.3367611 -0.1819525 -0.3414800 -1.0583752 17 Se -1.8227022 0.2765081 -0.1266276 0.2891454 -0.9732047 0.3367611 -0.1819525 0.3414800 -1.0583752 18 Se -1.8227022 -0.2765081 -0.1266276 -0.2891454 -0.9732047 -0.3367611 -0.1819525 -0.3414800 -1.0583752 19 Se -1.8932139 -0.4627977 0.0646464 -0.3808047 -1.7882724 0.2904307 0.0249010 -0.0827308 -0.8057676 20 Se -1.8932139 0.4627977 0.0646464 0.3808047 -1.7882724 -0.2904307 0.0249010 0.0827308 -0.8057676 21 Se -1.8932139 -0.4627977 0.0646464 -0.3808047 -1.7882724 0.2904307 0.0249010 -0.0827308 -0.8057676 22 Se -1.8932139 0.4627977 0.0646464 0.3808047 -1.7882724 -0.2904307 0.0249010 0.0827308 -0.8057676 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 309, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.646 ( 0.000 0.000 0.000) 0.000 0.720 ( 0.000 0.000 0.000) 0.000 0.763 ( 0.000 0.000 0.000) 0.000 0.979 ( 0.000 0.000 0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.486 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.688 ( 0.000 0.000 0.000) 0.000 1.720 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.652 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.835 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.603 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.325 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.041 ( 0.000 0.000 0.000) 0.000 5.211 ( 0.000 0.000 0.000) 0.000 5.328 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.500 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.767 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.064 ( 0.000 0.000 0.000) 0.000 8.921 ( 0.000 0.000 0.000) 0.000 9.010 ( 0.000 0.000 0.000) 0.000 13.055 ( 0.000 0.000 0.000) 0.000 13.081 ( 0.000 0.000 0.000) 0.000 13.328 ( 0.000 0.000 0.000) 0.000 13.459 ( 0.000 0.000 0.000) 0.000 13.556 ( 0.000 0.000 0.000) 0.000 13.560 ( 0.000 0.000 0.000) 0.000 13.771 ( 0.000 0.000 0.000) 0.000 13.994 ( 0.000 0.000 0.000) 0.000 13.996 ( 0.000 0.000 0.000) 0.000 14.019 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 14.469 0.000 0.942) 14.499 0.344 ( 15.603 0.000 5.492) 16.541 0.618 ( -1.342 0.000 1.846) 2.282 0.694 ( 36.549 0.000 3.329) 36.700 0.792 ( 4.746 0.000 4.526) 6.558 0.841 ( 6.991 0.000 3.265) 7.716 1.156 ( 18.232 0.000 -0.856) 18.252 1.343 ( -7.402 0.000 1.700) 7.595 1.506 ( 2.184 0.000 -0.572) 2.258 1.574 ( -2.506 0.000 -2.118) 3.281 1.642 ( -1.230 0.000 -0.974) 1.569 1.675 ( -2.043 0.000 0.424) 2.087 1.695 ( 1.584 0.000 0.303) 1.613 1.830 ( 1.495 0.000 -0.293) 1.523 1.837 ( -7.593 0.000 11.615) 13.877 2.047 ( -6.521 0.000 -0.942) 6.589 2.063 ( -2.175 0.000 -1.822) 2.837 2.252 ( -3.624 0.000 0.228) 3.631 2.338 ( 2.201 0.000 5.909) 6.305 2.429 ( 4.280 0.000 3.162) 5.321 2.625 ( -3.851 0.000 1.555) 4.153 2.645 ( -0.370 0.000 -0.130) 0.392 2.726 ( 3.261 0.000 -1.823) 3.736 2.850 ( 2.466 0.000 -1.718) 3.006 2.852 ( 0.825 0.000 -0.203) 0.850 2.908 ( 1.111 0.000 -0.611) 1.268 3.001 ( 1.351 0.000 -1.092) 1.737 3.002 ( -0.661 0.000 -0.677) 0.946 3.094 ( -0.393 0.000 1.897) 1.938 3.345 ( -3.231 0.000 -0.583) 3.283 3.402 ( 0.080 0.000 3.311) 3.311 3.492 ( 1.168 0.000 -2.219) 2.508 3.595 ( 0.172 0.000 -1.133) 1.146 3.745 ( -4.323 0.000 -1.379) 4.537 3.835 ( 0.767 0.000 1.638) 1.809 3.868 ( 2.196 0.000 -0.754) 2.321 3.992 ( -4.174 0.000 -0.212) 4.179 4.203 ( -2.845 0.000 -0.246) 2.856 4.297 ( -1.883 0.000 -0.105) 1.886 4.326 ( -0.920 0.000 -1.134) 1.460 4.374 ( 4.155 0.000 0.468) 4.182 4.384 ( 2.708 0.000 -0.189) 2.715 4.779 ( 0.974 0.000 0.826) 1.277 4.889 ( -1.071 0.000 -1.146) 1.569 4.936 ( -1.509 0.000 1.507) 2.133 5.033 ( -0.758 0.000 -0.493) 0.905 5.221 ( 1.208 0.000 -0.175) 1.220 5.339 ( 0.499 0.000 -0.007) 0.499 6.449 ( -0.133 0.000 0.459) 0.478 6.487 ( -1.224 0.000 -0.313) 1.263 6.715 ( -1.894 0.000 1.382) 2.345 6.762 ( -0.987 0.000 0.317) 1.037 7.163 ( 10.599 0.000 -0.108) 10.599 7.701 ( 21.412 0.000 -33.549) 39.800 8.875 ( -6.378 0.000 1.823) 6.634 9.133 ( -14.733 0.000 10.194) 17.916 13.079 ( 2.309 0.000 0.500) 2.363 13.103 ( 2.473 0.000 -0.066) 2.474 13.351 ( 2.927 0.000 -0.410) 2.955 13.491 ( 4.252 0.000 -1.353) 4.462 13.560 ( 0.516 0.000 -0.321) 0.608 13.562 ( 0.000 0.000 0.195) 0.195 13.807 ( 3.467 0.000 0.841) 3.568 13.983 ( -1.252 0.000 1.343) 1.837 14.087 ( 7.287 0.000 -0.915) 7.345 14.265 ( 11.298 0.000 -19.501) 22.538 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( -1.251 0.000 -5.253) 5.400 0.641 ( 14.559 0.000 0.837) 14.583 0.751 ( 7.260 0.000 6.868) 9.994 0.948 ( 7.079 0.000 3.493) 7.894 0.997 ( 7.756 0.000 3.993) 8.724 1.224 ( -2.855 0.000 0.945) 3.007 1.349 ( 25.024 0.000 4.487) 25.424 1.403 ( 3.790 0.000 -2.162) 4.364 1.515 ( 1.396 0.000 -0.787) 1.602 1.585 ( 10.821 0.000 -1.633) 10.944 1.620 ( -2.483 0.000 -2.316) 3.396 1.658 ( 1.898 0.000 3.306) 3.812 1.726 ( 4.062 0.000 -0.711) 4.124 1.793 ( -7.093 0.000 3.894) 8.091 1.872 ( 4.420 0.000 -1.010) 4.534 1.970 ( -3.108 0.000 1.855) 3.620 2.020 ( -2.178 0.000 1.550) 2.673 2.208 ( -1.099 0.000 1.620) 1.958 2.429 ( -0.339 0.000 5.967) 5.977 2.520 ( 2.109 0.000 3.179) 3.814 2.584 ( -2.896 0.000 1.578) 3.298 2.642 ( 0.256 0.000 -0.190) 0.319 2.750 ( 2.176 0.000 -2.026) 2.973 2.859 ( 0.285 0.000 -0.637) 0.698 2.865 ( 1.283 0.000 -1.454) 1.939 2.928 ( 1.882 0.000 -1.190) 2.226 2.991 ( 2.058 0.000 -1.736) 2.692 3.025 ( 4.367 0.000 -3.362) 5.512 3.112 ( -0.182 0.000 2.193) 2.200 3.263 ( -6.114 0.000 0.926) 6.184 3.458 ( 1.545 0.000 3.152) 3.510 3.487 ( 0.586 0.000 -1.073) 1.223 3.596 ( 1.677 0.000 -1.552) 2.285 3.636 ( -6.044 0.000 -1.317) 6.186 3.856 ( -1.166 0.000 1.703) 2.064 3.889 ( -7.208 0.000 -0.233) 7.211 3.896 ( 2.268 0.000 -1.482) 2.710 4.147 ( -3.236 0.000 -0.532) 3.279 4.259 ( -2.658 0.000 0.812) 2.779 4.282 ( -2.846 0.000 -1.094) 3.048 4.435 ( 2.673 0.000 -0.860) 2.808 4.444 ( 4.062 0.000 0.677) 4.118 4.830 ( 3.448 0.000 1.715) 3.851 4.855 ( -0.813 0.000 -1.615) 1.808 4.932 ( -1.489 0.000 2.458) 2.874 5.004 ( -1.609 0.000 -0.853) 1.821 5.243 ( 1.416 0.000 -0.180) 1.427 5.350 ( 0.517 0.000 0.212) 0.559 6.442 ( -1.479 0.000 0.277) 1.505 6.453 ( -2.179 0.000 -0.622) 2.266 6.696 ( -2.000 0.000 1.357) 2.417 6.736 ( -2.462 0.000 0.247) 2.474 7.373 ( 13.061 0.000 -0.753) 13.083 7.684 ( 9.120 0.000 -15.870) 18.304 8.759 ( -9.523 0.000 2.527) 9.853 8.951 ( -14.586 0.000 3.246) 14.943 13.135 ( 3.210 0.000 0.699) 3.285 13.155 ( 3.464 0.000 -0.141) 3.467 13.412 ( 4.599 0.000 -0.608) 4.639 13.560 ( 0.294 0.000 0.250) 0.386 13.560 ( 0.148 0.000 -0.950) 0.962 13.577 ( 6.059 0.000 -0.738) 6.104 13.897 ( 5.060 0.000 1.329) 5.232 13.987 ( 0.036 0.000 1.253) 1.253 14.232 ( 9.659 0.000 0.079) 9.659 14.235 ( 4.716 0.000 -9.701) 10.786 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( -3.381 0.000 -4.735) 5.818 0.846 ( 10.868 0.000 -3.469) 11.409 0.909 ( 3.082 0.000 4.995) 5.869 1.083 ( 6.408 0.000 -0.864) 6.466 1.137 ( 2.693 0.000 2.738) 3.840 1.221 ( 4.511 0.000 1.280) 4.689 1.349 ( -4.268 0.000 -0.492) 4.297 1.428 ( -5.950 0.000 4.354) 7.373 1.531 ( -4.533 0.000 -2.147) 5.016 1.671 ( -5.297 0.000 0.652) 5.337 1.672 ( 3.310 0.000 -3.115) 4.545 1.742 ( 5.452 0.000 2.803) 6.130 1.854 ( 5.507 0.000 1.545) 5.720 1.905 ( 10.989 0.000 2.318) 11.231 1.919 ( 0.424 0.000 -0.479) 0.640 1.975 ( 7.452 0.000 2.232) 7.779 2.068 ( 5.423 0.000 1.843) 5.727 2.310 ( 9.657 0.000 2.144) 9.892 2.446 ( -2.733 0.000 4.213) 5.021 2.550 ( -1.320 0.000 0.610) 1.454 2.593 ( 1.408 0.000 2.771) 3.108 2.644 ( 0.231 0.000 -0.548) 0.595 2.764 ( 2.116 0.000 -1.383) 2.528 2.847 ( -0.346 0.000 -0.982) 1.041 2.868 ( -0.003 0.000 -0.083) 0.083 2.941 ( 2.425 0.000 -1.944) 3.108 3.048 ( 5.700 0.000 -0.918) 5.774 3.071 ( 4.900 0.000 -2.228) 5.383 3.136 ( 0.395 0.000 1.602) 1.650 3.168 ( -6.059 0.000 1.278) 6.193 3.470 ( -5.428 0.000 -0.127) 5.430 3.491 ( 0.895 0.000 -0.450) 1.001 3.558 ( -0.410 0.000 1.792) 1.838 3.614 ( 2.441 0.000 -1.679) 2.962 3.730 ( -10.263 0.000 -0.267) 10.267 3.843 ( -2.734 0.000 1.139) 2.961 3.907 ( 1.069 0.000 -1.510) 1.850 4.079 ( -3.754 0.000 -0.789) 3.836 4.214 ( -3.199 0.000 -0.961) 3.341 4.233 ( -1.600 0.000 1.113) 1.949 4.446 ( 0.467 0.000 -1.220) 1.306 4.530 ( 4.473 0.000 1.331) 4.667 4.819 ( -1.856 0.000 -1.905) 2.659 4.907 ( 1.120 0.000 1.561) 1.921 4.961 ( 3.341 0.000 2.343) 4.081 4.977 ( 0.542 0.000 -0.917) 1.066 5.261 ( 0.767 0.000 -0.135) 0.779 5.359 ( 0.173 0.000 0.269) 0.320 6.402 ( -2.618 0.000 -0.729) 2.718 6.404 ( -2.806 0.000 -0.038) 2.807 6.678 ( -1.629 0.000 0.983) 1.903 6.687 ( -3.172 0.000 -0.046) 3.172 7.559 ( 9.381 0.000 -0.940) 9.428 7.659 ( 4.263 0.000 -8.717) 9.703 8.629 ( -8.049 0.000 1.987) 8.291 8.742 ( -11.657 0.000 0.983) 11.699 13.195 ( 2.736 0.000 0.593) 2.799 13.209 ( 2.810 0.000 -0.169) 2.815 13.481 ( 3.615 0.000 -0.350) 3.632 13.547 ( 0.147 0.000 -1.305) 1.313 13.559 ( -0.229 0.000 0.243) 0.334 13.685 ( 6.103 0.000 -0.236) 6.107 13.983 ( 3.191 0.000 0.420) 3.219 14.010 ( 0.832 0.000 1.079) 1.362 14.221 ( 3.389 0.000 -4.542) 5.667 14.393 ( 8.012 0.000 0.622) 8.036 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.202 ( -1.908 0.000 -2.726) 3.328 0.936 ( 3.936 0.000 -2.401) 4.610 0.977 ( 0.363 0.000 2.351) 2.379 1.136 ( 2.431 0.000 -2.561) 3.531 1.207 ( 4.016 0.000 0.199) 4.021 1.294 ( -2.085 0.000 1.136) 2.374 1.331 ( 4.491 0.000 0.751) 4.554 1.372 ( -5.276 0.000 2.188) 5.711 1.445 ( -3.194 0.000 0.616) 3.252 1.588 ( -3.656 0.000 0.087) 3.657 1.687 ( 1.570 0.000 -1.541) 2.200 1.835 ( 2.693 0.000 1.123) 2.918 1.906 ( -0.953 0.000 0.637) 1.146 1.923 ( 1.253 0.000 0.791) 1.482 1.924 ( -1.043 0.000 0.346) 1.099 2.190 ( 7.341 0.000 -0.132) 7.342 2.208 ( 7.026 0.000 0.867) 7.079 2.322 ( -7.030 0.000 1.729) 7.239 2.534 ( -0.665 0.000 0.039) 0.666 2.596 ( 8.942 0.000 1.850) 9.131 2.638 ( 0.848 0.000 0.812) 1.174 2.639 ( 0.341 0.000 -0.827) 0.895 2.784 ( 0.688 0.000 -0.368) 0.780 2.846 ( 1.318 0.000 -0.533) 1.422 2.851 ( -1.578 0.000 -0.353) 1.617 2.974 ( 3.182 0.000 -1.448) 3.497 3.080 ( -3.698 0.000 0.901) 3.806 3.154 ( 5.859 0.000 -1.289) 5.999 3.156 ( -0.080 0.000 1.994) 1.996 3.168 ( 6.447 0.000 1.138) 6.546 3.332 ( -8.191 0.000 -1.161) 8.273 3.501 ( -0.163 0.000 0.877) 0.892 3.550 ( -7.760 0.000 -1.512) 7.906 3.591 ( 0.637 0.000 1.131) 1.298 3.635 ( 1.537 0.000 -1.022) 1.846 3.806 ( -2.094 0.000 0.656) 2.194 3.905 ( 0.269 0.000 -0.640) 0.694 4.017 ( -2.017 0.000 -0.433) 2.063 4.166 ( -1.255 0.000 -0.383) 1.312 4.226 ( -0.419 0.000 0.469) 0.629 4.438 ( -0.033 0.000 -0.481) 0.482 4.623 ( 4.258 0.000 1.684) 4.579 4.740 ( -4.152 0.000 -1.913) 4.572 4.918 ( -0.379 0.000 0.702) 0.798 5.000 ( 1.839 0.000 -0.342) 1.870 5.051 ( 3.028 0.000 0.894) 3.157 5.265 ( -0.008 0.000 -0.092) 0.092 5.361 ( -0.090 0.000 0.129) 0.157 6.358 ( -1.374 0.000 -0.340) 1.415 6.361 ( -1.631 0.000 -0.070) 1.633 6.641 ( -1.558 0.000 -0.113) 1.562 6.664 ( -0.711 0.000 0.280) 0.764 7.640 ( 1.286 0.000 -2.895) 3.168 7.662 ( 3.320 0.000 -0.396) 3.343 8.546 ( -3.069 0.000 0.731) 3.155 8.605 ( -4.475 0.000 0.199) 4.480 13.234 ( 1.087 0.000 0.236) 1.113 13.241 ( 1.072 0.000 -0.078) 1.075 13.509 ( 0.171 0.000 -0.109) 0.203 13.551 ( 1.224 0.000 -0.595) 1.362 13.559 ( -0.057 0.000 0.115) 0.128 13.760 ( 2.451 0.000 0.002) 2.451 14.012 ( 0.662 0.000 -0.367) 0.757 14.031 ( 0.474 0.000 0.450) 0.654 14.240 ( 1.684 0.000 -0.932) 1.925 14.497 ( 3.074 0.000 0.337) 3.092 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 0.000 11.142 0.000) 11.142 0.320 ( 0.000 15.904 0.000) 15.904 0.369 ( 0.000 12.115 0.000) 12.115 0.641 ( 0.000 -0.552 0.000) 0.552 0.654 ( 0.000 -4.260 0.000) 4.260 0.870 ( 0.000 -8.620 0.000) 8.620 0.910 ( 0.000 11.390 0.000) 11.390 1.443 ( 0.000 1.960 0.000) 1.960 1.473 ( 0.000 -2.558 0.000) 2.558 1.549 ( 0.000 -8.789 0.000) 8.789 1.668 ( 0.000 -0.574 0.000) 0.574 1.670 ( 0.000 -0.015 0.000) 0.015 1.703 ( 0.000 0.164 0.000) 0.164 1.718 ( 0.000 4.424 0.000) 4.424 1.794 ( 0.000 -2.357 0.000) 2.357 2.015 ( 0.000 -7.497 0.000) 7.497 2.165 ( 0.000 2.457 0.000) 2.457 2.297 ( 0.000 -0.070 0.000) 0.070 2.308 ( 0.000 1.696 0.000) 1.696 2.353 ( 0.000 1.639 0.000) 1.639 2.531 ( 0.000 -2.040 0.000) 2.040 2.752 ( 0.000 0.306 0.000) 0.306 2.754 ( 0.000 -1.175 0.000) 1.175 2.806 ( 0.000 5.533 0.000) 5.533 2.909 ( 0.000 2.509 0.000) 2.509 2.921 ( 0.000 1.419 0.000) 1.419 3.028 ( 0.000 1.433 0.000) 1.433 3.069 ( 0.000 -1.525 0.000) 1.525 3.100 ( 0.000 -1.981 0.000) 1.981 3.229 ( 0.000 -10.631 0.000) 10.631 3.423 ( 0.000 3.499 0.000) 3.499 3.542 ( 0.000 -0.430 0.000) 0.430 3.646 ( 0.000 5.027 0.000) 5.027 3.794 ( 0.000 -1.989 0.000) 1.989 3.822 ( 0.000 2.711 0.000) 2.711 3.969 ( 0.000 -3.908 0.000) 3.908 4.123 ( 0.000 3.401 0.000) 3.401 4.224 ( 0.000 -1.522 0.000) 1.522 4.307 ( 0.000 -0.269 0.000) 0.269 4.321 ( 0.000 -0.497 0.000) 0.497 4.346 ( 0.000 1.119 0.000) 1.119 4.357 ( 0.000 0.400 0.000) 0.400 4.805 ( 0.000 0.881 0.000) 0.881 4.864 ( 0.000 -1.454 0.000) 1.454 4.958 ( 0.000 1.437 0.000) 1.437 5.027 ( 0.000 -1.382 0.000) 1.382 5.280 ( 0.000 0.771 0.000) 0.771 5.319 ( 0.000 -0.829 0.000) 0.829 6.454 ( 0.000 0.755 0.000) 0.755 6.492 ( 0.000 -0.780 0.000) 0.780 6.727 ( 0.000 0.798 0.000) 0.798 6.761 ( 0.000 -0.569 0.000) 0.569 7.036 ( 0.000 0.389 0.000) 0.389 7.059 ( 0.000 -0.510 0.000) 0.510 8.946 ( 0.000 0.951 0.000) 0.951 8.998 ( 0.000 -1.147 0.000) 1.147 13.061 ( 0.000 0.551 0.000) 0.551 13.079 ( 0.000 -0.177 0.000) 0.177 13.467 ( 0.000 0.919 0.000) 0.919 13.541 ( 0.000 -2.152 0.000) 2.152 13.561 ( 0.000 0.374 0.000) 0.374 13.568 ( 0.000 0.011 0.000) 0.011 13.805 ( 0.000 3.044 0.000) 3.044 13.946 ( 0.000 -3.183 0.000) 3.183 14.018 ( 0.000 0.688 0.000) 0.688 14.026 ( 0.000 0.023 0.000) 0.023 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 11.247 3.360 6.808) 13.570 0.423 ( 13.075 4.178 2.804) 14.010 0.610 ( 0.884 1.319 1.238) 2.013 0.729 ( 5.709 -3.287 4.577) 8.022 0.781 ( 20.571 3.464 1.793) 20.938 0.986 ( 10.161 11.608 1.188) 15.473 1.032 ( 14.045 -7.691 0.734) 16.030 1.416 ( -1.180 3.763 0.001) 3.944 1.485 ( 1.991 -3.809 -0.619) 4.342 1.539 ( 0.299 -5.322 -0.699) 5.376 1.599 ( -2.676 -0.572 -3.143) 4.167 1.666 ( -2.496 -0.220 2.993) 3.903 1.724 ( -0.514 2.039 1.758) 2.740 1.775 ( 0.625 -1.555 2.192) 2.759 1.813 ( 0.954 -2.476 1.285) 2.948 2.001 ( -1.594 -5.258 0.892) 5.567 2.099 ( -5.009 4.489 -0.590) 6.752 2.275 ( -2.146 2.227 -0.333) 3.111 2.322 ( -0.631 -1.007 3.820) 4.001 2.395 ( 2.802 -5.021 1.353) 5.907 2.561 ( 2.455 0.772 0.969) 2.750 2.725 ( -3.553 6.100 1.582) 7.234 2.762 ( 1.785 -5.287 -1.085) 5.685 2.835 ( 2.104 5.854 -0.399) 6.233 2.921 ( 2.171 1.878 -1.197) 3.110 2.926 ( 2.091 1.851 -2.931) 4.048 2.990 ( -2.895 -1.378 -2.212) 3.895 3.024 ( -2.328 1.475 1.449) 3.113 3.085 ( -0.226 -0.814 2.007) 2.177 3.225 ( -1.328 -9.062 -0.678) 9.184 3.436 ( 1.371 2.860 0.396) 3.196 3.528 ( -0.620 -0.124 -0.924) 1.119 3.636 ( -2.131 4.989 1.213) 5.559 3.772 ( -4.610 2.125 -0.862) 5.149 3.809 ( 0.157 -2.144 1.339) 2.532 3.882 ( -3.142 -1.115 -1.845) 3.810 4.053 ( -3.215 5.196 -0.871) 6.171 4.186 ( -3.068 -1.683 -0.108) 3.502 4.297 ( -0.614 0.382 -0.501) 0.880 4.324 ( 0.820 -0.313 -1.108) 1.414 4.383 ( 2.589 0.945 0.731) 2.852 4.401 ( 2.988 0.827 -0.777) 3.196 4.798 ( 0.539 1.633 0.638) 1.834 4.869 ( -0.243 -1.664 -0.543) 1.767 4.948 ( -1.664 1.158 1.031) 2.274 5.017 ( -0.994 -1.513 -0.273) 1.831 5.252 ( -0.117 2.345 -0.310) 2.368 5.326 ( 0.427 -1.237 0.035) 1.310 6.455 ( -0.268 0.549 0.336) 0.697 6.482 ( -1.042 -0.533 -0.203) 1.188 6.723 ( -1.713 0.771 1.178) 2.217 6.756 ( -1.069 -0.560 0.437) 1.284 7.173 ( 12.116 1.182 -0.633) 12.190 7.427 ( 27.181 -16.201 -12.445) 34.002 8.894 ( -6.383 1.737 1.879) 6.877 9.021 ( -7.036 -5.916 7.459) 11.838 13.085 ( 2.411 0.575 0.343) 2.503 13.103 ( 2.683 -0.090 -0.235) 2.695 13.437 ( -2.250 4.649 -1.014) 5.263 13.493 ( 3.339 0.121 -1.554) 3.685 13.563 ( 0.342 0.212 -0.169) 0.436 13.564 ( 0.338 0.203 0.017) 0.395 13.827 ( 2.775 2.187 0.774) 3.617 13.961 ( -0.232 -2.668 0.833) 2.804 14.078 ( 7.186 -0.448 -1.280) 7.312 14.153 ( 11.005 -5.838 -7.580) 14.582 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -1.375 7.640 -1.781) 7.964 0.632 ( 12.198 0.176 3.722) 12.755 0.775 ( 10.629 1.309 4.959) 11.802 0.897 ( 8.149 -4.462 3.060) 9.782 0.985 ( 4.341 -0.070 1.793) 4.697 1.177 ( 2.832 -3.809 0.311) 4.757 1.358 ( 20.844 2.283 2.515) 21.119 1.452 ( 0.295 2.649 -0.722) 2.761 1.518 ( -0.730 -7.348 0.167) 7.386 1.541 ( 1.891 1.557 -1.686) 2.974 1.589 ( 8.287 -1.519 -0.586) 8.445 1.676 ( 2.681 2.847 3.248) 5.084 1.706 ( -2.813 -1.223 1.748) 3.530 1.797 ( 2.646 -1.070 -1.318) 3.144 1.848 ( 2.679 -0.504 0.202) 2.734 1.978 ( -4.438 -3.838 2.918) 6.553 2.056 ( 1.413 7.111 1.573) 7.419 2.236 ( -1.452 2.570 1.259) 3.209 2.371 ( -0.162 -4.253 4.445) 6.154 2.458 ( 3.261 -7.393 0.681) 8.109 2.610 ( 0.941 4.065 1.311) 4.374 2.684 ( -2.982 5.141 1.777) 6.203 2.782 ( 1.766 -3.167 -0.956) 3.750 2.849 ( 0.462 5.701 -0.599) 5.751 2.904 ( -0.163 -0.394 -1.789) 1.839 2.955 ( 2.317 2.535 -0.666) 3.498 2.989 ( 3.897 -2.388 -2.366) 5.146 3.006 ( 0.120 0.876 -0.666) 1.107 3.104 ( -0.375 -0.846 2.094) 2.289 3.181 ( -2.167 -6.578 -1.106) 7.013 3.471 ( 1.153 1.051 1.265) 2.009 3.511 ( -0.134 0.337 -0.584) 0.688 3.606 ( -2.687 2.971 0.300) 4.017 3.674 ( -4.114 2.595 -1.296) 5.034 3.801 ( -3.378 -3.493 0.178) 4.863 3.837 ( -1.963 -2.716 0.680) 3.419 3.996 ( -2.037 5.238 -1.132) 5.733 4.132 ( -3.030 -1.651 -0.374) 3.471 4.266 ( -2.369 0.942 -0.127) 2.553 4.290 ( -2.684 0.423 -1.168) 2.957 4.447 ( 3.295 0.981 -0.563) 3.484 4.453 ( 4.050 0.682 0.338) 4.121 4.837 ( 2.336 0.562 0.995) 2.601 4.854 ( 0.094 -0.021 -0.691) 0.698 4.933 ( -1.711 0.346 1.976) 2.637 4.989 ( -1.586 -1.432 -0.478) 2.189 5.262 ( 1.080 1.734 -0.146) 2.048 5.336 ( 0.550 -1.344 0.160) 1.461 6.444 ( -1.555 0.193 0.157) 1.574 6.452 ( -2.056 -0.119 -0.483) 2.115 6.702 ( -2.123 0.621 1.179) 2.507 6.731 ( -2.449 -0.500 0.393) 2.530 7.390 ( 13.395 1.995 -1.765) 13.658 7.597 ( 11.788 -7.359 -11.526) 18.055 8.779 ( -9.643 1.940 2.600) 10.174 8.905 ( -12.392 -3.830 3.450) 13.421 13.140 ( 3.216 0.478 0.471) 3.285 13.155 ( 3.406 -0.038 -0.185) 3.411 13.451 ( 3.688 3.305 -0.692) 5.000 13.552 ( 2.398 -0.992 -0.401) 2.625 13.567 ( 0.322 0.517 -0.495) 0.785 13.573 ( 3.277 -0.085 -0.524) 3.320 13.902 ( 4.125 0.700 0.940) 4.288 13.977 ( 1.082 -1.427 0.751) 1.942 14.195 ( 6.922 -1.860 -4.678) 8.559 14.224 ( 8.139 -1.495 -2.004) 8.515 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -2.448 11.859 -2.164) 12.301 0.815 ( 6.634 -3.530 -0.207) 7.518 0.961 ( 5.993 3.752 1.782) 7.292 1.043 ( 7.364 -2.678 -0.648) 7.862 1.072 ( 4.583 -3.249 1.486) 5.811 1.224 ( 3.368 -0.703 -0.334) 3.457 1.401 ( -4.288 2.012 2.614) 5.410 1.473 ( -5.150 3.689 2.191) 6.703 1.486 ( -3.154 -2.449 1.052) 4.129 1.584 ( 2.153 -3.544 -2.939) 5.083 1.647 ( -1.235 -4.183 1.084) 4.494 1.737 ( 2.325 -5.294 1.568) 5.990 1.812 ( 4.523 2.266 1.754) 5.355 1.896 ( 5.830 1.825 0.325) 6.117 1.943 ( -3.149 -1.987 2.724) 4.613 1.962 ( 10.034 -1.057 1.030) 10.142 2.173 ( 10.047 8.256 0.213) 13.006 2.313 ( 7.935 0.587 2.568) 8.361 2.414 ( 1.362 -2.428 3.820) 4.727 2.516 ( 3.027 -6.444 -0.303) 7.126 2.614 ( -1.351 5.412 0.799) 5.635 2.676 ( -0.246 2.980 1.692) 3.436 2.797 ( 0.950 0.212 -0.816) 1.270 2.849 ( 0.010 3.075 -0.043) 3.076 2.900 ( 1.897 -0.925 -1.779) 2.760 2.952 ( -1.088 3.231 -0.111) 3.411 3.024 ( 0.956 -4.250 0.476) 4.383 3.051 ( 5.679 0.166 -1.060) 5.779 3.117 ( 0.115 -1.840 0.884) 2.044 3.143 ( 0.015 -1.967 -1.460) 2.450 3.462 ( -4.601 -0.266 -0.250) 4.616 3.515 ( -0.405 -1.649 1.158) 2.055 3.548 ( -2.107 2.835 -0.235) 3.540 3.636 ( 0.861 1.381 -1.768) 2.403 3.705 ( -6.933 -1.226 0.485) 7.058 3.808 ( -3.195 -3.326 1.475) 4.842 3.956 ( -1.046 3.824 -1.558) 4.259 4.068 ( -3.496 -1.235 -0.977) 3.835 4.220 ( -2.884 0.571 -0.707) 3.023 4.235 ( -2.113 0.074 0.472) 2.166 4.473 ( 1.237 2.384 -1.164) 2.927 4.536 ( 4.415 0.135 0.691) 4.471 4.824 ( -2.048 0.748 -1.014) 2.404 4.893 ( 0.052 -1.483 1.298) 1.971 4.961 ( 3.499 0.079 1.782) 3.928 4.974 ( 1.256 -0.328 -0.524) 1.400 5.276 ( 0.641 1.477 -0.104) 1.614 5.346 ( 0.233 -1.317 0.200) 1.353 6.404 ( -2.626 0.115 -0.603) 2.696 6.405 ( -2.761 0.067 -0.111) 2.764 6.679 ( -1.893 0.080 0.806) 2.059 6.685 ( -2.990 -0.148 0.089) 2.995 7.563 ( 8.934 0.525 -1.802) 9.129 7.632 ( 5.434 -2.368 -7.226) 9.346 8.645 ( -8.290 1.546 1.896) 8.643 8.723 ( -10.737 -1.725 1.249) 10.946 13.197 ( 2.671 0.209 0.392) 2.708 13.208 ( 2.708 -0.132 -0.132) 2.715 13.510 ( 2.732 2.424 -0.182) 3.657 13.553 ( 0.172 0.203 -0.467) 0.538 13.566 ( 0.627 1.153 -0.639) 1.460 13.665 ( 5.705 -1.985 -0.273) 6.047 13.969 ( 2.536 -0.650 0.516) 2.669 14.005 ( 1.382 -1.105 -0.155) 1.776 14.239 ( 4.548 2.083 -2.637) 5.655 14.366 ( 7.504 -2.663 0.369) 7.971 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -1.094 14.282 -1.197) 14.373 0.875 ( 1.894 -6.892 -0.896) 7.204 1.030 ( 0.984 4.568 1.185) 4.820 1.120 ( 2.923 -1.230 -2.265) 3.897 1.168 ( 4.988 -1.599 -0.280) 5.245 1.278 ( 3.910 -0.395 -0.635) 3.981 1.361 ( -6.227 -0.555 2.238) 6.640 1.409 ( -0.984 3.839 0.879) 4.059 1.452 ( -3.272 1.100 2.626) 4.338 1.579 ( 0.608 -4.717 -1.333) 4.939 1.611 ( -1.930 -1.540 -0.023) 2.470 1.805 ( 2.678 -6.123 0.980) 6.755 1.870 ( 1.844 0.425 0.307) 1.917 1.907 ( -2.738 -0.323 0.789) 2.868 1.960 ( 0.872 1.387 0.971) 1.905 2.067 ( 1.844 -5.549 0.182) 5.850 2.321 ( 4.962 5.900 -0.956) 7.768 2.410 ( 1.035 6.595 2.545) 7.145 2.539 ( 1.244 -4.697 1.171) 4.998 2.573 ( 5.338 -0.112 -0.594) 5.373 2.608 ( 1.919 3.080 0.456) 3.657 2.703 ( 1.144 1.584 0.524) 2.023 2.801 ( 0.424 1.804 -0.050) 1.854 2.846 ( 0.155 1.041 -0.626) 1.224 2.900 ( -0.563 3.417 -0.626) 3.519 2.956 ( 1.791 -1.284 -0.601) 2.284 3.022 ( -1.894 -4.400 1.192) 4.936 3.127 ( 0.929 -2.903 -0.135) 3.051 3.161 ( 5.495 0.551 0.757) 5.574 3.182 ( 6.140 0.659 0.288) 6.182 3.330 ( -8.736 0.196 -0.900) 8.785 3.457 ( -6.414 -5.939 -0.050) 8.741 3.542 ( 0.467 3.490 -0.149) 3.525 3.625 ( -0.314 0.595 -0.744) 1.003 3.650 ( -0.036 1.556 0.213) 1.571 3.770 ( -2.232 -3.355 0.950) 4.140 3.929 ( -0.436 2.154 -0.739) 2.319 4.007 ( -1.915 -1.047 -0.561) 2.254 4.176 ( -1.229 0.909 -0.331) 1.564 4.218 ( -0.617 -0.804 0.305) 1.058 4.474 ( 0.254 3.346 -0.502) 3.393 4.610 ( 2.995 -1.847 0.581) 3.566 4.762 ( -2.951 2.548 -0.735) 3.968 4.894 ( -0.571 -2.389 0.613) 2.532 5.009 ( 2.055 0.757 -0.189) 2.198 5.044 ( 2.892 -0.717 0.670) 3.054 5.280 ( -0.025 1.412 -0.068) 1.413 5.348 ( -0.080 -1.320 0.094) 1.325 6.360 ( -1.409 0.147 -0.294) 1.447 6.362 ( -1.604 0.086 -0.094) 1.609 6.644 ( -1.437 0.255 -0.060) 1.461 6.660 ( -0.832 -0.393 0.221) 0.947 7.635 ( 1.646 -0.262 -2.459) 2.970 7.652 ( 3.055 -0.854 -0.727) 3.254 8.558 ( -3.186 1.079 0.671) 3.430 8.599 ( -4.167 -0.615 0.298) 4.222 13.233 ( 1.056 -0.012 0.151) 1.067 13.239 ( 1.028 -0.183 -0.050) 1.045 13.521 ( -0.151 0.998 -0.157) 1.021 13.554 ( -0.057 -0.412 0.082) 0.424 13.586 ( 1.560 3.415 -0.456) 3.782 13.736 ( 2.330 -2.485 -0.027) 3.406 14.001 ( 0.896 -0.800 0.090) 1.205 14.015 ( 0.342 -1.311 -0.306) 1.389 14.283 ( 1.960 3.972 -0.440) 4.451 14.462 ( 2.899 -3.409 0.270) 4.483 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 0.000 -6.211 0.000) 6.211 0.412 ( 0.000 6.211 0.000) 6.211 0.591 ( 0.000 -6.699 0.000) 6.699 0.591 ( 0.000 6.699 0.000) 6.699 0.649 ( 0.000 -6.855 0.000) 6.855 0.649 ( 0.000 6.855 0.000) 6.855 1.239 ( 0.000 -17.781 0.000) 17.781 1.239 ( 0.000 17.781 0.000) 17.781 1.471 ( 0.000 -1.431 0.000) 1.431 1.471 ( 0.000 1.431 0.000) 1.431 1.660 ( 0.000 -0.350 0.000) 0.350 1.660 ( 0.000 0.350 0.000) 0.350 1.738 ( 0.000 -2.629 0.000) 2.629 1.738 ( 0.000 2.629 0.000) 2.629 1.856 ( 0.000 -8.225 0.000) 8.225 1.856 ( 0.000 8.225 0.000) 8.225 2.239 ( 0.000 -4.721 0.000) 4.721 2.239 ( 0.000 4.721 0.000) 4.721 2.341 ( 0.000 -1.422 0.000) 1.422 2.341 ( 0.000 1.422 0.000) 1.422 2.612 ( 0.000 -7.361 0.000) 7.361 2.612 ( 0.000 7.361 0.000) 7.361 2.840 ( 0.000 -1.779 0.000) 1.779 2.840 ( 0.000 1.779 0.000) 1.779 2.965 ( 0.000 -0.211 0.000) 0.211 2.965 ( 0.000 0.211 0.000) 0.211 3.054 ( 0.000 -3.577 0.000) 3.577 3.054 ( 0.000 3.577 0.000) 3.577 3.061 ( 0.000 -1.344 0.000) 1.344 3.061 ( 0.000 1.344 0.000) 1.344 3.496 ( 0.000 -3.473 0.000) 3.473 3.496 ( 0.000 3.473 0.000) 3.473 3.738 ( 0.000 -3.798 0.000) 3.798 3.738 ( 0.000 3.798 0.000) 3.798 3.891 ( 0.000 -3.986 0.000) 3.986 3.891 ( 0.000 3.986 0.000) 3.986 4.183 ( 0.000 -2.636 0.000) 2.636 4.183 ( 0.000 2.636 0.000) 2.636 4.310 ( 0.000 -0.485 0.000) 0.485 4.310 ( 0.000 0.485 0.000) 0.485 4.360 ( 0.000 -0.231 0.000) 0.231 4.360 ( 0.000 0.231 0.000) 0.231 4.831 ( 0.000 -1.699 0.000) 1.699 4.831 ( 0.000 1.699 0.000) 1.699 4.993 ( 0.000 -1.970 0.000) 1.970 4.993 ( 0.000 1.970 0.000) 1.970 5.299 ( 0.000 -1.119 0.000) 1.119 5.299 ( 0.000 1.119 0.000) 1.119 6.473 ( 0.000 -1.085 0.000) 1.085 6.473 ( 0.000 1.085 0.000) 1.085 6.746 ( 0.000 -0.963 0.000) 0.963 6.746 ( 0.000 0.963 0.000) 0.963 7.047 ( 0.000 -0.641 0.000) 0.641 7.047 ( 0.000 0.641 0.000) 0.641 8.971 ( 0.000 -1.485 0.000) 1.485 8.971 ( 0.000 1.485 0.000) 1.485 13.072 ( 0.000 -0.540 0.000) 0.540 13.072 ( 0.000 0.540 0.000) 0.540 13.496 ( 0.000 -2.046 0.000) 2.046 13.496 ( 0.000 2.046 0.000) 2.046 13.567 ( 0.000 -0.192 0.000) 0.192 13.567 ( 0.000 0.192 0.000) 0.192 13.875 ( 0.000 -3.856 0.000) 3.856 13.875 ( 0.000 3.856 0.000) 3.856 14.026 ( 0.000 -0.138 0.000) 0.138 14.026 ( 0.000 0.138 0.000) 0.138 ======================= Grid point 20 (12/96) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 6.339 -3.401 3.947) 8.206 0.440 ( 6.339 3.401 3.947) 8.206 0.653 ( 3.903 -3.328 4.178) 6.615 0.653 ( 3.903 3.328 4.178) 6.615 0.874 ( 16.645 -6.214 0.627) 17.778 0.874 ( 16.645 6.214 0.627) 17.778 1.270 ( 4.949 -14.163 -0.949) 15.033 1.270 ( 4.949 14.163 -0.949) 15.033 1.481 ( 1.348 -2.339 0.014) 2.700 1.481 ( 1.348 2.339 0.014) 2.700 1.625 ( -2.357 -2.653 0.121) 3.551 1.625 ( -2.357 2.653 0.121) 3.551 1.750 ( 0.665 -2.720 -0.412) 2.830 1.750 ( 0.665 2.720 -0.412) 2.830 1.873 ( -0.616 -7.102 2.714) 7.628 1.873 ( -0.616 7.102 2.714) 7.628 2.223 ( -1.572 -7.498 0.404) 7.672 2.223 ( -1.572 7.498 0.404) 7.672 2.325 ( -1.276 -1.927 0.532) 2.371 2.325 ( -1.276 1.927 0.532) 2.371 2.643 ( 2.616 -5.960 0.728) 6.550 2.643 ( 2.616 5.960 0.728) 6.550 2.855 ( -0.333 -4.778 1.053) 4.904 2.855 ( -0.333 4.778 1.053) 4.904 2.934 ( -0.906 -1.097 -1.652) 2.180 2.934 ( -0.906 1.097 -1.652) 2.180 3.026 ( 0.850 -4.397 -3.048) 5.417 3.026 ( 0.850 4.397 -3.048) 5.417 3.080 ( -1.083 -2.993 2.437) 4.009 3.080 ( -1.083 2.993 2.437) 4.009 3.493 ( 0.417 -2.690 -0.793) 2.835 3.493 ( 0.417 2.690 -0.793) 2.835 3.736 ( -2.341 -4.389 2.029) 5.372 3.736 ( -2.341 4.389 2.029) 5.372 3.835 ( -3.638 -3.121 -1.481) 5.017 3.835 ( -3.638 3.121 -1.481) 5.017 4.138 ( -3.354 -3.278 -0.422) 4.709 4.138 ( -3.354 3.278 -0.422) 4.709 4.312 ( 1.019 -0.852 -1.049) 1.693 4.312 ( 1.019 0.852 -1.049) 1.693 4.402 ( 2.859 -0.681 -0.010) 2.939 4.402 ( 2.859 0.681 -0.010) 2.939 4.833 ( 0.323 -1.885 0.192) 1.922 4.833 ( 0.323 1.885 0.192) 1.922 4.980 ( -1.514 -2.018 0.274) 2.538 4.980 ( -1.514 2.018 0.274) 2.538 5.295 ( -0.008 -1.940 -0.088) 1.942 5.295 ( -0.008 1.940 -0.088) 1.942 6.468 ( -0.633 -0.771 0.062) 0.999 6.468 ( -0.633 0.771 0.062) 0.999 6.741 ( -1.344 -0.948 0.764) 1.813 6.741 ( -1.344 0.948 0.764) 1.813 7.228 ( 17.873 -5.303 -2.880) 18.864 7.228 ( 17.873 5.303 -2.880) 18.864 8.940 ( -6.181 -2.979 3.343) 7.632 8.940 ( -6.181 2.979 3.343) 7.632 13.097 ( 2.642 -0.549 -0.008) 2.699 13.097 ( 2.642 0.549 -0.008) 2.699 13.487 ( 0.500 -1.046 -1.040) 1.557 13.487 ( 0.500 1.046 -1.040) 1.557 13.566 ( 0.436 -0.053 -0.141) 0.461 13.566 ( 0.436 0.053 -0.141) 0.461 13.889 ( 1.487 -3.886 0.492) 4.190 13.889 ( 1.487 3.886 0.492) 4.190 14.088 ( 7.182 -1.604 -2.228) 7.689 14.088 ( 7.182 1.604 -2.228) 7.689 ======================= Grid point 22 (13/96) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 4.553 -3.552 4.405) 7.263 0.617 ( 4.553 3.552 4.405) 7.263 0.807 ( 10.044 -3.662 2.159) 10.906 0.807 ( 10.044 3.662 2.159) 10.906 1.066 ( 5.599 -7.210 -0.336) 9.135 1.066 ( 5.599 7.210 -0.336) 9.135 1.404 ( 5.757 -2.789 2.066) 6.722 1.404 ( 5.757 2.789 2.066) 6.722 1.521 ( 4.887 -3.240 -0.959) 5.941 1.521 ( 4.887 3.240 -0.959) 5.941 1.616 ( 0.456 -4.235 0.032) 4.259 1.616 ( 0.456 4.235 0.032) 4.259 1.767 ( 4.090 -2.672 0.249) 4.892 1.767 ( 4.090 2.672 0.249) 4.892 1.883 ( -1.436 -4.493 2.799) 5.485 1.883 ( -1.436 4.493 2.799) 5.485 2.217 ( 0.256 -7.606 1.659) 7.789 2.217 ( 0.256 7.606 1.659) 7.789 2.336 ( 1.718 -3.671 1.010) 4.177 2.336 ( 1.718 3.671 1.010) 4.177 2.693 ( 1.218 -4.031 1.245) 4.391 2.693 ( 1.218 4.031 1.245) 4.391 2.828 ( -1.941 -6.518 0.381) 6.811 2.828 ( -1.941 6.518 0.381) 6.811 2.939 ( 1.932 -2.527 -1.759) 3.634 2.939 ( 1.932 2.527 -1.759) 3.634 3.014 ( -0.239 -2.716 0.468) 2.766 3.014 ( -0.239 2.716 0.468) 2.766 3.087 ( 1.072 -0.607 -0.959) 1.561 3.087 ( 1.072 0.607 -0.959) 1.561 3.494 ( 0.254 -1.303 -0.385) 1.382 3.494 ( 0.254 1.303 -0.385) 1.382 3.683 ( -4.552 -3.050 0.195) 5.483 3.683 ( -4.552 3.050 0.195) 5.483 3.778 ( -2.705 -2.263 0.366) 3.546 3.778 ( -2.705 2.263 0.366) 3.546 4.082 ( -2.580 -3.465 -0.688) 4.375 4.082 ( -2.580 3.465 -0.688) 4.375 4.287 ( -2.289 -0.782 -1.173) 2.688 4.287 ( -2.289 0.782 -1.173) 2.688 4.460 ( 3.990 -0.128 -0.124) 3.994 4.460 ( 3.990 0.128 -0.124) 3.994 4.849 ( 0.976 -0.591 0.348) 1.193 4.849 ( 0.976 0.591 0.348) 1.193 4.955 ( -1.627 -1.769 0.605) 2.479 4.955 ( -1.627 1.769 0.605) 2.479 5.301 ( 0.681 -2.089 0.003) 2.197 5.301 ( 0.681 2.089 0.003) 2.197 6.448 ( -1.781 -0.220 -0.153) 1.801 6.448 ( -1.781 0.220 -0.153) 1.801 6.717 ( -2.341 -0.823 0.769) 2.597 6.717 ( -2.341 0.823 0.769) 2.597 7.461 ( 13.744 -5.517 -5.212) 15.700 7.461 ( 13.744 5.517 -5.212) 15.700 8.831 ( -10.301 -3.361 3.029) 11.251 8.831 ( -10.301 3.361 3.029) 11.251 13.150 ( 3.291 -0.466 0.035) 3.324 13.150 ( 3.291 0.466 0.035) 3.324 13.514 ( 3.496 -2.788 -0.660) 4.520 13.514 ( 3.496 2.788 -0.660) 4.520 13.574 ( 0.837 -0.074 -0.385) 0.924 13.574 ( 0.837 0.074 -0.385) 0.924 13.933 ( 2.701 -2.433 0.279) 3.646 13.933 ( 2.701 2.433 0.279) 3.646 14.192 ( 7.621 -1.309 -1.977) 7.981 14.192 ( 7.621 1.309 -1.977) 7.981 ======================= Grid point 24 (14/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.257 -10.491 0.431) 10.503 0.674 ( 0.257 10.491 0.431) 10.503 1.000 ( 9.887 -1.931 -0.798) 10.106 1.000 ( 9.887 1.931 -0.798) 10.106 1.135 ( 3.432 -7.281 0.583) 8.071 1.135 ( 3.432 7.281 0.583) 8.071 1.436 ( -1.871 -3.099 2.407) 4.347 1.436 ( -1.871 3.099 2.407) 4.347 1.543 ( -5.174 -3.244 0.852) 6.166 1.543 ( -5.174 3.244 0.852) 6.166 1.629 ( 3.253 -4.376 0.023) 5.453 1.629 ( 3.253 4.376 0.023) 5.453 1.881 ( -0.184 -3.743 2.925) 4.754 1.881 ( -0.184 3.743 2.925) 4.754 1.932 ( 6.865 -1.782 0.064) 7.093 1.932 ( 6.865 1.782 0.064) 7.093 2.312 ( 9.275 -3.609 2.035) 10.159 2.312 ( 9.275 3.609 2.035) 10.159 2.397 ( 4.011 -3.444 0.575) 5.318 2.397 ( 4.011 3.444 0.575) 5.318 2.700 ( -1.458 -2.127 0.972) 2.756 2.700 ( -1.458 2.127 0.972) 2.756 2.831 ( 1.803 -4.458 -0.393) 4.825 2.831 ( 1.803 4.458 -0.393) 4.825 2.930 ( -1.749 -4.402 0.868) 4.816 2.930 ( -1.749 4.402 0.868) 4.816 3.033 ( 1.227 -3.099 0.302) 3.347 3.033 ( 1.227 3.099 0.302) 3.347 3.103 ( 3.237 -1.452 -1.970) 4.058 3.103 ( 3.237 1.452 -1.970) 4.058 3.473 ( -3.752 -1.537 0.275) 4.063 3.473 ( -3.752 1.537 0.275) 4.063 3.619 ( -1.292 -3.037 -1.568) 3.654 3.619 ( -1.292 3.037 -1.568) 3.654 3.733 ( -3.867 -3.642 1.786) 5.604 3.733 ( -3.867 3.642 1.786) 5.604 4.026 ( -2.646 -3.022 -1.339) 4.234 4.026 ( -2.646 3.022 -1.339) 4.234 4.232 ( -2.641 -0.445 -0.351) 2.701 4.232 ( -2.641 0.445 -0.351) 2.701 4.520 ( 3.100 -1.879 -0.582) 3.671 4.520 ( 3.100 1.879 -0.582) 3.671 4.854 ( -1.444 -2.166 0.549) 2.660 4.854 ( -1.444 2.166 0.549) 2.660 4.966 ( 2.701 -0.386 0.506) 2.775 4.966 ( 2.701 0.386 0.506) 2.775 5.312 ( 0.403 -1.969 0.033) 2.010 5.312 ( 0.403 1.969 0.033) 2.010 6.406 ( -2.673 -0.048 -0.330) 2.694 6.406 ( -2.673 0.048 -0.330) 2.694 6.682 ( -2.483 -0.178 0.426) 2.526 6.682 ( -2.483 0.178 0.426) 2.526 7.586 ( 7.533 -1.890 -4.207) 8.833 7.586 ( 7.533 1.890 -4.207) 8.833 8.683 ( -9.192 -2.184 1.653) 9.592 8.683 ( -9.192 2.184 1.653) 9.592 13.203 ( 2.608 -0.324 0.055) 2.629 13.203 ( 2.608 0.324 0.055) 2.629 13.546 ( 0.163 -0.967 -0.165) 0.995 13.546 ( 0.163 0.967 -0.165) 0.995 13.612 ( 4.250 -3.116 -0.568) 5.300 13.612 ( 4.250 3.116 -0.568) 5.300 13.975 ( 2.014 -1.325 -0.229) 2.422 13.975 ( 2.014 1.325 -0.229) 2.422 14.300 ( 6.243 -3.714 -0.486) 7.281 14.300 ( 6.243 3.714 -0.486) 7.281 ======================= Grid point 26 (15/96) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -0.147 -13.277 -0.422) 13.285 0.669 ( -0.147 13.277 -0.422) 13.285 1.097 ( 3.277 -1.444 -1.593) 3.919 1.097 ( 3.277 1.444 -1.593) 3.919 1.207 ( 3.413 -5.298 0.760) 6.348 1.207 ( 3.413 5.298 0.760) 6.348 1.428 ( -1.423 -6.600 -0.190) 6.755 1.428 ( -1.423 6.600 -0.190) 6.755 1.461 ( -3.984 -1.385 2.153) 4.735 1.461 ( -3.984 1.385 2.153) 4.735 1.677 ( 1.401 -5.886 0.424) 6.065 1.677 ( 1.401 5.886 0.424) 6.065 1.888 ( -0.426 -1.331 0.522) 1.492 1.888 ( -0.426 1.331 0.522) 1.492 1.994 ( 0.832 -2.330 0.499) 2.523 1.994 ( 0.832 2.330 0.499) 2.523 2.436 ( 1.991 -5.670 0.336) 6.018 2.436 ( 1.991 5.670 0.336) 6.018 2.521 ( 6.861 -4.392 0.642) 8.172 2.521 ( 6.861 4.392 0.642) 8.172 2.687 ( -0.438 -3.027 0.181) 3.064 2.687 ( -0.438 3.027 0.181) 3.064 2.854 ( 1.125 -2.747 -0.605) 3.030 2.854 ( 1.125 2.747 -0.605) 3.030 2.919 ( -0.751 -2.458 1.113) 2.801 2.919 ( -0.751 2.458 1.113) 2.801 3.043 ( 0.110 -5.352 -0.308) 5.362 3.043 ( 0.110 5.352 -0.308) 5.362 3.177 ( 6.456 -0.960 0.192) 6.530 3.177 ( 6.456 0.960 0.192) 6.530 3.361 ( -8.031 -3.337 -0.388) 8.705 3.361 ( -8.031 3.337 -0.388) 8.705 3.607 ( 0.861 -2.404 -1.038) 2.757 3.607 ( 0.861 2.404 -1.038) 2.757 3.697 ( -2.039 -3.433 1.247) 4.184 3.697 ( -2.039 3.433 1.247) 4.184 3.975 ( -1.422 -2.216 -0.740) 2.735 3.975 ( -1.422 2.216 -0.740) 2.735 4.198 ( -1.003 -1.196 -0.072) 1.562 4.198 ( -1.003 1.196 -0.072) 1.562 4.550 ( 1.118 -3.925 -0.369) 4.098 4.550 ( 1.118 3.925 -0.369) 4.098 4.830 ( -1.247 -3.837 0.343) 4.049 4.830 ( -1.247 3.837 0.343) 4.049 5.026 ( 2.509 -0.971 0.191) 2.697 5.026 ( 2.509 0.971 0.191) 2.697 5.314 ( -0.056 -1.947 0.010) 1.948 5.314 ( -0.056 1.947 0.010) 1.948 6.363 ( -1.511 -0.052 -0.182) 1.522 6.363 ( -1.511 0.052 -0.182) 1.522 6.651 ( -1.135 -0.473 0.078) 1.232 6.651 ( -1.135 0.473 0.078) 1.232 7.637 ( 2.397 -0.497 -1.541) 2.893 7.637 ( 2.397 0.497 -1.541) 2.893 8.581 ( -3.582 -1.153 0.504) 3.796 8.581 ( -3.582 1.153 0.504) 3.796 13.235 ( 1.006 -0.196 0.025) 1.025 13.235 ( 1.006 0.196 0.025) 1.025 13.541 ( -0.221 -0.919 -0.090) 0.949 13.541 ( -0.221 0.919 -0.090) 0.949 13.667 ( 2.000 -4.297 -0.180) 4.743 13.667 ( 2.000 4.297 -0.180) 4.743 13.995 ( 0.694 -0.432 -0.178) 0.837 13.995 ( 0.694 0.432 -0.178) 0.837 14.376 ( 2.462 -5.059 0.050) 5.627 14.376 ( 2.462 5.059 0.050) 5.627 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( -0.994 0.000 10.850) 10.896 0.338 ( -21.836 0.000 16.526) 27.385 0.402 ( 9.823 0.000 19.377) 21.725 0.663 ( -1.293 0.000 2.946) 3.217 0.746 ( 5.076 0.000 -1.694) 5.351 0.802 ( -0.399 0.000 6.450) 6.463 1.006 ( -2.122 0.000 2.338) 3.157 1.389 ( 3.274 0.000 -1.266) 3.510 1.506 ( -0.745 0.000 0.797) 1.091 1.597 ( -0.045 0.000 -4.891) 4.891 1.602 ( -2.177 0.000 -2.118) 3.037 1.678 ( 0.978 0.000 1.169) 1.524 1.745 ( -2.130 0.000 4.307) 4.804 1.823 ( -0.645 0.000 0.149) 0.662 2.052 ( 0.301 0.000 -3.674) 3.686 2.052 ( 4.538 0.000 -3.697) 5.853 2.169 ( -3.455 0.000 1.249) 3.674 2.274 ( 1.951 0.000 0.001) 1.951 2.346 ( 1.619 0.000 4.814) 5.078 2.349 ( 3.532 0.000 3.882) 5.248 2.644 ( 0.247 0.000 -0.687) 0.730 2.665 ( 0.837 0.000 -1.561) 1.771 2.745 ( -3.882 0.000 2.718) 4.739 2.796 ( 0.334 0.000 -3.265) 3.282 2.831 ( 1.377 0.000 -1.335) 1.918 2.901 ( -0.606 0.000 -0.144) 0.623 2.928 ( 4.407 0.000 -2.597) 5.115 3.028 ( -1.544 0.000 0.981) 1.829 3.097 ( 2.520 0.000 0.472) 2.563 3.326 ( 2.112 0.000 -3.265) 3.888 3.419 ( 2.191 0.000 1.503) 2.657 3.534 ( -5.215 0.000 0.402) 5.231 3.638 ( -4.257 0.000 0.188) 4.261 3.768 ( -0.300 0.000 -2.008) 2.030 3.828 ( 1.218 0.000 1.268) 1.758 3.859 ( -1.196 0.000 0.416) 1.266 4.043 ( -1.623 0.000 1.204) 2.021 4.223 ( 0.757 0.000 -1.619) 1.787 4.310 ( -1.231 0.000 0.127) 1.238 4.317 ( -2.425 0.000 -0.428) 2.462 4.341 ( 1.007 0.000 1.259) 1.612 4.357 ( 0.962 0.000 0.503) 1.086 4.783 ( -0.142 0.000 1.483) 1.490 4.883 ( -0.123 0.000 0.184) 0.222 4.938 ( 2.016 0.000 -0.392) 2.053 5.035 ( -0.462 0.000 -0.635) 0.785 5.217 ( -0.663 0.000 0.640) 0.921 5.321 ( 0.705 0.000 -0.637) 0.950 6.449 ( 0.601 0.000 0.273) 0.660 6.494 ( 0.031 0.000 -0.561) 0.562 6.769 ( 0.321 0.000 0.150) 0.354 6.790 ( 2.325 0.000 -0.202) 2.333 7.041 ( -11.952 0.000 0.058) 11.952 7.062 ( 0.370 0.000 -0.203) 0.422 8.950 ( 0.249 0.000 2.776) 2.787 9.287 ( 7.548 0.000 -1.409) 7.678 13.055 ( 0.486 0.000 -0.009) 0.486 13.080 ( -0.114 0.000 -0.073) 0.136 13.333 ( -0.832 0.000 0.638) 1.048 13.478 ( -2.843 0.000 -1.243) 3.103 13.562 ( -0.540 0.000 0.488) 0.728 13.567 ( -0.107 0.000 0.516) 0.527 13.772 ( 0.963 0.000 0.195) 0.983 13.955 ( 4.416 0.000 -3.238) 5.476 13.991 ( -9.203 0.000 -1.366) 9.304 14.023 ( -1.701 0.000 -0.372) 1.741 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 2.354 0.000 0.453) 2.397 0.460 ( 8.533 0.000 8.395) 11.970 0.722 ( 3.021 0.000 8.251) 8.787 0.813 ( 15.213 0.000 3.574) 15.627 0.900 ( 3.029 0.000 5.349) 6.147 0.936 ( 19.015 0.000 8.174) 20.698 1.157 ( 15.538 0.000 0.659) 15.552 1.343 ( -5.451 0.000 -2.100) 5.841 1.512 ( 0.600 0.000 1.685) 1.789 1.525 ( -2.704 0.000 -2.973) 4.018 1.591 ( 3.241 0.000 -3.352) 4.663 1.699 ( 0.419 0.000 0.063) 0.423 1.721 ( -4.707 0.000 3.588) 5.919 1.824 ( 1.227 0.000 -0.235) 1.249 1.961 ( -7.365 0.000 1.666) 7.551 2.036 ( 0.466 0.000 -0.589) 0.751 2.075 ( -6.393 0.000 2.700) 6.940 2.262 ( -2.526 0.000 0.691) 2.619 2.454 ( 3.026 0.000 5.503) 6.280 2.484 ( 5.029 0.000 2.914) 5.812 2.633 ( -0.049 0.000 -1.061) 1.062 2.652 ( -1.339 0.000 -0.717) 1.518 2.723 ( -1.834 0.000 2.408) 3.027 2.790 ( 3.261 0.000 -3.756) 4.974 2.827 ( 1.374 0.000 -2.658) 2.992 2.894 ( 0.530 0.000 -0.745) 0.914 2.938 ( 2.675 0.000 -2.642) 3.760 3.001 ( -2.111 0.000 0.132) 2.115 3.129 ( 0.287 0.000 0.730) 0.784 3.313 ( -0.161 0.000 -2.722) 2.727 3.468 ( 0.866 0.000 3.232) 3.346 3.487 ( -1.487 0.000 0.364) 1.531 3.589 ( -1.700 0.000 0.629) 1.813 3.708 ( -3.735 0.000 -1.976) 4.226 3.852 ( 0.814 0.000 -0.886) 1.203 3.865 ( 0.945 0.000 1.302) 1.609 3.999 ( -4.821 0.000 0.943) 4.913 4.188 ( -2.130 0.000 -1.126) 2.410 4.296 ( -1.220 0.000 -0.001) 1.220 4.300 ( -0.671 0.000 -1.275) 1.441 4.387 ( 2.579 0.000 0.733) 2.681 4.396 ( 2.495 0.000 1.097) 2.725 4.810 ( 1.016 0.000 2.141) 2.370 4.866 ( -1.496 0.000 -1.061) 1.834 4.960 ( 0.295 0.000 0.943) 0.988 5.015 ( -0.740 0.000 -1.288) 1.485 5.224 ( 0.637 0.000 0.416) 0.761 5.333 ( 1.214 0.000 -0.582) 1.346 6.459 ( -0.182 0.000 0.487) 0.520 6.476 ( -1.215 0.000 -0.820) 1.466 6.746 ( -2.729 0.000 1.400) 3.067 6.767 ( -0.917 0.000 0.154) 0.930 7.160 ( 10.212 0.000 -0.045) 10.212 7.264 ( 21.642 0.000 -12.177) 24.833 8.928 ( -6.713 0.000 3.326) 7.492 9.201 ( -10.944 0.000 -0.569) 10.959 13.088 ( 2.861 0.000 0.458) 2.898 13.101 ( 2.545 0.000 -0.249) 2.557 13.350 ( 2.027 0.000 0.402) 2.067 13.475 ( 3.441 0.000 -0.586) 3.490 13.558 ( -0.422 0.000 0.040) 0.424 13.570 ( -0.283 0.000 0.470) 0.548 13.827 ( 4.192 0.000 1.179) 4.355 13.994 ( 0.379 0.000 -0.092) 0.390 14.023 ( 8.487 0.000 -6.954) 10.972 14.051 ( 8.900 0.000 -2.630) 9.281 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( -3.327 0.000 -4.132) 5.305 0.658 ( 8.008 0.000 1.795) 8.207 0.899 ( 4.630 0.000 7.824) 9.091 0.993 ( 3.337 0.000 1.040) 3.496 1.038 ( 10.534 0.000 0.536) 10.548 1.203 ( -2.302 0.000 -3.105) 3.865 1.370 ( 1.344 0.000 -1.528) 2.035 1.462 ( 22.833 0.000 5.042) 23.383 1.534 ( 11.432 0.000 -3.167) 11.862 1.541 ( -0.845 0.000 3.552) 3.651 1.575 ( -1.213 0.000 -1.917) 2.269 1.725 ( 0.786 0.000 3.848) 3.927 1.731 ( 5.462 0.000 0.842) 5.527 1.864 ( 3.186 0.000 0.149) 3.190 1.865 ( -6.280 0.000 2.995) 6.957 2.021 ( -4.093 0.000 2.731) 4.921 2.046 ( 0.627 0.000 1.032) 1.208 2.244 ( -0.120 0.000 1.737) 1.741 2.536 ( -1.192 0.000 4.881) 5.025 2.572 ( 2.123 0.000 2.229) 3.078 2.614 ( -2.603 0.000 0.517) 2.654 2.625 ( 0.797 0.000 -1.602) 1.789 2.725 ( 0.702 0.000 -0.253) 0.746 2.813 ( 4.071 0.000 -3.537) 5.393 2.822 ( 1.350 0.000 -2.559) 2.893 2.907 ( 1.567 0.000 -0.979) 1.848 2.976 ( 4.023 0.000 -1.076) 4.164 2.977 ( 0.505 0.000 -0.030) 0.505 3.140 ( 0.354 0.000 0.654) 0.743 3.256 ( -3.288 0.000 -1.542) 3.631 3.471 ( 0.159 0.000 -1.025) 1.037 3.521 ( 0.265 0.000 3.124) 3.135 3.583 ( 0.005 0.000 0.426) 0.426 3.612 ( -4.853 0.000 -1.038) 4.962 3.862 ( 1.963 0.000 -1.769) 2.642 3.881 ( -0.635 0.000 0.780) 1.006 3.900 ( -8.214 0.000 1.401) 8.333 4.133 ( -3.107 0.000 -0.756) 3.197 4.256 ( -2.574 0.000 -1.403) 2.932 4.269 ( -1.810 0.000 0.090) 1.812 4.426 ( 1.370 0.000 -0.055) 1.372 4.467 ( 4.091 0.000 1.470) 4.347 4.825 ( -1.266 0.000 -1.399) 1.887 4.870 ( 3.064 0.000 2.182) 3.762 4.972 ( -0.508 0.000 1.646) 1.723 4.979 ( -1.362 0.000 -1.664) 2.150 5.244 ( 1.083 0.000 0.251) 1.112 5.348 ( 1.071 0.000 -0.428) 1.153 6.437 ( -2.097 0.000 -0.918) 2.289 6.446 ( -1.821 0.000 0.143) 1.827 6.720 ( -2.161 0.000 0.927) 2.351 6.737 ( -2.576 0.000 -0.153) 2.581 7.366 ( 12.457 0.000 0.354) 12.462 7.428 ( 13.112 0.000 -9.606) 16.254 8.809 ( -10.301 0.000 2.374) 10.571 8.971 ( -14.039 0.000 -0.880) 14.067 13.151 ( 3.285 0.000 0.883) 3.401 13.153 ( 3.556 0.000 -0.138) 3.559 13.407 ( 4.020 0.000 0.235) 4.027 13.545 ( -0.708 0.000 -0.610) 0.935 13.554 ( 4.251 0.000 -0.806) 4.327 13.576 ( 2.286 0.000 0.589) 2.361 13.923 ( 4.512 0.000 1.406) 4.726 14.004 ( 0.727 0.000 0.487) 0.875 14.075 ( 7.261 0.000 -6.615) 9.823 14.212 ( 11.851 0.000 -1.922) 12.006 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.194 ( -2.545 0.000 -5.914) 6.438 0.792 ( 8.073 0.000 -1.562) 8.223 1.003 ( 1.216 0.000 0.452) 1.298 1.048 ( 2.464 0.000 1.191) 2.737 1.136 ( 2.894 0.000 -2.450) 3.792 1.213 ( 6.688 0.000 -2.163) 7.029 1.328 ( -0.685 0.000 -1.944) 2.061 1.489 ( -4.460 0.000 -0.776) 4.527 1.538 ( -4.709 0.000 5.166) 6.990 1.618 ( 3.250 0.000 -2.052) 3.844 1.693 ( -4.874 0.000 1.080) 4.992 1.801 ( 3.115 0.000 3.519) 4.700 1.881 ( 5.554 0.000 1.110) 5.663 1.910 ( 1.227 0.000 -0.505) 1.327 1.947 ( 4.428 0.000 1.602) 4.709 2.022 ( 8.800 0.000 2.072) 9.041 2.104 ( 4.036 0.000 1.548) 4.323 2.340 ( 9.515 0.000 0.856) 9.554 2.525 ( -4.268 0.000 3.739) 5.674 2.577 ( -2.812 0.000 1.581) 3.226 2.614 ( 1.368 0.000 -0.355) 1.413 2.620 ( 0.906 0.000 -1.732) 1.954 2.752 ( 3.246 0.000 -0.453) 3.277 2.812 ( 0.255 0.000 -1.500) 1.521 2.841 ( 3.092 0.000 -3.063) 4.352 2.903 ( 0.672 0.000 -1.597) 1.733 3.047 ( 5.090 0.000 -0.304) 5.099 3.049 ( 5.961 0.000 0.816) 6.017 3.160 ( 1.015 0.000 0.864) 1.333 3.181 ( -3.875 0.000 -0.026) 3.875 3.466 ( -7.542 0.000 -0.122) 7.543 3.471 ( 1.312 0.000 -1.440) 1.948 3.589 ( 0.497 0.000 1.142) 1.245 3.589 ( 0.702 0.000 -0.973) 1.200 3.754 ( -10.930 0.000 2.620) 11.240 3.862 ( -2.498 0.000 0.789) 2.619 3.875 ( 1.762 0.000 -1.648) 2.413 4.067 ( -3.621 0.000 -0.423) 3.645 4.194 ( -2.554 0.000 -0.938) 2.720 4.242 ( -1.242 0.000 -0.223) 1.262 4.439 ( 0.106 0.000 0.450) 0.462 4.562 ( 4.612 0.000 1.794) 4.949 4.783 ( -2.354 0.000 -1.732) 2.922 4.932 ( 0.545 0.000 0.941) 1.088 4.956 ( 1.491 0.000 -1.224) 1.930 5.000 ( 2.741 0.000 1.557) 3.153 5.261 ( 0.536 0.000 0.122) 0.550 5.357 ( 0.552 0.000 -0.459) 0.718 6.389 ( -2.284 0.000 -0.493) 2.337 6.404 ( -2.908 0.000 0.012) 2.908 6.681 ( -3.162 0.000 -0.539) 3.207 6.690 ( -1.975 0.000 0.212) 1.986 7.527 ( 8.205 0.000 -4.325) 9.275 7.563 ( 8.709 0.000 1.553) 8.847 8.657 ( -8.835 0.000 0.726) 8.865 8.736 ( -10.977 0.000 -1.540) 11.084 13.210 ( 2.783 0.000 0.177) 2.789 13.211 ( 2.288 0.000 0.989) 2.492 13.481 ( 3.809 0.000 0.447) 3.835 13.526 ( -0.293 0.000 -0.741) 0.796 13.563 ( -0.190 0.000 0.221) 0.292 13.678 ( 6.328 0.000 -0.376) 6.339 13.987 ( 2.022 0.000 0.146) 2.027 14.025 ( 0.837 0.000 0.484) 0.967 14.142 ( 7.050 0.000 -3.612) 7.921 14.380 ( 9.462 0.000 -1.721) 9.617 ======================= Grid point 49 (20/96) ======================= q-point: (-0.56 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.159 ( 3.809 0.000 -0.533) 3.846 0.910 ( 6.779 0.000 -0.392) 6.790 0.982 ( -0.787 0.000 -3.083) 3.182 1.104 ( 3.468 0.000 0.523) 3.507 1.178 ( 4.441 0.000 -2.800) 5.250 1.264 ( 4.676 0.000 -5.896) 7.525 1.310 ( -1.569 0.000 0.419) 1.624 1.407 ( -5.830 0.000 1.395) 5.994 1.496 ( -5.306 0.000 2.764) 5.983 1.603 ( -4.387 0.000 1.248) 4.561 1.655 ( 3.890 0.000 -1.651) 4.225 1.866 ( -0.352 0.000 2.082) 2.111 1.895 ( -0.698 0.000 -1.628) 1.771 1.928 ( 0.128 0.000 -0.398) 0.418 1.929 ( -1.866 0.000 0.243) 1.882 2.191 ( 5.300 0.000 -0.210) 5.305 2.215 ( 5.677 0.000 -0.001) 5.677 2.366 ( -8.474 0.000 2.703) 8.895 2.556 ( -1.768 0.000 1.764) 2.497 2.604 ( 5.148 0.000 -1.261) 5.300 2.618 ( 0.887 0.000 -2.034) 2.219 2.629 ( 3.325 0.000 0.009) 3.325 2.804 ( -0.222 0.000 0.122) 0.253 2.815 ( 3.864 0.000 -0.705) 3.928 2.834 ( 0.075 0.000 -1.383) 1.385 2.927 ( 4.700 0.000 -2.849) 5.496 3.092 ( -2.479 0.000 0.130) 2.482 3.116 ( 2.905 0.000 -1.880) 3.460 3.201 ( 5.169 0.000 1.759) 5.460 3.207 ( 2.141 0.000 2.320) 3.157 3.319 ( -8.306 0.000 -0.014) 8.306 3.449 ( -2.268 0.000 -3.204) 3.926 3.569 ( -0.304 0.000 -0.105) 0.322 3.591 ( -0.634 0.000 -0.833) 1.047 3.659 ( -3.163 0.000 4.127) 5.200 3.821 ( -2.968 0.000 0.892) 3.099 3.890 ( 1.678 0.000 -0.776) 1.848 4.017 ( -1.465 0.000 0.142) 1.472 4.160 ( -0.513 0.000 -0.194) 0.548 4.221 ( -0.518 0.000 -0.895) 1.034 4.447 ( -0.171 0.000 1.283) 1.294 4.652 ( 2.259 0.000 0.870) 2.420 4.711 ( -1.955 0.000 -0.702) 2.077 4.922 ( -1.301 0.000 -0.204) 1.317 4.994 ( 2.651 0.000 -0.316) 2.670 5.061 ( 1.585 0.000 0.098) 1.588 5.265 ( 0.011 0.000 0.097) 0.098 5.356 ( 0.145 0.000 -0.659) 0.675 6.358 ( -0.968 0.000 0.258) 1.002 6.362 ( -1.614 0.000 0.236) 1.631 6.635 ( -1.058 0.000 -0.526) 1.181 6.663 ( -0.917 0.000 -0.353) 0.982 7.622 ( 5.114 0.000 1.013) 5.213 7.682 ( 2.296 0.000 2.484) 3.382 8.545 ( -3.720 0.000 -0.802) 3.806 8.588 ( -3.524 0.000 -1.827) 3.969 13.244 ( 0.275 0.000 0.748) 0.797 13.246 ( 0.927 0.000 0.511) 1.059 13.513 ( -0.145 0.000 0.474) 0.496 13.546 ( 2.119 0.000 0.199) 2.129 13.561 ( -0.324 0.000 0.147) 0.356 13.754 ( 2.786 0.000 -0.715) 2.876 14.014 ( 0.904 0.000 0.513) 1.040 14.035 ( -0.117 0.000 -0.058) 0.131 14.211 ( 4.303 0.000 -1.869) 4.691 14.476 ( 4.033 0.000 -2.361) 4.674 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 4.682 0.000 4.275) 6.340 0.927 ( -2.199 0.000 -2.278) 3.167 0.979 ( -0.296 0.000 0.312) 0.430 1.177 ( 0.434 0.000 1.808) 1.859 1.183 ( -2.436 0.000 -0.978) 2.625 1.247 ( -0.292 0.000 -6.197) 6.204 1.268 ( 0.282 0.000 -1.629) 1.654 1.313 ( -0.763 0.000 -3.520) 3.602 1.474 ( 1.984 0.000 2.086) 2.879 1.607 ( 1.758 0.000 1.959) 2.632 1.709 ( 2.566 0.000 0.448) 2.605 1.810 ( -4.949 0.000 -1.708) 5.235 1.870 ( 0.711 0.000 -3.000) 3.083 1.900 ( -1.043 0.000 -1.359) 1.713 1.931 ( -0.421 0.000 1.499) 1.557 2.190 ( -8.489 0.000 -0.438) 8.500 2.205 ( -8.682 0.000 1.334) 8.784 2.295 ( 3.893 0.000 -1.200) 4.074 2.548 ( -9.411 0.000 -2.966) 9.868 2.553 ( -1.051 0.000 1.745) 2.037 2.595 ( -0.924 0.000 -2.740) 2.892 2.643 ( -0.175 0.000 -0.609) 0.633 2.798 ( -0.621 0.000 -0.486) 0.789 2.844 ( 0.216 0.000 0.333) 0.397 2.854 ( 1.649 0.000 0.295) 1.675 2.968 ( 2.353 0.000 -1.982) 3.076 3.067 ( 0.868 0.000 -0.354) 0.937 3.107 ( -0.109 0.000 -2.223) 2.226 3.168 ( -6.135 0.000 1.053) 6.224 3.194 ( -5.507 0.000 2.141) 5.909 3.359 ( 7.427 0.000 1.531) 7.583 3.442 ( 5.815 0.000 -3.181) 6.628 3.551 ( -1.498 0.000 -2.518) 2.930 3.617 ( 3.063 0.000 2.801) 4.151 3.678 ( -0.851 0.000 3.808) 3.902 3.796 ( 0.174 0.000 -0.308) 0.354 3.913 ( 1.236 0.000 0.264) 1.264 4.029 ( 2.360 0.000 0.327) 2.383 4.173 ( 1.920 0.000 0.280) 1.941 4.204 ( 0.322 0.000 -1.631) 1.663 4.464 ( -0.031 0.000 2.000) 2.000 4.594 ( -4.159 0.000 -1.310) 4.360 4.780 ( 4.330 0.000 2.069) 4.799 4.895 ( -0.533 0.000 -1.544) 1.633 5.007 ( -1.133 0.000 0.323) 1.178 5.028 ( -4.362 0.000 -1.346) 4.565 5.268 ( 0.041 0.000 0.263) 0.266 5.351 ( 0.361 0.000 -0.877) 0.948 6.365 ( 1.464 0.000 0.392) 1.515 6.369 ( 1.598 0.000 0.610) 1.711 6.640 ( 1.967 0.000 -0.235) 1.981 6.652 ( 0.395 0.000 -0.905) 0.987 7.692 ( -4.419 0.000 2.413) 5.035 7.725 ( 2.789 0.000 5.363) 6.044 8.519 ( 2.510 0.000 -1.835) 3.109 8.582 ( 5.145 0.000 -2.033) 5.533 13.235 ( -1.975 0.000 0.343) 2.005 13.250 ( -1.359 0.000 0.756) 1.555 13.518 ( -0.498 0.000 0.737) 0.889 13.557 ( -0.189 0.000 -0.117) 0.222 13.566 ( -0.277 0.000 0.981) 1.019 13.753 ( -1.773 0.000 -0.830) 1.958 14.019 ( -1.153 0.000 -0.766) 1.385 14.020 ( -1.161 0.000 0.159) 1.172 14.254 ( 1.988 0.000 0.853) 2.163 14.462 ( -1.864 0.000 -3.125) 3.638 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 3.962 0.000 6.153) 7.318 0.832 ( -6.463 0.000 -2.831) 7.056 0.885 ( -11.699 0.000 -0.786) 11.726 1.020 ( -4.420 0.000 -9.252) 10.254 1.065 ( -8.866 0.000 -2.534) 9.221 1.173 ( -0.833 0.000 -3.040) 3.152 1.368 ( 6.715 0.000 1.954) 6.993 1.391 ( 7.776 0.000 1.066) 7.849 1.569 ( 4.896 0.000 1.366) 5.083 1.659 ( -0.753 0.000 -1.343) 1.540 1.704 ( -1.697 0.000 0.052) 1.698 1.724 ( -3.417 0.000 1.457) 3.714 1.830 ( -2.594 0.000 -0.426) 2.629 1.893 ( -20.755 0.000 2.107) 20.862 1.906 ( 3.885 0.000 -2.380) 4.556 1.949 ( -3.662 0.000 -0.200) 3.668 2.065 ( -10.103 0.000 2.329) 10.367 2.260 ( -9.748 0.000 -2.961) 10.188 2.361 ( 0.686 0.000 -4.480) 4.532 2.523 ( -2.264 0.000 -3.440) 4.118 2.559 ( -0.268 0.000 1.098) 1.130 2.637 ( 0.470 0.000 -1.238) 1.324 2.785 ( -0.152 0.000 0.022) 0.153 2.857 ( 0.416 0.000 0.797) 0.899 2.872 ( 0.008 0.000 0.760) 0.760 2.967 ( -0.997 0.000 0.704) 1.220 3.074 ( -2.502 0.000 0.482) 2.548 3.087 ( 0.412 0.000 -2.489) 2.523 3.130 ( -4.874 0.000 2.420) 5.442 3.139 ( 3.862 0.000 -0.842) 3.953 3.459 ( -0.215 0.000 -1.352) 1.369 3.492 ( 2.022 0.000 -0.210) 2.033 3.534 ( 5.684 0.000 -0.455) 5.702 3.655 ( -2.334 0.000 2.428) 3.367 3.761 ( 5.947 0.000 2.608) 6.494 3.818 ( 2.727 0.000 -1.135) 2.953 3.929 ( -0.245 0.000 0.662) 0.706 4.087 ( 3.896 0.000 -0.301) 3.908 4.205 ( 2.139 0.000 -1.446) 2.582 4.228 ( 3.733 0.000 0.365) 3.751 4.483 ( -1.106 0.000 2.382) 2.627 4.514 ( -4.143 0.000 -0.334) 4.157 4.857 ( 1.599 0.000 1.973) 2.540 4.872 ( 0.028 0.000 -2.156) 2.156 4.914 ( -5.282 0.000 -2.193) 5.719 4.991 ( -0.230 0.000 0.535) 0.582 5.266 ( -0.827 0.000 0.406) 0.921 5.347 ( 0.265 0.000 -0.916) 0.953 6.407 ( 2.390 0.000 0.212) 2.399 6.414 ( 2.655 0.000 0.415) 2.688 6.655 ( 1.399 0.000 -1.291) 1.904 6.684 ( 3.124 0.000 -0.262) 3.135 7.586 ( -10.329 0.000 1.439) 10.429 7.837 ( 1.317 0.000 8.470) 8.572 8.587 ( 7.679 0.000 -2.046) 7.947 8.699 ( 11.087 0.000 -3.168) 11.531 13.189 ( -3.439 0.000 -0.049) 3.439 13.218 ( -3.276 0.000 0.799) 3.372 13.492 ( -3.552 0.000 0.752) 3.631 13.554 ( 0.161 0.000 -0.249) 0.296 13.575 ( -0.226 0.000 1.478) 1.496 13.683 ( -5.026 0.000 -0.594) 5.061 13.968 ( -4.162 0.000 -0.976) 4.275 13.985 ( -1.174 0.000 -1.378) 1.810 14.315 ( 1.686 0.000 4.599) 4.899 14.355 ( -5.998 0.000 -3.194) 6.796 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.440 0.000 7.244) 7.258 0.579 ( -17.296 0.000 -5.602) 18.180 0.637 ( -10.010 0.000 -4.526) 10.986 0.870 ( -2.432 0.000 -8.818) 9.147 0.880 ( -8.242 0.000 -2.499) 8.612 1.185 ( 5.002 0.000 -2.510) 5.596 1.347 ( -30.272 0.000 4.268) 30.572 1.455 ( -4.949 0.000 3.013) 5.795 1.564 ( -0.086 0.000 3.889) 3.890 1.584 ( -1.748 0.000 -4.104) 4.461 1.601 ( -8.286 0.000 0.291) 8.291 1.659 ( 2.294 0.000 1.621) 2.809 1.748 ( 0.788 0.000 0.636) 1.012 1.754 ( -6.254 0.000 1.462) 6.423 1.900 ( -7.434 0.000 1.625) 7.609 1.974 ( 3.157 0.000 2.431) 3.985 1.987 ( 7.018 0.000 -1.617) 7.202 2.189 ( 2.478 0.000 -0.575) 2.544 2.314 ( -0.456 0.000 -4.966) 4.987 2.447 ( -2.187 0.000 -3.643) 4.249 2.579 ( 1.377 0.000 0.848) 1.617 2.634 ( 0.673 0.000 -1.018) 1.221 2.782 ( -1.050 0.000 0.669) 1.245 2.866 ( -0.640 0.000 0.919) 1.120 2.873 ( -0.394 0.000 -0.292) 0.490 2.950 ( -2.400 0.000 1.087) 2.635 3.031 ( -2.617 0.000 -3.611) 4.460 3.039 ( -2.722 0.000 2.524) 3.712 3.101 ( -1.606 0.000 1.503) 2.200 3.223 ( 7.593 0.000 -2.979) 8.156 3.405 ( -1.913 0.000 -2.007) 2.772 3.520 ( 0.401 0.000 2.067) 2.106 3.640 ( -2.501 0.000 2.780) 3.740 3.655 ( 6.697 0.000 0.426) 6.711 3.820 ( 1.044 0.000 -1.783) 2.066 3.908 ( 5.968 0.000 1.784) 6.229 3.916 ( -1.985 0.000 0.473) 2.041 4.145 ( 3.673 0.000 -0.925) 3.788 4.245 ( 3.491 0.000 -0.470) 3.523 4.294 ( 3.228 0.000 0.112) 3.230 4.446 ( -3.920 0.000 0.833) 4.007 4.459 ( -4.614 0.000 1.510) 4.855 4.809 ( -3.270 0.000 -0.303) 3.284 4.877 ( 2.629 0.000 -3.059) 4.033 4.886 ( 0.183 0.000 1.429) 1.441 5.015 ( 1.640 0.000 0.393) 1.687 5.251 ( -1.547 0.000 0.597) 1.658 5.339 ( 0.019 0.000 -0.853) 0.853 6.437 ( 1.016 0.000 -0.243) 1.045 6.459 ( 2.179 0.000 0.027) 2.179 6.674 ( 2.158 0.000 -0.681) 2.263 6.729 ( 2.414 0.000 -0.378) 2.444 7.383 ( -13.747 0.000 0.075) 13.747 7.966 ( 1.976 0.000 9.225) 9.434 8.721 ( 9.526 0.000 -1.065) 9.585 8.847 ( 11.028 0.000 -6.180) 12.642 13.125 ( -3.541 0.000 -0.302) 3.554 13.162 ( -3.976 0.000 0.599) 4.021 13.426 ( -4.740 0.000 0.836) 4.813 13.553 ( -0.446 0.000 -0.404) 0.602 13.582 ( -0.961 0.000 1.229) 1.560 13.590 ( -4.525 0.000 0.161) 4.528 13.874 ( -5.061 0.000 -0.859) 5.134 13.955 ( 0.027 0.000 -2.031) 2.031 14.207 ( -6.953 0.000 -2.330) 7.334 14.412 ( 2.319 0.000 6.012) 6.444 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( -13.374 0.000 2.244) 13.561 0.346 ( -17.148 0.000 2.244) 17.294 0.630 ( 1.703 0.000 2.320) 2.878 0.746 ( -0.843 0.000 -6.258) 6.315 0.775 ( -3.710 0.000 3.339) 4.991 0.782 ( -39.284 0.000 9.745) 40.475 1.191 ( -19.832 0.000 2.523) 19.992 1.299 ( 8.353 0.000 -2.235) 8.647 1.509 ( -0.528 0.000 -0.526) 0.746 1.607 ( 1.951 0.000 1.057) 2.219 1.662 ( -0.254 0.000 -2.005) 2.021 1.686 ( -2.296 0.000 -0.451) 2.340 1.686 ( 1.315 0.000 5.027) 5.197 1.766 ( 1.987 0.000 7.143) 7.414 1.840 ( -2.201 0.000 0.774) 2.333 2.072 ( 3.261 0.000 -1.939) 3.794 2.103 ( 5.605 0.000 4.330) 7.083 2.223 ( 3.109 0.000 -2.558) 4.026 2.292 ( 0.836 0.000 2.097) 2.258 2.362 ( -3.282 0.000 -2.391) 4.061 2.627 ( 3.132 0.000 0.893) 3.257 2.638 ( 1.034 0.000 -0.732) 1.267 2.759 ( -2.302 0.000 0.797) 2.437 2.843 ( -1.574 0.000 -2.017) 2.558 2.853 ( -1.874 0.000 0.224) 1.887 2.919 ( -1.809 0.000 0.492) 1.875 2.939 ( -2.686 0.000 -3.648) 4.530 3.034 ( -1.386 0.000 2.077) 2.497 3.091 ( -0.610 0.000 -0.061) 0.613 3.310 ( 5.971 0.000 -4.014) 7.195 3.373 ( 0.257 0.000 0.229) 0.344 3.558 ( 0.705 0.000 2.501) 2.598 3.637 ( -1.008 0.000 2.660) 2.845 3.751 ( 4.180 0.000 -0.696) 4.237 3.812 ( 0.148 0.000 -0.452) 0.476 3.882 ( -2.329 0.000 0.674) 2.425 4.008 ( 3.216 0.000 1.640) 3.610 4.194 ( 3.427 0.000 -1.121) 3.606 4.298 ( 2.722 0.000 -0.111) 2.724 4.334 ( 1.666 0.000 -0.158) 1.674 4.376 ( -5.560 0.000 0.758) 5.611 4.400 ( -2.930 0.000 0.501) 2.972 4.779 ( -0.997 0.000 0.790) 1.272 4.900 ( -0.073 0.000 0.033) 0.080 4.902 ( 3.306 0.000 -1.831) 3.779 5.038 ( 0.576 0.000 0.147) 0.594 5.230 ( -1.586 0.000 0.718) 1.741 5.330 ( 0.045 0.000 -0.974) 0.975 6.442 ( 0.300 0.000 -0.288) 0.415 6.487 ( 1.269 0.000 -0.295) 1.303 6.709 ( 1.901 0.000 0.824) 2.072 6.756 ( 1.193 0.000 -0.195) 1.209 7.160 ( -10.502 0.000 -0.545) 10.516 7.962 ( -10.860 0.000 -24.554) 26.849 8.865 ( 6.738 0.000 0.907) 6.799 8.956 ( 9.909 0.000 4.919) 11.063 13.071 ( -2.104 0.000 -0.240) 2.117 13.106 ( -2.824 0.000 0.260) 2.836 13.363 ( -3.463 0.000 0.803) 3.555 13.512 ( -1.874 0.000 -0.017) 1.874 13.567 ( -0.298 0.000 0.411) 0.508 13.571 ( -1.309 0.000 0.720) 1.494 13.794 ( -3.059 0.000 -0.344) 3.078 13.941 ( 1.623 0.000 -2.833) 3.265 14.085 ( -4.786 0.000 -1.062) 4.903 14.456 ( -2.900 0.000 -10.479) 10.873 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.222 ( 13.188 7.150 5.184) 15.872 0.445 ( -12.988 6.232 10.400) 17.768 0.551 ( 3.172 6.341 12.010) 13.947 0.631 ( -0.334 0.144 1.844) 1.880 0.763 ( -2.195 -2.190 6.595) 7.287 0.905 ( 0.671 -3.243 3.440) 4.775 0.915 ( -0.314 8.553 0.982) 8.615 1.414 ( 1.314 0.840 -2.013) 2.547 1.486 ( -0.292 -2.844 0.410) 2.888 1.521 ( 0.382 -6.179 -2.434) 6.652 1.609 ( -2.857 0.965 -2.252) 3.764 1.692 ( 1.070 1.442 0.741) 1.943 1.754 ( -0.320 -0.611 3.336) 3.407 1.798 ( -0.314 -1.814 0.917) 2.057 1.857 ( 0.924 -7.666 5.741) 9.622 2.024 ( -0.281 -3.996 1.062) 4.144 2.170 ( -2.527 2.593 0.984) 3.752 2.279 ( 0.832 1.217 -0.508) 1.559 2.337 ( 2.548 -0.856 2.170) 3.454 2.390 ( -0.580 0.044 2.752) 2.812 2.538 ( 0.812 -1.612 0.618) 1.907 2.722 ( 0.705 -4.583 -2.444) 5.242 2.759 ( 2.108 5.265 0.190) 5.674 2.830 ( -2.161 4.346 1.324) 5.031 2.871 ( 0.039 0.096 -3.692) 3.694 2.875 ( 0.477 2.145 -2.725) 3.501 2.987 ( 0.975 0.239 -3.346) 3.493 3.065 ( 0.882 -0.666 -0.161) 1.117 3.085 ( 1.431 0.749 -0.259) 1.636 3.245 ( -1.449 -8.327 0.986) 8.510 3.407 ( 1.476 3.516 -0.939) 3.927 3.537 ( -1.291 -1.457 -0.668) 2.058 3.675 ( 0.101 4.106 1.957) 4.550 3.792 ( 0.892 0.308 -0.957) 1.344 3.822 ( 0.004 0.555 0.674) 0.873 3.909 ( -0.821 -0.143 -3.900) 3.988 4.100 ( -1.600 4.332 -0.703) 4.671 4.207 ( 0.764 -1.486 -1.584) 2.302 4.307 ( -0.939 0.079 0.132) 0.952 4.321 ( -2.835 -0.129 0.128) 2.841 4.350 ( 0.976 0.789 0.535) 1.364 4.361 ( 0.695 0.291 0.404) 0.855 4.807 ( -0.267 1.570 0.779) 1.773 4.869 ( -0.351 -1.320 0.415) 1.428 4.954 ( 1.346 1.441 -0.473) 2.027 5.020 ( -0.021 -1.365 -0.636) 1.506 5.253 ( -0.027 2.224 -1.048) 2.459 5.312 ( 0.618 -0.896 -0.657) 1.271 6.455 ( 0.473 0.629 0.151) 0.801 6.487 ( 0.103 -0.651 -0.433) 0.789 6.761 ( 0.971 -1.162 1.542) 2.161 6.764 ( 0.361 -0.411 0.282) 0.615 7.040 ( -5.403 0.176 0.222) 5.410 7.058 ( -0.113 -0.431 -0.127) 0.463 8.968 ( 0.431 1.711 2.755) 3.272 9.122 ( 3.536 -8.220 6.166) 10.867 13.060 ( 0.440 0.563 -0.056) 0.716 13.081 ( -0.426 -0.192 0.057) 0.471 13.423 ( 1.424 3.557 -3.476) 5.173 13.486 ( -1.772 0.109 -2.603) 3.151 13.566 ( -0.431 0.376 0.403) 0.700 13.569 ( -0.415 0.187 0.520) 0.692 13.797 ( 1.435 2.551 -0.389) 2.953 13.923 ( 1.789 -2.785 -2.336) 4.052 13.999 ( -2.205 0.731 -1.339) 2.681 14.023 ( -2.770 -0.229 -0.881) 2.916 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 6.741 7.062 2.296) 10.029 0.514 ( 4.268 5.492 9.065) 11.426 0.675 ( 5.345 -2.034 5.547) 7.967 0.814 ( 7.255 -2.662 3.004) 8.291 0.867 ( 8.994 0.331 5.138) 10.363 1.015 ( 12.023 -0.976 2.426) 12.304 1.091 ( 12.208 2.370 4.327) 13.167 1.375 ( 0.506 -0.430 -3.998) 4.053 1.501 ( 0.503 -1.666 2.039) 2.681 1.528 ( 1.523 -3.828 -1.314) 4.324 1.535 ( -1.679 1.556 -1.918) 2.987 1.713 ( 0.077 1.743 1.059) 2.041 1.759 ( -2.229 -4.362 -0.921) 4.984 1.784 ( -1.624 2.830 3.803) 5.011 1.886 ( -2.332 -4.786 2.741) 5.988 2.029 ( -0.349 -1.746 1.506) 2.332 2.115 ( -4.686 4.206 2.075) 6.630 2.282 ( -1.307 2.181 0.724) 2.644 2.401 ( 0.437 -4.124 3.791) 5.619 2.417 ( 2.011 -7.073 0.908) 7.409 2.586 ( 2.834 2.252 1.583) 3.951 2.728 ( 2.430 -3.182 -1.914) 4.437 2.776 ( -3.645 4.909 3.075) 6.844 2.796 ( 2.222 6.300 -4.049) 7.812 2.855 ( 2.529 0.840 -4.070) 4.865 2.889 ( 2.766 0.076 -0.656) 2.844 2.944 ( -0.812 -0.330 -1.825) 2.024 3.051 ( -2.439 3.952 0.750) 4.704 3.098 ( 0.982 -3.925 -0.397) 4.065 3.226 ( -2.106 -6.475 0.318) 6.817 3.441 ( 2.495 0.887 0.380) 2.675 3.507 ( -0.504 -1.040 -1.344) 1.772 3.673 ( -3.081 6.206 2.009) 7.214 3.739 ( -3.786 2.695 -1.920) 5.028 3.830 ( -1.430 -2.126 -0.341) 2.585 3.851 ( 0.138 -1.607 0.009) 1.612 4.046 ( -3.670 4.122 0.147) 5.521 4.173 ( -2.159 -1.564 -1.096) 2.882 4.291 ( -1.052 -0.060 -0.188) 1.070 4.303 ( -0.402 -0.093 -0.843) 0.938 4.396 ( 2.718 0.660 0.361) 2.820 4.401 ( 2.679 0.372 0.833) 2.830 4.822 ( 0.658 1.066 1.683) 2.098 4.859 ( -0.951 -0.616 -0.380) 1.195 4.963 ( -0.171 0.417 0.532) 0.697 5.004 ( -0.765 -1.060 -1.038) 1.670 5.247 ( 0.404 2.026 -0.064) 2.066 5.321 ( 1.034 -1.210 -0.536) 1.679 6.462 ( -0.295 0.237 0.303) 0.484 6.473 ( -1.042 -0.227 -0.622) 1.235 6.749 ( -2.175 0.281 1.130) 2.467 6.764 ( -1.009 -0.288 0.293) 1.090 7.159 ( 10.938 0.017 -0.557) 10.952 7.219 ( 18.771 -3.380 -7.459) 20.479 8.949 ( -6.637 2.084 3.257) 7.681 9.119 ( -8.368 -6.322 2.154) 10.706 13.091 ( 2.817 0.307 0.301) 2.850 13.101 ( 2.572 -0.024 -0.132) 2.575 13.401 ( 1.039 3.688 -1.532) 4.127 13.471 ( 2.970 -0.389 -0.903) 3.128 13.563 ( -0.354 0.436 0.171) 0.587 13.572 ( -0.174 0.123 0.465) 0.511 13.843 ( 3.522 1.692 0.860) 4.001 13.954 ( 2.827 -3.234 -1.496) 4.548 14.026 ( 5.313 0.314 -3.299) 6.262 14.049 ( 8.297 -0.423 -3.117) 8.873 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -2.637 11.847 -2.640) 12.421 0.686 ( 6.632 2.363 1.791) 7.265 0.886 ( 7.032 -2.528 6.035) 9.605 0.918 ( 5.824 -4.990 -0.575) 7.690 1.026 ( 4.301 -0.742 2.731) 5.149 1.178 ( 1.114 -2.903 -0.620) 3.171 1.394 ( 14.531 1.805 -0.299) 14.646 1.432 ( 5.455 -0.403 -0.564) 5.499 1.518 ( 0.790 -3.404 -1.427) 3.774 1.553 ( 1.546 0.143 2.403) 2.861 1.567 ( 9.189 0.575 0.339) 9.214 1.737 ( 1.677 -1.576 2.707) 3.553 1.756 ( 2.512 2.772 1.951) 4.219 1.787 ( -0.105 -2.737 1.568) 3.156 1.881 ( -0.516 0.951 2.429) 2.659 2.028 ( -2.857 -2.077 1.965) 4.042 2.097 ( 0.645 6.314 2.216) 6.723 2.266 ( -0.670 2.098 1.589) 2.716 2.449 ( -0.328 -5.721 3.152) 6.540 2.457 ( 3.051 -8.420 -0.729) 8.985 2.643 ( 0.661 3.862 2.184) 4.486 2.714 ( -2.592 3.835 0.510) 4.657 2.775 ( 1.244 -0.623 0.607) 1.518 2.804 ( 3.292 5.084 -3.658) 7.075 2.844 ( 1.498 0.113 -4.013) 4.285 2.932 ( 3.749 1.685 -0.840) 4.196 2.963 ( 3.531 -1.384 -0.105) 3.794 3.014 ( -2.314 3.823 0.701) 4.523 3.110 ( 1.418 -3.861 -1.053) 4.246 3.182 ( -3.389 -5.121 0.645) 6.175 3.472 ( 0.904 0.093 -1.134) 1.454 3.508 ( 1.685 -1.486 0.300) 2.266 3.616 ( -5.321 3.354 0.174) 6.292 3.661 ( -3.497 3.460 0.322) 4.930 3.796 ( -2.337 -3.147 -0.310) 3.932 3.856 ( -1.052 -2.475 0.905) 2.838 3.982 ( -3.594 4.866 -0.217) 6.053 4.118 ( -3.040 -1.620 -0.800) 3.537 4.258 ( -2.257 0.327 -0.909) 2.455 4.271 ( -1.927 0.077 -0.494) 1.990 4.440 ( 2.033 1.212 -0.088) 2.369 4.469 ( 4.017 0.068 1.092) 4.164 4.834 ( -0.717 0.886 -0.753) 1.366 4.870 ( 2.350 -0.151 1.520) 2.803 4.964 ( -0.657 -0.559 1.216) 1.491 4.972 ( -1.222 -0.624 -1.193) 1.818 5.261 ( 0.967 1.628 0.082) 1.895 5.334 ( 1.012 -1.345 -0.371) 1.724 6.439 ( -2.024 0.199 -0.743) 2.165 6.446 ( -1.815 -0.065 0.018) 1.817 6.722 ( -2.251 0.249 0.721) 2.377 6.735 ( -2.557 -0.228 -0.028) 2.567 7.364 ( 12.607 -0.021 -0.567) 12.619 7.406 ( 13.182 -1.903 -7.319) 15.197 8.827 ( -10.413 1.768 2.075) 10.764 8.938 ( -12.826 -2.953 -0.001) 13.162 13.151 ( 3.311 0.109 0.469) 3.346 13.156 ( 3.429 0.084 0.238) 3.439 13.439 ( 4.056 2.871 -0.260) 4.976 13.539 ( 4.033 -1.240 -0.784) 4.292 13.557 ( 0.482 0.668 -0.556) 0.994 13.575 ( 0.837 -0.052 0.442) 0.948 13.921 ( 3.601 0.011 1.059) 3.754 13.978 ( 1.742 -2.322 -0.665) 2.978 14.096 ( 7.614 2.046 -4.149) 8.909 14.193 ( 11.128 -1.863 -2.106) 11.478 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( -1.259 14.114 -3.732) 14.654 0.785 ( 6.053 -2.013 -2.198) 6.747 0.989 ( 5.877 -4.018 -2.864) 7.674 1.016 ( 2.291 -0.962 0.481) 2.531 1.104 ( 2.564 -0.346 2.456) 3.568 1.193 ( 3.718 -0.404 -2.560) 4.532 1.418 ( 1.226 4.964 -1.314) 5.280 1.462 ( -3.974 -1.724 -0.780) 4.402 1.551 ( 1.444 -3.768 -0.290) 4.046 1.571 ( -3.898 2.902 4.560) 6.665 1.663 ( -2.146 -3.973 0.636) 4.560 1.771 ( 2.148 -5.689 1.639) 6.298 1.858 ( 1.507 2.854 2.964) 4.382 1.917 ( 5.010 1.635 1.290) 5.425 1.976 ( 7.650 -1.058 0.360) 7.731 1.995 ( -1.750 -1.888 2.329) 3.471 2.176 ( 7.154 6.415 -0.173) 9.611 2.351 ( 9.527 0.876 1.024) 9.621 2.473 ( 0.840 -3.882 1.655) 4.303 2.500 ( 2.858 -5.635 -0.753) 6.363 2.645 ( -2.664 4.598 2.285) 5.784 2.696 ( -0.309 3.187 0.362) 3.222 2.797 ( 0.465 0.335 0.695) 0.901 2.807 ( 1.865 2.869 -3.545) 4.927 2.848 ( 3.971 0.032 -3.484) 5.283 2.947 ( -1.060 4.472 -0.609) 4.636 3.029 ( 2.881 -2.519 0.355) 3.843 3.050 ( 5.584 0.244 0.621) 5.623 3.122 ( 0.874 -3.707 -0.559) 3.849 3.145 ( -0.911 -2.237 1.543) 2.866 3.452 ( -3.746 -0.075 -0.667) 3.806 3.520 ( -2.264 2.420 -0.832) 3.417 3.540 ( -0.291 -2.724 -0.179) 2.745 3.607 ( -2.792 0.191 -1.284) 3.079 3.738 ( -5.201 0.038 2.502) 5.771 3.834 ( -2.744 -2.610 1.152) 3.958 3.930 ( -1.434 4.121 -0.913) 4.458 4.053 ( -3.515 -1.498 -0.427) 3.845 4.203 ( -2.447 0.832 -0.850) 2.721 4.237 ( -1.520 -0.505 -0.296) 1.629 4.464 ( 0.859 2.374 0.241) 2.536 4.554 ( 4.142 -1.027 1.165) 4.423 4.804 ( -2.146 2.107 -1.066) 3.191 4.911 ( -0.047 -2.008 0.489) 2.067 4.961 ( 1.954 0.451 -0.689) 2.120 4.991 ( 2.876 -0.830 1.182) 3.218 5.275 ( 0.519 1.417 0.015) 1.509 5.344 ( 0.539 -1.320 -0.393) 1.479 6.393 ( -2.366 0.332 -0.408) 2.424 6.404 ( -2.811 -0.074 -0.035) 2.812 6.681 ( -2.996 0.066 -0.437) 3.029 6.688 ( -2.178 -0.187 0.088) 2.188 7.525 ( 8.317 -0.033 -3.245) 8.928 7.552 ( 8.646 -1.008 0.845) 8.746 8.668 ( -8.926 1.138 0.403) 9.007 8.724 ( -10.421 -1.137 -1.167) 10.548 13.208 ( 2.499 0.003 0.527) 2.554 13.213 ( 2.388 -0.013 0.713) 2.492 13.511 ( 3.212 2.476 0.338) 4.070 13.539 ( 0.614 1.386 -0.691) 1.666 13.561 ( -0.202 -0.180 -0.011) 0.271 13.658 ( 5.937 -2.119 -0.440) 6.319 13.977 ( 2.055 -0.704 0.408) 2.210 14.000 ( 1.373 -1.855 -0.250) 2.321 14.188 ( 7.038 3.906 -2.673) 8.481 14.350 ( 9.033 -2.989 -1.835) 9.690 ======================= Grid point 58 (29/96) ======================= q-point: (-0.56 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 1.953 14.708 -1.249) 14.889 0.858 ( 4.343 -6.582 -0.980) 7.946 1.012 ( 0.651 1.866 -3.585) 4.094 1.058 ( 6.750 -2.336 -3.227) 7.838 1.176 ( 2.729 0.639 1.175) 3.039 1.240 ( 5.239 0.471 -3.116) 6.114 1.370 ( -5.276 0.065 -0.515) 5.301 1.415 ( -2.173 3.023 -0.230) 3.730 1.512 ( -6.889 0.868 2.146) 7.267 1.566 ( 1.721 -6.796 -0.332) 7.018 1.621 ( -2.340 2.033 1.552) 3.467 1.826 ( 0.895 -5.957 0.985) 6.104 1.878 ( -0.060 0.493 0.436) 0.661 1.916 ( -3.268 0.944 0.180) 3.406 1.976 ( -1.375 1.360 0.601) 2.025 2.066 ( 1.662 -6.282 -0.156) 6.500 2.290 ( 5.306 4.729 -1.971) 7.376 2.462 ( -1.530 6.287 2.341) 6.880 2.506 ( 2.578 -5.338 -2.933) 6.614 2.580 ( 4.174 0.578 0.787) 4.287 2.639 ( 0.214 2.471 1.701) 3.008 2.697 ( 0.688 2.136 -0.992) 2.453 2.801 ( 1.210 0.273 -1.703) 2.107 2.824 ( 1.978 1.198 -0.187) 2.320 2.868 ( 1.995 1.855 -2.316) 3.576 2.941 ( 1.403 2.747 -0.614) 3.145 3.036 ( -1.743 -4.818 0.004) 5.124 3.109 ( 1.689 -1.534 -1.208) 2.582 3.192 ( 4.218 -0.399 2.008) 4.689 3.206 ( 5.632 -0.278 1.655) 5.877 3.320 ( -9.130 0.454 -0.049) 9.142 3.442 ( -6.221 -3.316 -1.104) 7.135 3.525 ( 1.030 0.096 -1.285) 1.650 3.587 ( 2.575 -0.514 -2.218) 3.437 3.699 ( -3.490 2.231 3.628) 5.506 3.793 ( -3.379 -2.508 1.326) 4.412 3.917 ( 0.766 2.450 -0.387) 2.596 4.006 ( -1.311 -1.199 0.244) 1.793 4.170 ( -0.542 0.929 -0.232) 1.100 4.213 ( -0.589 -0.777 -0.705) 1.203 4.480 ( 0.301 3.161 1.052) 3.345 4.624 ( 1.853 -2.745 0.799) 3.407 4.748 ( -1.694 3.488 -0.661) 3.933 4.896 ( -1.224 -2.586 -0.362) 2.884 5.005 ( 2.513 0.998 -0.194) 2.711 5.051 ( 1.803 -0.938 0.093) 2.035 5.279 ( 0.037 1.331 -0.011) 1.332 5.343 ( 0.133 -1.252 -0.555) 1.376 6.359 ( -1.089 0.178 0.224) 1.126 6.364 ( -1.532 0.060 0.254) 1.554 6.638 ( -1.035 0.336 -0.493) 1.195 6.658 ( -0.935 -0.465 -0.370) 1.108 7.624 ( 4.622 0.395 1.309) 4.820 7.668 ( 2.644 -1.303 2.338) 3.763 8.554 ( -3.600 0.812 -1.030) 3.831 8.584 ( -3.461 -0.420 -1.725) 3.889 13.242 ( 0.516 -0.040 0.679) 0.854 13.247 ( 0.576 -0.065 0.764) 0.959 13.523 ( -0.137 0.867 0.295) 0.926 13.557 ( -0.313 -0.480 0.125) 0.586 13.581 ( 2.269 3.364 0.030) 4.058 13.729 ( 2.717 -2.512 -0.699) 3.766 14.005 ( 0.618 -0.681 0.305) 0.969 14.017 ( 0.558 -1.323 0.496) 1.520 14.257 ( 3.912 4.136 -2.094) 6.066 14.440 ( 3.973 -3.477 -2.384) 5.793 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.410 ( 3.104 12.027 1.199) 12.478 0.874 ( -1.464 -8.345 -1.878) 8.678 0.993 ( 0.938 4.536 -1.929) 5.017 1.140 ( 2.159 -2.253 0.242) 3.130 1.176 ( -5.588 -0.662 -0.183) 5.630 1.274 ( -3.206 2.395 -0.578) 4.043 1.287 ( 3.177 0.364 -4.531) 5.546 1.358 ( 0.967 3.387 -3.102) 4.694 1.445 ( -0.261 -1.768 0.480) 1.850 1.604 ( 2.751 -6.468 -0.678) 7.062 1.628 ( -0.265 0.380 3.294) 3.326 1.792 ( -4.119 -4.536 -0.365) 6.138 1.860 ( -2.648 0.723 -1.038) 2.935 1.893 ( 0.879 -0.171 -0.400) 0.981 1.945 ( -1.849 1.180 -0.073) 2.195 2.059 ( -2.688 -5.233 -0.435) 5.899 2.309 ( 0.459 2.202 -2.270) 3.196 2.388 ( -8.547 8.874 0.436) 12.329 2.483 ( -3.163 -4.375 -3.244) 6.298 2.590 ( -3.949 1.089 0.786) 4.171 2.613 ( -3.043 2.703 0.163) 4.074 2.678 ( -1.362 1.725 -1.887) 2.897 2.806 ( 0.867 0.722 -0.149) 1.138 2.840 ( -0.275 0.649 -0.819) 1.080 2.893 ( 3.265 1.536 -1.203) 3.803 2.951 ( 0.350 -0.911 -0.900) 1.327 3.005 ( -1.223 -3.500 -0.341) 3.723 3.113 ( 0.603 -1.257 -1.010) 1.721 3.169 ( -6.053 0.708 1.459) 6.266 3.204 ( -5.124 0.451 2.053) 5.539 3.350 ( 7.838 -0.540 1.029) 7.924 3.442 ( 6.213 -3.168 -1.254) 7.086 3.516 ( 0.571 1.470 -2.512) 2.966 3.626 ( 3.294 -0.265 0.157) 3.308 3.693 ( -2.188 0.909 3.393) 4.138 3.761 ( -0.769 -2.947 0.217) 3.053 3.943 ( 1.850 2.546 0.698) 3.224 4.022 ( 2.411 -0.821 0.565) 2.609 4.181 ( 1.828 0.682 0.159) 1.957 4.202 ( 0.656 -0.196 -1.183) 1.367 4.499 ( -0.177 3.213 1.875) 3.724 4.601 ( -3.587 0.020 -0.363) 3.605 4.778 ( 3.676 0.443 0.883) 3.807 4.872 ( -0.088 -2.292 -1.533) 2.759 5.012 ( -1.650 0.462 0.166) 1.721 5.027 ( -3.911 -0.169 -0.991) 4.039 5.281 ( 0.115 1.231 0.111) 1.241 5.340 ( 0.330 -1.125 -0.713) 1.372 6.367 ( 1.508 0.126 0.398) 1.565 6.369 ( 1.544 0.050 0.560) 1.643 6.641 ( 1.747 0.125 -0.314) 1.780 6.650 ( 0.625 -0.232 -0.791) 1.035 7.690 ( -3.521 -0.111 2.873) 4.545 7.713 ( 1.419 -1.067 4.951) 5.260 8.530 ( 2.849 1.023 -1.980) 3.617 8.574 ( 4.647 -0.760 -2.104) 5.157 13.237 ( -1.826 0.197 0.494) 1.902 13.249 ( -1.467 -0.165 0.835) 1.696 13.529 ( 0.026 0.895 0.568) 1.060 13.554 ( -0.062 -0.239 -0.001) 0.247 13.596 ( -0.784 2.874 0.555) 3.030 13.729 ( -1.652 -2.373 -0.757) 2.989 13.998 ( -1.351 -0.552 -0.132) 1.465 14.028 ( -0.670 -0.603 0.722) 1.155 14.278 ( 0.863 2.627 -0.584) 2.826 14.430 ( -1.535 -3.167 -2.953) 4.594 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 2.755 7.226 2.212) 8.043 0.773 ( -6.463 -5.149 -4.133) 9.240 0.942 ( -10.644 3.410 -1.798) 11.321 1.006 ( -3.340 1.237 -4.045) 5.389 1.032 ( -9.750 -2.624 -3.280) 10.616 1.211 ( -2.748 2.172 -1.106) 3.673 1.366 ( 7.321 -0.435 0.231) 7.337 1.434 ( 6.812 1.797 -0.276) 7.051 1.481 ( 2.783 -4.733 -0.694) 5.534 1.621 ( -0.687 -3.398 -1.134) 3.648 1.667 ( -1.278 -2.245 4.841) 5.487 1.723 ( -4.795 -4.781 0.920) 6.833 1.776 ( -5.240 1.499 -2.124) 5.849 1.882 ( 0.632 -2.766 -3.451) 4.467 1.922 ( -6.076 2.350 2.922) 7.140 1.954 ( -5.887 0.499 0.581) 5.937 2.178 ( -13.752 6.690 0.783) 15.313 2.261 ( -5.433 0.682 -2.725) 6.116 2.338 ( -2.536 -1.063 -3.370) 4.350 2.509 ( -3.765 -3.018 -0.999) 4.928 2.603 ( 0.060 3.934 -0.665) 3.990 2.645 ( 0.382 2.511 -1.007) 2.732 2.811 ( -1.215 -2.240 -0.448) 2.588 2.828 ( 1.763 2.925 -0.656) 3.477 2.918 ( -0.367 0.553 0.306) 0.731 2.955 ( 1.425 -0.506 -0.272) 1.536 2.994 ( 1.297 -4.266 -2.146) 4.949 3.084 ( -3.865 -1.697 1.246) 4.401 3.118 ( -2.885 1.580 1.171) 3.492 3.181 ( -0.589 0.244 2.244) 2.332 3.451 ( 1.572 -0.288 -1.595) 2.258 3.494 ( 3.141 -1.167 -0.646) 3.413 3.543 ( 4.663 2.769 -0.449) 5.442 3.677 ( -1.263 1.845 2.238) 3.164 3.718 ( 4.296 -3.475 1.177) 5.649 3.781 ( 2.924 -3.225 -0.798) 4.425 3.984 ( 1.406 3.889 1.132) 4.288 4.079 ( 3.334 -0.953 -0.189) 3.473 4.216 ( 2.663 1.122 -0.725) 2.979 4.235 ( 3.907 0.520 0.363) 3.958 4.507 ( -1.986 2.005 2.148) 3.547 4.528 ( -4.467 1.155 -0.057) 4.615 4.842 ( 1.894 -0.945 0.544) 2.185 4.863 ( 1.110 -1.094 -1.489) 2.156 4.926 ( -4.843 1.231 -1.537) 5.228 4.981 ( -1.124 -0.984 0.246) 1.514 5.279 ( -0.630 1.257 0.225) 1.424 5.336 ( 0.126 -1.066 -0.727) 1.296 6.408 ( 2.420 0.162 0.227) 2.436 6.414 ( 2.598 -0.049 0.371) 2.625 6.659 ( 1.685 0.410 -1.123) 2.066 6.680 ( 2.919 -0.413 -0.394) 2.974 7.607 ( -9.508 2.227 2.241) 10.019 7.781 ( -1.660 -5.038 7.138) 8.893 8.602 ( 7.984 1.447 -2.225) 8.414 8.679 ( 10.161 -1.850 -3.053) 10.769 13.195 ( -3.329 0.581 0.165) 3.384 13.217 ( -3.200 -0.189 0.812) 3.307 13.516 ( -2.681 2.065 0.400) 3.408 13.556 ( 0.246 0.079 -0.032) 0.261 13.585 ( -0.944 1.026 1.057) 1.749 13.664 ( -4.653 -1.843 -0.477) 5.027 13.959 ( -3.014 0.088 -0.395) 3.041 13.999 ( -2.415 0.183 -0.826) 2.559 14.291 ( -0.632 -1.433 2.331) 2.808 14.336 ( -5.054 -1.938 -2.511) 5.967 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -6.936 -1.951 -3.292) 7.921 0.568 ( -7.068 0.281 -0.510) 7.092 0.675 ( -11.222 2.672 -4.927) 12.544 0.816 ( -8.477 -3.214 -4.261) 10.017 0.943 ( -3.215 5.033 -2.409) 6.440 1.174 ( -1.546 -1.442 0.086) 2.116 1.362 ( -20.821 0.935 2.949) 21.050 1.471 ( -4.096 2.283 1.521) 4.930 1.502 ( 1.739 -8.692 -1.171) 8.941 1.586 ( -0.579 -2.331 -0.698) 2.501 1.587 ( -3.802 1.361 1.452) 4.292 1.635 ( -6.065 2.802 0.691) 6.717 1.716 ( 0.670 -0.790 3.274) 3.434 1.813 ( -5.407 2.255 -0.135) 5.860 1.884 ( -5.632 -2.811 3.155) 7.041 1.927 ( 4.842 -4.282 -1.809) 6.712 2.052 ( 0.200 6.739 1.475) 6.902 2.218 ( 2.801 2.201 -1.126) 3.736 2.294 ( -0.067 -1.209 -2.511) 2.788 2.434 ( -3.181 -3.762 -1.494) 5.148 2.584 ( -1.124 1.822 -1.441) 2.581 2.665 ( 2.377 4.590 -0.089) 5.170 2.788 ( -0.858 -3.898 -0.753) 4.061 2.853 ( 1.109 3.629 0.214) 3.801 2.918 ( 0.558 1.310 -0.083) 1.427 2.946 ( -1.796 -0.158 -0.626) 1.909 3.004 ( 2.239 -2.686 -3.466) 4.924 3.029 ( -3.271 -2.833 0.968) 4.434 3.080 ( -2.989 1.852 1.911) 4.002 3.211 ( 1.291 -3.050 1.369) 3.584 3.431 ( 0.279 3.252 -2.530) 4.130 3.530 ( 0.677 -0.061 1.207) 1.385 3.616 ( 1.895 0.476 1.129) 2.257 3.700 ( 2.710 2.194 1.352) 3.740 3.780 ( 2.422 -3.025 -1.576) 4.183 3.838 ( 3.524 -3.062 0.446) 4.690 4.020 ( 1.749 4.863 1.138) 5.292 4.127 ( 3.280 -1.583 -0.835) 3.737 4.269 ( 3.273 2.287 0.108) 3.995 4.307 ( 3.238 0.906 0.447) 3.392 4.452 ( -4.708 0.644 0.551) 4.784 4.468 ( -4.423 0.504 1.182) 4.605 4.822 ( -2.610 1.020 -0.336) 2.822 4.873 ( -0.096 -1.225 0.941) 1.548 4.890 ( 2.754 1.615 -2.279) 3.923 4.993 ( 1.676 -2.119 0.042) 2.702 5.266 ( -1.139 1.442 0.337) 1.868 5.328 ( -0.144 -1.131 -0.691) 1.333 6.440 ( 1.174 0.358 -0.191) 1.242 6.456 ( 1.998 -0.276 0.004) 2.017 6.683 ( 2.226 0.827 -0.666) 2.466 6.722 ( 2.413 -0.723 -0.449) 2.558 7.418 ( -14.183 3.776 0.692) 14.693 7.793 ( -7.395 -14.034 6.170) 17.021 8.738 ( 9.687 1.494 -1.274) 9.884 8.818 ( 10.151 -2.300 -4.358) 11.284 13.134 ( -3.573 0.876 -0.128) 3.681 13.164 ( -3.779 -0.073 0.631) 3.832 13.460 ( -3.467 2.935 0.315) 4.553 13.551 ( -1.534 -0.594 -0.395) 1.692 13.580 ( -1.539 -0.076 0.520) 1.626 13.589 ( -2.373 0.011 0.801) 2.504 13.885 ( -4.484 1.240 -0.640) 4.697 13.950 ( -1.043 -0.667 -1.850) 2.226 14.200 ( -6.539 -0.425 -1.701) 6.770 14.317 ( -2.207 -7.092 3.663) 8.282 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.208 ( -13.024 3.097 -7.120) 15.163 0.437 ( -9.427 5.525 5.966) 12.450 0.579 ( -0.687 -4.321 -2.713) 5.148 0.718 ( -2.336 -2.412 4.529) 5.638 0.811 ( -15.705 3.837 3.037) 16.450 0.981 ( -17.117 14.652 2.181) 22.637 1.062 ( -14.773 -7.827 2.936) 16.974 1.394 ( 1.078 5.166 -1.632) 5.524 1.497 ( -0.573 -4.036 -0.092) 4.078 1.544 ( -1.360 -4.673 -0.590) 4.902 1.621 ( 2.742 -1.350 0.623) 3.119 1.667 ( 3.191 -1.871 2.913) 4.708 1.723 ( -3.854 1.984 -1.758) 4.677 1.760 ( -0.289 1.048 4.814) 4.935 1.829 ( -3.101 -1.297 1.577) 3.713 1.998 ( 2.840 -6.421 0.347) 7.030 2.134 ( 3.774 3.499 2.825) 5.871 2.257 ( 3.293 2.762 -2.124) 4.794 2.299 ( 0.882 -0.380 1.084) 1.448 2.379 ( -1.822 -0.328 0.540) 1.929 2.544 ( -1.272 -1.461 -0.848) 2.115 2.714 ( 2.874 5.329 0.206) 6.058 2.756 ( -1.233 -4.850 -1.774) 5.310 2.853 ( -2.659 3.483 1.640) 4.678 2.901 ( 0.308 2.452 -2.906) 3.815 2.940 ( -2.331 0.199 -3.773) 4.439 2.956 ( 4.222 1.337 -1.307) 4.617 3.036 ( 1.820 -2.721 -0.656) 3.339 3.067 ( -1.212 1.355 2.121) 2.793 3.245 ( 0.800 -7.224 0.851) 7.318 3.411 ( 0.455 4.814 -2.093) 5.269 3.550 ( -0.213 -1.000 1.104) 1.505 3.645 ( 0.407 2.127 1.840) 2.842 3.765 ( 2.958 -0.343 -0.684) 3.056 3.799 ( 1.874 0.508 -0.077) 1.944 3.894 ( 3.527 -1.229 -0.653) 3.791 4.075 ( 2.830 4.543 1.060) 5.456 4.177 ( 3.599 -1.567 -0.959) 4.041 4.307 ( 0.694 1.129 0.384) 1.379 4.341 ( -0.042 0.275 0.413) 0.498 4.375 ( -3.998 0.624 0.143) 4.049 4.414 ( -3.096 0.203 0.022) 3.102 4.798 ( -0.337 1.665 0.605) 1.803 4.878 ( -0.494 -1.909 0.360) 2.005 4.924 ( 3.177 1.959 -1.367) 3.975 5.017 ( 0.966 -1.936 -0.154) 2.169 5.255 ( -0.201 1.898 0.054) 1.909 5.318 ( -0.007 -1.116 -0.799) 1.372 6.449 ( 0.404 0.657 -0.276) 0.819 6.481 ( 1.087 -0.622 -0.281) 1.283 6.715 ( 1.704 0.669 0.482) 1.893 6.750 ( 1.279 -0.648 -0.165) 1.443 7.177 ( -12.342 1.974 -0.330) 12.504 7.532 ( -28.709 -23.100 -4.854) 37.167 8.884 ( 6.973 1.268 0.485) 7.104 8.940 ( 7.865 -1.292 2.032) 8.225 13.079 ( -2.319 0.839 -0.226) 2.476 13.110 ( -2.904 -0.130 0.358) 2.929 13.428 ( 0.388 3.930 -1.158) 4.116 13.509 ( -1.011 -0.511 -0.420) 1.208 13.571 ( -0.469 0.324 0.375) 0.682 13.575 ( -1.125 0.258 0.798) 1.404 13.813 ( -2.598 2.039 -0.565) 3.351 13.925 ( 1.032 -1.887 -2.594) 3.370 14.082 ( -5.254 0.124 -0.798) 5.316 14.236 ( -11.321 -11.274 -1.505) 16.048 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 4.305 -8.570 1.999) 9.796 0.401 ( 4.305 8.570 1.999) 9.796 0.690 ( -0.264 -3.485 5.319) 6.364 0.690 ( -0.264 3.485 5.319) 6.364 0.717 ( -3.621 -3.635 7.295) 8.919 0.717 ( -3.621 3.635 7.295) 8.919 1.236 ( -1.313 -16.179 -0.180) 16.233 1.236 ( -1.313 16.179 -0.180) 16.233 1.467 ( 0.529 -1.545 -0.207) 1.646 1.467 ( 0.529 1.545 -0.207) 1.646 1.660 ( -1.246 -4.536 -0.672) 4.752 1.660 ( -1.246 4.536 -0.672) 4.752 1.740 ( 1.336 -3.008 1.202) 3.503 1.740 ( 1.336 3.008 1.202) 3.503 1.911 ( -0.709 -6.601 4.113) 7.809 1.911 ( -0.709 6.601 4.113) 7.809 2.246 ( -0.487 -4.540 0.781) 4.632 2.246 ( -0.487 4.540 0.781) 4.632 2.350 ( -0.247 -2.463 0.892) 2.631 2.350 ( -0.247 2.463 0.892) 2.631 2.608 ( 1.172 -6.191 -0.335) 6.310 2.608 ( 1.172 6.191 -0.335) 6.310 2.836 ( 0.783 -1.666 -0.658) 1.955 2.836 ( 0.783 1.666 -0.658) 1.955 2.932 ( 2.617 -4.317 -4.724) 6.913 2.932 ( 2.617 4.317 -4.724) 6.913 2.976 ( -0.889 -5.921 -1.087) 6.085 2.976 ( -0.889 5.921 -1.087) 6.085 3.131 ( -1.060 -3.379 2.699) 4.452 3.131 ( -1.060 3.379 2.699) 4.452 3.483 ( -0.256 -3.686 -1.202) 3.885 3.483 ( -0.256 3.686 -1.202) 3.885 3.753 ( 1.471 -3.318 1.275) 3.847 3.753 ( 1.471 3.318 1.275) 3.847 3.870 ( -0.800 -2.995 -1.782) 3.575 3.870 ( -0.800 2.995 -1.782) 3.575 4.167 ( 0.157 -2.616 -1.340) 2.943 4.167 ( 0.157 2.616 -1.340) 2.943 4.314 ( -2.056 -0.519 0.363) 2.151 4.314 ( -2.056 0.519 0.363) 2.151 4.362 ( 0.777 -0.273 0.242) 0.859 4.362 ( 0.777 0.273 0.242) 0.859 4.838 ( -0.313 -1.661 0.741) 1.845 4.838 ( -0.313 1.661 0.741) 1.845 4.987 ( 0.562 -1.844 -0.555) 2.006 4.987 ( 0.562 1.844 -0.555) 2.006 5.289 ( 0.401 -1.491 -0.824) 1.750 5.289 ( 0.401 1.491 -0.824) 1.750 6.471 ( 0.273 -0.916 -0.139) 0.965 6.471 ( 0.273 0.916 -0.139) 0.965 6.756 ( 0.568 -0.343 0.769) 1.015 6.756 ( 0.568 0.343 0.769) 1.015 7.048 ( -1.652 -0.522 0.049) 1.733 7.048 ( -1.652 0.522 0.049) 1.733 9.017 ( 1.216 -3.474 3.849) 5.326 9.017 ( 1.216 3.474 3.849) 5.326 13.073 ( -0.032 -0.634 -0.002) 0.635 13.073 ( -0.032 0.634 -0.002) 0.635 13.467 ( 0.227 -1.672 -2.359) 2.900 13.467 ( 0.227 1.672 -2.359) 2.900 13.571 ( -0.501 -0.078 0.388) 0.639 13.571 ( -0.501 0.078 0.388) 0.639 13.860 ( 1.756 -3.465 -1.378) 4.122 13.860 ( 1.756 3.465 -1.378) 4.122 14.014 ( -1.705 -0.683 -1.210) 2.200 14.014 ( -1.705 0.683 -1.210) 2.200 ======================= Grid point 65 (35/96) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 7.345 -2.230 7.758) 10.914 0.559 ( 7.345 2.230 7.758) 10.914 0.718 ( 1.957 -5.300 2.134) 6.039 0.718 ( 1.957 5.300 2.134) 6.039 0.921 ( 11.798 -4.253 3.277) 12.962 0.921 ( 11.798 4.253 3.277) 12.962 1.252 ( 5.248 -9.528 -0.935) 10.918 1.252 ( 5.248 9.528 -0.935) 10.918 1.492 ( 1.143 -1.076 1.108) 1.921 1.492 ( 1.143 1.076 1.108) 1.921 1.616 ( -0.938 -6.690 -0.897) 6.814 1.616 ( -0.938 6.690 -0.897) 6.814 1.771 ( -1.040 -3.779 2.139) 4.465 1.771 ( -1.040 3.779 2.139) 4.465 1.935 ( -0.997 -6.620 3.157) 7.401 1.935 ( -0.997 6.620 3.157) 7.401 2.243 ( -1.167 -8.146 1.488) 8.363 2.243 ( -1.167 8.146 1.488) 8.363 2.344 ( -1.011 -3.312 1.230) 3.674 2.344 ( -1.011 3.312 1.230) 3.674 2.654 ( 3.494 -3.984 0.389) 5.313 2.654 ( 3.494 3.984 0.389) 5.313 2.856 ( 3.258 -0.742 -3.573) 4.892 2.856 ( 3.258 0.742 -3.573) 4.892 2.888 ( -2.739 -4.210 -0.345) 5.035 2.888 ( -2.739 4.210 -0.345) 5.035 2.972 ( 1.781 -6.878 -1.355) 7.233 2.972 ( 1.781 6.878 -1.355) 7.233 3.129 ( -2.312 -4.005 1.892) 4.996 3.129 ( -2.312 4.005 1.892) 4.996 3.474 ( 0.849 -1.980 -1.187) 2.459 3.474 ( 0.849 1.980 -1.187) 2.459 3.772 ( -3.391 -3.677 1.022) 5.105 3.772 ( -3.391 3.677 1.022) 5.105 3.802 ( -1.546 -3.189 -1.170) 3.732 3.802 ( -1.546 3.189 -1.170) 3.732 4.125 ( -2.763 -3.406 -0.804) 4.459 4.125 ( -2.763 3.406 -0.804) 4.459 4.296 ( -0.430 -0.484 -0.496) 0.816 4.296 ( -0.430 0.484 -0.496) 0.816 4.405 ( 2.861 -0.110 0.365) 2.886 4.405 ( 2.861 0.110 0.365) 2.886 4.843 ( 0.008 -1.013 0.767) 1.271 4.843 ( 0.008 1.013 0.767) 1.271 4.980 ( -0.739 -1.243 -0.344) 1.486 4.980 ( -0.739 1.243 -0.344) 1.486 5.289 ( 0.602 -2.009 -0.435) 2.142 5.289 ( 0.602 2.009 -0.435) 2.142 6.468 ( -0.642 -0.341 -0.154) 0.743 6.468 ( -0.642 0.341 -0.154) 0.743 6.756 ( -1.372 -0.455 0.643) 1.582 6.756 ( -1.372 0.455 0.643) 1.582 7.170 ( 13.724 -1.388 -2.516) 14.021 7.170 ( 13.724 1.388 -2.516) 14.021 9.011 ( -6.761 -4.379 3.243) 8.684 9.011 ( -6.761 4.379 3.243) 8.684 13.098 ( 2.708 -0.286 0.051) 2.724 13.098 ( 2.708 0.286 0.051) 2.724 13.454 ( 1.795 -1.615 -1.768) 2.993 13.454 ( 1.795 1.615 -1.768) 2.993 13.571 ( -0.137 -0.246 0.401) 0.490 13.571 ( -0.137 0.246 0.401) 0.490 13.890 ( 2.620 -3.027 -0.228) 4.010 13.890 ( 2.620 3.027 -0.228) 4.010 14.036 ( 6.361 -0.687 -2.819) 6.991 14.036 ( 6.361 0.687 -2.819) 6.991 ======================= Grid point 67 (36/96) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -0.003 -7.125 -0.177) 7.127 0.668 ( -0.003 7.125 -0.177) 7.127 0.843 ( 8.490 -2.540 2.130) 9.114 0.843 ( 8.490 2.540 2.130) 9.114 1.080 ( 3.724 -5.877 2.001) 7.239 1.080 ( 3.724 5.877 2.001) 7.239 1.423 ( 10.605 -1.197 -0.415) 10.680 1.423 ( 10.605 1.197 -0.415) 10.680 1.509 ( 1.866 -2.356 -0.509) 3.048 1.509 ( 1.866 2.356 -0.509) 3.048 1.634 ( 1.093 -5.253 1.894) 5.690 1.634 ( 1.093 5.253 1.894) 5.690 1.788 ( 3.528 -0.821 1.766) 4.030 1.788 ( 3.528 0.821 1.766) 4.030 1.949 ( -1.936 -5.239 3.471) 6.576 1.949 ( -1.936 5.239 3.471) 6.576 2.245 ( 0.272 -7.345 1.072) 7.427 2.245 ( 0.272 7.345 1.072) 7.427 2.362 ( 1.570 -2.305 1.378) 3.110 2.362 ( 1.570 2.305 1.378) 3.110 2.711 ( 1.822 -2.779 0.753) 3.407 2.711 ( 1.822 2.779 0.753) 3.407 2.817 ( -0.977 -2.747 -2.192) 3.647 2.817 ( -0.977 2.747 -2.192) 3.647 2.904 ( 2.691 -4.201 -1.021) 5.092 2.904 ( 2.691 4.201 -1.021) 5.092 2.997 ( 2.969 -5.211 -1.014) 6.083 2.997 ( 2.969 5.211 -1.014) 6.083 3.101 ( -2.808 -4.094 1.377) 5.152 3.101 ( -2.808 4.094 1.377) 5.152 3.481 ( 1.156 -0.984 -0.971) 1.802 3.481 ( 1.156 0.984 -0.971) 1.802 3.678 ( -5.663 -2.304 -0.511) 6.135 3.678 ( -5.663 2.304 -0.511) 6.135 3.795 ( -1.373 -3.051 1.113) 3.525 3.795 ( -1.373 3.051 1.113) 3.525 4.067 ( -3.105 -3.638 -0.662) 4.828 4.067 ( -3.105 3.638 -0.662) 4.828 4.267 ( -1.967 -0.440 -0.832) 2.181 4.267 ( -1.967 0.440 -0.832) 2.181 4.462 ( 3.302 -0.842 0.319) 3.422 4.462 ( 3.302 0.842 0.319) 3.422 4.857 ( 0.705 -1.197 0.397) 1.444 4.857 ( 0.705 1.197 0.397) 1.444 4.961 ( -0.912 -0.324 0.015) 0.968 4.961 ( -0.912 0.324 0.015) 0.968 5.299 ( 0.912 -2.063 -0.198) 2.264 5.299 ( 0.912 2.063 -0.198) 2.264 6.443 ( -1.880 -0.202 -0.337) 1.920 6.443 ( -1.880 0.202 -0.337) 1.920 6.729 ( -2.438 -0.374 0.305) 2.485 6.729 ( -2.438 0.374 0.305) 2.485 7.373 ( 12.975 -1.103 -3.299) 13.433 7.373 ( 12.975 1.103 -3.299) 13.433 8.875 ( -11.129 -3.073 1.275) 11.616 8.875 ( -11.129 3.073 1.275) 11.616 13.154 ( 3.324 -0.186 0.329) 3.345 13.154 ( 3.324 0.186 0.329) 3.345 13.498 ( 4.578 -2.770 -0.736) 5.401 13.498 ( 4.578 2.770 -0.736) 5.401 13.570 ( -0.038 -0.524 -0.100) 0.535 13.570 ( -0.038 0.524 -0.100) 0.535 13.935 ( 2.507 -1.609 0.043) 2.979 13.935 ( 2.507 1.609 0.043) 2.979 14.146 ( 9.376 -2.759 -2.600) 10.113 14.146 ( 9.376 2.759 -2.600) 10.113 ======================= Grid point 69 (37/96) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.901 -11.580 -2.918) 11.976 0.648 ( 0.901 11.580 -2.918) 11.976 0.969 ( 6.378 -2.151 -2.274) 7.104 0.969 ( 6.378 2.151 -2.274) 7.104 1.157 ( 3.455 -3.553 1.603) 5.209 1.157 ( 3.455 3.553 1.603) 5.209 1.445 ( -1.621 -1.632 -1.068) 2.536 1.445 ( -1.621 1.632 -1.068) 2.536 1.568 ( -1.639 -4.391 0.945) 4.782 1.568 ( -1.639 4.391 0.945) 4.782 1.657 ( 1.206 -4.932 2.608) 5.708 1.657 ( 1.206 4.932 2.608) 5.708 1.928 ( 0.781 -3.119 1.425) 3.517 1.928 ( 0.781 3.119 1.425) 3.517 1.952 ( 2.892 -2.370 2.219) 4.348 1.952 ( 2.892 2.370 2.219) 4.348 2.312 ( 7.963 -6.305 -1.486) 10.265 2.312 ( 7.963 6.305 -1.486) 10.265 2.429 ( 4.612 -1.491 1.809) 5.174 2.429 ( 4.612 1.491 1.809) 5.174 2.718 ( -1.892 -1.738 1.078) 2.786 2.718 ( -1.892 1.738 1.078) 2.786 2.805 ( 2.145 -1.597 -2.236) 3.486 2.805 ( 2.145 1.597 -2.236) 3.486 2.927 ( 1.471 -6.064 -1.089) 6.334 2.927 ( 1.471 6.064 -1.089) 6.334 3.040 ( 0.691 -2.832 0.206) 2.922 3.040 ( 0.691 2.832 0.206) 2.922 3.094 ( 2.380 -1.996 1.151) 3.312 3.094 ( 2.380 1.996 1.151) 3.312 3.472 ( -2.781 -2.310 -0.302) 3.628 3.472 ( -2.781 2.310 -0.302) 3.628 3.583 ( -2.856 -2.420 -1.866) 4.182 3.583 ( -2.856 2.420 -1.866) 4.182 3.774 ( -3.068 -3.069 2.108) 4.824 3.774 ( -3.068 3.069 2.108) 4.824 4.006 ( -2.969 -3.318 -0.555) 4.487 4.006 ( -2.969 3.318 -0.555) 4.487 4.222 ( -2.059 -0.959 -0.594) 2.348 4.222 ( -2.059 0.959 -0.594) 2.348 4.517 ( 2.527 -2.638 0.320) 3.667 4.517 ( 2.527 2.638 0.320) 3.667 4.859 ( -1.181 -3.127 -0.082) 3.344 4.859 ( -1.181 3.127 -0.082) 3.344 4.973 ( 2.691 -0.816 0.218) 2.820 4.973 ( 2.691 0.816 0.218) 2.820 5.310 ( 0.515 -1.946 -0.210) 2.024 5.310 ( 0.515 1.946 -0.210) 2.024 6.400 ( -2.580 -0.323 -0.203) 2.608 6.400 ( -2.580 0.323 -0.203) 2.608 6.684 ( -2.606 -0.193 -0.186) 2.620 6.684 ( -2.606 0.193 -0.186) 2.620 7.532 ( 8.505 -0.773 -1.018) 8.601 7.532 ( 8.505 0.773 -1.018) 8.601 8.696 ( -9.446 -1.556 -0.358) 9.580 8.696 ( -9.446 1.556 -0.358) 9.580 13.210 ( 2.358 -0.204 0.649) 2.454 13.210 ( 2.358 0.204 0.649) 2.454 13.545 ( 0.154 -0.988 0.062) 1.001 13.545 ( 0.154 0.988 0.062) 1.001 13.599 ( 4.571 -3.542 -0.650) 5.819 13.599 ( 4.571 3.542 -0.650) 5.819 13.973 ( 1.837 -0.580 0.125) 1.930 13.973 ( 1.837 0.580 0.125) 1.930 14.274 ( 7.980 -4.505 -2.106) 9.403 14.274 ( 7.980 4.505 -2.106) 9.403 ======================= Grid point 71 (38/96) ======================= q-point: (-0.56 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 1.900 -13.686 -1.640) 13.914 0.648 ( 1.900 13.686 -1.640) 13.914 1.036 ( 6.436 -0.945 -4.328) 7.813 1.036 ( 6.436 0.945 -4.328) 7.813 1.223 ( 1.960 -3.138 0.656) 3.758 1.223 ( 1.960 3.138 0.656) 3.758 1.404 ( -0.768 -5.011 -1.484) 5.282 1.404 ( -0.768 5.011 -1.484) 5.282 1.501 ( -6.020 -1.560 1.273) 6.348 1.501 ( -6.020 1.560 1.273) 6.348 1.705 ( -0.118 -5.925 2.111) 6.291 1.705 ( -0.118 5.925 2.111) 6.291 1.901 ( -2.106 -1.818 0.696) 2.868 1.901 ( -2.106 1.818 0.696) 2.868 1.997 ( -0.146 -1.323 -0.026) 1.331 1.997 ( -0.146 1.323 -0.026) 1.331 2.396 ( 4.118 -5.743 -3.377) 7.832 2.396 ( 4.118 5.743 -3.377) 7.832 2.557 ( 4.564 -2.985 1.975) 5.800 2.557 ( 4.564 2.985 1.975) 5.800 2.692 ( -1.489 -2.004 0.114) 2.499 2.692 ( -1.489 2.004 0.114) 2.499 2.823 ( 2.566 -1.572 -2.166) 3.707 2.823 ( 2.566 1.572 -2.166) 3.707 2.929 ( -0.550 -5.158 -0.321) 5.198 2.929 ( -0.550 5.158 -0.321) 5.198 3.039 ( 0.188 -5.378 0.121) 5.382 3.039 ( 0.188 5.378 0.121) 5.382 3.195 ( 5.913 -0.649 1.406) 6.112 3.195 ( 5.913 0.649 1.406) 6.112 3.357 ( -8.317 -3.572 0.095) 9.052 3.357 ( -8.317 3.572 0.095) 9.052 3.563 ( 2.543 -2.060 -2.871) 4.353 3.563 ( 2.543 2.060 -2.871) 4.353 3.742 ( -3.731 -2.433 2.676) 5.196 3.742 ( -3.731 2.433 2.676) 5.196 3.969 ( -0.575 -2.517 0.122) 2.585 3.969 ( -0.575 2.517 0.122) 2.585 4.193 ( -0.600 -1.239 -0.397) 1.433 4.193 ( -0.600 1.239 -0.397) 1.433 4.555 ( 1.119 -4.054 0.811) 4.283 4.555 ( 1.119 4.054 0.811) 4.283 4.828 ( -1.364 -4.160 -0.575) 4.415 4.828 ( -1.364 4.160 -0.575) 4.415 5.028 ( 2.235 -1.293 0.002) 2.582 5.028 ( 2.235 1.293 0.002) 2.582 5.311 ( 0.092 -1.839 -0.288) 1.863 5.311 ( 0.092 1.839 -0.288) 1.863 6.363 ( -1.329 -0.135 0.230) 1.355 6.363 ( -1.329 0.135 0.230) 1.355 6.647 ( -0.983 -0.583 -0.423) 1.219 6.647 ( -0.983 0.583 -0.423) 1.219 7.641 ( 3.563 -1.253 1.897) 4.226 7.641 ( 3.563 1.253 1.897) 4.226 8.572 ( -3.440 -0.852 -1.439) 3.825 8.572 ( -3.440 0.852 -1.439) 3.825 13.244 ( 0.498 -0.209 0.801) 0.966 13.244 ( 0.498 0.209 0.801) 0.966 13.542 ( -0.214 -0.964 0.185) 1.005 13.542 ( -0.214 0.964 0.185) 1.005 13.660 ( 2.532 -4.236 -0.487) 4.959 13.660 ( 2.532 4.236 -0.487) 4.959 13.999 ( 0.659 -0.328 0.562) 0.927 13.999 ( 0.659 0.328 0.562) 0.927 14.352 ( 3.833 -5.143 -2.338) 6.827 14.352 ( 3.833 5.143 -2.338) 6.827 ======================= Grid point 73 (39/96) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 1.053 -12.663 -1.375) 12.781 0.660 ( 1.053 12.663 -1.375) 12.781 1.091 ( 2.820 -3.703 -1.778) 4.982 1.091 ( 2.820 3.703 -1.778) 4.982 1.199 ( -5.156 -4.076 -0.552) 6.595 1.199 ( -5.156 4.076 -0.552) 6.595 1.388 ( 0.037 -2.715 -2.675) 3.812 1.388 ( 0.037 2.715 -2.675) 3.812 1.452 ( 2.252 -5.129 0.134) 5.603 1.452 ( 2.252 5.129 0.134) 5.603 1.692 ( -3.348 -4.750 1.747) 6.069 1.692 ( -3.348 4.750 1.747) 6.069 1.880 ( -1.465 -1.040 -0.325) 1.826 1.880 ( -1.465 1.040 -0.325) 1.826 1.982 ( -0.616 -2.744 -0.412) 2.843 1.982 ( -0.616 2.744 -0.412) 2.843 2.379 ( -1.541 -4.563 -4.248) 6.422 2.379 ( -1.541 4.563 -4.248) 6.422 2.545 ( -8.110 -5.239 2.114) 9.884 2.545 ( -8.110 5.239 2.114) 9.884 2.678 ( 0.067 -2.211 -1.090) 2.466 2.678 ( 0.067 2.211 -1.090) 2.466 2.838 ( 1.755 -3.182 -1.946) 4.122 2.838 ( 1.755 3.182 -1.946) 4.122 2.899 ( -1.446 -3.506 -0.921) 3.903 2.899 ( -1.446 3.506 -0.921) 3.903 3.049 ( -0.021 -4.853 0.459) 4.874 3.049 ( -0.021 4.853 0.459) 4.874 3.194 ( -5.362 -1.436 1.840) 5.848 3.194 ( -5.362 1.436 1.840) 5.848 3.367 ( 6.987 -2.754 0.131) 7.512 3.367 ( 6.987 2.754 0.131) 7.512 3.587 ( 3.726 -3.746 -2.470) 5.832 3.587 ( 3.726 3.746 -2.470) 5.832 3.713 ( -2.574 -1.560 2.350) 3.819 3.713 ( -2.574 1.560 2.350) 3.819 3.993 ( 2.368 -2.182 0.856) 3.331 3.993 ( 2.368 2.182 0.856) 3.331 4.195 ( 1.380 -0.591 -0.344) 1.540 4.195 ( 1.380 0.591 -0.344) 1.540 4.568 ( -1.259 -3.251 1.378) 3.749 4.568 ( -1.259 3.251 1.378) 3.749 4.815 ( 1.255 -3.072 -1.109) 3.499 4.815 ( 1.255 3.072 -1.109) 3.499 5.021 ( -2.791 -0.397 -0.306) 2.836 5.021 ( -2.791 0.397 -0.306) 2.836 5.311 ( 0.244 -1.661 -0.299) 1.706 5.311 ( 0.244 1.661 -0.299) 1.706 6.369 ( 1.521 -0.086 0.456) 1.591 6.369 ( 1.521 0.086 0.456) 1.591 6.645 ( 1.191 -0.259 -0.535) 1.331 6.645 ( 1.191 0.259 -0.535) 1.331 7.694 ( -1.283 -0.652 3.933) 4.188 7.694 ( -1.283 0.652 3.933) 4.188 8.554 ( 3.668 -1.231 -2.146) 4.424 8.554 ( 3.668 1.231 -2.146) 4.424 13.243 ( -1.623 -0.375 0.767) 1.834 13.243 ( -1.623 0.375 0.767) 1.834 13.545 ( 0.212 -0.674 0.289) 0.763 13.545 ( 0.212 0.674 0.289) 0.763 13.666 ( -1.311 -3.820 -0.308) 4.050 13.666 ( -1.311 3.820 -0.308) 4.050 14.005 ( -0.962 -1.166 0.775) 1.699 14.005 ( -0.962 1.166 0.775) 1.699 14.351 ( -0.641 -4.381 -2.270) 4.976 14.351 ( -0.641 4.381 -2.270) 4.976 ======================= Grid point 75 (40/96) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -1.435 -8.075 -2.972) 8.723 0.637 ( -1.435 8.075 -2.972) 8.723 0.981 ( -11.458 -2.059 -3.249) 12.086 0.981 ( -11.458 2.059 -3.249) 12.086 1.134 ( -1.877 -8.882 0.433) 9.089 1.134 ( -1.877 8.882 0.433) 9.089 1.386 ( 2.154 -3.011 -1.549) 4.013 1.386 ( 2.154 3.011 -1.549) 4.013 1.529 ( 4.782 -4.901 -0.942) 6.912 1.529 ( 4.782 4.901 -0.942) 6.912 1.659 ( -2.722 -1.706 3.156) 4.503 1.659 ( -2.722 1.706 3.156) 4.503 1.822 ( -3.097 -2.899 -2.864) 5.118 1.822 ( -3.097 2.899 -2.864) 5.118 1.954 ( -5.526 -0.810 2.430) 6.091 1.954 ( -5.526 0.810 2.430) 6.091 2.247 ( -6.006 -2.423 -3.793) 7.506 2.247 ( -6.006 2.423 -3.793) 7.506 2.410 ( -7.748 -6.496 1.443) 10.213 2.410 ( -7.748 6.496 1.443) 10.213 2.672 ( 1.210 -2.177 -1.871) 3.115 2.672 ( 1.210 2.177 -1.871) 3.115 2.826 ( -0.863 -5.463 -0.765) 5.584 2.826 ( -0.863 5.463 -0.765) 5.584 2.899 ( 3.140 -3.425 -1.990) 5.055 2.899 ( 3.140 3.425 -1.990) 5.055 3.036 ( -2.145 -3.535 0.505) 4.166 3.036 ( -2.145 3.535 0.505) 4.166 3.154 ( -3.142 -2.129 2.920) 4.788 3.154 ( -3.142 2.129 2.920) 4.788 3.462 ( 4.078 -1.414 -0.782) 4.386 3.462 ( 4.078 1.414 -0.782) 4.386 3.631 ( 3.154 -5.146 -0.654) 6.071 3.631 ( 3.154 5.146 -0.654) 6.071 3.721 ( 1.649 -2.612 0.926) 3.225 3.721 ( 1.649 2.612 0.926) 3.225 4.047 ( 2.461 -2.402 0.527) 3.479 4.047 ( 2.461 2.402 0.527) 3.479 4.237 ( 3.696 -0.581 0.195) 3.747 4.237 ( 3.696 0.581 0.195) 3.747 4.538 ( -3.944 -0.639 1.141) 4.155 4.538 ( -3.944 0.639 1.141) 4.155 4.839 ( 2.193 -0.830 -0.870) 2.501 4.839 ( 2.193 0.830 -0.870) 2.501 4.955 ( -3.112 -1.542 -0.516) 3.511 4.955 ( -3.112 1.542 -0.516) 3.511 5.309 ( -0.222 -1.603 -0.252) 1.638 5.309 ( -0.222 1.603 -0.252) 1.638 6.412 ( 2.494 -0.151 0.284) 2.515 6.412 ( 2.494 0.151 0.284) 2.515 6.669 ( 2.344 -0.600 -0.740) 2.530 6.669 ( 2.344 0.600 -0.740) 2.530 7.677 ( -6.610 -4.854 4.433) 9.322 7.677 ( -6.610 4.854 4.433) 9.322 8.638 ( 8.808 -2.111 -2.660) 9.440 8.638 ( 8.808 2.111 -2.660) 9.440 13.208 ( -3.176 -0.674 0.589) 3.300 13.208 ( -3.176 0.674 0.589) 3.300 13.550 ( -0.379 -0.946 0.177) 1.034 13.550 ( -0.379 0.946 0.177) 1.034 13.619 ( -3.336 -2.431 0.069) 4.128 13.619 ( -3.336 2.431 0.069) 4.128 13.979 ( -2.734 -1.709 0.150) 3.227 13.979 ( -2.734 1.709 0.150) 3.227 14.294 ( -3.496 -1.722 -1.034) 4.032 14.294 ( -3.496 1.722 -1.034) 4.032 ======================= Grid point 77 (41/96) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -6.676 -2.972 -4.722) 8.701 0.526 ( -6.676 2.972 -4.722) 8.701 0.743 ( -9.365 -4.020 -3.709) 10.845 0.743 ( -9.365 4.020 -3.709) 10.845 1.087 ( -6.262 -7.868 1.570) 10.177 1.087 ( -6.262 7.868 1.570) 10.177 1.377 ( -3.270 -2.569 -0.174) 4.162 1.377 ( -3.270 2.569 -0.174) 4.162 1.539 ( -2.690 -3.169 0.823) 4.237 1.539 ( -2.690 3.169 0.823) 4.237 1.628 ( -5.847 -2.623 0.730) 6.449 1.628 ( -5.847 2.623 0.730) 6.449 1.771 ( 1.018 -5.563 1.012) 5.745 1.771 ( 1.018 5.563 1.012) 5.745 1.867 ( -4.470 -2.718 1.273) 5.385 1.867 ( -4.470 2.718 1.273) 5.385 2.190 ( 1.623 -5.755 -0.806) 6.034 2.190 ( 1.623 5.755 -0.806) 6.034 2.329 ( -2.731 -4.925 0.220) 5.636 2.329 ( -2.731 4.925 0.220) 5.636 2.662 ( -0.361 -5.043 -1.789) 5.363 2.662 ( -0.361 5.043 -1.789) 5.363 2.819 ( 1.175 -7.013 -0.491) 7.128 2.819 ( 1.175 7.013 -0.491) 7.128 2.939 ( 4.212 -3.410 -2.522) 5.978 2.939 ( 4.212 3.410 -2.522) 5.978 2.990 ( -3.166 -2.274 -0.324) 3.911 2.990 ( -3.166 2.274 -0.324) 3.911 3.135 ( -2.970 -3.652 2.924) 5.541 3.135 ( -2.970 3.652 2.924) 5.541 3.497 ( 1.087 -2.852 -0.257) 3.063 3.497 ( 1.087 2.852 -0.257) 3.063 3.674 ( 2.609 -4.192 -0.302) 4.947 3.674 ( 2.609 4.192 -0.302) 4.947 3.779 ( 3.795 -2.653 0.248) 4.637 3.779 ( 3.795 2.653 0.248) 4.637 4.088 ( 2.517 -2.482 -0.035) 3.535 4.088 ( 2.517 2.482 -0.035) 3.535 4.309 ( 3.128 -1.075 0.850) 3.415 4.309 ( 3.128 1.075 0.850) 3.415 4.467 ( -4.947 -0.630 0.474) 5.009 4.467 ( -4.947 0.630 0.474) 5.009 4.845 ( -0.753 -1.390 -0.037) 1.581 4.845 ( -0.753 1.390 -0.037) 1.581 4.940 ( 1.926 -3.057 -0.810) 3.703 4.940 ( 1.926 3.057 -0.810) 3.703 5.299 ( -0.536 -1.705 -0.230) 1.802 5.299 ( -0.536 1.705 -0.230) 1.802 6.449 ( 1.575 -0.452 -0.079) 1.640 6.449 ( 1.575 0.452 -0.079) 1.640 6.703 ( 2.354 -1.129 -0.586) 2.675 6.703 ( 2.354 1.129 -0.586) 2.675 7.546 ( -14.063 -9.778 2.599) 17.324 7.546 ( -14.063 9.778 2.599) 17.324 8.774 ( 9.785 -2.113 -2.267) 10.264 8.774 ( 9.785 2.113 -2.267) 10.264 13.154 ( -3.656 -0.914 0.328) 3.782 13.154 ( -3.656 0.914 0.328) 3.782 13.518 ( -2.705 -2.576 -0.234) 3.742 13.518 ( -2.705 2.576 -0.234) 3.742 13.585 ( -1.105 -0.404 0.598) 1.320 13.585 ( -1.105 0.404 0.598) 1.320 13.921 ( -3.135 -2.139 -0.907) 3.902 13.921 ( -3.135 2.139 -0.907) 3.902 14.215 ( -5.273 -2.713 0.200) 5.933 14.215 ( -5.273 2.713 0.200) 5.933 ======================= Grid point 79 (42/96) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -1.944 -9.810 -4.181) 10.839 0.369 ( -1.944 9.810 -4.181) 10.839 0.629 ( -3.557 -6.519 3.616) 8.260 0.629 ( -3.557 6.519 3.616) 8.260 0.909 ( -17.107 -6.179 3.591) 18.540 0.909 ( -17.107 6.179 3.591) 18.540 1.290 ( -5.649 -14.143 1.154) 15.273 1.290 ( -5.649 14.143 1.154) 15.273 1.484 ( -2.493 -3.926 0.056) 4.651 1.484 ( -2.493 3.926 0.056) 4.651 1.618 ( 3.459 -1.525 -0.003) 3.780 1.618 ( 3.459 1.525 -0.003) 3.780 1.766 ( -2.755 -2.136 -0.212) 3.492 1.766 ( -2.755 2.136 -0.212) 3.492 1.867 ( 0.624 -6.133 3.080) 6.892 1.867 ( 0.624 6.133 3.080) 6.892 2.229 ( 1.500 -5.397 1.003) 5.690 2.229 ( 1.500 5.397 1.003) 5.690 2.324 ( 1.445 -3.090 0.437) 3.439 2.324 ( 1.445 3.090 0.437) 3.439 2.624 ( -1.546 -6.966 -1.159) 7.229 2.624 ( -1.546 6.966 -1.159) 7.229 2.838 ( 0.773 -5.425 -0.557) 5.508 2.838 ( 0.773 5.425 -0.557) 5.508 2.939 ( 0.021 -1.034 -2.383) 2.598 2.939 ( 0.021 1.034 -2.383) 2.598 2.979 ( 3.567 -3.338 -3.042) 5.756 2.979 ( 3.567 3.338 -3.042) 5.756 3.123 ( -2.375 -4.375 3.349) 5.999 3.123 ( -2.375 4.375 3.349) 5.999 3.500 ( -0.268 -3.814 -0.417) 3.846 3.500 ( -0.268 3.814 -0.417) 3.846 3.713 ( 2.179 -3.804 0.091) 4.385 3.713 ( 2.179 3.804 0.091) 4.385 3.847 ( 3.772 -3.049 -0.256) 4.857 3.847 ( 3.772 3.049 -0.256) 4.857 4.139 ( 3.359 -2.377 -0.321) 4.128 4.139 ( 3.359 2.377 -0.321) 4.128 4.333 ( -1.386 -1.081 0.961) 2.003 4.333 ( -1.386 1.081 0.961) 2.003 4.399 ( -3.018 -1.409 -0.379) 3.353 4.399 ( -3.018 1.409 -0.379) 3.353 4.836 ( -0.388 -2.141 0.476) 2.227 4.836 ( -0.388 2.141 0.476) 2.227 4.971 ( 2.114 -2.619 -0.660) 3.430 4.971 ( 2.114 2.619 -0.660) 3.430 5.290 ( 0.101 -1.646 -0.479) 1.718 5.290 ( 0.101 1.646 -0.479) 1.718 6.465 ( 0.706 -0.908 -0.266) 1.181 6.465 ( 0.706 0.908 -0.266) 1.181 6.733 ( 1.478 -1.001 0.020) 1.785 6.733 ( 1.478 1.001 0.020) 1.785 7.258 ( -19.033 -7.299 -0.234) 20.386 7.258 ( -19.033 7.299 -0.234) 20.386 8.911 ( 7.100 -1.524 0.804) 7.306 8.911 ( 7.100 1.524 0.804) 7.306 13.099 ( -2.776 -0.957 0.099) 2.938 13.099 ( -2.776 0.957 0.099) 2.938 13.484 ( -0.299 -2.032 -1.077) 2.319 13.484 ( -0.299 2.032 -1.077) 2.319 13.576 ( -0.811 -0.146 0.616) 1.029 13.576 ( -0.811 0.146 0.616) 1.029 13.869 ( -1.014 -3.365 -1.465) 3.807 13.869 ( -1.014 3.365 -1.465) 3.807 14.109 ( -6.866 -3.093 -0.364) 7.540 14.109 ( -6.866 3.093 -0.364) 7.540 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -4.889 0.000 7.414) 8.881 0.631 ( -17.445 0.000 13.086) 21.808 0.691 ( 5.441 0.000 -1.366) 5.610 0.742 ( 11.057 0.000 12.519) 16.703 0.781 ( -1.009 0.000 8.918) 8.975 0.914 ( -0.020 0.000 4.048) 4.048 1.048 ( -2.556 0.000 1.396) 2.912 1.361 ( 0.735 0.000 -2.728) 2.826 1.466 ( 6.144 0.000 -5.417) 8.191 1.546 ( -2.421 0.000 1.931) 3.097 1.553 ( -2.515 0.000 -2.855) 3.805 1.700 ( -0.509 0.000 0.505) 0.716 1.820 ( -0.822 0.000 -0.033) 0.823 1.839 ( -4.252 0.000 4.962) 6.534 1.984 ( 3.745 0.000 -3.239) 4.951 2.004 ( 2.218 0.000 -1.104) 2.478 2.194 ( -4.887 0.000 1.484) 5.108 2.267 ( 2.248 0.000 -0.745) 2.368 2.433 ( 3.385 0.000 4.309) 5.480 2.435 ( 3.013 0.000 3.874) 4.908 2.626 ( 0.066 0.000 -1.206) 1.208 2.627 ( 0.913 0.000 -2.408) 2.575 2.734 ( -0.274 0.000 -2.632) 2.646 2.749 ( 1.252 0.000 -2.510) 2.805 2.840 ( -1.342 0.000 2.243) 2.614 2.896 ( -1.149 0.000 -0.397) 1.215 2.909 ( -2.220 0.000 1.480) 2.669 3.036 ( -1.893 0.000 -0.108) 1.896 3.093 ( 2.978 0.000 -0.756) 3.073 3.244 ( 3.839 0.000 -5.022) 6.321 3.447 ( 3.660 0.000 1.499) 3.955 3.535 ( -3.560 0.000 -0.516) 3.597 3.649 ( -2.538 0.000 1.030) 2.739 3.732 ( -0.804 0.000 -1.581) 1.774 3.852 ( 1.546 0.000 0.967) 1.823 3.862 ( -1.752 0.000 -0.007) 1.752 4.073 ( -2.395 0.000 1.762) 2.973 4.183 ( 1.430 0.000 -2.211) 2.634 4.309 ( -1.677 0.000 -0.351) 1.713 4.314 ( -0.359 0.000 0.144) 0.386 4.367 ( -0.040 0.000 1.257) 1.258 4.371 ( 1.309 0.000 0.809) 1.539 4.819 ( 0.255 0.000 2.003) 2.019 4.885 ( -1.402 0.000 -0.063) 1.403 4.934 ( 2.917 0.000 0.224) 2.926 5.016 ( -0.802 0.000 -1.370) 1.587 5.234 ( -1.110 0.000 1.058) 1.533 5.304 ( 1.117 0.000 -1.060) 1.540 6.455 ( 0.966 0.000 0.331) 1.021 6.481 ( -0.141 0.000 -0.709) 0.723 6.772 ( 0.360 0.000 0.165) 0.396 6.785 ( 1.055 0.000 -0.298) 1.096 7.042 ( -6.323 0.000 0.120) 6.324 7.057 ( 1.177 0.000 -0.321) 1.220 9.021 ( 0.039 0.000 4.233) 4.233 9.247 ( 3.903 0.000 -2.649) 4.717 13.054 ( 0.882 0.000 0.028) 0.882 13.076 ( -0.350 0.000 -0.436) 0.559 13.354 ( -1.427 0.000 1.467) 2.046 13.450 ( -0.540 0.000 -1.487) 1.581 13.572 ( -0.812 0.000 0.487) 0.947 13.574 ( 0.455 0.000 0.146) 0.478 13.784 ( 0.432 0.000 1.017) 1.105 13.886 ( 4.936 0.000 -3.406) 5.997 13.960 ( -4.838 0.000 -1.626) 5.104 14.001 ( -0.496 0.000 -1.703) 1.774 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( -5.868 0.000 1.379) 6.028 0.648 ( -1.466 0.000 8.743) 8.865 0.831 ( 12.405 0.000 0.034) 12.405 0.903 ( 1.947 0.000 8.653) 8.869 0.982 ( 1.464 0.000 3.645) 3.928 1.094 ( 16.605 0.000 6.198) 17.724 1.169 ( 15.438 0.000 0.372) 15.442 1.254 ( -1.682 0.000 -6.703) 6.911 1.454 ( -3.836 0.000 -4.308) 5.769 1.537 ( 4.002 0.000 -1.359) 4.226 1.577 ( 0.640 0.000 4.264) 4.311 1.689 ( 0.760 0.000 -1.303) 1.508 1.804 ( -4.776 0.000 4.691) 6.694 1.832 ( 1.088 0.000 1.178) 1.604 1.959 ( -2.406 0.000 -1.695) 2.943 2.034 ( 1.468 0.000 -0.021) 1.468 2.124 ( -5.156 0.000 2.481) 5.722 2.273 ( -0.735 0.000 0.366) 0.821 2.532 ( 3.310 0.000 1.054) 3.473 2.538 ( 4.150 0.000 2.533) 4.862 2.605 ( -0.130 0.000 -1.574) 1.580 2.619 ( 1.284 0.000 -1.507) 1.979 2.724 ( 2.145 0.000 -2.663) 3.420 2.724 ( 0.000 0.000 -2.679) 2.679 2.838 ( -3.922 0.000 4.862) 6.247 2.879 ( 0.152 0.000 -0.946) 0.958 2.915 ( 2.598 0.000 -0.247) 2.610 3.000 ( -2.028 0.000 -0.107) 2.030 3.126 ( 1.616 0.000 -0.704) 1.762 3.239 ( 1.925 0.000 -4.722) 5.099 3.474 ( -1.967 0.000 -1.604) 2.537 3.526 ( 2.515 0.000 2.650) 3.654 3.622 ( -2.572 0.000 2.420) 3.531 3.677 ( -3.530 0.000 -1.171) 3.719 3.837 ( -0.582 0.000 -0.456) 0.739 3.882 ( 0.875 0.000 0.476) 0.996 4.027 ( -5.177 0.000 1.823) 5.488 4.163 ( -1.123 0.000 -1.336) 1.745 4.280 ( -1.601 0.000 -0.659) 1.731 4.297 ( -1.591 0.000 0.108) 1.595 4.397 ( 1.966 0.000 0.265) 1.983 4.419 ( 2.911 0.000 1.107) 3.115 4.847 ( -2.236 0.000 -0.969) 2.437 4.855 ( 1.107 0.000 2.300) 2.553 4.977 ( 1.308 0.000 0.861) 1.566 4.983 ( -0.899 0.000 -2.001) 2.194 5.237 ( 0.075 0.000 0.889) 0.892 5.318 ( 1.630 0.000 -0.978) 1.901 6.458 ( -1.340 0.000 -0.878) 1.602 6.466 ( -0.308 0.000 0.171) 0.352 6.763 ( -2.081 0.000 0.370) 2.113 6.767 ( -1.074 0.000 -0.130) 1.082 7.128 ( 12.243 0.000 -3.331) 12.688 7.166 ( 10.511 0.000 0.799) 10.542 8.995 ( -7.890 0.000 3.262) 8.538 9.159 ( -8.652 0.000 -3.313) 9.264 13.091 ( 2.798 0.000 -0.705) 2.885 13.097 ( 3.452 0.000 0.409) 3.476 13.369 ( 1.163 0.000 1.574) 1.957 13.462 ( 3.501 0.000 -0.773) 3.586 13.559 ( -1.143 0.000 -0.085) 1.146 13.578 ( -0.114 0.000 0.441) 0.456 13.846 ( 5.612 0.000 0.273) 5.619 13.937 ( 2.305 0.000 -2.013) 3.060 13.989 ( 8.947 0.000 -1.243) 9.033 13.989 ( 2.738 0.000 -2.389) 3.634 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.243 ( -7.958 0.000 -2.185) 8.252 0.703 ( 1.865 0.000 1.760) 2.565 0.940 ( 0.760 0.000 -3.996) 4.068 1.024 ( 8.591 0.000 -1.964) 8.812 1.087 ( 1.150 0.000 8.661) 8.737 1.114 ( 0.587 0.000 -5.484) 5.515 1.322 ( -2.799 0.000 -3.877) 4.781 1.491 ( 13.589 0.000 -0.680) 13.606 1.513 ( 9.037 0.000 0.842) 9.076 1.570 ( 10.899 0.000 1.603) 11.016 1.632 ( -1.002 0.000 4.703) 4.808 1.742 ( 8.227 0.000 -0.066) 8.228 1.813 ( -0.660 0.000 4.857) 4.902 1.874 ( 2.203 0.000 0.620) 2.288 1.888 ( -3.016 0.000 -0.752) 3.108 2.055 ( 2.064 0.000 -0.288) 2.084 2.070 ( -4.538 0.000 2.169) 5.030 2.264 ( -0.076 0.000 0.063) 0.098 2.555 ( 2.003 0.000 -3.545) 4.071 2.578 ( 1.552 0.000 -2.958) 3.341 2.616 ( -0.902 0.000 2.955) 3.090 2.645 ( 0.649 0.000 1.776) 1.891 2.699 ( -0.058 0.000 -1.515) 1.516 2.740 ( 3.630 0.000 -3.585) 5.102 2.829 ( -2.280 0.000 3.228) 3.951 2.884 ( 1.424 0.000 -1.397) 1.995 2.977 ( 3.772 0.000 0.854) 3.867 2.988 ( 1.136 0.000 1.232) 1.676 3.141 ( 1.236 0.000 -0.473) 1.323 3.205 ( -0.216 0.000 -3.661) 3.668 3.439 ( 0.434 0.000 -2.038) 2.083 3.574 ( -3.114 0.000 1.977) 3.688 3.601 ( -1.836 0.000 0.220) 1.849 3.608 ( -2.189 0.000 1.690) 2.765 3.834 ( 1.082 0.000 -1.055) 1.511 3.891 ( -0.432 0.000 0.384) 0.578 3.938 ( -7.933 0.000 2.403) 8.289 4.118 ( -2.714 0.000 -0.977) 2.884 4.234 ( -2.761 0.000 -0.755) 2.862 4.266 ( -1.871 0.000 -0.236) 1.886 4.432 ( 1.475 0.000 0.680) 1.624 4.497 ( 4.508 0.000 1.466) 4.740 4.800 ( -1.636 0.000 -1.233) 2.049 4.907 ( 2.297 0.000 1.465) 2.724 4.940 ( -0.916 0.000 -2.211) 2.393 4.998 ( 0.029 0.000 1.102) 1.102 5.253 ( 0.589 0.000 0.676) 0.897 5.334 ( 1.428 0.000 -0.932) 1.705 6.421 ( -1.879 0.000 -0.607) 1.975 6.446 ( -1.910 0.000 -0.103) 1.913 6.729 ( -2.800 0.000 -0.615) 2.867 6.730 ( -2.301 0.000 0.103) 2.304 7.308 ( 12.671 0.000 -3.024) 13.027 7.397 ( 12.672 0.000 3.043) 13.033 8.844 ( -11.681 0.000 1.109) 11.733 8.928 ( -12.819 0.000 -3.302) 13.237 13.147 ( 4.204 0.000 -0.492) 4.233 13.168 ( 3.714 0.000 0.827) 3.804 13.425 ( 3.053 0.000 1.605) 3.449 13.535 ( -0.999 0.000 -0.358) 1.061 13.535 ( 4.862 0.000 -1.055) 4.976 13.592 ( 1.600 0.000 0.917) 1.844 13.955 ( 2.307 0.000 1.573) 2.792 13.969 ( 8.320 0.000 -4.034) 9.246 14.004 ( 1.834 0.000 -0.708) 1.967 14.172 ( 12.251 0.000 -1.514) 12.344 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.125 ( -1.897 0.000 2.747) 3.338 0.778 ( 6.500 0.000 -0.530) 6.522 0.898 ( 2.970 0.000 -7.547) 8.111 1.063 ( 5.078 0.000 -4.464) 6.761 1.139 ( 4.555 0.000 -5.161) 6.884 1.140 ( -3.591 0.000 3.532) 5.037 1.287 ( 3.109 0.000 -0.720) 3.191 1.491 ( -3.329 0.000 1.362) 3.597 1.593 ( 2.249 0.000 -0.793) 2.384 1.619 ( -5.107 0.000 1.823) 5.423 1.706 ( -4.854 0.000 0.960) 4.947 1.885 ( 1.713 0.000 -1.582) 2.332 1.888 ( 0.980 0.000 5.118) 5.211 1.897 ( 3.047 0.000 -0.320) 3.064 1.965 ( 3.978 0.000 0.492) 4.009 2.046 ( 7.444 0.000 0.533) 7.463 2.118 ( 3.726 0.000 -0.534) 3.765 2.342 ( 11.489 0.000 -0.727) 11.512 2.544 ( 1.784 0.000 -3.843) 4.237 2.571 ( -0.175 0.000 -1.331) 1.343 2.596 ( -3.068 0.000 1.568) 3.445 2.657 ( -2.805 0.000 3.395) 4.403 2.699 ( 3.578 0.000 -3.291) 4.861 2.762 ( 4.359 0.000 -4.457) 6.235 2.836 ( -0.825 0.000 2.750) 2.871 2.880 ( -0.003 0.000 -0.560) 0.560 3.048 ( 3.438 0.000 0.168) 3.442 3.066 ( 4.606 0.000 0.415) 4.624 3.166 ( 0.219 0.000 -1.253) 1.272 3.171 ( 2.742 0.000 0.357) 2.765 3.444 ( 1.821 0.000 -1.104) 2.129 3.467 ( -8.036 0.000 0.250) 8.040 3.570 ( -2.882 0.000 -1.115) 3.090 3.608 ( -1.168 0.000 1.040) 1.564 3.823 ( -8.856 0.000 4.226) 9.813 3.848 ( 1.963 0.000 -1.068) 2.235 3.877 ( -2.107 0.000 0.844) 2.269 4.053 ( -2.954 0.000 -1.242) 3.204 4.182 ( -2.209 0.000 -0.319) 2.232 4.232 ( -1.557 0.000 -0.547) 1.650 4.461 ( 0.274 0.000 1.717) 1.739 4.597 ( 4.740 0.000 1.688) 5.032 4.750 ( -2.735 0.000 -1.675) 3.207 4.932 ( 2.808 0.000 -1.206) 3.056 4.942 ( -0.216 0.000 0.064) 0.225 5.021 ( 2.179 0.000 0.609) 2.263 5.266 ( 0.132 0.000 0.469) 0.487 5.342 ( 0.756 0.000 -1.020) 1.269 6.386 ( -1.801 0.000 0.194) 1.811 6.405 ( -2.666 0.000 0.066) 2.667 6.666 ( -3.094 0.000 -0.956) 3.238 6.688 ( -2.225 0.000 -0.316) 2.248 7.491 ( 10.436 0.000 0.347) 10.442 7.626 ( 7.864 0.000 4.919) 9.276 8.655 ( -9.699 0.000 -0.799) 9.732 8.687 ( -10.021 0.000 -3.193) 10.517 13.212 ( 3.444 0.000 0.019) 3.444 13.232 ( 2.245 0.000 1.025) 2.468 13.500 ( 3.308 0.000 1.350) 3.572 13.521 ( -0.361 0.000 0.287) 0.461 13.566 ( 0.292 0.000 0.039) 0.294 13.668 ( 5.569 0.000 -0.723) 5.616 13.989 ( 2.307 0.000 -0.290) 2.325 14.027 ( 1.242 0.000 -0.401) 1.306 14.086 ( 7.398 0.000 -1.476) 7.544 14.340 ( 8.888 0.000 -1.932) 9.095 ======================= Grid point 94 (47/96) ======================= q-point: ( 0.44 0.00 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.233 ( 3.694 0.000 7.853) 8.679 0.898 ( 4.200 0.000 -3.740) 5.624 0.898 ( 7.136 0.000 -1.930) 7.392 1.114 ( 3.734 0.000 -3.672) 5.237 1.131 ( 1.424 0.000 1.183) 1.852 1.136 ( 5.895 0.000 -5.999) 8.411 1.317 ( -2.196 0.000 0.571) 2.269 1.434 ( -7.833 0.000 1.432) 7.963 1.516 ( -5.107 0.000 -0.515) 5.133 1.618 ( 4.014 0.000 -2.284) 4.618 1.639 ( -3.159 0.000 2.194) 3.846 1.851 ( -0.480 0.000 -2.641) 2.684 1.890 ( -5.318 0.000 -0.015) 5.318 1.904 ( -0.876 0.000 -2.096) 2.271 1.962 ( -0.376 0.000 3.399) 3.420 2.168 ( 4.737 0.000 -2.253) 5.245 2.224 ( 4.888 0.000 1.399) 5.085 2.426 ( -7.773 0.000 3.216) 8.412 2.537 ( 2.471 0.000 -3.366) 4.176 2.564 ( 2.025 0.000 -2.859) 3.503 2.618 ( 4.582 0.000 -1.234) 4.746 2.636 ( -3.949 0.000 3.561) 5.317 2.738 ( 4.935 0.000 -4.123) 6.431 2.795 ( 4.804 0.000 -2.705) 5.513 2.857 ( -0.311 0.000 2.359) 2.379 2.888 ( 1.891 0.000 -0.630) 1.993 3.080 ( -0.576 0.000 -1.448) 1.558 3.083 ( 1.303 0.000 -1.463) 1.959 3.229 ( 4.175 0.000 1.251) 4.358 3.243 ( 3.718 0.000 1.308) 3.942 3.330 ( -6.879 0.000 0.923) 6.940 3.401 ( -5.736 0.000 -1.695) 5.981 3.553 ( 4.477 0.000 -1.093) 4.609 3.575 ( -2.890 0.000 -0.398) 2.917 3.762 ( -4.727 0.000 5.668) 7.381 3.841 ( -3.271 0.000 1.118) 3.457 3.877 ( 2.495 0.000 -0.556) 2.556 4.007 ( -0.305 0.000 -1.449) 1.480 4.159 ( -0.180 0.000 0.022) 0.182 4.199 ( -1.158 0.000 -1.125) 1.615 4.483 ( -0.155 0.000 2.209) 2.214 4.643 ( -2.343 0.000 -1.481) 2.772 4.725 ( 3.185 0.000 1.717) 3.618 4.910 ( -2.194 0.000 -0.990) 2.407 4.988 ( 3.450 0.000 -0.279) 3.462 5.056 ( 0.457 0.000 -0.597) 0.752 5.270 ( -0.083 0.000 0.426) 0.434 5.337 ( 0.243 0.000 -1.173) 1.198 6.367 ( -0.798 0.000 0.657) 1.034 6.369 ( -1.399 0.000 0.451) 1.470 6.622 ( -0.519 0.000 -0.656) 0.837 6.652 ( -1.224 0.000 -0.680) 1.400 7.668 ( 7.747 0.000 3.317) 8.427 7.752 ( 0.526 0.000 4.363) 4.395 8.519 ( -4.195 0.000 -1.641) 4.504 8.541 ( -2.727 0.000 -2.775) 3.891 13.258 ( 1.364 0.000 0.552) 1.472 13.261 ( -0.167 0.000 0.939) 0.954 13.523 ( 0.385 0.000 0.491) 0.624 13.563 ( -0.557 0.000 0.023) 0.557 13.564 ( 1.531 0.000 1.700) 2.288 13.730 ( 2.900 0.000 -1.765) 3.395 14.022 ( 1.227 0.000 -0.058) 1.228 14.030 ( -0.394 0.000 -0.400) 0.561 14.185 ( 5.515 0.000 -0.150) 5.517 14.416 ( 3.394 0.000 -3.392) 4.799 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 3.714 0.000 8.533) 9.306 0.889 ( 0.645 0.000 -9.077) 9.100 0.905 ( -2.476 0.000 0.362) 2.503 1.103 ( -3.516 0.000 -6.708) 7.574 1.197 ( -8.445 0.000 -1.611) 8.597 1.228 ( -6.160 0.000 1.622) 6.370 1.245 ( 5.057 0.000 -1.522) 5.282 1.249 ( 8.070 0.000 1.831) 8.275 1.506 ( 2.535 0.000 1.038) 2.740 1.656 ( 0.830 0.000 2.997) 3.110 1.691 ( 7.317 0.000 -2.574) 7.757 1.783 ( -6.149 0.000 -0.335) 6.158 1.800 ( -2.066 0.000 -3.728) 4.262 1.881 ( 0.980 0.000 -0.265) 1.015 1.980 ( -1.859 0.000 2.970) 3.504 2.202 ( 0.767 0.000 -2.885) 2.985 2.213 ( -9.097 0.000 3.232) 9.654 2.304 ( -7.680 0.000 3.129) 8.293 2.482 ( -8.754 0.000 -3.914) 9.589 2.537 ( -0.436 0.000 -2.111) 2.156 2.608 ( -3.363 0.000 2.889) 4.434 2.617 ( -0.435 0.000 -1.681) 1.736 2.750 ( 1.955 0.000 -3.643) 4.135 2.869 ( 4.233 0.000 0.438) 4.255 2.871 ( -0.536 0.000 1.873) 1.949 2.917 ( 2.815 0.000 -2.363) 3.675 3.056 ( -0.601 0.000 -0.952) 1.126 3.066 ( -0.417 0.000 -2.120) 2.160 3.200 ( -4.807 0.000 1.982) 5.199 3.236 ( -5.666 0.000 1.960) 5.995 3.385 ( 7.235 0.000 0.901) 7.291 3.390 ( 6.960 0.000 -2.137) 7.281 3.510 ( -3.228 0.000 -1.269) 3.468 3.641 ( 5.288 0.000 -0.055) 5.288 3.774 ( -1.689 0.000 5.166) 5.435 3.801 ( -2.043 0.000 1.103) 2.322 3.914 ( 2.055 0.000 -0.342) 2.083 4.014 ( 3.196 0.000 -1.954) 3.746 4.174 ( 0.088 0.000 -1.142) 1.146 4.176 ( 2.157 0.000 0.024) 2.158 4.510 ( 0.181 0.000 2.612) 2.619 4.572 ( -3.267 0.000 -0.900) 3.389 4.819 ( 4.263 0.000 1.914) 4.673 4.858 ( -1.532 0.000 -2.223) 2.700 5.003 ( -5.104 0.000 -1.119) 5.225 5.014 ( -0.594 0.000 0.400) 0.716 5.276 ( 0.020 0.000 0.557) 0.557 5.329 ( 0.527 0.000 -1.293) 1.396 6.375 ( 1.298 0.000 0.525) 1.400 6.379 ( 1.459 0.000 0.412) 1.516 6.632 ( 0.004 0.000 -1.062) 1.062 6.634 ( 2.184 0.000 -0.243) 2.197 7.741 ( -6.025 0.000 2.191) 6.411 7.825 ( 5.508 0.000 4.212) 6.934 8.483 ( 2.224 0.000 -1.577) 2.726 8.534 ( 5.106 0.000 -2.533) 5.700 13.246 ( -2.622 0.000 0.685) 2.710 13.268 ( -1.230 0.000 0.925) 1.539 13.535 ( -0.420 0.000 0.931) 1.022 13.553 ( -0.347 0.000 -0.264) 0.436 13.590 ( -0.319 0.000 1.561) 1.593 13.724 ( -0.967 0.000 -2.243) 2.442 14.005 ( -1.843 0.000 -0.564) 1.928 14.016 ( -1.787 0.000 -0.395) 1.830 14.280 ( 4.632 0.000 1.676) 4.926 14.384 ( -1.563 0.000 -4.604) 4.862 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 2.601 0.000 8.101) 8.509 0.782 ( 0.424 0.000 -11.170) 11.178 0.803 ( -9.529 0.000 0.076) 9.529 0.824 ( -15.530 0.000 -7.630) 17.303 1.006 ( -8.767 0.000 -2.689) 9.171 1.119 ( -0.613 0.000 -2.187) 2.271 1.430 ( 6.764 0.000 4.213) 7.968 1.448 ( 9.176 0.000 3.088) 9.681 1.552 ( 1.103 0.000 -2.255) 2.510 1.673 ( -2.646 0.000 3.043) 4.033 1.706 ( -3.979 0.000 -2.861) 4.901 1.741 ( -0.510 0.000 3.305) 3.344 1.813 ( 10.044 0.000 -3.143) 10.524 1.887 ( -3.659 0.000 2.499) 4.431 1.954 ( -12.244 0.000 2.073) 12.418 2.006 ( -12.216 0.000 7.380) 14.272 2.132 ( -7.840 0.000 2.279) 8.164 2.189 ( -10.338 0.000 -3.919) 11.056 2.290 ( -1.791 0.000 -1.570) 2.382 2.470 ( -3.476 0.000 -1.595) 3.825 2.593 ( -1.619 0.000 2.109) 2.659 2.605 ( 1.045 0.000 -1.712) 2.006 2.757 ( 2.760 0.000 -2.587) 3.782 2.891 ( -0.099 0.000 2.356) 2.358 2.892 ( -1.523 0.000 0.451) 1.588 2.973 ( 4.007 0.000 0.023) 4.007 3.026 ( -1.026 0.000 -3.335) 3.489 3.035 ( 1.504 0.000 -3.069) 3.417 3.158 ( -2.737 0.000 1.533) 3.137 3.168 ( -4.388 0.000 1.146) 4.535 3.434 ( -3.036 0.000 -0.765) 3.131 3.486 ( 5.125 0.000 -0.354) 5.137 3.531 ( 7.776 0.000 -0.148) 7.778 3.696 ( -0.098 0.000 0.958) 0.963 3.779 ( 0.857 0.000 -0.198) 0.879 3.852 ( 2.801 0.000 4.298) 5.130 3.931 ( 0.319 0.000 -0.531) 0.619 4.059 ( 4.658 0.000 -2.475) 5.275 4.188 ( 2.473 0.000 -0.356) 2.499 4.229 ( 3.811 0.000 -0.155) 3.814 4.516 ( -3.181 0.000 0.387) 3.205 4.535 ( -1.691 0.000 2.858) 3.321 4.817 ( 0.612 0.000 -3.308) 3.364 4.889 ( -6.049 0.000 -0.389) 6.061 4.893 ( 1.527 0.000 1.615) 2.223 5.001 ( -0.412 0.000 0.560) 0.695 5.277 ( -0.815 0.000 0.763) 1.116 5.325 ( 0.563 0.000 -1.261) 1.380 6.411 ( 1.880 0.000 0.104) 1.883 6.418 ( 2.473 0.000 -0.056) 2.474 6.634 ( 1.623 0.000 -0.690) 1.763 6.679 ( 2.983 0.000 -0.232) 2.992 7.602 ( -11.350 0.000 -0.153) 11.351 7.944 ( 4.144 0.000 1.584) 4.436 8.559 ( 7.851 0.000 -0.537) 7.870 8.635 ( 9.367 0.000 -2.799) 9.776 13.192 ( -4.106 0.000 0.368) 4.122 13.237 ( -3.518 0.000 0.998) 3.657 13.511 ( -3.760 0.000 1.207) 3.949 13.548 ( 0.205 0.000 -0.398) 0.447 13.602 ( -0.159 0.000 1.283) 1.293 13.655 ( -3.599 0.000 -2.240) 4.239 13.957 ( -4.607 0.000 0.088) 4.608 13.960 ( -2.186 0.000 -1.075) 2.436 14.276 ( -4.452 0.000 -4.671) 6.453 14.374 ( 4.193 0.000 0.939) 4.297 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -14.026 0.000 -1.269) 14.083 0.582 ( -7.768 0.000 -0.413) 7.779 0.674 ( 1.397 0.000 -10.261) 10.356 0.675 ( -4.619 0.000 7.470) 8.783 0.879 ( -4.943 0.000 2.529) 5.552 1.147 ( 5.545 0.000 -0.960) 5.628 1.455 ( -21.635 0.000 4.243) 22.047 1.511 ( -5.873 0.000 -2.915) 6.557 1.514 ( -7.503 0.000 2.823) 8.016 1.606 ( -2.726 0.000 0.193) 2.733 1.633 ( -0.465 0.000 2.000) 2.053 1.715 ( 0.535 0.000 5.299) 5.326 1.761 ( -9.127 0.000 -0.735) 9.156 1.818 ( -2.747 0.000 5.320) 5.988 1.911 ( -3.350 0.000 -1.181) 3.552 1.976 ( 2.751 0.000 0.546) 2.805 2.056 ( 3.831 0.000 5.532) 6.729 2.141 ( 3.101 0.000 -3.639) 4.781 2.294 ( 0.908 0.000 2.693) 2.842 2.402 ( -3.066 0.000 -0.567) 3.118 2.603 ( 0.536 0.000 1.322) 1.426 2.609 ( 1.328 0.000 -1.243) 1.819 2.764 ( 0.769 0.000 -2.065) 2.204 2.857 ( -1.878 0.000 -1.506) 2.408 2.912 ( -1.972 0.000 3.466) 3.988 2.951 ( -2.174 0.000 -3.944) 4.503 2.967 ( -2.909 0.000 0.425) 2.940 3.071 ( 0.957 0.000 0.695) 1.183 3.112 ( -2.529 0.000 -0.419) 2.563 3.157 ( 4.986 0.000 -3.460) 6.069 3.383 ( -1.698 0.000 -0.288) 1.723 3.554 ( 2.367 0.000 1.337) 2.718 3.653 ( 6.496 0.000 -0.509) 6.516 3.682 ( -2.008 0.000 0.861) 2.185 3.796 ( 1.230 0.000 -0.317) 1.270 3.916 ( -1.172 0.000 -0.277) 1.204 3.961 ( 4.148 0.000 3.542) 5.454 4.112 ( 4.603 0.000 -2.340) 5.164 4.239 ( 3.580 0.000 -0.240) 3.588 4.288 ( 3.263 0.000 -0.599) 3.317 4.466 ( -3.671 0.000 0.821) 3.762 4.492 ( -6.178 0.000 1.744) 6.420 4.814 ( -0.395 0.000 -0.920) 1.001 4.823 ( 1.392 0.000 -0.614) 1.522 4.909 ( -0.584 0.000 0.960) 1.124 5.021 ( 1.446 0.000 0.265) 1.470 5.266 ( -1.579 0.000 0.983) 1.860 5.318 ( 0.245 0.000 -1.262) 1.286 6.431 ( 0.767 0.000 -0.420) 0.874 6.455 ( 2.086 0.000 -0.384) 2.121 6.673 ( 2.806 0.000 0.577) 2.864 6.723 ( 2.410 0.000 -0.186) 2.417 7.369 ( -13.800 0.000 -1.534) 13.885 7.935 ( -3.298 0.000 -10.982) 11.466 8.724 ( 10.175 0.000 1.420) 10.274 8.790 ( 11.414 0.000 0.790) 11.441 13.123 ( -4.000 0.000 0.091) 4.001 13.176 ( -4.495 0.000 0.709) 4.550 13.447 ( -4.977 0.000 1.320) 5.149 13.544 ( -1.117 0.000 -0.557) 1.249 13.574 ( -1.882 0.000 -1.781) 2.591 13.604 ( -1.268 0.000 0.907) 1.559 13.873 ( -5.512 0.000 0.904) 5.586 13.913 ( -1.066 0.000 -2.041) 2.303 14.147 ( -4.607 0.000 -3.681) 5.897 14.406 ( 0.611 0.000 -5.660) 5.693 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( -9.922 0.000 6.729) 11.989 0.456 ( 2.905 0.000 12.807) 13.133 0.636 ( 3.761 0.000 -3.720) 5.289 0.713 ( -0.718 0.000 6.301) 6.342 0.880 ( -1.986 0.000 5.770) 6.102 0.981 ( -33.555 0.000 9.242) 34.804 1.240 ( -19.642 0.000 1.892) 19.733 1.271 ( 7.739 0.000 -0.290) 7.744 1.466 ( 1.798 0.000 -4.154) 4.527 1.600 ( -0.121 0.000 -1.800) 1.804 1.613 ( -2.923 0.000 -2.116) 3.609 1.693 ( -0.965 0.000 1.643) 1.906 1.807 ( 0.827 0.000 6.531) 6.583 1.852 ( -2.432 0.000 -0.005) 2.432 1.884 ( 5.559 0.000 2.762) 6.207 2.000 ( 1.893 0.000 -3.926) 4.359 2.193 ( 2.999 0.000 4.072) 5.058 2.203 ( 5.435 0.000 -0.256) 5.441 2.356 ( 1.468 0.000 3.770) 4.046 2.366 ( -1.257 0.000 2.630) 2.915 2.622 ( 1.373 0.000 -0.738) 1.558 2.632 ( 1.420 0.000 -0.586) 1.536 2.742 ( 0.413 0.000 -1.751) 1.799 2.793 ( -2.427 0.000 -2.806) 3.710 2.858 ( -2.499 0.000 -0.674) 2.589 2.925 ( -2.116 0.000 0.118) 2.120 2.929 ( -2.543 0.000 2.947) 3.892 3.064 ( -1.869 0.000 0.882) 2.067 3.077 ( -0.158 0.000 -1.297) 1.307 3.218 ( 6.270 0.000 -5.235) 8.168 3.384 ( 1.697 0.000 0.731) 1.848 3.586 ( -1.251 0.000 0.793) 1.481 3.662 ( -0.287 0.000 0.043) 0.290 3.729 ( 3.266 0.000 -1.279) 3.507 3.818 ( 1.100 0.000 0.823) 1.374 3.891 ( -1.696 0.000 0.161) 1.704 4.053 ( 1.986 0.000 2.624) 3.291 4.160 ( 3.907 0.000 -2.293) 4.530 4.293 ( 2.802 0.000 -0.395) 2.830 4.324 ( 1.816 0.000 -0.846) 2.003 4.398 ( -4.669 0.000 -0.213) 4.674 4.401 ( -5.549 0.000 1.580) 5.769 4.803 ( -0.527 0.000 1.228) 1.337 4.875 ( 4.029 0.000 -0.557) 4.067 4.903 ( -1.026 0.000 0.360) 1.087 5.035 ( 0.100 0.000 -0.525) 0.534 5.248 ( -1.782 0.000 1.097) 2.093 5.307 ( 0.238 0.000 -1.283) 1.305 6.438 ( 0.727 0.000 -0.136) 0.740 6.478 ( 1.194 0.000 -0.538) 1.310 6.733 ( 2.828 0.000 1.224) 3.081 6.755 ( 1.390 0.000 0.067) 1.392 7.141 ( -9.498 0.000 -1.261) 9.582 7.479 ( -27.299 0.000 -16.550) 31.924 8.909 ( 7.336 0.000 3.411) 8.090 9.063 ( 15.614 0.000 2.761) 15.857 13.068 ( -2.202 0.000 -0.104) 2.204 13.111 ( -3.348 0.000 0.149) 3.351 13.384 ( -3.835 0.000 1.387) 4.078 13.493 ( -1.819 0.000 -1.708) 2.495 13.564 ( 0.689 0.000 -0.546) 0.880 13.585 ( -1.538 0.000 0.592) 1.648 13.803 ( -3.826 0.000 1.392) 4.072 13.880 ( 0.789 0.000 -3.091) 3.190 14.049 ( -2.602 0.000 -2.432) 3.562 14.201 ( -12.635 0.000 -10.069) 16.156 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 6.711 1.597 9.727) 11.925 0.632 ( 1.261 -4.519 6.310) 7.864 0.708 ( -11.511 4.260 6.182) 13.742 0.736 ( 2.385 3.270 6.291) 7.481 0.855 ( -1.067 -4.314 2.193) 4.956 0.962 ( -4.022 1.829 3.327) 5.531 1.001 ( 2.847 5.451 6.464) 8.923 1.365 ( -1.628 -1.259 -3.613) 4.158 1.452 ( 4.958 -0.963 -2.045) 5.449 1.512 ( 0.124 -2.180 0.487) 2.237 1.575 ( -3.652 1.551 -0.907) 4.070 1.696 ( 0.163 -0.858 -0.838) 1.210 1.790 ( -0.924 -2.444 1.535) 3.031 1.857 ( 0.981 -1.971 3.529) 4.159 1.896 ( -0.520 -0.966 0.654) 1.277 2.037 ( 0.731 -0.381 -0.284) 0.872 2.206 ( -3.298 2.049 2.204) 4.465 2.272 ( 1.838 1.066 -0.353) 2.154 2.389 ( 2.845 -2.896 2.838) 4.953 2.439 ( -1.418 -2.537 2.060) 3.562 2.551 ( 2.278 -0.346 0.575) 2.375 2.662 ( 1.510 -2.109 -3.621) 4.454 2.740 ( 0.776 3.784 -1.582) 4.174 2.798 ( 0.202 0.999 -2.913) 3.087 2.852 ( 1.158 0.470 0.529) 1.357 2.866 ( -2.421 0.654 1.469) 2.906 2.943 ( -0.570 0.845 -0.903) 1.362 3.044 ( 2.597 -3.225 -1.875) 4.546 3.095 ( -0.936 3.442 0.948) 3.691 3.242 ( 0.143 -2.132 -1.719) 2.743 3.404 ( 2.295 -0.105 0.855) 2.451 3.515 ( -1.927 -2.383 -1.549) 3.434 3.705 ( 0.338 4.117 1.113) 4.278 3.764 ( -0.822 2.408 -1.380) 2.895 3.840 ( 1.264 -1.117 0.750) 1.846 3.861 ( -1.704 -0.527 -1.205) 2.152 4.100 ( -1.747 2.251 0.497) 2.892 4.171 ( 1.197 -1.163 -1.937) 2.557 4.311 ( -1.238 0.404 0.240) 1.324 4.322 ( -1.875 0.385 -0.054) 1.915 4.368 ( 0.465 0.130 1.033) 1.141 4.372 ( 1.127 0.088 0.699) 1.329 4.834 ( 0.029 1.197 1.682) 2.065 4.877 ( -1.069 -0.779 0.358) 1.370 4.944 ( 2.229 1.037 -0.307) 2.477 5.002 ( -0.287 -1.283 -1.236) 1.805 5.249 ( -0.574 1.248 0.352) 1.418 5.296 ( 0.914 -0.806 -0.925) 1.530 6.459 ( 0.781 0.360 0.192) 0.882 6.477 ( 0.012 -0.362 -0.547) 0.657 6.770 ( 0.414 -0.182 0.225) 0.505 6.775 ( 0.837 -0.670 0.206) 1.091 7.043 ( -4.524 0.142 0.132) 4.528 7.054 ( 0.436 -0.258 -0.218) 0.552 9.036 ( 0.351 1.616 3.876) 4.214 9.180 ( 2.849 -5.307 0.479) 6.042 13.059 ( 0.691 0.468 -0.045) 0.836 13.077 ( -0.370 -0.056 -0.443) 0.580 13.386 ( -0.632 2.466 -0.300) 2.563 13.447 ( -0.475 -0.435 -1.599) 1.723 13.573 ( -0.086 0.236 0.235) 0.344 13.578 ( -0.360 0.187 0.299) 0.504 13.797 ( 1.029 1.397 0.463) 1.796 13.871 ( 3.660 -1.495 -2.543) 4.701 13.966 ( -3.225 0.621 -1.835) 3.762 13.995 ( -0.898 -0.568 -1.860) 2.142 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( -2.669 10.533 0.895) 10.903 0.669 ( -1.388 2.015 5.545) 6.061 0.796 ( 8.187 -3.491 2.042) 9.131 0.842 ( 4.069 -5.460 3.692) 7.746 0.967 ( 7.512 0.400 5.968) 9.602 1.079 ( 13.351 -4.381 3.675) 14.524 1.166 ( 8.490 3.317 2.721) 9.512 1.277 ( 0.924 -0.277 -5.474) 5.558 1.467 ( -2.164 1.795 -3.541) 4.522 1.522 ( 2.223 -1.193 0.024) 2.523 1.574 ( 1.263 0.019 3.992) 4.187 1.691 ( 2.218 -1.607 -2.189) 3.506 1.779 ( -2.529 -1.506 2.025) 3.573 1.863 ( -2.921 2.192 3.687) 5.190 1.914 ( 0.112 -1.774 0.674) 1.901 2.043 ( 0.691 -0.446 -0.227) 0.854 2.164 ( -4.017 3.845 2.528) 6.108 2.293 ( 0.158 2.241 0.304) 2.267 2.425 ( -0.384 -7.667 -0.021) 7.677 2.462 ( 1.347 -5.493 2.113) 6.037 2.615 ( 3.775 1.751 0.942) 4.267 2.671 ( 4.573 0.390 -4.233) 6.244 2.731 ( 0.178 3.165 -1.266) 3.414 2.778 ( 1.523 0.871 -3.217) 3.664 2.836 ( -3.213 2.107 2.511) 4.590 2.896 ( 1.316 1.306 1.162) 2.188 2.920 ( 0.650 0.107 -0.726) 0.981 3.045 ( -0.000 0.998 -1.294) 1.634 3.090 ( -0.589 -1.110 0.129) 1.264 3.217 ( -0.812 -2.050 -1.498) 2.666 3.451 ( 0.656 -1.316 -0.203) 1.484 3.481 ( 1.148 -2.298 -0.472) 2.612 3.703 ( -3.912 3.889 0.161) 5.519 3.715 ( -1.592 4.507 0.385) 4.795 3.815 ( -1.833 -2.074 -0.530) 2.819 3.863 ( 0.555 -1.928 0.479) 2.062 4.058 ( -3.978 2.668 0.945) 4.882 4.150 ( -1.277 -1.332 -1.172) 2.186 4.286 ( -1.766 0.421 -0.193) 1.826 4.297 ( -1.588 -0.102 0.086) 1.593 4.403 ( 2.269 0.503 0.234) 2.336 4.419 ( 2.935 -0.062 0.881) 3.065 4.849 ( -1.349 0.384 0.015) 1.403 4.861 ( 0.251 0.310 1.384) 1.441 4.971 ( 0.790 -0.432 0.248) 0.934 4.978 ( -0.629 -0.507 -1.540) 1.739 5.251 ( 0.311 1.309 0.430) 1.412 5.307 ( 1.418 -1.020 -0.815) 1.927 6.460 ( -1.163 0.133 -0.713) 1.370 6.465 ( -0.417 -0.083 0.036) 0.427 6.762 ( -1.636 -0.049 0.215) 1.650 6.767 ( -1.210 -0.113 -0.040) 1.216 7.128 ( 11.541 0.184 -2.286) 11.766 7.157 ( 10.438 -0.848 0.415) 10.481 9.009 ( -7.729 1.457 2.665) 8.304 9.121 ( -8.106 -3.381 -1.580) 8.924 13.094 ( 2.890 0.223 -0.400) 2.926 13.098 ( 3.306 0.067 0.141) 3.310 13.393 ( 1.416 2.000 0.572) 2.516 13.455 ( 3.111 -0.747 -0.760) 3.289 13.565 ( -0.865 0.591 -0.063) 1.049 13.579 ( -0.096 0.033 0.345) 0.360 13.856 ( 5.068 1.050 0.066) 5.176 13.918 ( 2.783 -1.628 -1.338) 3.491 13.987 ( 3.880 -0.143 -2.479) 4.607 13.989 ( 6.978 -0.084 -1.366) 7.111 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( -4.811 11.914 -3.650) 13.357 0.690 ( 2.194 -1.604 -1.914) 3.324 0.883 ( 3.406 -3.605 -2.169) 5.413 0.971 ( 4.580 -4.185 1.161) 6.312 1.117 ( 0.939 1.298 6.911) 7.094 1.136 ( -0.754 1.444 -3.793) 4.128 1.366 ( 3.295 4.028 -2.001) 5.575 1.439 ( 10.247 -2.385 -0.367) 10.527 1.472 ( 9.193 -3.425 -0.380) 9.818 1.564 ( 7.512 -2.166 0.711) 7.850 1.645 ( 0.430 1.216 4.303) 4.492 1.746 ( 6.120 -1.909 -0.794) 6.460 1.802 ( 3.619 -0.824 2.449) 4.447 1.836 ( -1.070 -0.382 1.453) 1.844 1.926 ( -0.796 3.142 2.351) 4.004 2.048 ( -0.153 -0.748 -0.040) 0.765 2.134 ( -1.831 5.375 1.528) 5.880 2.286 ( -0.551 2.004 0.102) 2.081 2.428 ( 2.253 -7.130 -2.161) 7.783 2.492 ( 0.349 -7.096 1.396) 7.241 2.679 ( 2.455 3.296 -0.070) 4.110 2.700 ( 2.930 3.133 -3.704) 5.668 2.724 ( 0.220 2.158 0.491) 2.224 2.765 ( 1.115 0.185 -3.412) 3.595 2.822 ( -1.533 1.760 2.282) 3.264 2.914 ( 2.628 1.101 -1.221) 3.100 2.975 ( 3.663 -0.117 0.945) 3.785 3.035 ( -1.252 4.421 1.953) 4.993 3.082 ( 1.328 -5.324 -1.885) 5.802 3.184 ( -1.447 -1.777 -0.540) 2.355 3.438 ( 0.966 0.123 -2.102) 2.316 3.520 ( 1.399 -3.719 0.836) 4.061 3.613 ( -5.979 2.732 -0.108) 6.575 3.681 ( -4.257 2.866 1.250) 5.282 3.793 ( -0.550 -1.977 -0.022) 2.052 3.868 ( -0.602 -2.212 0.394) 2.326 3.991 ( -4.943 3.877 1.174) 6.391 4.105 ( -2.714 -1.348 -0.600) 3.089 4.243 ( -2.788 0.767 -0.432) 2.923 4.265 ( -1.998 -0.191 -0.192) 2.016 4.444 ( 2.040 1.136 0.453) 2.379 4.492 ( 4.222 -0.600 1.121) 4.409 4.819 ( -1.136 1.811 -0.798) 2.282 4.895 ( 1.570 -1.196 0.849) 2.149 4.943 ( -0.583 0.327 -1.595) 1.729 4.983 ( -0.023 -1.347 0.708) 1.522 5.265 ( 0.690 1.206 0.382) 1.441 5.323 ( 1.298 -1.105 -0.742) 1.859 6.426 ( -1.847 0.461 -0.518) 1.973 6.444 ( -1.848 -0.252 -0.153) 1.872 6.728 ( -2.525 -0.048 -0.275) 2.541 6.730 ( -2.592 -0.047 -0.297) 2.609 7.316 ( 12.606 0.855 -1.981) 12.789 7.379 ( 12.610 -1.637 2.233) 12.910 8.853 ( -11.613 0.906 0.549) 11.661 8.911 ( -12.386 -1.488 -2.507) 12.724 13.152 ( 4.048 0.452 -0.184) 4.078 13.167 ( 3.766 -0.150 0.678) 3.829 13.446 ( 3.585 1.997 1.019) 4.229 13.524 ( 4.905 -1.119 -0.745) 5.086 13.547 ( -0.760 0.997 -0.393) 1.314 13.586 ( 0.746 -0.559 0.674) 1.150 13.943 ( 3.452 -0.928 0.857) 3.676 13.948 ( 3.434 -1.124 -2.052) 4.155 14.041 ( 6.158 2.761 -1.581) 6.932 14.151 ( 11.433 -2.063 -1.660) 11.736 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( 0.459 13.650 -1.469) 13.737 0.734 ( 6.554 -4.639 -3.156) 8.628 0.900 ( 4.557 -0.137 -5.350) 7.029 0.988 ( 0.413 -6.383 -3.275) 7.186 1.115 ( 3.924 3.255 -3.584) 6.232 1.199 ( -0.411 0.935 4.854) 4.960 1.359 ( 2.746 5.318 -3.995) 7.196 1.467 ( -3.165 -2.154 1.267) 4.033 1.547 ( 1.663 -2.646 -0.076) 3.126 1.636 ( -4.639 0.303 0.306) 4.659 1.684 ( -2.159 -1.552 2.474) 3.632 1.791 ( 3.632 -6.130 0.353) 7.134 1.903 ( -0.713 2.283 0.086) 2.393 1.947 ( 1.056 3.043 2.693) 4.198 1.978 ( 8.636 -1.500 0.313) 8.771 2.034 ( -1.969 -0.425 1.635) 2.595 2.161 ( 5.456 4.318 -1.373) 7.092 2.344 ( 9.921 -0.830 -1.827) 10.122 2.455 ( 3.861 -3.784 -1.574) 5.631 2.521 ( 1.543 -3.966 1.241) 4.432 2.678 ( -1.175 3.443 -0.745) 3.714 2.702 ( -1.195 4.028 0.673) 4.255 2.724 ( 1.506 1.299 -3.633) 4.142 2.768 ( 4.291 0.919 -3.245) 5.458 2.833 ( -0.106 0.653 1.814) 1.930 2.936 ( 0.674 3.644 -0.105) 3.707 3.033 ( 0.050 -2.583 -0.529) 2.638 3.054 ( 3.907 -0.543 -0.526) 3.979 3.123 ( 4.309 -1.417 0.960) 4.636 3.175 ( 0.661 -0.987 1.497) 1.911 3.438 ( -0.480 -0.064 -0.786) 0.923 3.498 ( -5.088 2.260 -1.165) 5.688 3.540 ( -0.101 -3.350 0.096) 3.353 3.588 ( -7.067 -1.307 -0.487) 7.204 3.786 ( -1.772 -0.351 2.023) 2.712 3.852 ( -1.946 -2.136 0.684) 2.969 3.929 ( -3.230 4.594 0.961) 5.697 4.047 ( -3.145 -0.975 -0.431) 3.320 4.192 ( -2.320 0.959 -0.242) 2.522 4.228 ( -1.771 -0.465 -0.427) 1.880 4.481 ( 1.041 1.953 1.358) 2.597 4.579 ( 4.040 -1.825 1.320) 4.625 4.781 ( -2.288 2.947 -1.296) 3.949 4.911 ( -0.027 -2.248 -0.483) 2.299 4.949 ( 2.424 0.871 -0.607) 2.647 5.006 ( 2.518 -1.400 0.401) 2.908 5.278 ( 0.234 1.102 0.246) 1.153 5.331 ( 0.674 -1.055 -0.813) 1.492 6.390 ( -1.945 0.395 0.165) 1.992 6.404 ( -2.547 -0.105 0.096) 2.551 6.668 ( -2.961 0.245 -0.861) 3.093 6.684 ( -2.347 -0.381 -0.406) 2.412 7.506 ( 10.077 1.542 1.029) 10.246 7.602 ( 8.273 -2.287 4.231) 9.570 8.660 ( -9.622 0.455 -1.176) 9.704 8.682 ( -9.838 -0.458 -2.853) 10.254 13.216 ( 3.109 0.409 0.357) 3.156 13.231 ( 2.384 -0.125 0.970) 2.577 13.525 ( 3.624 2.091 1.084) 4.322 13.531 ( -0.230 1.321 -0.079) 1.343 13.562 ( 0.255 -0.459 0.087) 0.532 13.647 ( 5.200 -2.147 -0.661) 5.664 13.983 ( 2.317 -0.526 -0.225) 2.387 13.999 ( 2.223 -1.574 0.391) 2.752 14.138 ( 6.770 4.075 -2.036) 8.160 14.307 ( 8.572 -3.225 -2.150) 9.407 ======================= Grid point 103 (56/96) ======================= q-point: ( 0.44 0.25 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 2.934 11.401 2.580) 12.052 0.823 ( 5.605 -7.609 -2.910) 9.888 0.921 ( 3.551 1.036 -4.487) 5.815 1.004 ( 8.178 -3.924 -2.018) 9.293 1.164 ( 5.256 2.825 -4.231) 7.315 1.215 ( -1.064 2.415 2.378) 3.553 1.343 ( -1.850 2.244 -2.498) 3.834 1.419 ( -5.227 -1.286 1.272) 5.531 1.514 ( -6.185 -0.377 -1.664) 6.416 1.555 ( 0.486 -4.714 -1.099) 4.865 1.669 ( -1.696 2.845 2.740) 4.298 1.828 ( -0.374 -3.977 -1.007) 4.119 1.873 ( -0.468 1.146 -1.068) 1.635 1.928 ( -3.796 1.287 1.030) 4.139 1.985 ( -2.224 1.002 0.545) 2.499 2.071 ( 0.767 -5.914 0.828) 6.021 2.253 ( 4.416 2.394 -1.451) 5.229 2.429 ( 3.037 -4.926 -3.829) 6.939 2.521 ( -1.844 4.848 2.573) 5.790 2.596 ( 4.954 0.404 0.568) 5.002 2.647 ( -0.670 1.798 -1.342) 2.341 2.664 ( -0.220 1.524 -2.068) 2.579 2.743 ( 4.004 1.836 -2.885) 5.266 2.811 ( 4.111 1.025 -2.195) 4.771 2.848 ( -0.277 -0.315 0.941) 1.030 2.945 ( -0.325 5.039 1.128) 5.174 3.019 ( 0.052 -5.004 -1.649) 5.269 3.087 ( 1.439 -0.409 -1.144) 1.883 3.229 ( 4.583 -0.076 1.784) 4.918 3.239 ( 4.126 -0.513 1.653) 4.474 3.329 ( -8.336 0.435 0.907) 8.397 3.420 ( -6.097 0.727 -1.212) 6.259 3.503 ( -0.748 -4.003 -0.551) 4.110 3.546 ( 3.428 -1.605 -1.907) 4.238 3.775 ( -3.266 0.811 3.796) 5.073 3.820 ( -3.105 -1.653 1.354) 3.769 3.916 ( 0.879 3.150 0.258) 3.280 4.004 ( -0.639 -0.610 -0.673) 1.110 4.167 ( -0.289 0.798 -0.027) 0.849 4.197 ( -1.025 -0.326 -0.839) 1.364 4.511 ( 0.478 2.763 1.967) 3.425 4.636 ( 0.135 -1.604 0.238) 1.627 4.739 ( 0.405 2.303 -0.057) 2.339 4.881 ( -1.915 -2.841 -1.144) 3.612 5.001 ( 3.013 1.126 -0.245) 3.226 5.047 ( 0.993 -0.820 -0.462) 1.369 5.280 ( -0.029 1.000 0.199) 1.020 5.328 ( 0.200 -0.926 -0.942) 1.336 6.368 ( -0.990 0.106 0.556) 1.141 6.371 ( -1.265 0.079 0.508) 1.366 6.626 ( -0.615 0.382 -0.637) 0.964 6.648 ( -1.118 -0.464 -0.656) 1.377 7.676 ( 6.636 0.850 3.548) 7.573 7.736 ( 1.564 -1.523 4.275) 4.800 8.523 ( -3.940 0.347 -1.947) 4.409 8.538 ( -2.901 -0.239 -2.695) 3.967 13.258 ( 0.650 0.171 0.886) 1.112 13.265 ( 0.386 0.129 0.920) 1.006 13.531 ( 0.159 0.736 0.457) 0.881 13.558 ( -0.388 -0.356 0.070) 0.531 13.590 ( 1.870 2.388 0.945) 3.177 13.707 ( 2.813 -2.245 -1.513) 3.904 14.009 ( 0.453 -0.345 0.184) 0.599 14.034 ( 0.907 -0.486 0.862) 1.342 14.215 ( 4.694 3.054 -1.646) 5.836 14.380 ( 3.566 -3.476 -3.418) 6.040 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 2.769 6.659 4.247) 8.370 0.786 ( -1.183 -7.461 -6.827) 10.182 0.974 ( 2.127 4.453 0.226) 4.940 1.109 ( -4.947 0.747 -6.100) 7.889 1.137 ( -2.888 -3.849 -1.234) 4.968 1.220 ( 3.311 -1.495 -2.237) 4.266 1.291 ( -3.528 5.371 2.122) 6.768 1.319 ( 2.804 3.327 -0.177) 4.354 1.446 ( 0.097 -4.373 -0.297) 4.384 1.583 ( 3.824 -6.224 -1.372) 7.432 1.694 ( 0.747 1.101 3.068) 3.344 1.777 ( -2.767 -1.832 -1.465) 3.627 1.837 ( -4.561 2.611 -0.855) 5.325 1.893 ( 0.152 0.541 0.607) 0.827 1.969 ( -1.468 -0.400 2.298) 2.756 2.066 ( -3.255 -5.583 1.274) 6.587 2.258 ( -0.550 0.660 -2.344) 2.497 2.382 ( -5.476 -1.870 -2.058) 6.141 2.457 ( -7.811 5.748 1.228) 9.775 2.591 ( -5.168 2.866 -0.764) 5.959 2.607 ( -1.340 1.128 -1.028) 2.031 2.647 ( -1.000 0.936 -0.416) 1.431 2.776 ( 2.692 2.721 -2.511) 4.578 2.828 ( 0.210 -2.181 -1.600) 2.713 2.868 ( 2.766 -2.558 0.040) 3.768 2.941 ( -0.726 1.280 -0.325) 1.506 3.003 ( -0.933 -1.654 0.316) 1.925 3.090 ( 0.858 0.636 -1.512) 1.851 3.211 ( -5.376 1.118 2.594) 6.073 3.245 ( -4.107 0.558 1.864) 4.545 3.368 ( 7.094 -1.169 0.705) 7.224 3.416 ( 6.578 0.339 -1.359) 6.726 3.469 ( -1.245 -1.313 -1.717) 2.494 3.614 ( 5.776 -3.009 -1.532) 6.691 3.767 ( -2.965 -0.332 3.744) 4.788 3.783 ( -2.610 -1.172 2.001) 3.492 3.953 ( 2.685 2.919 0.243) 3.974 4.016 ( 2.983 -0.146 -1.311) 3.261 4.180 ( 0.558 0.525 -0.838) 1.135 4.182 ( 2.102 0.474 -0.021) 2.155 4.542 ( 0.073 2.924 2.458) 3.821 4.594 ( -3.303 1.626 -0.508) 3.716 4.797 ( 3.767 -1.635 1.132) 4.260 4.836 ( -0.742 -2.186 -2.142) 3.150 5.008 ( -4.440 0.434 -0.818) 4.536 5.016 ( -1.297 0.142 0.227) 1.324 5.285 ( 0.133 0.817 0.288) 0.876 5.322 ( 0.477 -0.704 -1.022) 1.330 6.376 ( 1.345 0.106 0.495) 1.437 6.379 ( 1.407 0.001 0.405) 1.464 6.632 ( 0.350 0.014 -0.910) 0.975 6.634 ( 1.849 -0.049 -0.345) 1.881 7.747 ( -4.667 0.718 2.593) 5.387 7.807 ( 3.403 -1.668 4.037) 5.537 8.490 ( 2.664 0.658 -1.848) 3.308 8.526 ( 4.593 -0.793 -2.522) 5.299 13.251 ( -2.404 0.482 0.858) 2.598 13.268 ( -1.475 -0.058 1.012) 1.790 13.541 ( -0.015 0.556 0.660) 0.863 13.553 ( -0.080 -0.012 -0.093) 0.123 13.609 ( -0.704 1.824 0.841) 2.128 13.704 ( -0.961 -1.926 -1.853) 2.841 14.000 ( -1.834 0.447 0.402) 1.930 14.034 ( -1.633 0.603 -0.138) 1.747 14.272 ( 3.222 -0.155 0.111) 3.228 14.356 ( -0.965 -2.643 -4.285) 5.126 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 0.669 0.398 3.974) 4.050 0.665 ( -4.144 -5.856 -6.943) 9.984 0.838 ( -13.466 1.542 -7.116) 15.309 0.923 ( -8.455 2.704 -4.472) 9.940 0.980 ( -3.713 2.669 -0.878) 4.656 1.196 ( -2.595 5.344 -0.165) 5.943 1.396 ( 7.627 -4.315 1.237) 8.850 1.458 ( 1.302 -5.135 1.099) 5.410 1.468 ( 6.599 1.000 1.486) 6.838 1.616 ( -0.668 -5.013 0.068) 5.057 1.722 ( -1.940 0.282 0.781) 2.110 1.741 ( -3.383 0.578 0.630) 3.490 1.786 ( 4.132 -1.774 0.611) 4.538 1.846 ( -8.447 -3.617 3.065) 9.686 1.977 ( -7.866 2.206 2.624) 8.581 2.012 ( -1.144 1.831 5.106) 5.543 2.179 ( -11.789 -0.638 -1.891) 11.957 2.199 ( -4.626 1.217 -3.017) 5.655 2.319 ( -6.526 4.933 1.992) 8.419 2.485 ( -4.621 0.400 -1.021) 4.749 2.583 ( -0.431 1.443 -1.194) 1.922 2.641 ( 0.646 1.248 0.272) 1.431 2.774 ( 0.939 2.085 -2.209) 3.180 2.838 ( 1.027 -3.341 0.422) 3.520 2.908 ( 2.969 -5.189 -2.132) 6.347 2.924 ( -0.177 -0.013 -0.818) 0.837 2.987 ( -2.177 0.245 0.909) 2.372 3.073 ( -0.932 0.452 -1.825) 2.098 3.161 ( -3.989 1.802 2.350) 4.968 3.215 ( -1.285 1.805 0.896) 2.390 3.418 ( -1.337 -0.390 -1.218) 1.850 3.485 ( 5.293 -1.128 -0.429) 5.429 3.536 ( 7.109 1.574 -0.347) 7.290 3.690 ( 4.739 -2.290 -1.713) 5.535 3.744 ( -2.467 -1.282 2.299) 3.607 3.802 ( 0.909 -2.799 2.393) 3.793 3.998 ( 2.009 3.733 0.398) 4.257 4.058 ( 3.698 -0.211 -1.755) 4.098 4.207 ( 3.218 1.814 -0.287) 3.705 4.239 ( 4.257 0.659 -0.091) 4.308 4.531 ( -3.800 1.434 0.245) 4.069 4.552 ( -2.822 1.248 2.368) 3.889 4.811 ( 1.677 -0.306 -2.579) 3.091 4.867 ( 1.678 -2.083 0.797) 2.791 4.910 ( -4.985 1.670 -0.100) 5.258 4.986 ( -1.434 -1.430 0.368) 2.058 5.286 ( -0.590 0.775 0.446) 1.071 5.319 ( 0.357 -0.608 -0.976) 1.204 6.412 ( 1.970 0.147 0.080) 1.977 6.417 ( 2.400 -0.046 -0.014) 2.400 6.641 ( 1.827 0.645 -0.622) 2.035 6.672 ( 2.800 -0.616 -0.300) 2.883 7.634 ( -10.366 3.380 0.185) 10.905 7.872 ( -0.066 -6.539 1.418) 6.691 8.570 ( 8.171 0.979 -0.816) 8.270 8.621 ( 9.122 -1.232 -2.317) 9.492 13.202 ( -3.986 0.937 0.541) 4.130 13.236 ( -3.499 -0.250 0.976) 3.641 13.526 ( -2.934 1.387 0.673) 3.315 13.554 ( 0.171 0.423 -0.193) 0.495 13.602 ( -0.660 0.078 0.721) 0.981 13.642 ( -3.320 -1.259 -1.733) 3.951 13.958 ( -3.615 0.777 0.323) 3.712 13.979 ( -3.681 0.954 -0.975) 3.926 14.263 ( -3.696 -0.950 -3.981) 5.515 14.325 ( 1.981 -4.091 0.142) 4.548 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -14.327 -3.542 -4.930) 15.560 0.552 ( -2.090 -6.189 -2.476) 6.986 0.632 ( -5.881 3.660 1.111) 7.016 0.792 ( -2.826 -0.781 2.878) 4.109 0.912 ( -3.749 8.432 -0.213) 9.230 1.185 ( -0.273 2.380 1.209) 2.683 1.407 ( -7.340 -4.820 -0.141) 8.782 1.493 ( -8.205 -2.053 0.689) 8.486 1.516 ( -4.427 0.211 2.184) 4.941 1.567 ( -2.788 -3.038 -0.162) 4.127 1.614 ( -5.185 -0.406 2.083) 5.602 1.697 ( -3.745 -0.314 3.887) 5.406 1.783 ( -3.420 0.272 -1.337) 3.682 1.820 ( -3.489 0.415 5.624) 6.632 1.904 ( -3.682 -0.246 -0.965) 3.815 1.953 ( -1.130 -2.062 3.225) 3.991 2.111 ( 1.933 4.878 4.144) 6.686 2.174 ( 3.840 2.625 -2.278) 5.179 2.297 ( 0.055 0.386 1.730) 1.774 2.419 ( -2.547 -0.772 0.642) 2.738 2.555 ( -1.167 0.155 -1.374) 1.810 2.670 ( 2.204 2.531 0.136) 3.359 2.761 ( -0.418 -0.436 -1.559) 1.672 2.852 ( 0.490 -1.529 -0.513) 1.685 2.907 ( -0.400 -0.295 -2.717) 2.762 2.925 ( 1.940 -2.433 -1.309) 3.376 2.942 ( -3.660 -0.756 -0.139) 3.740 3.030 ( -1.583 -2.203 -0.531) 2.764 3.126 ( -2.900 2.528 1.908) 4.295 3.220 ( 1.607 0.862 -0.777) 1.982 3.388 ( -0.279 2.530 -1.490) 2.950 3.548 ( 2.055 -1.686 0.414) 2.691 3.634 ( 3.776 0.434 0.478) 3.831 3.726 ( 1.134 2.916 0.571) 3.181 3.756 ( 2.197 -3.545 -0.062) 4.171 3.848 ( 1.981 -3.541 0.667) 4.112 4.041 ( 2.312 3.624 1.103) 4.438 4.103 ( 3.805 -0.783 -1.579) 4.193 4.267 ( 3.654 2.714 -0.330) 4.564 4.305 ( 3.417 1.247 -0.680) 3.701 4.466 ( -4.535 0.157 0.613) 4.579 4.492 ( -5.854 -0.286 1.198) 5.982 4.819 ( -0.151 0.731 -0.476) 0.885 4.852 ( 1.588 2.463 -0.733) 3.020 4.893 ( -0.575 -1.250 0.922) 1.657 4.994 ( 1.405 -2.635 0.086) 2.987 5.275 ( -1.246 0.823 0.584) 1.603 5.311 ( -0.018 -0.690 -0.974) 1.194 6.435 ( 0.954 0.420 -0.395) 1.114 6.453 ( 1.870 -0.262 -0.347) 1.920 6.680 ( 2.716 0.682 0.413) 2.831 6.716 ( 2.455 -0.718 -0.125) 2.561 7.409 ( -14.269 4.211 -1.632) 14.967 7.779 ( -9.817 -12.877 -6.883) 17.594 8.736 ( 10.399 1.031 1.131) 10.511 8.781 ( 11.151 -0.884 0.746) 11.210 13.135 ( -4.113 1.143 0.185) 4.273 13.177 ( -4.226 -0.211 0.587) 4.272 13.468 ( -4.099 1.934 0.585) 4.571 13.540 ( -2.328 -0.770 -0.792) 2.577 13.575 ( -0.589 0.448 -0.987) 1.233 13.603 ( -1.043 -0.205 0.568) 1.205 13.883 ( -5.243 0.939 0.515) 5.351 13.912 ( -1.972 -0.172 -1.860) 2.716 14.150 ( -4.432 0.675 -3.184) 5.499 14.315 ( -2.306 -7.338 -3.560) 8.475 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( -4.278 -5.297 7.371) 10.035 0.548 ( 3.133 -8.376 1.044) 9.003 0.628 ( -2.082 6.678 10.195) 12.364 0.829 ( -1.939 3.772 5.505) 6.949 0.866 ( -3.436 1.960 3.300) 5.151 1.071 ( -22.159 5.608 5.131) 23.427 1.129 ( -16.243 -2.513 3.844) 16.880 1.366 ( 0.215 4.859 -1.071) 4.980 1.465 ( -0.796 -2.854 -3.548) 4.623 1.527 ( -1.451 -3.147 -0.916) 3.584 1.622 ( 0.303 -0.393 -0.359) 0.613 1.707 ( -2.684 0.956 0.300) 2.865 1.749 ( 3.902 -5.779 4.217) 8.148 1.808 ( -1.861 -2.457 0.191) 3.088 1.891 ( -0.861 1.253 3.611) 3.918 2.008 ( 2.389 -0.900 0.574) 2.616 2.194 ( 1.432 1.669 2.721) 3.499 2.240 ( 3.639 3.699 0.301) 5.198 2.320 ( 1.018 -2.372 1.583) 3.028 2.423 ( -0.428 0.973 3.251) 3.420 2.530 ( 0.107 -2.280 -0.509) 2.339 2.692 ( 0.583 -0.833 -2.934) 3.105 2.736 ( -0.031 2.712 0.181) 2.718 2.834 ( -0.080 1.268 -3.419) 3.647 2.860 ( -0.834 -0.015 -2.488) 2.624 2.887 ( -2.495 -0.404 1.613) 2.998 2.945 ( 1.064 -0.498 -0.407) 1.243 3.019 ( 1.358 -3.743 -1.129) 4.139 3.105 ( -1.878 3.176 1.545) 4.000 3.242 ( 2.071 -1.781 -1.591) 3.161 3.377 ( 0.762 2.954 -0.828) 3.161 3.557 ( -1.120 -2.924 -0.415) 3.158 3.679 ( 1.145 2.115 1.145) 2.664 3.760 ( 1.823 1.730 -0.132) 2.517 3.802 ( 2.490 -0.842 0.512) 2.678 3.876 ( 1.197 -1.558 -0.741) 2.100 4.093 ( 1.770 2.510 0.864) 3.191 4.149 ( 3.529 -0.981 -1.846) 4.101 4.310 ( 1.519 1.708 -0.166) 2.292 4.335 ( 1.318 0.870 -0.883) 1.809 4.389 ( -4.491 -0.232 0.770) 4.562 4.409 ( -4.768 -0.120 0.161) 4.772 4.817 ( -0.106 1.360 1.150) 1.785 4.884 ( 0.132 -1.155 0.182) 1.177 4.903 ( 2.596 1.969 -0.364) 3.278 5.011 ( 0.583 -2.261 -0.533) 2.395 5.260 ( -1.180 0.994 0.492) 1.619 5.299 ( 0.095 -0.734 -1.026) 1.265 6.444 ( 0.750 0.613 -0.187) 0.986 6.473 ( 1.066 -0.532 -0.466) 1.280 6.733 ( 2.374 0.137 1.035) 2.593 6.750 ( 1.488 -0.455 0.189) 1.568 7.159 ( -11.049 1.951 -1.340) 11.300 7.365 ( -23.720 -8.626 -8.491) 26.629 8.922 ( 7.614 1.257 3.206) 8.357 9.016 ( 11.949 -3.464 3.461) 12.913 13.076 ( -2.492 0.915 -0.070) 2.655 13.114 ( -3.213 -0.160 -0.050) 3.218 13.414 ( -2.375 2.433 -0.053) 3.400 13.486 ( -1.582 -0.773 -1.674) 2.430 13.571 ( 0.266 0.643 -0.316) 0.764 13.587 ( -1.243 0.112 0.481) 1.337 13.812 ( -3.290 1.038 0.676) 3.516 13.871 ( 0.237 -1.064 -2.641) 2.857 14.051 ( -3.361 0.393 -2.306) 4.095 14.144 ( -9.912 -4.299 -5.708) 12.219 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 7.782 -8.141 7.038) 13.280 0.500 ( 7.782 8.141 7.038) 13.280 0.776 ( -6.156 -2.358 2.484) 7.045 0.776 ( -6.156 2.358 2.484) 7.045 0.847 ( -1.442 -5.844 5.288) 8.012 0.847 ( -1.442 5.844 5.288) 8.012 1.239 ( -2.391 -10.979 0.616) 11.253 1.239 ( -2.391 10.979 0.616) 11.253 1.469 ( 2.193 -2.032 0.457) 3.024 1.469 ( 2.193 2.032 0.457) 3.024 1.634 ( -2.066 -4.461 -1.605) 5.172 1.634 ( -2.066 4.461 -1.605) 5.172 1.782 ( 2.016 -2.397 2.560) 4.045 1.782 ( 2.016 2.397 2.560) 4.045 1.975 ( -1.134 -5.015 2.154) 5.575 1.975 ( -1.134 5.015 2.154) 5.575 2.269 ( -0.368 -3.262 1.388) 3.564 2.269 ( -0.368 3.262 1.388) 3.564 2.369 ( -0.316 -2.736 0.935) 2.908 2.369 ( -0.316 2.736 0.935) 2.908 2.600 ( 2.006 -3.749 -0.550) 4.288 2.600 ( 2.006 3.749 -0.550) 4.288 2.793 ( 0.310 -1.041 -3.212) 3.390 2.793 ( 0.310 1.041 -3.212) 3.390 2.877 ( 1.829 -2.070 -0.483) 2.804 2.877 ( 1.829 2.070 -0.483) 2.804 2.966 ( 0.123 -3.387 -0.481) 3.423 2.966 ( 0.123 3.387 -0.481) 3.423 3.172 ( -1.195 -3.989 1.590) 4.457 3.172 ( -1.195 3.989 1.590) 4.457 3.453 ( 0.082 -3.577 -1.697) 3.960 3.453 ( 0.082 3.577 -1.697) 3.960 3.774 ( 1.365 -2.335 0.728) 2.801 3.774 ( 1.365 2.335 0.728) 2.801 3.837 ( -1.248 -1.443 -1.282) 2.299 3.837 ( -1.248 1.443 -1.282) 2.299 4.141 ( 0.121 -1.801 -1.111) 2.120 4.141 ( 0.121 1.801 -1.111) 2.120 4.321 ( -2.216 -0.410 0.348) 2.281 4.321 ( -2.216 0.410 0.348) 2.281 4.371 ( 1.054 -0.183 0.646) 1.250 4.371 ( 1.054 0.183 0.646) 1.250 4.857 ( -0.455 -1.165 1.128) 1.684 4.857 ( -0.455 1.165 1.128) 1.684 4.972 ( 0.871 -1.643 -0.954) 2.090 4.972 ( 0.871 1.643 -0.954) 2.090 5.275 ( 0.315 -1.305 -0.497) 1.432 5.275 ( 0.315 1.305 -0.497) 1.432 6.468 ( 0.382 -0.526 -0.168) 0.672 6.468 ( 0.382 0.526 -0.168) 0.672 6.768 ( 0.582 -0.082 0.377) 0.698 6.768 ( 0.582 0.082 0.377) 0.698 7.048 ( -1.631 -0.317 -0.003) 1.661 7.048 ( -1.631 0.317 -0.003) 1.661 9.088 ( 1.300 -3.739 2.934) 4.927 9.088 ( 1.300 3.739 2.934) 4.927 13.070 ( 0.093 -0.599 -0.244) 0.653 13.070 ( 0.093 0.599 -0.244) 0.653 13.428 ( -0.258 -1.610 -1.402) 2.150 13.428 ( -0.258 1.610 -1.402) 2.150 13.578 ( -0.261 -0.158 0.207) 0.369 13.578 ( -0.261 0.158 0.207) 0.369 13.834 ( 2.164 -2.108 -0.958) 3.169 13.834 ( 2.164 2.108 -0.958) 3.169 13.981 ( -1.643 -0.826 -1.982) 2.703 13.981 ( -1.643 0.826 -1.982) 2.703 ======================= Grid point 110 (62/96) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -0.690 -5.614 1.179) 5.778 0.684 ( -0.690 5.614 1.179) 5.778 0.742 ( 5.311 -2.719 2.682) 6.541 0.742 ( 5.311 2.719 2.682) 6.541 1.003 ( 11.153 -2.934 5.642) 12.838 1.003 ( 11.153 2.934 5.642) 12.838 1.232 ( 2.819 -3.256 -1.196) 4.470 1.232 ( 2.819 3.256 -1.196) 4.470 1.508 ( 0.422 -0.959 -0.280) 1.085 1.508 ( 0.422 0.959 -0.280) 1.085 1.605 ( 1.329 -4.347 0.344) 4.559 1.605 ( 1.329 4.347 0.344) 4.559 1.812 ( -1.205 -3.648 1.617) 4.168 1.812 ( -1.205 3.648 1.617) 4.168 1.987 ( -0.014 -4.873 2.059) 5.290 1.987 ( -0.014 4.873 2.059) 5.290 2.273 ( -1.177 -6.873 1.288) 7.091 2.273 ( -1.177 6.873 1.288) 7.091 2.364 ( -0.707 -4.178 0.713) 4.297 2.364 ( -0.707 4.178 0.713) 4.297 2.654 ( 4.541 -1.863 -0.666) 4.953 2.654 ( 4.541 1.863 -0.666) 4.953 2.773 ( 1.349 -0.880 -3.171) 3.556 2.773 ( 1.349 0.880 -3.171) 3.556 2.895 ( 0.307 -2.363 0.213) 2.393 2.895 ( 0.307 2.363 0.213) 2.393 2.957 ( 0.243 -5.055 -0.501) 5.086 2.957 ( 0.243 5.055 -0.501) 5.086 3.159 ( -2.271 -3.986 1.264) 4.758 3.159 ( -2.271 3.986 1.264) 4.758 3.448 ( 1.241 -0.961 -1.353) 2.073 3.448 ( 1.241 0.961 -1.353) 2.073 3.764 ( -3.977 -2.868 -0.701) 4.953 3.764 ( -3.977 2.868 -0.701) 4.953 3.807 ( 0.058 -3.839 0.676) 3.898 3.807 ( 0.058 3.839 0.676) 3.898 4.112 ( -2.249 -2.522 -0.431) 3.406 4.112 ( -2.249 2.522 -0.431) 3.406 4.293 ( -1.751 -0.274 0.148) 1.779 4.293 ( -1.751 0.274 0.148) 1.779 4.414 ( 2.774 -0.482 0.433) 2.849 4.414 ( 2.774 0.482 0.433) 2.849 4.860 ( -0.491 -0.488 0.769) 1.035 4.860 ( -0.491 0.488 0.769) 1.035 4.968 ( -0.077 -0.275 -0.754) 0.807 4.968 ( -0.077 0.275 -0.754) 0.807 5.281 ( 0.879 -1.584 -0.327) 1.841 5.281 ( 0.879 1.584 -0.327) 1.841 6.463 ( -0.757 -0.148 -0.323) 0.837 6.463 ( -0.757 0.148 -0.323) 0.837 6.763 ( -1.273 -0.176 0.058) 1.287 6.763 ( -1.273 0.176 0.058) 1.287 7.139 ( 10.609 -0.871 -0.639) 10.664 7.139 ( 10.609 0.871 -0.639) 10.664 9.053 ( -7.611 -3.069 1.005) 8.267 9.053 ( -7.611 3.069 1.005) 8.267 13.097 ( 3.087 -0.123 -0.107) 3.091 13.097 ( 3.087 0.123 -0.107) 3.091 13.431 ( 2.223 -1.699 -0.501) 2.842 13.431 ( 2.223 1.699 -0.501) 2.842 13.576 ( -0.308 -0.406 0.103) 0.520 13.576 ( -0.308 0.406 0.103) 0.520 13.884 ( 3.748 -1.690 -0.496) 4.141 13.884 ( 3.748 1.690 -0.496) 4.141 13.986 ( 5.140 -0.071 -1.950) 5.498 13.986 ( 5.140 0.071 -1.950) 5.498 ======================= Grid point 112 (63/96) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.714 -7.771 -5.570) 9.588 0.605 ( -0.714 7.771 -5.570) 9.588 0.880 ( 3.965 -3.667 1.013) 5.495 0.880 ( 3.965 3.667 1.013) 5.495 1.141 ( -0.051 -0.938 3.326) 3.456 1.141 ( -0.051 0.938 3.326) 3.456 1.410 ( 12.777 -1.596 -0.195) 12.878 1.410 ( 12.777 1.596 -0.195) 12.878 1.488 ( 0.899 -4.989 -1.437) 5.269 1.488 ( 0.899 4.989 -1.437) 5.269 1.681 ( 3.162 -2.804 2.501) 4.911 1.681 ( 3.162 2.804 2.501) 4.911 1.818 ( 3.286 -1.192 0.844) 3.596 1.818 ( 3.286 1.192 0.844) 3.596 2.006 ( -1.081 -3.742 2.101) 4.426 2.006 ( -1.081 3.742 2.101) 4.426 2.257 ( -1.232 -6.453 0.131) 6.571 2.257 ( -1.232 6.453 0.131) 6.571 2.378 ( 2.134 -3.891 0.162) 4.440 2.378 ( 2.134 3.891 0.162) 4.440 2.718 ( 3.506 -1.245 -1.369) 3.965 2.718 ( 3.506 1.245 -1.369) 3.965 2.762 ( 0.403 -0.660 -1.418) 1.615 2.762 ( 0.403 0.660 -1.418) 1.615 2.890 ( 0.212 -3.847 -1.063) 3.997 2.890 ( 0.212 3.847 -1.063) 3.997 2.988 ( 3.497 -2.540 -0.066) 4.322 2.988 ( 3.497 2.540 -0.066) 4.322 3.129 ( -2.634 -4.078 1.609) 5.115 3.129 ( -2.634 4.078 1.609) 5.115 3.458 ( 1.444 -2.241 -1.204) 2.925 3.458 ( 1.444 2.241 -1.204) 2.925 3.672 ( -6.151 -2.796 -0.054) 6.757 3.672 ( -6.151 2.796 -0.054) 6.757 3.814 ( -0.428 -3.018 0.682) 3.123 3.814 ( -0.428 3.018 0.682) 3.123 4.062 ( -3.322 -3.081 0.172) 4.534 4.062 ( -3.322 3.081 0.172) 4.534 4.257 ( -2.435 -0.593 -0.149) 2.511 4.257 ( -2.435 0.593 -0.149) 2.511 4.471 ( 3.254 -1.424 0.520) 3.590 4.471 ( 3.254 1.424 0.520) 3.590 4.861 ( 0.149 -2.202 -0.005) 2.207 4.861 ( 0.149 2.202 -0.005) 2.207 4.957 ( -0.200 -1.112 -0.394) 1.196 4.957 ( -0.200 1.112 -0.394) 1.196 5.295 ( 0.983 -1.630 -0.232) 1.917 5.295 ( 0.983 1.630 -0.232) 1.917 6.436 ( -1.800 -0.536 -0.316) 1.905 6.436 ( -1.800 0.536 -0.316) 1.905 6.728 ( -2.565 -0.098 -0.314) 2.586 6.728 ( -2.565 0.098 -0.314) 2.586 7.343 ( 12.541 -1.817 0.239) 12.674 7.343 ( 12.541 1.817 0.239) 12.674 8.879 ( -11.756 -1.632 -0.868) 11.900 8.879 ( -11.756 1.632 -0.868) 11.900 13.161 ( 3.854 -0.422 0.326) 3.891 13.161 ( 3.854 0.422 0.326) 3.891 13.491 ( 4.679 -2.212 -0.036) 5.176 13.491 ( 4.679 2.212 -0.036) 5.176 13.569 ( -0.451 -1.145 0.022) 1.231 13.569 ( -0.451 1.145 0.022) 1.231 13.934 ( 2.864 -0.172 -0.280) 2.883 13.934 ( 2.864 0.172 -0.280) 2.883 14.099 ( 9.254 -3.004 -1.795) 9.893 14.099 ( 9.254 3.004 -1.795) 9.893 ======================= Grid point 114 (64/96) ======================= q-point: ( 0.33 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 3.634 -11.330 -3.856) 12.507 0.576 ( 3.634 11.330 -3.856) 12.507 0.908 ( 2.978 -1.811 -3.939) 5.260 0.908 ( 2.978 1.811 -3.939) 5.260 1.185 ( 2.450 -2.785 0.889) 3.815 1.185 ( 2.450 2.785 0.889) 3.815 1.423 ( -2.260 -2.016 -0.720) 3.113 1.423 ( -2.260 2.016 -0.720) 3.113 1.573 ( 1.130 -4.891 -0.324) 5.031 1.573 ( 1.130 4.891 -0.324) 5.031 1.703 ( 0.222 -2.776 1.533) 3.179 1.703 ( 0.222 2.776 1.533) 3.179 1.943 ( 1.888 -1.558 0.313) 2.467 1.943 ( 1.888 1.558 0.313) 2.467 2.005 ( -0.270 -2.434 2.698) 3.644 2.005 ( -0.270 2.434 2.698) 3.644 2.268 ( 5.362 -5.828 -2.871) 8.423 2.268 ( 5.362 5.828 -2.871) 8.423 2.453 ( 6.447 -2.572 0.818) 6.989 2.453 ( 6.447 2.572 0.818) 6.989 2.715 ( -0.231 -1.194 -2.911) 3.155 2.715 ( -0.231 1.194 -2.911) 3.155 2.775 ( 0.912 -1.923 0.798) 2.273 2.775 ( 0.912 1.923 0.798) 2.273 2.895 ( 2.311 -5.669 -1.992) 6.438 2.895 ( 2.311 5.669 -1.992) 6.438 3.037 ( 1.505 -1.648 -0.529) 2.294 3.037 ( 1.505 1.648 -0.529) 2.294 3.138 ( 1.582 -2.377 2.998) 4.140 3.138 ( 1.582 2.377 2.998) 4.140 3.462 ( -0.503 -2.802 -0.769) 2.949 3.462 ( -0.503 2.802 -0.769) 2.949 3.553 ( -6.343 -2.335 -1.050) 6.840 3.553 ( -6.343 2.335 -1.050) 6.840 3.808 ( -1.457 -2.071 1.233) 2.817 3.808 ( -1.457 2.071 1.233) 2.817 4.007 ( -3.371 -3.163 0.542) 4.654 4.007 ( -3.371 3.163 0.542) 4.654 4.213 ( -2.191 -1.037 -0.205) 2.432 4.213 ( -2.191 1.037 -0.205) 2.432 4.531 ( 2.550 -2.863 1.017) 3.967 4.531 ( 2.550 2.863 1.017) 3.967 4.850 ( -1.316 -3.710 -0.777) 4.012 4.850 ( -1.316 3.710 -0.777) 4.012 4.974 ( 2.926 -1.655 -0.138) 3.364 4.974 ( 2.926 1.655 -0.138) 3.364 5.305 ( 0.464 -1.531 -0.294) 1.627 5.305 ( 0.464 1.531 -0.294) 1.627 6.399 ( -2.258 -0.418 0.131) 2.300 6.399 ( -2.258 0.418 0.131) 2.300 6.675 ( -2.648 -0.458 -0.631) 2.761 6.675 ( -2.648 0.458 -0.631) 2.761 7.549 ( 9.199 -2.730 2.627) 9.948 7.549 ( 9.199 2.730 2.627) 9.948 8.671 ( -9.601 -0.630 -2.033) 9.834 8.671 ( -9.601 0.630 -2.033) 9.834 13.225 ( 2.647 -0.419 0.802) 2.797 13.225 ( 2.647 0.419 0.802) 2.797 13.548 ( 0.220 -0.960 0.215) 1.008 13.548 ( 0.220 0.960 0.215) 1.008 13.590 ( 4.229 -3.450 -0.269) 5.464 13.590 ( 4.229 3.450 -0.269) 5.464 13.979 ( 2.288 -0.392 0.412) 2.358 13.979 ( 2.288 0.392 0.412) 2.358 14.226 ( 7.674 -4.634 -2.370) 9.273 14.226 ( 7.674 4.634 -2.370) 9.273 ======================= Grid point 116 (65/96) ======================= q-point: ( 0.44 -0.50 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 3.049 -12.575 -1.799) 13.064 0.613 ( 3.049 12.575 -1.799) 13.064 0.952 ( 7.889 -2.102 -3.389) 8.840 0.952 ( 7.889 2.102 -3.389) 8.840 1.221 ( 0.995 -2.150 -1.128) 2.624 1.221 ( 0.995 2.150 -1.128) 2.624 1.385 ( -1.310 -2.806 -0.284) 3.109 1.385 ( -1.310 2.806 -0.284) 3.109 1.503 ( -5.747 -0.795 -1.115) 5.908 1.503 ( -5.747 0.795 -1.115) 5.908 1.742 ( 0.262 -4.343 1.391) 4.568 1.742 ( 0.262 4.343 1.391) 4.568 1.911 ( -2.005 -2.364 0.144) 3.103 1.911 ( -2.005 2.364 0.144) 3.103 2.003 ( -2.604 -1.490 0.915) 3.137 2.003 ( -2.604 1.490 0.915) 3.137 2.326 ( 3.826 -4.891 -3.435) 7.096 2.326 ( 3.826 4.891 -3.435) 7.096 2.590 ( 5.375 -1.582 1.428) 5.782 2.590 ( 5.375 1.582 1.428) 5.782 2.669 ( -1.075 -0.263 -2.699) 2.917 2.669 ( -1.075 0.263 -2.699) 2.917 2.794 ( 0.982 -2.462 -0.371) 2.676 2.794 ( 0.982 2.462 -0.371) 2.676 2.904 ( 0.755 -5.772 -2.103) 6.190 2.904 ( 0.755 5.772 -2.103) 6.190 3.048 ( 0.387 -4.145 0.758) 4.232 3.048 ( 0.387 4.145 0.758) 4.232 3.228 ( 4.475 -0.209 1.890) 4.862 3.228 ( 4.475 0.209 1.890) 4.862 3.368 ( -8.078 -3.630 1.045) 8.918 3.368 ( -8.078 3.630 1.045) 8.918 3.505 ( 2.346 -2.361 -2.895) 4.411 3.505 ( 2.346 2.361 -2.895) 4.411 3.792 ( -2.798 -1.089 2.342) 3.808 3.792 ( -2.798 1.089 2.342) 3.808 3.974 ( -0.453 -2.464 0.241) 2.517 3.974 ( -0.453 2.464 0.241) 2.517 4.185 ( -0.651 -0.843 -0.298) 1.106 4.185 ( -0.651 0.843 -0.298) 1.106 4.579 ( 1.307 -3.721 1.522) 4.227 4.579 ( 1.307 3.721 1.522) 4.227 4.809 ( -1.531 -4.141 -1.236) 4.585 4.809 ( -1.531 4.141 -1.236) 4.585 5.026 ( 2.117 -1.306 -0.264) 2.502 5.026 ( 2.117 1.306 -0.264) 2.502 5.305 ( 0.089 -1.356 -0.373) 1.409 5.305 ( 0.089 1.356 -0.373) 1.409 6.371 ( -1.157 -0.140 0.509) 1.272 6.371 ( -1.157 0.140 0.509) 1.272 6.636 ( -0.862 -0.612 -0.624) 1.228 6.636 ( -0.862 0.612 -0.624) 1.228 7.702 ( 4.063 -1.710 3.981) 5.940 7.702 ( 4.063 1.710 3.981) 5.940 8.531 ( -3.380 -0.464 -2.433) 4.190 8.531 ( -3.380 0.464 -2.433) 4.190 13.263 ( 0.438 -0.257 1.057) 1.173 13.263 ( 0.438 0.257 1.057) 1.173 13.547 ( -0.188 -0.799 0.276) 0.866 13.547 ( -0.188 0.799 0.276) 0.866 13.650 ( 2.520 -3.368 -0.541) 4.241 13.650 ( 2.520 3.368 -0.541) 4.241 14.016 ( 0.805 -0.932 1.077) 1.636 14.016 ( 0.805 0.932 1.077) 1.636 14.295 ( 3.936 -4.731 -3.094) 6.888 14.295 ( 3.936 4.731 -3.094) 6.888 ======================= Grid point 118 (66/96) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 0.621 -9.024 -2.515) 9.389 0.620 ( 0.621 9.024 -2.515) 9.389 1.064 ( 3.483 -4.028 -0.460) 5.345 1.064 ( 3.483 4.028 -0.460) 5.345 1.153 ( -4.611 -4.094 -4.222) 7.473 1.153 ( -4.611 4.094 -4.222) 7.473 1.362 ( -0.490 -1.178 0.341) 1.321 1.362 ( -0.490 1.178 0.341) 1.321 1.448 ( 1.876 -6.581 -0.574) 6.867 1.448 ( 1.876 6.581 -0.574) 6.867 1.729 ( -2.369 -2.389 1.632) 3.739 1.729 ( -2.369 2.389 1.632) 3.739 1.879 ( -4.056 -1.685 0.390) 4.410 1.879 ( -4.056 1.685 0.390) 4.410 1.990 ( 0.877 -2.501 1.381) 2.989 1.990 ( 0.877 2.501 1.381) 2.989 2.301 ( -2.646 -3.838 -3.358) 5.745 2.301 ( -2.646 3.838 -3.358) 5.745 2.583 ( -6.934 -4.168 1.380) 8.207 2.583 ( -6.934 4.168 1.380) 8.207 2.644 ( 0.003 -1.472 -1.923) 2.421 2.644 ( 0.003 1.472 -1.923) 2.421 2.803 ( 1.150 -2.195 -1.158) 2.735 2.803 ( 1.150 2.195 -1.158) 2.735 2.875 ( -0.728 -5.139 -1.591) 5.428 2.875 ( -0.728 5.139 -1.591) 5.428 3.062 ( -0.308 -3.762 0.715) 3.842 3.062 ( -0.308 3.762 0.715) 3.842 3.239 ( -4.332 -1.427 2.493) 5.198 3.239 ( -4.332 1.427 2.493) 5.198 3.368 ( 5.432 -1.993 0.163) 5.788 3.368 ( 5.432 1.993 0.163) 5.788 3.531 ( 4.762 -4.851 -3.022) 7.439 3.531 ( 4.762 4.851 -3.022) 7.439 3.768 ( -3.216 -0.383 2.952) 4.382 3.768 ( -3.216 0.383 2.952) 4.382 4.000 ( 2.933 -1.628 -0.250) 3.364 4.000 ( 2.933 1.628 -0.250) 3.364 4.188 ( 1.568 -0.059 -0.285) 1.595 4.188 ( 1.568 0.059 -0.285) 1.595 4.598 ( -1.492 -1.837 1.506) 2.805 4.598 ( -1.492 1.837 1.506) 2.805 4.791 ( 1.446 -1.547 -1.249) 2.458 4.791 ( 1.446 1.547 -1.249) 2.458 5.016 ( -2.877 -0.219 -0.234) 2.895 5.016 ( -2.877 0.219 -0.234) 2.895 5.304 ( 0.335 -1.052 -0.368) 1.164 5.304 ( 0.335 1.052 -0.368) 1.164 6.378 ( 1.374 -0.109 0.431) 1.444 6.378 ( 1.374 0.109 0.431) 1.444 6.633 ( 1.105 -0.050 -0.602) 1.259 6.633 ( 1.105 0.050 -0.602) 1.259 7.771 ( -1.004 -1.679 3.426) 3.945 7.771 ( -1.004 1.679 3.426) 3.945 8.507 ( 3.595 -1.016 -2.311) 4.393 8.507 ( 3.595 1.016 -2.311) 4.393 13.262 ( -1.955 -0.543 1.065) 2.291 13.262 ( -1.955 0.543 1.065) 2.291 13.551 ( 0.219 -0.299 0.237) 0.440 13.551 ( 0.219 0.299 0.237) 0.440 13.656 ( -0.953 -2.724 -0.675) 2.964 13.656 ( -0.953 2.724 -0.675) 2.964 14.023 ( -1.567 -1.469 0.947) 2.347 14.023 ( -1.567 1.469 0.947) 2.347 14.298 ( 0.648 -2.715 -2.911) 4.033 14.298 ( 0.648 2.715 -2.911) 4.033 ======================= Grid point 120 (67/96) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -2.745 -3.136 -3.056) 5.168 0.574 ( -2.745 3.136 -3.056) 5.168 0.882 ( -11.079 -2.823 -5.867) 12.851 0.882 ( -11.079 2.823 -5.867) 12.851 1.148 ( -0.383 -9.788 0.979) 9.844 1.148 ( -0.383 9.788 0.979) 9.844 1.386 ( 0.865 -4.252 1.136) 4.485 1.386 ( 0.865 4.252 1.136) 4.485 1.510 ( 4.462 -4.123 -0.684) 6.113 1.510 ( 4.462 4.123 -0.684) 6.113 1.738 ( -0.057 -1.139 3.174) 3.373 1.738 ( -0.057 1.139 3.174) 3.373 1.786 ( -5.906 -2.044 0.545) 6.274 1.786 ( -5.906 2.044 0.545) 6.274 2.022 ( -4.016 -1.542 4.175) 5.995 2.022 ( -4.016 1.542 4.175) 5.995 2.179 ( -4.322 -1.346 -2.933) 5.394 2.179 ( -4.322 1.346 -2.933) 5.394 2.441 ( -9.414 -5.221 1.502) 10.869 2.441 ( -9.414 5.221 1.502) 10.869 2.634 ( 1.300 -2.572 -1.793) 3.394 2.634 ( 1.300 2.572 -1.793) 3.394 2.804 ( 0.512 -3.605 -1.168) 3.824 2.804 ( 0.512 3.605 -1.168) 3.824 2.866 ( 1.462 -4.050 -1.233) 4.479 2.866 ( 1.462 4.050 -1.233) 4.479 3.043 ( -2.418 -3.164 0.050) 3.983 3.043 ( -2.418 3.164 0.050) 3.983 3.206 ( -3.000 -2.147 2.140) 4.265 3.206 ( -3.000 2.147 2.140) 4.265 3.444 ( 3.697 -2.461 -0.950) 4.541 3.444 ( 3.697 2.461 -0.950) 4.541 3.603 ( 6.255 -4.857 -1.810) 8.123 3.603 ( 6.255 4.857 -1.810) 8.123 3.758 ( -1.179 -1.687 2.372) 3.141 3.758 ( -1.179 1.687 2.372) 3.141 4.045 ( 2.625 -1.290 -0.547) 2.976 4.045 ( 2.625 1.290 -0.547) 2.976 4.239 ( 4.445 -0.924 -0.048) 4.541 4.239 ( 4.445 0.924 -0.048) 4.541 4.559 ( -4.434 -0.858 0.868) 4.599 4.559 ( -4.434 0.858 0.868) 4.599 4.823 ( 2.828 -1.822 -0.648) 3.426 4.823 ( 2.828 1.822 -0.648) 3.426 4.950 ( -3.531 -2.162 0.008) 4.140 4.950 ( -3.531 2.162 0.008) 4.140 5.303 ( -0.108 -0.931 -0.281) 0.978 5.303 ( -0.108 0.931 -0.281) 0.978 6.415 ( 2.193 -0.140 0.042) 2.198 6.415 ( 2.193 0.140 0.042) 2.198 6.657 ( 2.324 -0.910 -0.462) 2.538 6.657 ( 2.324 0.910 -0.462) 2.538 7.734 ( -6.714 -6.656 0.893) 9.497 7.734 ( -6.714 6.656 0.893) 9.497 8.594 ( 8.693 -1.403 -1.480) 8.929 8.594 ( 8.693 1.403 -1.480) 8.929 13.223 ( -3.687 -1.010 0.836) 3.913 13.223 ( -3.687 1.010 0.836) 3.913 13.552 ( -0.780 -0.848 0.065) 1.154 13.552 ( -0.780 0.848 0.065) 1.154 13.614 ( -2.312 -1.282 -0.527) 2.695 13.614 ( -2.312 1.282 -0.527) 2.695 13.980 ( -3.924 -0.952 -0.034) 4.038 13.980 ( -3.924 0.952 -0.034) 4.038 14.262 ( -1.446 -1.519 -2.100) 2.967 14.262 ( -1.446 1.519 -2.100) 2.967 ======================= Grid point 122 (68/96) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( -8.159 -4.953 -4.533) 10.566 0.430 ( -8.159 4.953 -4.533) 10.566 0.718 ( -3.636 -4.795 1.900) 6.311 0.718 ( -3.636 4.795 1.900) 6.311 1.118 ( -5.046 -9.663 1.401) 10.991 1.118 ( -5.046 9.663 1.401) 10.991 1.396 ( -2.333 -4.695 1.702) 5.512 1.396 ( -2.333 4.695 1.702) 5.512 1.543 ( -0.154 -0.982 -1.027) 1.429 1.543 ( -0.154 0.982 -1.027) 1.429 1.642 ( -8.241 -3.616 1.595) 9.140 1.642 ( -8.241 3.616 1.595) 9.140 1.816 ( -2.007 -1.836 2.412) 3.635 1.816 ( -2.007 1.836 2.412) 3.635 1.911 ( -5.199 -1.569 3.054) 6.230 1.911 ( -5.199 1.569 3.054) 6.230 2.194 ( 3.933 -1.966 1.133) 4.541 2.194 ( 3.933 1.966 1.133) 4.541 2.340 ( -3.652 -4.808 0.900) 6.104 2.340 ( -3.652 4.808 0.900) 6.104 2.630 ( -0.129 -5.479 -1.344) 5.643 2.630 ( -0.129 5.479 -1.344) 5.643 2.808 ( 1.539 -5.459 -0.647) 5.709 2.808 ( 1.539 5.459 -0.647) 5.709 2.879 ( 1.805 -2.297 -2.598) 3.909 2.879 ( 1.805 2.297 -2.598) 3.909 2.987 ( -3.197 -2.653 -0.358) 4.170 2.987 ( -3.197 2.653 -0.358) 4.170 3.182 ( -2.183 -3.052 1.695) 4.117 3.182 ( -2.183 3.052 1.695) 4.117 3.478 ( 1.951 -4.993 -1.566) 5.584 3.478 ( 1.951 4.993 -1.566) 5.584 3.681 ( 3.307 -3.664 0.658) 4.979 3.681 ( 3.307 3.664 0.658) 4.979 3.785 ( 2.305 -3.047 0.478) 3.851 3.785 ( 2.305 3.047 0.478) 3.851 4.084 ( 2.741 -1.282 -0.337) 3.045 4.084 ( 2.741 1.282 -0.337) 3.045 4.313 ( 3.743 -1.004 -0.534) 3.912 4.313 ( 3.743 1.004 -0.534) 3.912 4.477 ( -5.626 -0.952 0.511) 5.729 4.477 ( -5.626 0.952 0.511) 5.729 4.846 ( 0.123 -1.866 0.118) 1.874 4.846 ( 0.123 1.866 0.118) 1.874 4.929 ( 1.220 -3.683 -0.159) 3.883 4.929 ( 1.220 3.683 -0.159) 3.883 5.294 ( -0.605 -0.982 -0.246) 1.179 5.294 ( -0.605 0.982 -0.246) 1.179 6.445 ( 1.396 -0.508 -0.341) 1.524 6.445 ( 1.396 0.508 -0.341) 1.524 6.698 ( 2.567 -1.027 0.093) 2.767 6.698 ( 2.567 1.027 0.093) 2.767 7.543 ( -14.461 -9.805 -2.746) 17.686 7.543 ( -14.461 9.805 -2.746) 17.686 8.759 ( 10.729 -1.261 0.837) 10.835 8.759 ( 10.729 1.261 0.837) 10.835 13.161 ( -4.165 -1.290 0.391) 4.378 13.161 ( -4.165 1.290 0.391) 4.378 13.510 ( -3.113 -2.074 -0.493) 3.773 13.510 ( -3.113 2.074 -0.493) 3.773 13.592 ( -0.386 -0.950 -0.050) 1.027 13.592 ( -0.386 0.950 -0.050) 1.027 13.902 ( -4.048 -0.852 -0.783) 4.210 13.902 ( -4.048 0.852 -0.783) 4.210 14.193 ( -3.993 -4.228 -2.392) 6.288 14.193 ( -3.993 4.228 -2.392) 6.288 ======================= Grid point 124 (69/96) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.335 ( 2.110 -12.190 2.178) 12.562 0.335 ( 2.110 12.190 2.178) 12.562 0.757 ( -0.264 -6.206 7.430) 9.685 0.757 ( -0.264 6.206 7.430) 9.685 0.984 ( -14.237 -6.080 3.682) 15.913 0.984 ( -14.237 6.080 3.682) 15.913 1.312 ( -7.263 -10.499 0.749) 12.789 1.312 ( -7.263 10.499 0.749) 12.789 1.470 ( -2.174 -4.495 -1.525) 5.221 1.470 ( -2.174 4.495 -1.525) 5.221 1.640 ( 2.196 -3.257 1.913) 4.369 1.640 ( 2.196 3.257 1.913) 4.369 1.750 ( -2.095 -3.007 -0.468) 3.694 1.750 ( -2.095 3.007 -0.468) 3.694 1.952 ( 0.135 -4.041 4.165) 5.805 1.952 ( 0.135 4.041 4.165) 5.805 2.256 ( 0.610 -3.929 1.449) 4.232 2.256 ( 0.610 3.929 1.449) 4.232 2.340 ( 1.775 -5.911 1.046) 6.260 2.340 ( 1.775 5.911 1.046) 6.260 2.603 ( -1.006 -6.040 -0.808) 6.176 2.603 ( -1.006 6.040 -0.808) 6.176 2.831 ( 0.293 -4.427 -1.254) 4.611 2.831 ( 0.293 4.427 -1.254) 4.611 2.854 ( 1.220 -1.095 -2.916) 3.345 2.854 ( 1.220 1.095 -2.916) 3.345 2.961 ( 0.499 -2.619 -0.420) 2.699 2.961 ( 0.499 2.619 -0.420) 2.699 3.172 ( -1.243 -3.737 1.673) 4.278 3.172 ( -1.243 3.737 1.673) 4.278 3.475 ( 0.106 -5.249 -1.818) 5.556 3.475 ( 0.106 5.249 -1.818) 5.556 3.734 ( 1.752 -2.996 1.494) 3.779 3.734 ( 1.752 2.996 1.494) 3.779 3.833 ( 2.841 -2.637 -0.824) 3.963 3.833 ( 2.841 2.637 -0.824) 3.963 4.127 ( 2.623 -1.252 -0.784) 3.011 4.127 ( 2.623 1.252 -0.784) 3.011 4.341 ( 0.373 -0.761 -0.422) 0.947 4.341 ( 0.373 0.761 -0.422) 0.947 4.395 ( -4.121 -0.921 0.274) 4.231 4.395 ( -4.121 0.921 0.274) 4.231 4.850 ( -0.115 -1.890 0.862) 2.081 4.850 ( -0.115 1.890 0.862) 2.081 4.957 ( 1.940 -3.050 -0.665) 3.675 4.957 ( 1.940 3.050 -0.665) 3.675 5.281 ( -0.372 -1.075 -0.395) 1.204 5.281 ( -0.372 1.075 -0.395) 1.204 6.459 ( 0.857 -0.818 -0.315) 1.226 6.459 ( 0.857 0.818 -0.315) 1.226 6.740 ( 1.789 -0.527 0.567) 1.950 6.740 ( 1.789 0.527 0.567) 1.950 7.226 ( -16.076 -5.124 -2.509) 17.059 7.226 ( -16.076 5.124 -2.509) 17.059 8.958 ( 8.777 -2.416 3.214) 9.654 8.958 ( 8.777 2.416 3.214) 9.654 13.099 ( -2.979 -1.184 -0.071) 3.206 13.099 ( -2.979 1.184 -0.071) 3.206 13.459 ( -1.566 -1.956 -1.215) 2.785 13.459 ( -1.566 1.956 -1.215) 2.785 13.584 ( -0.575 -0.515 0.116) 0.780 13.584 ( -0.575 0.515 0.116) 0.780 13.841 ( -1.542 -1.734 -1.072) 2.556 13.841 ( -1.542 1.734 -1.072) 2.556 14.076 ( -5.570 -2.373 -2.708) 6.632 14.076 ( -5.570 2.373 -2.708) 6.632 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( -8.458 0.000 5.335) 10.000 0.623 ( 9.522 0.000 -4.183) 10.400 0.839 ( -10.920 0.000 7.994) 13.533 0.937 ( 3.797 0.000 -1.901) 4.247 0.949 ( 6.366 0.000 7.232) 9.635 0.980 ( -2.087 0.000 9.409) 9.637 1.052 ( -1.149 0.000 0.156) 1.159 1.218 ( -1.749 0.000 -10.461) 10.606 1.438 ( 6.482 0.000 1.642) 6.687 1.492 ( -3.842 0.000 -3.313) 5.073 1.606 ( -0.183 0.000 3.726) 3.730 1.675 ( -1.015 0.000 -2.870) 3.044 1.851 ( -1.241 0.000 3.020) 3.265 1.911 ( 0.154 0.000 -1.407) 1.416 1.938 ( -2.168 0.000 1.967) 2.927 1.986 ( 3.569 0.000 -1.473) 3.861 2.225 ( -4.151 0.000 1.506) 4.416 2.249 ( 3.140 0.000 -1.019) 3.301 2.492 ( 2.350 0.000 2.030) 3.105 2.500 ( 1.409 0.000 1.911) 2.374 2.582 ( 0.659 0.000 -1.266) 1.428 2.596 ( -0.808 0.000 -1.744) 1.922 2.701 ( -0.384 0.000 -0.692) 0.791 2.707 ( 0.085 0.000 -1.315) 1.318 2.866 ( 1.993 0.000 0.911) 2.191 2.884 ( -1.624 0.000 -0.852) 1.834 2.982 ( -5.339 0.000 4.408) 6.924 3.028 ( -0.824 0.000 -0.710) 1.087 3.081 ( 2.411 0.000 0.207) 2.420 3.139 ( 3.533 0.000 -5.202) 6.289 3.479 ( 4.270 0.000 1.776) 4.624 3.514 ( -3.994 0.000 -1.573) 4.293 3.675 ( -0.742 0.000 1.520) 1.691 3.704 ( -0.530 0.000 -1.400) 1.497 3.862 ( -1.819 0.000 0.082) 1.821 3.863 ( 1.632 0.000 0.144) 1.638 4.107 ( -2.369 0.000 1.724) 2.930 4.142 ( 2.002 0.000 -1.922) 2.775 4.307 ( -1.405 0.000 0.160) 1.414 4.312 ( 0.819 0.000 -0.293) 0.870 4.384 ( 1.507 0.000 0.474) 1.580 4.385 ( -1.211 0.000 0.492) 1.307 4.855 ( 1.344 0.000 1.530) 2.036 4.877 ( -1.881 0.000 -0.774) 2.034 4.950 ( 2.223 0.000 1.415) 2.635 4.984 ( -1.268 0.000 -1.810) 2.210 5.257 ( -1.317 0.000 1.236) 1.806 5.282 ( 1.317 0.000 -1.235) 1.805 6.461 ( 0.929 0.000 0.315) 0.981 6.469 ( -0.548 0.000 -0.489) 0.735 6.775 ( 0.083 0.000 0.178) 0.197 6.779 ( 0.403 0.000 -0.259) 0.479 7.045 ( -4.074 0.000 0.210) 4.080 7.051 ( 2.453 0.000 -0.305) 2.472 9.106 ( -0.802 0.000 4.326) 4.400 9.185 ( 2.144 0.000 -3.659) 4.241 13.057 ( 0.981 0.000 0.269) 1.017 13.065 ( -0.730 0.000 -0.539) 0.907 13.387 ( -1.369 0.000 1.766) 2.235 13.420 ( 0.641 0.000 -1.608) 1.731 13.576 ( 0.873 0.000 0.126) 0.882 13.578 ( -0.917 0.000 0.039) 0.918 13.807 ( -1.866 0.000 1.168) 2.202 13.833 ( 4.171 0.000 -1.887) 4.578 13.941 ( -2.487 0.000 0.094) 2.489 13.964 ( 0.642 0.000 -1.865) 1.973 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( -10.655 0.000 2.951) 11.056 0.694 ( 3.060 0.000 -3.658) 4.769 0.892 ( 4.421 0.000 4.982) 6.661 0.929 ( -2.908 0.000 -4.483) 5.344 1.066 ( -1.459 0.000 -8.916) 9.034 1.128 ( 8.921 0.000 6.806) 11.221 1.179 ( 12.688 0.000 2.708) 12.974 1.206 ( 17.925 0.000 2.746) 18.134 1.365 ( -5.321 0.000 -4.462) 6.945 1.533 ( 2.617 0.000 0.800) 2.736 1.649 ( 2.182 0.000 -2.540) 3.349 1.665 ( 1.062 0.000 4.257) 4.387 1.864 ( -0.346 0.000 1.806) 1.839 1.892 ( -2.579 0.000 3.186) 4.099 1.903 ( -1.331 0.000 -2.951) 3.237 2.015 ( 2.061 0.000 -2.326) 3.108 2.167 ( -4.668 0.000 1.698) 4.968 2.273 ( 0.239 0.000 -0.530) 0.582 2.500 ( 0.455 0.000 -3.396) 3.426 2.522 ( 1.257 0.000 -3.395) 3.620 2.596 ( 2.799 0.000 0.290) 2.814 2.613 ( 1.993 0.000 0.108) 1.996 2.699 ( 0.139 0.000 0.123) 0.185 2.704 ( 0.437 0.000 0.870) 0.974 2.856 ( -0.045 0.000 -1.193) 1.194 2.916 ( 1.416 0.000 0.406) 1.473 2.952 ( -3.629 0.000 6.104) 7.102 3.010 ( -1.468 0.000 1.290) 1.954 3.112 ( 1.378 0.000 -0.550) 1.484 3.134 ( 3.213 0.000 -5.821) 6.649 3.436 ( -2.263 0.000 -2.054) 3.057 3.570 ( 3.560 0.000 1.768) 3.975 3.661 ( -3.152 0.000 -0.523) 3.195 3.670 ( -2.397 0.000 2.235) 3.278 3.834 ( -1.381 0.000 0.047) 1.382 3.887 ( 1.005 0.000 0.130) 1.014 4.066 ( -4.915 0.000 2.124) 5.354 4.136 ( -0.517 0.000 -1.524) 1.609 4.276 ( -2.468 0.000 0.164) 2.474 4.300 ( -1.870 0.000 0.203) 1.881 4.399 ( 2.352 0.000 -0.066) 2.353 4.434 ( 3.678 0.000 0.332) 3.693 4.828 ( -2.503 0.000 -0.860) 2.646 4.892 ( 1.112 0.000 1.369) 1.763 4.939 ( -1.193 0.000 -2.446) 2.721 4.996 ( 1.274 0.000 1.121) 1.696 5.257 ( -0.287 0.000 1.169) 1.203 5.296 ( 1.838 0.000 -1.204) 2.198 6.444 ( -1.439 0.000 -0.535) 1.535 6.467 ( -0.584 0.000 0.023) 0.584 6.762 ( -1.543 0.000 -0.385) 1.590 6.764 ( -1.546 0.000 -0.212) 1.560 7.100 ( 8.507 0.000 0.017) 8.507 7.197 ( 12.706 0.000 2.484) 12.947 9.050 ( -9.858 0.000 2.235) 10.108 9.081 ( -7.985 0.000 -4.508) 9.170 13.077 ( 2.763 0.000 -0.641) 2.837 13.104 ( 3.811 0.000 0.365) 3.829 13.407 ( 1.052 0.000 2.206) 2.444 13.443 ( 3.824 0.000 -1.209) 4.011 13.555 ( -1.434 0.000 -0.192) 1.447 13.587 ( 0.433 0.000 0.416) 0.601 13.831 ( 4.187 0.000 -0.944) 4.292 13.917 ( 6.749 0.000 -3.765) 7.728 13.945 ( 0.648 0.000 2.101) 2.199 14.003 ( 6.034 0.000 1.783) 6.292 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.269 ( -9.079 0.000 5.351) 10.539 0.694 ( 2.749 0.000 -2.822) 3.939 0.809 ( -1.085 0.000 -8.897) 8.963 0.945 ( 3.034 0.000 -6.174) 6.879 1.027 ( 4.191 0.000 -3.155) 5.246 1.224 ( -4.681 0.000 -3.081) 5.604 1.264 ( 0.810 0.000 6.681) 6.729 1.500 ( 12.464 0.000 1.067) 12.510 1.540 ( 1.883 0.000 2.326) 2.993 1.590 ( 13.764 0.000 -0.236) 13.767 1.723 ( 2.129 0.000 4.506) 4.984 1.725 ( 11.200 0.000 -1.628) 11.318 1.837 ( -1.683 0.000 -2.460) 2.980 1.874 ( 0.349 0.000 -0.964) 1.026 1.915 ( 0.662 0.000 4.060) 4.114 2.021 ( 3.907 0.000 -3.463) 5.221 2.097 ( -5.182 0.000 0.628) 5.220 2.241 ( -1.015 0.000 -2.387) 2.593 2.468 ( 1.696 0.000 -4.971) 5.253 2.506 ( 2.568 0.000 -4.225) 4.944 2.624 ( 0.831 0.000 -1.924) 2.095 2.643 ( 1.988 0.000 -0.471) 2.043 2.699 ( -0.682 0.000 0.076) 0.686 2.739 ( -0.052 0.000 3.642) 3.643 2.864 ( 1.722 0.000 -0.164) 1.730 2.903 ( -3.647 0.000 3.727) 5.215 3.007 ( 2.033 0.000 2.254) 3.035 3.018 ( 0.846 0.000 1.300) 1.551 3.123 ( 2.425 0.000 -4.115) 4.776 3.126 ( 1.975 0.000 -0.971) 2.200 3.403 ( 0.922 0.000 -1.398) 1.674 3.584 ( -5.192 0.000 -0.247) 5.198 3.631 ( 0.606 0.000 2.088) 2.174 3.635 ( -4.063 0.000 0.882) 4.157 3.820 ( 0.094 0.000 -0.531) 0.540 3.899 ( -0.112 0.000 0.429) 0.444 3.993 ( -6.845 0.000 3.132) 7.528 4.088 ( -2.574 0.000 -2.191) 3.380 4.228 ( -3.129 0.000 0.097) 3.131 4.265 ( -2.369 0.000 0.214) 2.379 4.451 ( 2.576 0.000 1.120) 2.809 4.519 ( 5.494 0.000 0.719) 5.541 4.779 ( -2.334 0.000 -0.735) 2.447 4.895 ( -0.093 0.000 -2.345) 2.347 4.925 ( 1.528 0.000 0.370) 1.572 5.015 ( -0.105 0.000 0.644) 0.652 5.270 ( 0.122 0.000 1.037) 1.044 5.313 ( 1.571 0.000 -1.218) 1.987 6.415 ( -1.460 0.000 0.051) 1.461 6.445 ( -1.894 0.000 -0.023) 1.894 6.713 ( -3.109 0.000 -1.006) 3.268 6.727 ( -2.367 0.000 -0.260) 2.381 7.293 ( 12.508 0.000 0.980) 12.547 7.494 ( 13.600 0.000 7.130) 15.355 8.850 ( -13.270 0.000 -0.495) 13.279 8.852 ( -11.881 0.000 -4.200) 12.602 13.136 ( 4.595 0.000 -0.537) 4.626 13.181 ( 4.234 0.000 0.484) 4.262 13.467 ( 2.521 0.000 2.546) 3.583 13.511 ( 5.236 0.000 -1.475) 5.440 13.533 ( -0.941 0.000 0.105) 0.947 13.608 ( 1.343 0.000 0.647) 1.491 13.901 ( 5.508 0.000 -2.181) 5.924 13.968 ( 4.503 0.000 -2.873) 5.341 14.005 ( 2.976 0.000 2.997) 4.223 14.180 ( 9.175 0.000 2.617) 9.541 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( -1.013 0.000 11.824) 11.867 0.751 ( 7.076 0.000 -2.379) 7.465 0.754 ( 6.282 0.000 -5.947) 8.650 0.972 ( 7.235 0.000 -5.275) 8.954 1.029 ( 2.202 0.000 -4.953) 5.421 1.133 ( -1.297 0.000 -2.424) 2.749 1.347 ( 0.143 0.000 5.197) 5.198 1.543 ( -2.704 0.000 3.782) 4.649 1.577 ( 0.189 0.000 -1.036) 1.053 1.598 ( -4.727 0.000 -3.050) 5.626 1.738 ( -6.126 0.000 1.420) 6.288 1.831 ( -0.039 0.000 -3.652) 3.652 1.878 ( 2.925 0.000 -1.982) 3.533 1.961 ( 4.518 0.000 1.693) 4.825 1.991 ( -3.154 0.000 1.890) 3.677 2.071 ( 11.073 0.000 3.229) 11.535 2.077 ( 3.986 0.000 -3.378) 5.225 2.300 ( 14.494 0.000 -4.171) 15.082 2.451 ( 3.345 0.000 -5.565) 6.493 2.518 ( 3.665 0.000 -3.200) 4.866 2.618 ( 2.348 0.000 -3.014) 3.821 2.640 ( -5.086 0.000 2.458) 5.649 2.686 ( 3.143 0.000 -3.023) 4.361 2.760 ( -3.790 0.000 5.260) 6.484 2.888 ( -0.133 0.000 1.357) 1.363 2.892 ( -1.891 0.000 2.886) 3.450 3.043 ( 2.166 0.000 -2.820) 3.556 3.045 ( 1.693 0.000 -0.739) 1.847 3.157 ( 4.382 0.000 0.605) 4.424 3.175 ( 4.110 0.000 0.148) 4.112 3.433 ( 2.975 0.000 -0.148) 2.979 3.474 ( -7.690 0.000 0.329) 7.697 3.545 ( -5.810 0.000 -1.293) 5.952 3.636 ( -2.746 0.000 1.885) 3.331 3.829 ( 2.044 0.000 -1.099) 2.321 3.891 ( -1.895 0.000 1.256) 2.274 3.915 ( -6.699 0.000 4.318) 7.970 4.012 ( -2.322 0.000 -2.986) 3.782 4.181 ( -2.249 0.000 0.150) 2.254 4.224 ( -2.414 0.000 -0.191) 2.422 4.497 ( 0.846 0.000 1.690) 1.890 4.618 ( 4.182 0.000 -0.042) 4.182 4.728 ( -2.193 0.000 -0.094) 2.195 4.909 ( 4.083 0.000 -1.053) 4.217 4.936 ( -0.855 0.000 -0.608) 1.049 5.024 ( 1.510 0.000 -0.274) 1.534 5.279 ( -0.303 0.000 0.887) 0.937 5.319 ( 0.810 0.000 -1.246) 1.486 6.395 ( -1.462 0.000 0.668) 1.607 6.408 ( -2.360 0.000 0.239) 2.372 6.646 ( -2.847 0.000 -1.003) 3.018 6.681 ( -2.465 0.000 -0.349) 2.490 7.525 ( 11.638 0.000 2.672) 11.941 7.750 ( 5.440 0.000 7.483) 9.252 8.621 ( -9.160 0.000 -3.248) 9.718 8.631 ( -10.095 0.000 -1.509) 10.207 13.209 ( 4.190 0.000 -0.303) 4.200 13.248 ( 2.606 0.000 0.578) 2.670 13.522 ( 0.051 0.000 0.843) 0.845 13.548 ( 2.405 0.000 2.386) 3.388 13.561 ( 1.636 0.000 -0.670) 1.768 13.649 ( 3.632 0.000 -1.218) 3.831 13.965 ( 4.415 0.000 -1.558) 4.682 14.007 ( 2.776 0.000 -1.577) 3.193 14.105 ( 4.483 0.000 2.968) 5.376 14.324 ( 4.900 0.000 0.601) 4.937 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 1.127 0.000 11.556) 11.610 0.790 ( 1.950 0.000 -9.018) 9.226 0.881 ( 7.455 0.000 2.412) 7.835 1.016 ( 6.204 0.000 -4.540) 7.688 1.100 ( 7.893 0.000 0.679) 7.923 1.145 ( 4.681 0.000 0.723) 4.736 1.329 ( -7.248 0.000 0.110) 7.249 1.422 ( -11.006 0.000 -3.613) 11.584 1.531 ( -3.880 0.000 3.210) 5.036 1.565 ( 2.938 0.000 -2.922) 4.143 1.679 ( -1.080 0.000 2.136) 2.393 1.798 ( -0.006 0.000 -3.022) 3.022 1.851 ( 0.333 0.000 -2.879) 2.898 1.892 ( -6.150 0.000 0.347) 6.160 2.033 ( -0.585 0.000 3.737) 3.783 2.107 ( 4.395 0.000 -3.719) 5.758 2.285 ( 4.489 0.000 4.787) 6.562 2.438 ( 3.954 0.000 -4.244) 5.801 2.466 ( 4.981 0.000 -3.736) 6.227 2.520 ( -5.688 0.000 -0.177) 5.691 2.602 ( 2.179 0.000 0.810) 2.325 2.644 ( 4.265 0.000 -3.441) 5.480 2.731 ( -5.338 0.000 4.282) 6.843 2.737 ( 6.338 0.000 -2.990) 7.008 2.899 ( -0.729 0.000 1.834) 1.973 2.899 ( 0.307 0.000 1.218) 1.256 3.041 ( 1.254 0.000 -1.984) 2.347 3.055 ( 0.626 0.000 -1.444) 1.574 3.253 ( 4.464 0.000 1.104) 4.599 3.256 ( 5.202 0.000 -0.110) 5.203 3.346 ( -6.455 0.000 0.595) 6.483 3.383 ( -8.127 0.000 -0.151) 8.129 3.531 ( 5.824 0.000 -1.198) 5.946 3.585 ( -4.991 0.000 1.431) 5.192 3.861 ( 3.075 0.000 -1.263) 3.324 3.866 ( -3.310 0.000 2.421) 4.101 3.869 ( -4.171 0.000 4.158) 5.889 3.958 ( 0.541 0.000 -3.407) 3.450 4.160 ( -0.235 0.000 0.031) 0.237 4.182 ( -1.794 0.000 -0.595) 1.890 4.525 ( 0.382 0.000 1.913) 1.951 4.607 ( -2.033 0.000 -2.132) 2.946 4.764 ( 3.577 0.000 2.272) 4.238 4.886 ( -3.081 0.000 -1.483) 3.419 4.984 ( 4.241 0.000 -0.076) 4.242 5.040 ( -0.003 0.000 -0.886) 0.886 5.282 ( -0.299 0.000 0.878) 0.928 5.313 ( 0.194 0.000 -1.251) 1.266 6.378 ( -1.182 0.000 0.402) 1.248 6.379 ( -0.963 0.000 0.463) 1.069 6.613 ( -0.031 0.000 -0.250) 0.252 6.639 ( -1.692 0.000 -0.562) 1.783 7.732 ( 8.621 0.000 2.768) 9.055 7.835 ( -2.445 0.000 3.545) 4.307 8.491 ( -2.296 0.000 -2.075) 3.095 8.492 ( -4.360 0.000 -0.860) 4.444 13.264 ( 2.204 0.000 0.040) 2.204 13.277 ( -0.057 0.000 0.581) 0.584 13.534 ( 0.591 0.000 0.631) 0.865 13.561 ( -0.605 0.000 -0.301) 0.676 13.609 ( 0.735 0.000 2.777) 2.872 13.684 ( 2.630 0.000 -2.789) 3.833 14.010 ( 2.073 0.000 -0.837) 2.236 14.021 ( 0.145 0.000 -0.520) 0.540 14.216 ( 4.387 0.000 3.073) 5.356 14.356 ( 0.371 0.000 -2.600) 2.626 ======================= Grid point 140 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 1.612 0.000 11.000) 11.117 0.668 ( -0.092 0.000 -12.508) 12.508 0.942 ( -4.523 0.000 3.059) 5.460 0.975 ( -6.388 0.000 -6.302) 8.973 1.139 ( -9.652 0.000 -3.049) 10.122 1.175 ( -7.826 0.000 -2.495) 8.214 1.305 ( 9.585 0.000 2.698) 9.958 1.327 ( 9.637 0.000 5.133) 10.919 1.522 ( -0.214 0.000 1.188) 1.207 1.615 ( 7.386 0.000 -4.649) 8.727 1.726 ( 0.793 0.000 4.004) 4.082 1.731 ( -1.833 0.000 -3.219) 3.704 1.804 ( -4.544 0.000 2.007) 4.968 1.889 ( 3.908 0.000 0.673) 3.965 2.037 ( -3.134 0.000 3.151) 4.445 2.118 ( 1.859 0.000 -4.869) 5.211 2.316 ( -7.832 0.000 6.706) 10.311 2.384 ( -6.990 0.000 1.642) 7.181 2.393 ( -7.650 0.000 -2.538) 8.060 2.516 ( 0.698 0.000 -0.044) 0.699 2.601 ( -2.247 0.000 0.537) 2.311 2.650 ( 0.219 0.000 -1.229) 1.249 2.689 ( -2.414 0.000 0.173) 2.420 2.818 ( 7.443 0.000 -4.245) 8.568 2.904 ( -0.249 0.000 1.102) 1.130 2.916 ( 0.167 0.000 0.393) 0.427 3.030 ( -1.490 0.000 -1.098) 1.851 3.039 ( -0.505 0.000 -0.226) 0.553 3.237 ( -4.711 0.000 1.639) 4.988 3.262 ( -5.887 0.000 0.452) 5.904 3.359 ( 7.624 0.000 -1.040) 7.694 3.388 ( 7.844 0.000 -0.405) 7.855 3.509 ( -5.204 0.000 0.870) 5.276 3.621 ( 5.958 0.000 -1.797) 6.223 3.828 ( -3.490 0.000 1.965) 4.006 3.878 ( -0.957 0.000 4.712) 4.809 3.897 ( 2.578 0.000 -1.378) 2.924 3.956 ( 3.828 0.000 -3.836) 5.420 4.162 ( 0.229 0.000 -0.247) 0.337 4.176 ( 2.088 0.000 0.047) 2.088 4.554 ( -1.727 0.000 -1.113) 2.054 4.561 ( 0.905 0.000 2.519) 2.676 4.811 ( -2.703 0.000 -2.478) 3.667 4.854 ( 3.853 0.000 1.717) 4.218 4.987 ( -4.936 0.000 -0.466) 4.958 5.024 ( -0.162 0.000 0.703) 0.721 5.291 ( -0.073 0.000 0.961) 0.964 5.304 ( 0.498 0.000 -1.257) 1.352 6.382 ( 1.178 0.000 0.154) 1.188 6.383 ( 1.207 0.000 -0.035) 1.208 6.615 ( -0.186 0.000 -0.539) 0.570 6.633 ( 2.089 0.000 0.123) 2.092 7.763 ( -7.776 0.000 -0.196) 7.778 7.871 ( 5.285 0.000 0.218) 5.290 8.468 ( 2.178 0.000 0.154) 2.183 8.495 ( 4.586 0.000 -1.226) 4.747 13.259 ( -2.744 0.000 0.535) 2.796 13.281 ( -0.571 0.000 0.286) 0.639 13.546 ( -0.451 0.000 -0.511) 0.681 13.551 ( 0.209 0.000 0.694) 0.725 13.630 ( -1.569 0.000 2.522) 2.970 13.668 ( -0.543 0.000 -3.173) 3.219 14.000 ( -2.292 0.000 0.102) 2.294 14.013 ( -1.263 0.000 0.184) 1.276 14.293 ( -2.602 0.000 -4.502) 5.200 14.314 ( 3.472 0.000 1.811) 3.916 ======================= Grid point 141 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 1.639 0.000 -12.700) 12.805 0.681 ( -3.529 0.000 5.252) 6.328 0.715 ( -13.149 0.000 -2.546) 13.393 0.853 ( -7.822 0.000 5.372) 9.489 0.981 ( -6.008 0.000 0.349) 6.018 1.100 ( -0.274 0.000 0.467) 0.542 1.439 ( 3.474 0.000 -3.657) 5.044 1.520 ( 5.441 0.000 4.596) 7.122 1.550 ( 2.428 0.000 1.605) 2.911 1.629 ( 0.084 0.000 -4.597) 4.598 1.750 ( -1.245 0.000 4.403) 4.576 1.761 ( 7.536 0.000 -1.598) 7.704 1.817 ( -1.676 0.000 3.963) 4.303 1.946 ( -1.991 0.000 2.636) 3.303 2.006 ( -5.740 0.000 3.389) 6.666 2.063 ( 0.211 0.000 -5.394) 5.398 2.147 ( -14.034 0.000 -3.205) 14.395 2.172 ( -15.843 0.000 8.413) 17.938 2.338 ( -3.475 0.000 5.416) 6.435 2.468 ( -4.395 0.000 1.436) 4.623 2.585 ( 0.066 0.000 0.147) 0.161 2.636 ( -2.734 0.000 2.229) 3.527 2.698 ( 4.644 0.000 -3.153) 5.613 2.856 ( 1.584 0.000 -4.022) 4.323 2.920 ( 1.244 0.000 -0.782) 1.470 2.947 ( 5.177 0.000 -2.636) 5.810 2.989 ( -2.960 0.000 1.136) 3.171 3.019 ( -1.733 0.000 1.427) 2.245 3.173 ( -4.735 0.000 -0.543) 4.766 3.176 ( -3.977 0.000 0.300) 3.988 3.431 ( -3.804 0.000 0.166) 3.808 3.480 ( 6.805 0.000 -0.310) 6.812 3.529 ( 7.577 0.000 0.217) 7.580 3.677 ( 2.879 0.000 -2.122) 3.577 3.800 ( -1.889 0.000 1.759) 2.581 3.913 ( 0.958 0.000 -1.090) 1.451 3.940 ( 2.110 0.000 4.283) 4.774 3.997 ( 5.733 0.000 -3.783) 6.869 4.184 ( 2.449 0.000 -0.132) 2.452 4.225 ( 3.332 0.000 -0.195) 3.338 4.518 ( -1.859 0.000 -0.377) 1.896 4.589 ( -2.403 0.000 2.481) 3.454 4.755 ( 0.587 0.000 -2.639) 2.703 4.892 ( -5.173 0.000 0.619) 5.210 4.919 ( 1.325 0.000 1.099) 1.721 5.014 ( -0.875 0.000 0.683) 1.110 5.296 ( -0.807 0.000 1.114) 1.375 5.300 ( 0.577 0.000 -1.220) 1.350 6.408 ( 1.492 0.000 -0.449) 1.558 6.413 ( 2.296 0.000 -0.308) 2.317 6.631 ( 2.277 0.000 0.395) 2.311 6.677 ( 2.744 0.000 0.065) 2.744 7.577 ( -11.922 0.000 -2.244) 12.132 7.893 ( -0.131 0.000 -6.101) 6.103 8.571 ( 8.416 0.000 1.715) 8.589 8.609 ( 9.480 0.000 0.242) 9.483 13.201 ( -4.425 0.000 0.475) 4.450 13.251 ( -3.186 0.000 0.317) 3.202 13.537 ( 0.321 0.000 -0.716) 0.785 13.539 ( -3.414 0.000 1.498) 3.728 13.602 ( -2.821 0.000 -2.966) 4.093 13.625 ( -1.079 0.000 1.141) 1.570 13.948 ( -3.645 0.000 0.074) 3.646 13.974 ( -4.283 0.000 1.519) 4.544 14.182 ( -3.846 0.000 -4.631) 6.020 14.356 ( 0.887 0.000 -2.085) 2.265 ======================= Grid point 142 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 2.418 0.000 -8.960) 9.281 0.619 ( -6.239 0.000 3.750) 7.279 0.626 ( -0.862 0.000 7.879) 7.926 0.814 ( -4.812 0.000 6.864) 8.383 0.956 ( -2.033 0.000 4.363) 4.813 1.157 ( 4.698 0.000 2.159) 5.171 1.403 ( 0.654 0.000 -6.030) 6.065 1.516 ( -14.759 0.000 -0.098) 14.760 1.563 ( -9.860 0.000 2.099) 10.081 1.591 ( -0.655 0.000 -2.045) 2.147 1.678 ( -10.690 0.000 2.936) 11.086 1.755 ( -8.486 0.000 0.717) 8.516 1.824 ( 0.979 0.000 4.399) 4.506 1.854 ( 2.219 0.000 -4.078) 4.643 1.926 ( -4.633 0.000 5.634) 7.294 1.971 ( -3.070 0.000 -1.468) 3.403 2.103 ( 5.593 0.000 -0.424) 5.610 2.167 ( 2.777 0.000 5.162) 5.862 2.372 ( -0.008 0.000 4.688) 4.688 2.429 ( -3.155 0.000 3.114) 4.433 2.599 ( 0.875 0.000 0.436) 0.977 2.626 ( -0.781 0.000 1.000) 1.269 2.722 ( 1.197 0.000 -1.862) 2.214 2.810 ( -1.709 0.000 -3.258) 3.679 2.885 ( -2.410 0.000 -2.308) 3.337 2.957 ( -0.590 0.000 -1.607) 1.712 2.991 ( -0.578 0.000 3.919) 3.961 3.060 ( 5.654 0.000 -2.471) 6.171 3.093 ( -3.384 0.000 -1.000) 3.528 3.112 ( -3.172 0.000 -0.173) 3.177 3.386 ( -1.424 0.000 0.449) 1.493 3.574 ( 3.845 0.000 0.738) 3.915 3.644 ( 5.577 0.000 -0.293) 5.585 3.669 ( -0.836 0.000 -1.682) 1.879 3.806 ( 0.612 0.000 0.887) 1.078 3.908 ( -0.384 0.000 -0.508) 0.637 4.032 ( 3.060 0.000 3.400) 4.574 4.056 ( 5.617 0.000 -3.239) 6.484 4.233 ( 3.404 0.000 -0.377) 3.425 4.274 ( 2.908 0.000 -0.699) 2.991 4.469 ( -3.521 0.000 -0.516) 3.559 4.519 ( -6.518 0.000 0.826) 6.570 4.780 ( 3.193 0.000 -0.983) 3.341 4.852 ( -1.009 0.000 2.041) 2.277 4.923 ( -1.063 0.000 0.461) 1.159 5.023 ( 0.815 0.000 -0.145) 0.828 5.288 ( -1.592 0.000 1.231) 2.013 5.293 ( 0.168 0.000 -1.279) 1.290 6.421 ( 0.972 0.000 -0.470) 1.080 6.447 ( 1.953 0.000 -0.314) 1.978 6.692 ( 3.227 0.000 1.141) 3.422 6.723 ( 2.404 0.000 0.127) 2.408 7.329 ( -13.159 0.000 -2.309) 13.360 7.683 ( -12.631 0.000 -12.197) 17.559 8.774 ( 11.047 0.000 3.498) 11.587 8.826 ( 14.012 0.000 1.895) 14.140 13.128 ( -4.436 0.000 0.336) 4.448 13.185 ( -4.577 0.000 0.151) 4.579 13.478 ( -5.294 0.000 1.789) 5.588 13.519 ( -2.959 0.000 -2.483) 3.863 13.540 ( 1.013 0.000 -0.811) 1.297 13.614 ( -1.238 0.000 0.087) 1.241 13.885 ( -3.220 0.000 -0.494) 3.258 13.909 ( -5.740 0.000 2.700) 6.344 14.072 ( -3.192 0.000 -3.787) 4.953 14.272 ( -5.434 0.000 -6.531) 8.496 ======================= Grid point 143 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 11.224 0.000 -4.391) 12.053 0.581 ( -6.070 0.000 7.093) 9.336 0.769 ( 2.943 0.000 11.295) 11.672 0.866 ( 0.064 0.000 8.626) 8.627 0.955 ( -2.020 0.000 1.432) 2.476 1.114 ( -26.232 0.000 4.153) 26.559 1.248 ( -18.851 0.000 -1.128) 18.884 1.293 ( 5.913 0.000 2.466) 6.407 1.338 ( 1.222 0.000 -8.469) 8.557 1.560 ( -0.982 0.000 -1.870) 2.112 1.606 ( -3.123 0.000 1.362) 3.407 1.721 ( -1.222 0.000 -0.411) 1.289 1.844 ( -0.821 0.000 0.834) 1.170 1.888 ( 3.304 0.000 -0.112) 3.306 1.939 ( -2.431 0.000 5.018) 5.576 1.949 ( 2.274 0.000 -1.911) 2.970 2.192 ( 4.943 0.000 -0.918) 5.028 2.250 ( 0.327 0.000 1.891) 1.919 2.429 ( 1.144 0.000 3.678) 3.852 2.442 ( -0.159 0.000 4.460) 4.463 2.610 ( -1.250 0.000 -1.220) 1.747 2.614 ( 0.294 0.000 -0.132) 0.322 2.714 ( 0.574 0.000 -1.130) 1.267 2.740 ( -2.080 0.000 -2.464) 3.225 2.844 ( -0.255 0.000 -0.168) 0.305 2.923 ( -2.013 0.000 -0.293) 2.034 3.019 ( -4.143 0.000 5.578) 6.948 3.044 ( 1.149 0.000 -1.872) 2.197 3.056 ( -0.213 0.000 -2.942) 2.950 3.123 ( 3.965 0.000 -2.957) 4.946 3.402 ( 2.195 0.000 1.294) 2.548 3.591 ( -3.102 0.000 -0.346) 3.121 3.657 ( 1.687 0.000 -0.171) 1.695 3.705 ( 2.522 0.000 -1.361) 2.866 3.832 ( 1.447 0.000 0.434) 1.510 3.890 ( -1.294 0.000 -0.141) 1.302 4.101 ( 0.867 0.000 2.130) 2.299 4.111 ( 4.398 0.000 -2.520) 5.069 4.284 ( 2.843 0.000 -0.521) 2.891 4.308 ( 1.771 0.000 -0.633) 1.881 4.397 ( -3.617 0.000 0.068) 3.618 4.428 ( -4.753 0.000 0.981) 4.853 4.816 ( 1.788 0.000 0.380) 1.828 4.892 ( 2.113 0.000 2.056) 2.948 4.907 ( -1.087 0.000 -0.177) 1.101 5.018 ( -0.610 0.000 -1.098) 1.256 5.272 ( -1.871 0.000 1.258) 2.255 5.281 ( 0.394 0.000 -1.290) 1.348 6.438 ( 1.232 0.000 0.138) 1.240 6.470 ( 0.936 0.000 -0.290) 0.980 6.752 ( 2.298 0.000 0.722) 2.409 6.759 ( 1.454 0.000 0.257) 1.477 7.115 ( -8.323 0.000 -1.253) 8.417 7.276 ( -18.162 0.000 -6.141) 19.172 8.990 ( 7.741 0.000 4.627) 9.018 9.079 ( 12.536 0.000 -0.611) 12.550 13.068 ( -2.488 0.000 0.202) 2.496 13.110 ( -3.756 0.000 -0.193) 3.761 13.415 ( -3.994 0.000 1.624) 4.312 13.452 ( -1.568 0.000 -2.283) 2.770 13.555 ( 1.362 0.000 -0.254) 1.386 13.592 ( -1.120 0.000 0.046) 1.121 13.834 ( -1.277 0.000 -1.396) 1.892 13.848 ( -5.121 0.000 3.101) 5.986 13.996 ( -1.261 0.000 -2.847) 3.114 14.065 ( -8.752 0.000 -4.678) 9.924 ======================= Grid point 144 (79/96) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 1.122 3.031 7.617) 8.274 0.667 ( 4.552 3.197 -2.463) 6.083 0.790 ( -4.406 -4.554 3.332) 7.159 0.836 ( -1.240 -6.651 0.176) 6.768 0.899 ( 0.277 -0.234 5.073) 5.086 0.980 ( -3.299 -3.085 -1.876) 4.891 1.145 ( 1.290 7.330 7.142) 10.315 1.269 ( -1.875 2.183 -5.734) 6.416 1.448 ( 4.734 1.158 1.365) 5.061 1.491 ( -1.647 0.053 -2.422) 2.930 1.597 ( -0.733 -0.613 2.758) 2.918 1.656 ( -0.799 -2.026 -2.870) 3.602 1.834 ( -1.604 -1.460 2.551) 3.348 1.871 ( 3.098 -3.383 -1.005) 4.696 1.951 ( -3.094 2.179 3.598) 5.222 2.011 ( 1.820 0.949 -2.300) 3.083 2.243 ( -2.964 2.032 1.499) 3.894 2.263 ( 2.483 1.674 -0.625) 3.059 2.438 ( 2.332 -4.368 2.067) 5.366 2.461 ( -2.107 -4.461 -0.025) 4.934 2.561 ( 2.112 0.560 0.777) 2.319 2.595 ( 0.348 -0.139 -2.798) 2.823 2.727 ( -0.056 2.188 0.406) 2.226 2.751 ( -0.284 1.392 -1.877) 2.354 2.869 ( 1.671 0.292 0.958) 1.948 2.881 ( -1.316 -0.111 -0.102) 1.325 2.956 ( -2.443 -0.988 1.861) 3.226 3.000 ( 2.538 -2.850 -2.475) 4.549 3.126 ( -1.730 4.144 2.413) 5.099 3.186 ( 1.720 2.653 -3.434) 4.668 3.435 ( 2.485 -2.655 2.097) 4.198 3.478 ( -2.370 -2.955 -2.148) 4.354 3.724 ( 0.730 3.686 0.920) 3.868 3.742 ( -1.147 3.073 -0.974) 3.422 3.847 ( 0.403 -1.481 0.141) 1.541 3.851 ( -0.628 -1.283 -0.201) 1.442 4.115 ( -1.602 0.626 0.928) 1.954 4.137 ( 1.431 -0.441 -1.415) 2.060 4.315 ( -1.037 0.713 0.215) 1.277 4.320 ( -0.025 0.593 -0.175) 0.619 4.384 ( 0.098 -0.084 0.471) 0.488 4.384 ( 0.409 -0.072 0.390) 0.570 4.863 ( 0.810 0.741 1.206) 1.631 4.878 ( -1.356 0.061 -0.322) 1.395 4.949 ( 1.716 -0.029 0.863) 1.921 4.974 ( -0.753 -0.893 -1.511) 1.910 5.261 ( -0.878 0.334 0.794) 1.231 5.278 ( 0.979 -0.364 -0.931) 1.399 6.463 ( 0.708 0.119 0.207) 0.747 6.468 ( -0.334 -0.091 -0.369) 0.506 6.773 ( 0.113 -0.156 0.141) 0.239 6.775 ( 0.348 -0.295 -0.103) 0.468 7.046 ( -2.994 0.064 0.156) 2.998 7.050 ( 1.568 -0.077 -0.218) 1.585 9.109 ( -0.422 0.342 3.349) 3.393 9.162 ( 1.618 -1.979 -2.019) 3.258 13.060 ( 0.688 0.265 0.194) 0.762 13.067 ( -0.487 0.075 -0.526) 0.721 13.397 ( -0.948 0.843 1.040) 1.641 13.420 ( 0.385 -0.110 -1.276) 1.337 13.576 ( 0.562 0.091 0.127) 0.583 13.579 ( -0.621 0.062 -0.136) 0.638 13.813 ( -0.908 0.610 0.967) 1.460 13.833 ( 3.164 -0.084 -1.286) 3.416 13.941 ( -2.061 0.047 -0.327) 2.088 13.958 ( 0.344 -0.550 -1.733) 1.850 ======================= Grid point 145 (80/96) ======================= q-point: ( 0.11 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( -8.259 6.359 -2.585) 10.739 0.664 ( -1.100 -2.768 -4.598) 5.479 0.826 ( 3.152 -4.162 1.341) 5.390 0.889 ( 5.040 -2.442 0.810) 5.659 1.117 ( 11.222 0.327 -3.904) 11.886 1.130 ( 13.339 -0.966 7.309) 15.241 1.158 ( 3.733 2.238 0.749) 4.416 1.233 ( 2.822 0.967 1.997) 3.590 1.395 ( -3.298 3.274 -3.332) 5.718 1.522 ( 2.525 -0.940 -0.109) 2.696 1.637 ( 2.575 -0.859 0.148) 2.719 1.664 ( 2.307 -1.331 1.674) 3.146 1.811 ( -1.872 -1.777 0.870) 2.724 1.872 ( -1.332 -2.798 -2.383) 3.909 1.958 ( -0.616 3.831 3.284) 5.083 2.020 ( 1.798 0.386 -2.062) 2.763 2.202 ( -3.434 3.313 1.341) 4.956 2.289 ( 0.937 1.901 -0.822) 2.273 2.410 ( -2.005 -5.579 -1.594) 6.139 2.489 ( 1.098 -6.684 0.826) 6.823 2.586 ( 3.005 2.256 -3.972) 5.468 2.619 ( 3.793 0.846 -0.066) 3.887 2.734 ( 0.268 1.980 -0.281) 2.018 2.745 ( 0.466 1.594 1.012) 1.945 2.854 ( -0.700 0.525 -0.513) 1.014 2.911 ( -0.107 -0.683 -0.169) 0.712 2.935 ( -0.106 -0.159 2.188) 2.196 3.014 ( 2.259 -3.293 -1.753) 4.361 3.115 ( -3.050 4.070 2.580) 5.703 3.174 ( 0.918 1.677 -2.475) 3.127 3.418 ( -1.035 -0.975 -2.116) 2.550 3.504 ( 2.119 -4.470 1.858) 5.284 3.695 ( -3.476 2.962 -0.295) 4.576 3.737 ( -0.783 4.537 1.128) 4.740 3.811 ( -2.245 -2.172 0.084) 3.125 3.868 ( 0.641 -1.881 0.088) 1.989 4.081 ( -3.774 1.318 1.367) 4.225 4.129 ( -0.778 -0.721 -0.980) 1.444 4.289 ( -2.380 1.002 0.468) 2.624 4.302 ( -2.032 0.132 0.445) 2.085 4.403 ( 2.513 0.463 -0.204) 2.564 4.430 ( 3.544 -0.430 0.192) 3.575 4.842 ( -2.027 1.275 -0.465) 2.439 4.887 ( 0.469 -0.536 0.908) 1.154 4.941 ( -0.806 0.270 -1.931) 2.110 4.981 ( 0.900 -1.332 0.679) 1.745 5.263 ( 0.062 0.543 0.760) 0.936 5.290 ( 1.562 -0.561 -0.901) 1.889 6.448 ( -1.278 0.368 -0.449) 1.404 6.464 ( -0.659 -0.281 -0.049) 0.718 6.760 ( -1.483 -0.104 -0.318) 1.520 6.763 ( -1.446 -0.124 -0.316) 1.485 7.112 ( 8.914 1.173 0.307) 8.996 7.180 ( 11.897 -1.579 1.981) 12.164 9.048 ( -9.363 -0.079 1.244) 9.446 9.070 ( -8.058 -0.987 -3.400) 8.801 13.083 ( 2.960 0.587 -0.493) 3.058 13.103 ( 3.677 -0.199 0.307) 3.695 13.416 ( 1.411 0.751 1.617) 2.274 13.440 ( 3.369 -0.282 -0.793) 3.472 13.562 ( -1.013 0.660 -0.159) 1.220 13.587 ( 0.296 -0.174 0.379) 0.512 13.838 ( 3.937 0.809 -1.206) 4.196 13.898 ( 4.780 -1.606 -2.259) 5.525 13.956 ( 2.760 0.906 1.008) 3.075 13.996 ( 5.454 -0.750 1.542) 5.717 ======================= Grid point 146 (81/96) ======================= q-point: ( 0.22 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -3.805 6.368 -1.764) 7.625 0.613 ( 2.882 -6.182 -5.201) 8.577 0.822 ( 0.130 1.009 -4.522) 4.635 0.959 ( 0.875 -4.243 -1.855) 4.713 1.034 ( 0.848 6.386 -5.981) 8.791 1.250 ( 0.191 -1.805 4.343) 4.707 1.310 ( -1.405 7.066 -1.888) 7.448 1.438 ( 10.009 -3.120 1.330) 10.568 1.515 ( 8.755 -3.625 2.965) 9.929 1.573 ( 7.119 -2.789 -0.098) 7.646 1.710 ( 2.199 -0.979 0.078) 2.409 1.741 ( 7.731 0.466 2.679) 8.196 1.805 ( 0.427 -1.357 -2.490) 2.868 1.840 ( 5.012 -1.025 -0.244) 5.121 1.974 ( -0.746 3.382 1.886) 3.943 2.024 ( 2.108 0.348 -2.367) 3.189 2.153 ( -3.628 4.647 0.356) 5.906 2.264 ( -1.282 2.201 -2.274) 3.414 2.379 ( 1.886 -4.962 -2.628) 5.923 2.506 ( 0.838 -7.018 -0.227) 7.071 2.595 ( 3.751 4.265 -4.774) 7.420 2.670 ( 2.410 0.404 -1.363) 2.798 2.732 ( -0.679 2.515 0.048) 2.605 2.764 ( -0.834 1.401 2.391) 2.894 2.854 ( 0.261 -0.026 0.898) 0.935 2.899 ( 0.910 -1.114 0.219) 1.455 2.986 ( 3.394 -0.760 -0.293) 3.491 3.036 ( 1.612 -4.442 -2.248) 5.233 3.096 ( -1.721 4.944 3.963) 6.566 3.169 ( 0.940 1.134 -0.748) 1.651 3.400 ( 1.314 0.264 -1.583) 2.074 3.537 ( -0.465 -4.856 0.721) 4.931 3.619 ( -5.532 2.403 0.658) 6.067 3.700 ( -5.123 1.821 0.734) 5.486 3.792 ( 0.292 -1.227 -0.197) 1.276 3.871 ( -0.275 -2.395 -0.102) 2.413 4.024 ( -4.876 2.480 2.010) 5.828 4.090 ( -2.358 -0.256 -1.067) 2.601 4.244 ( -3.394 1.385 0.491) 3.698 4.267 ( -2.619 0.138 0.530) 2.675 4.456 ( 3.032 0.675 0.756) 3.197 4.509 ( 5.045 -1.070 0.578) 5.189 4.804 ( -1.811 2.342 -0.563) 3.013 4.894 ( 0.207 -0.752 -1.158) 1.396 4.919 ( 0.839 0.173 -0.607) 1.050 4.993 ( -0.047 -2.095 0.288) 2.115 5.276 ( 0.357 0.603 0.688) 0.982 5.306 ( 1.376 -0.611 -0.897) 1.753 6.421 ( -1.491 0.529 0.042) 1.583 6.442 ( -1.769 -0.278 -0.002) 1.791 6.714 ( -2.980 0.109 -0.907) 3.117 6.724 ( -2.471 -0.267 -0.383) 2.515 7.316 ( 12.692 2.315 1.580) 12.998 7.457 ( 13.527 -3.436 5.797) 15.112 8.848 ( -12.747 -0.188 -1.289) 12.813 8.849 ( -11.992 -0.217 -3.378) 12.461 13.147 ( 4.580 0.940 -0.330) 4.688 13.178 ( 4.263 -0.343 0.467) 4.302 13.476 ( 3.100 0.858 1.887) 3.729 13.507 ( 5.039 -0.426 -1.025) 5.160 13.544 ( -0.943 1.153 0.183) 1.501 13.600 ( 0.665 -0.892 0.614) 1.271 13.903 ( 5.187 0.318 -1.805) 5.502 13.947 ( 3.979 -1.488 -1.329) 4.451 14.034 ( 4.538 2.434 1.329) 5.318 14.151 ( 8.431 -2.636 1.980) 9.053 ======================= Grid point 147 (82/96) ======================= q-point: ( 0.33 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 1.951 6.579 5.530) 8.814 0.664 ( 8.580 -5.797 -3.480) 10.924 0.798 ( 4.899 1.417 -4.511) 6.808 0.914 ( 0.250 -6.469 -3.716) 7.465 1.041 ( 5.075 6.312 -3.495) 8.821 1.264 ( -0.914 8.309 -1.995) 8.594 1.310 ( 0.834 -3.953 2.511) 4.756 1.511 ( -2.395 -2.783 3.100) 4.805 1.540 ( -0.206 -2.092 -0.833) 2.261 1.599 ( -3.846 -0.943 -3.339) 5.180 1.727 ( -3.034 -0.957 1.036) 3.346 1.791 ( 4.225 -5.655 -0.114) 7.060 1.866 ( -0.268 3.113 -3.210) 4.479 1.966 ( 1.997 -0.553 -0.414) 2.114 2.023 ( 0.969 1.730 2.369) 3.090 2.068 ( 2.426 0.267 2.631) 3.588 2.122 ( 5.713 3.673 -2.438) 7.216 2.278 ( 9.077 -2.610 -4.820) 10.604 2.432 ( 7.909 0.227 -1.128) 7.992 2.524 ( 2.687 -2.625 -1.336) 3.987 2.608 ( 3.496 2.586 -3.920) 5.855 2.664 ( -0.810 -0.790 -2.219) 2.491 2.715 ( -1.124 3.759 0.640) 3.975 2.766 ( -1.436 1.632 1.772) 2.805 2.869 ( -0.394 -0.589 1.837) 1.969 2.949 ( 3.173 -0.620 0.826) 3.337 2.993 ( -0.749 -1.187 -2.381) 2.764 3.044 ( 2.005 -0.163 -0.604) 2.100 3.159 ( 3.813 1.171 2.321) 4.615 3.200 ( 2.554 1.110 0.851) 2.912 3.424 ( 2.406 -0.415 -0.646) 2.526 3.480 ( -5.910 0.043 -0.586) 5.939 3.537 ( -4.853 -0.752 -0.420) 4.929 3.598 ( -6.972 -3.140 1.614) 7.815 3.807 ( 1.307 -0.520 0.030) 1.407 3.859 ( -0.898 -2.431 -0.070) 2.593 3.965 ( -4.714 3.443 2.498) 6.350 4.031 ( -2.820 0.742 -1.184) 3.147 4.194 ( -2.686 1.223 0.356) 2.973 4.225 ( -2.688 -0.049 0.140) 2.692 4.510 ( 1.669 1.430 1.474) 2.646 4.600 ( 4.113 -1.835 0.571) 4.540 4.759 ( -2.380 3.033 -0.663) 3.911 4.897 ( 0.260 -2.180 -0.834) 2.348 4.935 ( 2.524 0.878 -0.800) 2.790 5.006 ( 2.173 -1.657 -0.341) 2.754 5.286 ( -0.113 0.592 0.584) 0.840 5.314 ( 0.659 -0.543 -0.920) 1.256 6.398 ( -1.651 0.279 0.569) 1.768 6.408 ( -2.237 -0.021 0.296) 2.257 6.650 ( -2.762 0.443 -0.888) 2.934 6.675 ( -2.497 -0.545 -0.424) 2.590 7.551 ( 11.027 2.651 3.158) 11.773 7.710 ( 6.745 -3.779 6.490) 10.094 8.622 ( -9.286 0.095 -2.988) 9.755 8.629 ( -9.922 -0.158 -1.794) 10.084 13.219 ( 3.921 0.915 -0.086) 4.027 13.247 ( 2.775 -0.199 0.567) 2.839 13.535 ( -0.306 1.151 0.420) 1.263 13.551 ( 2.424 0.300 1.076) 2.669 13.564 ( 2.109 0.379 0.464) 2.193 13.632 ( 3.343 -1.676 -0.837) 3.832 13.969 ( 4.091 0.456 -0.832) 4.200 14.002 ( 3.361 -0.595 -0.604) 3.466 14.128 ( 4.425 2.442 1.349) 5.231 14.284 ( 5.026 -3.782 0.100) 6.291 ======================= Grid point 148 (83/96) ======================= q-point: ( 0.44 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 1.730 3.971 7.009) 8.240 0.724 ( 1.452 -6.268 -7.100) 9.582 0.891 ( 8.335 1.233 2.021) 8.665 0.998 ( 10.456 -3.110 1.633) 11.030 1.081 ( 2.951 3.264 -4.024) 5.963 1.259 ( 1.369 5.975 1.642) 6.346 1.286 ( -5.179 -2.938 -2.658) 6.521 1.437 ( -8.256 0.959 -2.194) 8.596 1.486 ( -4.186 -3.821 1.546) 5.875 1.515 ( 0.583 -3.498 -2.913) 4.589 1.713 ( -0.465 2.316 1.791) 2.965 1.793 ( -1.073 -1.358 -2.364) 2.930 1.850 ( 2.379 1.711 -1.049) 3.112 1.935 ( -4.822 2.114 -0.382) 5.278 2.010 ( -0.233 -1.774 2.078) 2.742 2.077 ( -0.109 -2.486 -0.952) 2.664 2.257 ( 3.180 -1.066 2.343) 4.091 2.348 ( 4.597 -4.790 -4.523) 8.033 2.548 ( 2.679 4.034 -1.154) 4.978 2.581 ( 0.743 3.350 -1.568) 3.773 2.618 ( 1.429 0.841 0.284) 1.682 2.631 ( 2.949 -0.925 -1.557) 3.461 2.720 ( 0.744 2.025 0.759) 2.287 2.767 ( 1.692 2.159 -1.774) 3.266 2.880 ( -0.694 -1.666 2.072) 2.748 2.953 ( -1.000 -0.789 -1.962) 2.339 3.003 ( 1.293 0.717 1.651) 2.216 3.060 ( 1.305 0.715 -1.637) 2.212 3.260 ( 5.468 0.292 1.193) 5.604 3.266 ( 3.857 0.437 0.768) 3.957 3.349 ( -7.519 0.865 1.074) 7.644 3.395 ( -6.835 1.239 -1.107) 7.034 3.498 ( 3.820 -3.369 -1.264) 5.248 3.528 ( -3.630 -4.589 1.174) 5.968 3.829 ( 0.066 -0.749 1.171) 1.392 3.843 ( -1.526 -1.396 0.789) 2.214 3.931 ( -1.439 3.171 1.608) 3.835 3.979 ( -0.873 0.993 -1.656) 2.119 4.168 ( -0.488 0.776 0.084) 0.921 4.184 ( -1.638 0.165 -0.361) 1.686 4.550 ( 1.040 2.451 1.828) 3.230 4.626 ( -0.996 1.104 -1.325) 1.992 4.753 ( 2.022 -0.455 1.430) 2.518 4.854 ( -2.721 -2.994 -1.518) 4.321 4.996 ( 3.625 1.080 -0.155) 3.785 5.035 ( 0.727 -0.540 -0.709) 1.150 5.288 ( -0.229 0.479 0.569) 0.778 5.309 ( 0.111 -0.395 -0.928) 1.015 6.378 ( -1.066 0.058 0.451) 1.159 6.381 ( -1.128 0.053 0.372) 1.189 6.616 ( -0.267 0.377 -0.272) 0.536 6.636 ( -1.447 -0.384 -0.497) 1.577 7.744 ( 7.154 1.200 2.906) 7.814 7.817 ( -0.649 -1.714 3.448) 3.905 8.488 ( -3.306 -0.119 -1.561) 3.658 8.491 ( -3.435 -0.128 -1.570) 3.779 13.270 ( 1.756 0.549 0.240) 1.856 13.280 ( 0.282 0.178 0.548) 0.642 13.540 ( 0.334 0.559 0.478) 0.808 13.559 ( -0.510 -0.225 -0.102) 0.566 13.618 ( 1.106 0.881 1.855) 2.333 13.671 ( 2.481 -1.278 -2.100) 3.493 14.014 ( 1.290 0.773 0.323) 1.538 14.037 ( 1.205 0.888 -0.627) 1.623 14.214 ( 3.605 0.248 1.739) 4.011 14.320 ( 0.975 -3.345 -2.514) 4.297 ======================= Grid point 149 (84/96) ======================= q-point: (-0.44 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.971 -0.629 7.145) 7.238 0.628 ( -0.795 -3.163 -8.659) 9.252 0.976 ( -7.659 1.800 -5.400) 9.542 1.007 ( -0.686 4.293 1.673) 4.659 1.074 ( -10.954 -3.435 -4.387) 12.289 1.224 ( 6.636 -2.190 2.376) 7.381 1.296 ( -1.556 3.905 -0.987) 4.318 1.367 ( 6.910 2.471 3.618) 8.181 1.459 ( -0.880 -4.424 2.131) 4.989 1.542 ( 5.467 -5.527 -2.897) 8.296 1.744 ( 0.562 0.699 1.506) 1.753 1.746 ( -0.479 0.541 -0.723) 1.022 1.834 ( -5.567 2.801 0.534) 6.255 1.916 ( 2.990 1.589 1.406) 3.667 2.019 ( -1.755 -1.552 2.319) 3.297 2.073 ( 1.017 -3.326 -1.314) 3.718 2.260 ( -5.489 -1.944 3.176) 6.633 2.325 ( -3.210 -4.252 -3.420) 6.331 2.500 ( -7.018 6.515 2.642) 9.933 2.573 ( -1.094 3.125 -0.615) 3.368 2.597 ( -4.376 0.606 0.775) 4.485 2.646 ( -0.613 -0.533 -0.738) 1.098 2.737 ( 0.408 4.388 -0.896) 4.497 2.777 ( 3.039 -1.890 -2.689) 4.477 2.901 ( -0.228 -3.232 2.575) 4.138 2.921 ( -0.128 -1.427 -1.784) 2.288 3.025 ( -0.932 1.070 1.719) 2.229 3.051 ( 0.373 2.320 -2.473) 3.411 3.257 ( -5.220 1.447 1.701) 5.678 3.269 ( -4.443 0.392 0.406) 4.479 3.369 ( 6.786 0.270 -0.687) 6.826 3.390 ( 8.216 1.194 -0.861) 8.347 3.466 ( -4.117 -3.485 1.289) 5.546 3.571 ( 5.906 -4.582 -2.591) 7.911 3.818 ( -3.029 -0.438 1.818) 3.560 3.834 ( -1.176 -1.583 2.018) 2.821 3.956 ( 2.477 2.752 0.415) 3.726 3.976 ( 3.145 1.253 -2.532) 4.228 4.171 ( 0.627 0.815 -0.216) 1.051 4.182 ( 2.033 0.416 -0.006) 2.075 4.579 ( -2.175 2.263 -1.073) 3.317 4.590 ( 0.598 2.442 2.248) 3.373 4.790 ( -1.780 -1.826 -2.179) 3.355 4.825 ( 3.527 -2.719 1.407) 4.671 4.997 ( -4.240 0.853 -0.289) 4.335 5.023 ( -0.936 -0.202 0.515) 1.087 5.294 ( 0.037 0.234 0.619) 0.663 5.302 ( 0.434 -0.131 -0.926) 1.031 6.383 ( 1.178 0.046 0.100) 1.183 6.383 ( 1.226 0.029 0.019) 1.226 6.618 ( 0.144 0.256 -0.436) 0.526 6.630 ( 1.760 -0.234 0.033) 1.776 7.775 ( -6.211 1.228 -0.056) 6.332 7.851 ( 3.000 -1.834 0.241) 3.525 8.469 ( 2.604 0.193 -0.058) 2.611 8.488 ( 4.248 -0.587 -1.048) 4.415 13.266 ( -2.460 0.671 0.604) 2.620 13.282 ( -0.880 0.089 0.335) 0.946 13.548 ( -0.286 0.244 -0.270) 0.462 13.554 ( 0.400 0.147 0.382) 0.572 13.632 ( -1.576 0.301 1.635) 2.291 13.660 ( -0.714 -0.750 -2.386) 2.601 14.013 ( -2.236 1.337 0.773) 2.718 14.027 ( -1.530 1.159 -0.297) 1.942 14.272 ( -1.744 -1.731 -3.708) 4.448 14.285 ( 2.359 -2.470 0.932) 3.541 ======================= Grid point 150 (85/96) ======================= q-point: (-0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -1.828 -1.400 -8.429) 8.737 0.613 ( -6.768 -4.768 2.452) 8.634 0.749 ( -8.489 2.129 -0.656) 8.776 0.870 ( -5.339 -2.946 -0.072) 6.098 0.989 ( -4.475 6.878 1.652) 8.370 1.212 ( -2.005 7.711 1.908) 8.192 1.372 ( 3.530 -6.383 -2.707) 7.780 1.510 ( 2.575 -2.090 2.172) 3.964 1.519 ( 4.157 -0.694 4.280) 6.007 1.580 ( 1.638 -4.920 -3.452) 6.230 1.735 ( 0.873 -0.895 0.153) 1.260 1.777 ( -1.189 -1.741 0.924) 2.301 1.795 ( -1.676 1.934 3.560) 4.385 1.934 ( -2.246 -2.263 3.358) 4.630 2.033 ( -3.990 2.485 2.196) 5.188 2.083 ( 2.852 2.150 -0.001) 3.572 2.136 ( -13.787 -0.690 -2.152) 13.971 2.176 ( -6.956 -0.469 3.471) 7.788 2.387 ( -9.132 4.193 3.712) 10.713 2.485 ( -4.393 0.520 1.291) 4.608 2.569 ( -1.624 0.889 0.193) 1.862 2.646 ( 0.913 -0.984 0.222) 1.361 2.736 ( 1.421 3.951 -1.567) 4.481 2.810 ( 3.542 -2.677 -2.610) 5.150 2.900 ( -0.793 -2.352 -0.766) 2.598 2.917 ( -0.946 -4.153 1.783) 4.618 3.000 ( -2.658 0.931 -0.574) 2.874 3.036 ( 0.226 2.072 -0.786) 2.228 3.189 ( -3.565 1.805 0.079) 3.997 3.212 ( -2.227 2.431 -0.834) 3.401 3.412 ( -2.941 -0.939 0.429) 3.117 3.477 ( 5.822 -1.029 -0.264) 5.918 3.531 ( 7.705 0.718 0.009) 7.738 3.642 ( 5.830 -3.533 -2.639) 7.310 3.788 ( -2.559 -0.279 1.839) 3.164 3.844 ( -0.016 -3.193 1.557) 3.553 4.007 ( 2.732 2.596 0.398) 3.789 4.017 ( 4.395 1.535 -2.015) 5.073 4.201 ( 3.109 1.677 -0.332) 3.548 4.232 ( 3.782 0.520 -0.481) 3.848 4.531 ( -2.663 1.284 -0.485) 2.996 4.592 ( -3.648 -0.274 1.438) 3.931 4.767 ( 2.049 1.476 -1.555) 2.966 4.881 ( 0.215 -2.238 0.717) 2.360 4.918 ( -3.271 1.129 0.809) 3.554 4.996 ( -1.822 -1.661 0.616) 2.541 5.297 ( -0.579 0.118 0.712) 0.926 5.300 ( 0.328 -0.015 -0.865) 0.925 6.409 ( 1.679 0.149 -0.426) 1.738 6.414 ( 2.177 0.020 -0.268) 2.193 6.638 ( 2.315 0.634 0.319) 2.421 6.670 ( 2.655 -0.653 0.088) 2.736 7.611 ( -11.076 3.418 -2.452) 11.848 7.831 ( -3.143 -5.670 -5.051) 8.218 8.576 ( 8.685 0.515 1.486) 8.826 8.603 ( 9.450 -0.592 0.496) 9.481 13.213 ( -4.268 1.111 0.503) 4.439 13.250 ( -3.292 -0.260 0.312) 3.316 13.540 ( -1.545 0.491 0.341) 1.657 13.550 ( -0.888 0.686 0.082) 1.125 13.597 ( -3.004 -0.332 -2.008) 3.629 13.619 ( -1.135 -0.688 0.361) 1.376 13.960 ( -4.066 1.120 -0.035) 4.217 13.980 ( -4.524 0.492 1.171) 4.699 14.183 ( -3.206 0.442 -3.851) 5.030 14.306 ( -0.245 -4.509 -1.656) 4.810 ======================= Grid point 151 (86/96) ======================= q-point: (-0.22 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -6.228 -3.030 -2.141) 7.249 0.531 ( -1.914 -5.990 1.906) 6.570 0.711 ( -0.750 3.782 6.030) 7.158 0.888 ( 0.507 -2.867 5.468) 6.195 0.939 ( -3.463 8.490 2.943) 9.630 1.223 ( -0.663 3.917 2.667) 4.785 1.366 ( 0.669 -3.037 -3.445) 4.641 1.477 ( -8.355 -1.203 -2.110) 8.701 1.549 ( -8.629 -2.466 1.131) 9.045 1.569 ( -1.089 -3.369 -0.852) 3.641 1.671 ( -9.195 -0.422 3.101) 9.713 1.750 ( -1.691 -2.221 2.219) 3.566 1.787 ( -5.286 -0.092 0.824) 5.351 1.848 ( -5.380 0.255 -2.482) 5.930 1.941 ( -3.196 1.365 4.630) 5.789 1.997 ( -0.697 0.861 0.983) 1.481 2.153 ( 4.595 4.091 0.029) 6.153 2.199 ( 2.352 3.061 4.227) 5.725 2.333 ( -1.625 -1.981 1.999) 3.250 2.466 ( -1.498 -1.847 3.480) 4.215 2.541 ( -1.807 0.789 0.414) 2.015 2.663 ( 0.681 0.120 -0.521) 0.866 2.740 ( 0.232 2.723 -0.606) 2.799 2.815 ( 0.368 -0.322 -2.793) 2.835 2.869 ( -2.098 -2.321 -0.836) 3.238 2.914 ( 0.648 -3.132 -0.820) 3.302 2.954 ( -2.779 -0.695 1.774) 3.369 3.021 ( -1.448 -2.230 -0.244) 2.670 3.151 ( -1.594 2.667 0.672) 3.179 3.176 ( 1.306 4.174 -3.270) 5.461 3.379 ( -1.304 0.601 0.471) 1.511 3.547 ( 2.194 -3.733 -0.359) 4.345 3.633 ( 4.569 1.515 -0.569) 4.847 3.714 ( 4.575 1.664 -0.827) 4.938 3.779 ( -0.260 -1.571 1.229) 2.012 3.863 ( 0.458 -3.233 0.724) 3.344 4.061 ( 3.411 1.242 -0.266) 3.640 4.070 ( 3.313 1.115 -0.567) 3.541 4.257 ( 3.662 2.197 -0.692) 4.326 4.285 ( 3.189 0.841 -1.154) 3.495 4.469 ( -4.068 0.143 -0.369) 4.087 4.510 ( -6.080 -0.990 0.512) 6.181 4.803 ( 2.532 2.114 -0.564) 3.347 4.865 ( -0.483 1.119 1.435) 1.883 4.909 ( -0.850 -1.035 0.661) 1.494 4.995 ( 0.698 -2.628 0.016) 2.720 5.289 ( -1.338 0.076 0.823) 1.573 5.292 ( -0.116 -0.067 -0.923) 0.933 6.426 ( 1.102 0.478 -0.434) 1.277 6.445 ( 1.757 -0.241 -0.319) 1.801 6.695 ( 3.066 0.356 0.977) 3.237 6.717 ( 2.498 -0.510 0.254) 2.562 7.362 ( -13.551 3.433 -2.776) 14.252 7.605 ( -13.683 -6.909 -9.114) 17.833 8.780 ( 11.252 0.597 3.168) 11.705 8.816 ( 13.179 -0.921 2.081) 13.374 13.140 ( -4.547 1.190 0.313) 4.710 13.183 ( -4.462 -0.354 0.035) 4.476 13.485 ( -4.716 0.667 1.089) 4.886 13.515 ( -3.160 -0.458 -1.793) 3.661 13.554 ( 0.840 1.308 -0.835) 1.765 13.608 ( -0.707 -0.717 -0.135) 1.016 13.887 ( -3.918 0.320 -0.289) 3.941 13.909 ( -5.488 -0.193 1.951) 5.828 14.084 ( -3.489 1.450 -3.304) 5.019 14.222 ( -5.344 -4.369 -4.851) 8.437 ======================= Grid point 152 (87/96) ======================= q-point: (-0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 4.677 -3.501 8.403) 10.234 0.585 ( 3.922 -3.820 2.854) 6.175 0.782 ( -0.622 1.565 4.904) 5.185 0.909 ( -3.861 -0.831 0.335) 3.964 0.967 ( -1.984 4.740 8.614) 10.030 1.142 ( -16.832 -0.096 2.144) 16.968 1.192 ( -16.434 0.124 1.663) 16.518 1.350 ( -0.047 0.869 -5.784) 5.849 1.360 ( 1.015 3.388 -1.509) 3.845 1.517 ( -1.729 -2.897 0.109) 3.375 1.622 ( -2.453 0.967 0.470) 2.678 1.710 ( -2.047 -1.725 -1.240) 2.951 1.808 ( 0.996 -2.962 0.774) 3.219 1.815 ( 1.866 -3.801 2.758) 5.053 1.962 ( -2.168 2.076 3.656) 4.731 2.005 ( 1.396 2.335 -1.228) 2.985 2.218 ( 3.055 2.510 -0.198) 3.959 2.263 ( -0.261 2.126 1.708) 2.739 2.366 ( 2.309 -3.758 2.695) 5.169 2.482 ( -1.305 -3.115 2.139) 3.997 2.531 ( -0.067 0.202 1.081) 1.102 2.637 ( -1.550 -0.366 -2.130) 2.660 2.733 ( -0.371 2.892 -0.332) 2.935 2.781 ( -0.493 1.216 -2.179) 2.544 2.841 ( 0.057 -0.175 0.229) 0.294 2.907 ( -1.447 -1.833 0.329) 2.359 2.954 ( 0.500 -2.358 0.972) 2.599 2.995 ( -0.392 -2.554 -0.826) 2.713 3.133 ( -1.823 3.513 1.493) 4.230 3.184 ( 3.309 3.345 -3.775) 6.033 3.384 ( 0.856 -0.146 1.259) 1.529 3.538 ( -1.637 -4.373 -1.450) 4.890 3.691 ( 2.491 2.970 0.263) 3.885 3.754 ( 0.904 3.521 -0.530) 3.674 3.811 ( 2.417 -1.994 0.237) 3.143 3.869 ( -0.277 -1.881 -0.077) 1.903 4.110 ( 1.688 0.435 0.368) 1.781 4.112 ( 2.832 0.141 -1.260) 3.103 4.301 ( 2.277 1.508 -0.648) 2.807 4.315 ( 1.790 0.612 -0.920) 2.103 4.397 ( -3.454 0.109 0.324) 3.471 4.424 ( -4.494 -0.519 0.809) 4.596 4.833 ( 1.433 1.526 0.459) 2.143 4.891 ( 0.301 -0.843 0.515) 1.033 4.910 ( 0.917 1.133 0.930) 1.729 4.997 ( -0.168 -2.049 -0.836) 2.220 5.273 ( -1.509 0.126 0.822) 1.723 5.280 ( 0.083 -0.164 -0.942) 0.960 6.443 ( 1.141 0.500 0.076) 1.248 6.466 ( 0.918 -0.402 -0.228) 1.028 6.750 ( 2.053 -0.065 0.688) 2.166 6.756 ( 1.510 -0.236 0.350) 1.568 7.131 ( -9.350 1.594 -1.405) 9.588 7.240 ( -16.226 -3.110 -4.440) 17.108 8.995 ( 8.048 0.602 4.022) 9.017 9.055 ( 11.178 -2.034 0.631) 11.380 13.077 ( -2.777 0.832 0.158) 2.903 13.109 ( -3.581 -0.258 -0.337) 3.606 13.424 ( -3.357 0.822 0.834) 3.556 13.451 ( -1.715 -0.218 -1.867) 2.545 13.563 ( 0.887 0.796 -0.313) 1.232 13.592 ( -0.801 -0.133 -0.062) 0.815 13.830 ( -2.115 -0.055 -0.239) 2.129 13.848 ( -3.924 -0.226 1.848) 4.343 13.999 ( -2.191 0.474 -2.735) 3.536 14.049 ( -7.242 -1.454 -3.852) 8.331 ======================= Grid point 153 (88/96) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 7.281 -5.153 7.000) 11.338 0.643 ( 7.281 5.153 7.000) 11.338 0.759 ( -5.570 -1.803 -3.839) 7.001 0.759 ( -5.570 1.803 -3.839) 7.001 0.922 ( -1.891 -2.280 2.126) 3.647 0.922 ( -1.891 2.280 2.126) 3.647 1.256 ( -1.481 -3.510 0.767) 3.887 1.256 ( -1.482 3.510 0.767) 3.887 1.480 ( 2.114 -1.519 0.435) 2.639 1.480 ( 2.114 1.519 0.435) 2.639 1.607 ( -1.415 -2.098 -0.869) 2.676 1.607 ( -1.415 2.098 -0.869) 2.676 1.823 ( 0.857 -0.986 1.263) 1.817 1.823 ( 0.857 0.986 1.263) 1.817 1.999 ( -0.544 -2.008 0.514) 2.143 1.999 ( -0.544 2.008 0.514) 2.143 2.290 ( -0.016 -1.080 0.595) 1.233 2.290 ( -0.016 1.080 0.595) 1.233 2.384 ( -0.243 -1.228 0.466) 1.336 2.384 ( -0.243 1.228 0.466) 1.336 2.586 ( 1.217 -1.186 -0.601) 1.802 2.586 ( 1.217 1.186 -0.601) 1.802 2.751 ( -0.227 -0.607 -0.991) 1.184 2.751 ( -0.227 0.607 -0.991) 1.184 2.881 ( 0.730 -0.556 0.404) 1.003 2.881 ( 0.730 0.556 0.404) 1.003 2.955 ( 0.184 -1.289 -0.470) 1.384 2.955 ( 0.184 1.289 -0.470) 1.384 3.194 ( -0.547 -2.106 0.644) 2.269 3.194 ( -0.547 2.106 0.644) 2.269 3.425 ( 0.136 -1.754 -0.909) 1.981 3.425 ( 0.136 1.754 -0.909) 1.981 3.783 ( 0.442 -0.987 0.220) 1.103 3.783 ( 0.442 0.987 0.220) 1.103 3.821 ( -0.562 -0.628 -0.428) 0.945 3.821 ( -0.562 0.628 -0.428) 0.945 4.127 ( 0.054 -0.585 -0.364) 0.691 4.127 ( 0.054 0.585 -0.364) 0.691 4.326 ( -0.869 -0.148 0.121) 0.890 4.326 ( -0.869 0.148 0.121) 0.890 4.383 ( 0.435 -0.035 0.366) 0.570 4.383 ( 0.435 0.035 0.366) 0.570 4.876 ( -0.266 -0.406 0.603) 0.774 4.876 ( -0.266 0.406 0.603) 0.774 4.956 ( 0.474 -0.770 -0.540) 1.053 4.956 ( 0.474 0.770 -0.540) 1.053 5.269 ( 0.100 -0.484 -0.134) 0.512 5.269 ( 0.100 0.484 -0.134) 0.512 6.465 ( 0.183 -0.155 -0.075) 0.251 6.465 ( 0.183 0.155 -0.075) 0.251 6.771 ( 0.221 -0.056 0.069) 0.238 6.771 ( 0.221 0.056 0.069) 0.238 7.048 ( -0.623 -0.107 -0.015) 0.632 7.048 ( -0.623 0.107 -0.015) 0.632 9.125 ( 0.529 -1.469 0.944) 1.825 9.125 ( 0.529 1.469 0.944) 1.825 13.065 ( 0.078 -0.239 -0.178) 0.308 13.065 ( 0.078 0.239 -0.178) 0.308 13.413 ( -0.211 -0.654 -0.286) 0.744 13.413 ( -0.211 0.654 -0.286) 0.744 13.579 ( -0.023 -0.126 -0.085) 0.154 13.579 ( -0.023 0.126 -0.085) 0.154 13.827 ( 1.036 -0.630 0.059) 1.214 13.827 ( 1.036 0.630 0.059) 1.214 13.946 ( -0.737 -0.486 -1.204) 1.493 13.946 ( -0.737 0.486 -1.204) 1.493 ======================= Grid point 155 (89/96) ======================= q-point: ( 0.11 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( -4.724 -4.116 -7.255) 9.586 0.597 ( -4.724 4.116 -7.255) 9.586 0.823 ( 5.194 -3.579 3.424) 7.178 0.823 ( 5.194 3.579 3.424) 7.178 1.109 ( 17.671 -0.751 2.352) 17.842 1.109 ( 17.671 0.751 2.352) 17.842 1.220 ( -4.077 -2.378 1.632) 4.994 1.220 ( -4.077 2.378 1.632) 4.994 1.478 ( 0.117 -4.088 -2.096) 4.596 1.478 ( 0.117 4.088 -2.096) 4.596 1.629 ( 2.826 -0.802 1.668) 3.379 1.629 ( 2.826 0.802 1.668) 3.379 1.819 ( -1.018 -2.063 -1.151) 2.572 1.819 ( -1.018 2.063 -1.151) 2.572 2.014 ( 0.976 -1.535 0.670) 1.938 2.014 ( 0.976 1.535 0.670) 1.938 2.286 ( -0.890 -4.680 0.060) 4.764 2.286 ( -0.890 4.680 0.060) 4.764 2.371 ( -1.185 -4.389 -0.020) 4.547 2.371 ( -1.185 4.389 -0.020) 4.547 2.623 ( 4.154 -0.993 -1.984) 4.709 2.623 ( 4.154 0.993 -1.984) 4.709 2.752 ( 0.537 -0.581 0.561) 0.970 2.752 ( 0.537 0.581 0.561) 0.970 2.885 ( 0.008 -1.907 -1.270) 2.291 2.885 ( 0.008 1.907 -1.270) 2.291 2.952 ( 0.524 -2.147 -0.003) 2.210 2.952 ( 0.524 2.147 -0.003) 2.210 3.180 ( -1.847 -1.475 0.878) 2.522 3.180 ( -1.847 1.475 0.878) 2.522 3.430 ( 0.958 -2.535 -0.256) 2.722 3.430 ( 0.958 2.535 -0.256) 2.722 3.758 ( -3.373 -3.168 -0.058) 4.628 3.758 ( -3.373 3.168 -0.058) 4.628 3.817 ( 0.027 -3.397 0.339) 3.414 3.817 ( 0.027 3.397 0.339) 3.414 4.108 ( -1.882 -1.344 0.040) 2.313 4.108 ( -1.882 1.344 0.040) 2.313 4.302 ( -2.294 -0.247 0.779) 2.435 4.302 ( -2.294 0.247 0.779) 2.435 4.417 ( 3.083 -0.862 -0.157) 3.205 4.417 ( 3.083 0.862 -0.157) 3.205 4.869 ( -0.865 -1.305 0.176) 1.575 4.869 ( -0.865 1.305 0.176) 1.575 4.954 ( 0.055 -1.182 -0.580) 1.318 4.954 ( 0.055 1.182 -0.580) 1.318 5.276 ( 0.848 -0.783 -0.123) 1.160 5.276 ( 0.848 0.783 -0.123) 1.160 6.457 ( -0.926 -0.466 -0.242) 1.065 6.457 ( -0.926 0.466 -0.242) 1.065 6.760 ( -1.386 -0.109 -0.333) 1.430 6.760 ( -1.386 0.109 -0.333) 1.430 7.143 ( 10.208 -1.925 1.040) 10.440 7.143 ( 10.208 1.925 1.040) 10.440 9.052 ( -8.507 -0.625 -1.019) 8.591 9.052 ( -8.507 0.625 -1.019) 8.591 13.095 ( 3.356 -0.547 -0.050) 3.401 13.095 ( 3.356 0.547 -0.050) 3.401 13.431 ( 2.339 -0.685 0.331) 2.459 13.431 ( 2.339 0.685 0.331) 2.459 13.577 ( -0.206 -0.756 0.095) 0.790 13.577 ( -0.206 0.756 0.095) 0.790 13.863 ( 3.827 -1.703 -1.563) 4.471 13.863 ( 3.827 1.703 -1.563) 4.471 13.976 ( 4.289 -1.117 1.075) 4.560 13.976 ( 4.289 1.117 1.075) 4.560 ======================= Grid point 157 (90/96) ======================= q-point: ( 0.22 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 1.664 -7.284 -6.407) 9.843 0.480 ( 1.664 7.284 -6.407) 9.843 0.870 ( -0.485 -3.992 -2.210) 4.589 0.870 ( -0.485 3.992 -2.210) 4.589 1.169 ( -0.018 -6.292 -0.638) 6.325 1.169 ( -0.018 6.292 -0.638) 6.325 1.438 ( 9.970 -2.950 2.943) 10.806 1.438 ( 9.970 2.950 2.943) 10.806 1.461 ( 1.507 -7.607 -1.347) 7.871 1.461 ( 1.507 7.607 -1.347) 7.871 1.717 ( 1.866 -1.654 0.662) 2.579 1.717 ( 1.866 1.654 0.662) 2.579 1.819 ( 7.500 -1.577 -0.167) 7.666 1.819 ( 7.500 1.577 -0.167) 7.666 2.022 ( -0.331 -1.209 -0.646) 1.410 2.022 ( -0.331 1.209 -0.646) 1.410 2.249 ( -3.096 -4.663 -0.935) 5.675 2.249 ( -3.096 4.663 -0.935) 5.675 2.374 ( 2.849 -5.380 -0.429) 6.103 2.374 ( 2.849 5.380 -0.429) 6.104 2.658 ( 2.686 -1.843 -3.115) 4.507 2.658 ( 2.686 1.843 -3.115) 4.507 2.777 ( 0.899 -1.988 1.460) 2.626 2.777 ( 0.899 1.988 1.460) 2.626 2.862 ( -0.211 -1.647 -1.429) 2.191 2.862 ( -0.211 1.647 -1.429) 2.191 2.983 ( 2.979 -0.961 -0.500) 3.170 2.983 ( 2.979 0.961 -0.500) 3.170 3.167 ( -1.144 -1.708 2.075) 2.921 3.167 ( -1.144 1.708 2.075) 2.921 3.442 ( 0.628 -4.147 -0.348) 4.209 3.442 ( 0.628 4.147 -0.348) 4.209 3.676 ( -6.478 -3.011 0.406) 7.155 3.676 ( -6.478 3.011 0.406) 7.155 3.818 ( 0.119 -2.768 -0.260) 2.782 3.818 ( 0.119 2.768 -0.260) 2.782 4.069 ( -2.926 -1.857 0.403) 3.489 4.069 ( -2.926 1.857 0.403) 3.489 4.265 ( -3.253 -0.531 0.996) 3.443 4.265 ( -3.253 0.531 0.996) 3.443 4.480 ( 4.049 -1.650 0.368) 4.388 4.480 ( 4.049 1.650 0.368) 4.388 4.857 ( -0.493 -2.641 -0.384) 2.714 4.857 ( -0.493 2.641 -0.384) 2.714 4.946 ( 0.190 -2.255 -0.623) 2.348 4.946 ( 0.190 2.255 -0.623) 2.348 5.291 ( 0.887 -0.871 -0.120) 1.249 5.291 ( 0.887 0.871 -0.120) 1.249 6.433 ( -1.584 -0.617 0.026) 1.700 6.433 ( -1.584 0.617 0.026) 1.700 6.718 ( -2.713 -0.293 -0.656) 2.807 6.718 ( -2.713 0.293 -0.656) 2.807 7.379 ( 13.157 -3.988 3.338) 14.147 7.379 ( 13.157 3.988 3.338) 14.147 8.846 ( -12.171 -0.041 -2.317) 12.390 8.846 ( -12.171 0.041 -2.317) 12.390 13.166 ( 4.431 -0.909 0.162) 4.526 13.166 ( 4.431 0.909 0.162) 4.526 13.494 ( 4.270 -0.866 0.304) 4.368 13.494 ( 4.270 0.866 0.304) 4.368 13.573 ( -0.486 -1.635 0.433) 1.760 13.573 ( -0.486 1.635 0.433) 1.760 13.919 ( 4.478 -1.289 -1.205) 4.813 13.919 ( 4.478 1.289 -1.205) 4.813 14.091 ( 6.575 -3.231 1.120) 7.411 14.091 ( 6.575 3.231 1.120) 7.411 ======================= Grid point 159 (91/96) ======================= q-point: ( 0.33 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 6.310 -8.545 -1.355) 10.708 0.520 ( 6.310 8.545 -1.355) 10.708 0.828 ( 2.407 -2.365 -3.578) 4.918 0.828 ( 2.407 2.365 -3.578) 4.918 1.187 ( 1.771 -7.749 -0.600) 7.972 1.187 ( 1.771 7.749 -0.600) 7.972 1.418 ( -2.247 -6.697 -0.053) 7.064 1.418 ( -2.247 6.697 -0.053) 7.064 1.552 ( -0.264 -2.953 -1.797) 3.467 1.552 ( -0.264 2.953 -1.797) 3.467 1.721 ( 1.818 -1.111 0.694) 2.240 1.721 ( 1.818 1.111 0.694) 2.240 1.932 ( -0.640 -2.896 -1.846) 3.493 1.932 ( -0.640 2.896 -1.846) 3.493 2.055 ( 2.160 -1.439 2.444) 3.565 2.055 ( 2.160 1.439 2.444) 3.565 2.206 ( 3.959 -4.380 -3.341) 6.784 2.206 ( 3.959 4.380 -3.341) 6.784 2.466 ( 7.820 -2.708 0.378) 8.284 2.466 ( 7.820 2.708 0.378) 8.284 2.644 ( 0.328 -1.157 -3.213) 3.431 2.644 ( 0.328 1.157 -3.213) 3.431 2.802 ( 0.041 -3.119 0.986) 3.272 2.802 ( 0.041 3.119 0.986) 3.272 2.855 ( 1.341 -3.464 -1.787) 4.122 2.855 ( 1.341 3.464 -1.787) 4.122 3.029 ( 2.582 -1.656 -0.007) 3.068 3.029 ( 2.582 1.656 -0.007) 3.068 3.196 ( 1.347 -1.648 2.655) 3.403 3.196 ( 1.347 1.648 2.655) 3.403 3.443 ( 0.429 -2.628 -1.001) 2.845 3.443 ( 0.429 2.628 -1.001) 2.845 3.548 ( -8.734 -1.833 0.514) 8.939 3.548 ( -8.734 1.833 0.514) 8.939 3.819 ( 0.366 -1.493 -0.166) 1.546 3.819 ( 0.366 1.493 -0.166) 1.546 4.020 ( -3.448 -1.847 0.662) 3.967 4.020 ( -3.448 1.847 0.662) 3.967 4.217 ( -3.114 -0.863 0.609) 3.288 4.217 ( -3.114 0.863 0.609) 3.288 4.553 ( 3.157 -2.666 1.066) 4.267 4.553 ( 3.157 2.666 1.066) 4.267 4.832 ( -1.795 -3.991 -0.954) 4.479 4.832 ( -1.795 3.991 -0.954) 4.479 4.967 ( 3.227 -2.094 -0.539) 3.885 4.967 ( 3.227 2.094 -0.539) 3.885 5.300 ( 0.292 -0.804 -0.159) 0.870 5.300 ( 0.292 0.804 -0.159) 0.870 6.405 ( -1.976 -0.316 0.412) 2.043 6.405 ( -1.976 0.316 0.412) 2.043 6.662 ( -2.603 -0.718 -0.636) 2.774 6.662 ( -2.603 0.718 -0.636) 2.774 7.624 ( 9.220 -4.495 4.577) 11.232 7.624 ( 9.220 4.495 4.577) 11.232 8.625 ( -9.580 -0.196 -2.403) 9.878 8.625 ( -9.580 0.196 -2.403) 9.878 13.238 ( 3.292 -0.768 0.350) 3.398 13.238 ( 3.292 0.768 0.350) 3.398 13.551 ( 0.682 -0.412 0.096) 0.802 13.551 ( 0.682 0.412 0.096) 0.802 13.591 ( 3.042 -2.200 0.350) 3.770 13.591 ( 3.042 2.200 0.350) 3.770 13.985 ( 3.740 -1.046 0.006) 3.884 13.985 ( 3.740 1.046 0.006) 3.884 14.198 ( 4.860 -4.444 -0.201) 6.589 14.198 ( 4.860 4.444 -0.201) 6.589 ======================= Grid point 161 (92/96) ======================= q-point: ( 0.44 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 1.927 -7.374 -1.196) 7.715 0.581 ( 1.927 7.374 -1.196) 7.715 0.934 ( 9.891 -3.045 1.915) 10.524 0.934 ( 9.891 3.045 1.915) 10.524 1.179 ( -1.630 -5.883 -2.957) 6.783 1.179 ( -1.630 5.883 -2.957) 6.783 1.392 ( -1.482 -5.600 0.761) 5.843 1.392 ( -1.482 5.600 0.761) 5.843 1.462 ( -4.174 -1.515 -2.688) 5.190 1.462 ( -4.174 1.515 -2.688) 5.190 1.756 ( -0.087 -2.093 0.042) 2.095 1.756 ( -0.087 2.093 0.042) 2.095 1.907 ( 1.343 -3.522 -0.343) 3.785 1.907 ( 1.343 3.522 -0.343) 3.785 2.026 ( -4.243 -2.561 0.859) 5.030 2.026 ( -4.243 2.561 0.859) 5.030 2.273 ( 3.670 -2.583 -1.817) 4.842 2.273 ( 3.670 2.583 -1.817) 4.842 2.597 ( 2.644 -1.472 -1.622) 3.433 2.597 ( 2.644 1.472 -1.622) 3.433 2.625 ( 3.167 -1.045 -0.123) 3.337 2.625 ( 3.167 1.045 -0.123) 3.337 2.804 ( -0.803 -4.184 1.096) 4.399 2.804 ( -0.803 4.184 1.096) 4.399 2.855 ( 1.097 -5.176 -2.631) 5.909 2.855 ( 1.097 5.176 -2.631) 5.909 3.064 ( 0.858 -1.670 0.680) 1.996 3.064 ( 0.858 1.670 0.680) 1.996 3.262 ( 3.256 -0.371 1.434) 3.577 3.262 ( 3.256 0.371 1.434) 3.577 3.394 ( -6.942 -3.191 1.133) 7.724 3.394 ( -6.942 3.191 1.133) 7.724 3.456 ( 0.702 -2.202 -1.652) 2.841 3.456 ( 0.702 2.202 -1.652) 2.841 3.826 ( -0.306 -0.351 0.897) 1.011 3.826 ( -0.306 0.351 0.897) 1.011 3.976 ( -1.512 -1.315 0.129) 2.008 3.976 ( -1.512 1.315 0.129) 2.008 4.182 ( -1.153 -0.471 0.023) 1.246 4.182 ( -1.153 0.471 0.023) 1.246 4.608 ( 1.600 -2.814 1.216) 3.458 4.608 ( 1.600 2.814 1.216) 3.458 4.785 ( -1.721 -3.473 -1.095) 4.027 4.785 ( -1.721 3.473 -1.095) 4.027 5.019 ( 2.284 -1.091 -0.371) 2.558 5.019 ( 2.284 1.091 -0.371) 2.558 5.299 ( -0.068 -0.608 -0.175) 0.637 5.299 ( -0.068 0.608 -0.175) 0.637 6.380 ( -1.121 -0.105 0.390) 1.192 6.380 ( -1.121 0.105 0.390) 1.192 6.626 ( -0.852 -0.546 -0.362) 1.075 6.626 ( -0.852 0.546 -0.362) 1.075 7.777 ( 3.416 -2.075 3.198) 5.118 7.777 ( 3.416 2.075 3.198) 5.118 8.488 ( -3.414 -0.119 -1.663) 3.799 8.488 ( -3.414 0.119 -1.663) 3.799 13.280 ( 0.958 -0.269 0.488) 1.108 13.280 ( 0.958 0.269 0.488) 1.108 13.552 ( -0.194 -0.516 0.169) 0.577 13.552 ( -0.194 0.516 0.169) 0.577 13.642 ( 1.944 -1.512 -0.208) 2.471 13.642 ( 1.944 1.512 -0.208) 2.471 14.035 ( 1.394 -1.002 0.710) 1.858 14.035 ( 1.394 1.002 0.710) 1.858 14.248 ( 2.184 -3.273 -1.345) 4.159 14.248 ( 2.184 3.273 -1.345) 4.159 ======================= Grid point 163 (93/96) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -0.380 -1.356 -1.167) 1.828 0.579 ( -0.380 1.356 -1.167) 1.828 1.015 ( -9.619 -2.423 -5.340) 11.265 1.015 ( -9.619 2.423 -5.340) 11.265 1.121 ( 5.070 -6.435 2.282) 8.504 1.121 ( 5.070 6.435 2.282) 8.504 1.389 ( 0.354 -3.151 1.695) 3.595 1.389 ( 0.354 3.151 1.695) 3.595 1.433 ( 2.701 -4.983 -0.490) 5.689 1.433 ( 2.701 4.983 -0.490) 5.689 1.749 ( 0.008 -0.003 0.591) 0.591 1.749 ( 0.008 0.003 0.591) 0.591 1.895 ( -4.568 -3.162 0.955) 5.637 1.895 ( -4.568 3.162 0.955) 5.637 2.022 ( 3.130 -1.935 1.275) 3.895 2.022 ( 3.130 1.935 1.275) 3.895 2.260 ( -3.695 -1.960 -0.634) 4.230 2.260 ( -3.695 1.960 -0.634) 4.230 2.582 ( -1.342 -1.687 -0.580) 2.232 2.582 ( -1.342 1.687 -0.580) 2.232 2.629 ( -4.250 -1.142 -0.037) 4.401 2.629 ( -4.250 1.142 -0.037) 4.401 2.804 ( -0.980 -4.566 1.207) 4.823 2.804 ( -0.980 4.566 1.207) 4.823 2.841 ( 0.902 -5.320 -1.598) 5.628 2.841 ( 0.902 5.320 -1.598) 5.628 3.070 ( -0.731 -1.501 0.076) 1.671 3.070 ( -0.731 1.501 0.076) 1.671 3.273 ( -3.258 -0.469 0.580) 3.343 3.273 ( -3.258 0.469 0.580) 3.343 3.383 ( 3.324 -2.084 1.408) 4.169 3.383 ( 3.324 2.084 1.408) 4.169 3.473 ( 4.615 -4.562 -2.687) 7.024 3.473 ( 4.615 4.562 -2.687) 7.024 3.817 ( -2.330 -0.362 1.774) 2.951 3.817 ( -2.330 0.362 1.774) 2.951 3.986 ( 2.841 -0.373 -0.852) 2.989 3.986 ( 2.841 0.373 -0.852) 2.989 4.184 ( 1.557 -0.323 -0.115) 1.594 4.184 ( 1.557 0.323 -0.115) 1.594 4.618 ( -1.729 -0.651 0.296) 1.871 4.618 ( -1.729 0.651 0.296) 1.871 4.775 ( 1.736 -1.282 -0.206) 2.168 4.775 ( 1.736 1.282 -0.206) 2.168 5.014 ( -2.642 -0.720 0.098) 2.740 5.014 ( -2.642 0.720 0.098) 2.740 5.299 ( 0.259 -0.250 -0.158) 0.394 5.299 ( 0.259 0.250 -0.158) 0.394 6.384 ( 1.212 -0.013 0.059) 1.213 6.384 ( 1.212 0.013 0.059) 1.213 6.624 ( 0.953 -0.351 -0.195) 1.034 6.624 ( 0.953 0.351 -0.195) 1.034 7.809 ( -1.969 -2.173 0.175) 2.937 7.809 ( -1.969 2.173 0.175) 2.937 8.476 ( 3.477 -0.523 -0.573) 3.563 8.476 ( 3.477 0.523 -0.573) 3.563 13.279 ( -1.690 -0.485 0.540) 1.839 13.279 ( -1.690 0.485 0.540) 1.839 13.553 ( 0.236 -0.202 0.016) 0.311 13.553 ( 0.236 0.202 0.016) 0.311 13.644 ( -1.233 -0.822 -0.432) 1.544 13.644 ( -1.233 0.822 -0.432) 1.544 14.038 ( -2.014 -0.545 0.448) 2.135 14.038 ( -2.014 0.545 0.448) 2.135 14.251 ( 0.219 -0.267 -1.546) 1.584 14.251 ( 0.219 0.267 -1.546) 1.584 ======================= Grid point 165 (94/96) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -5.222 -3.284 -1.671) 6.391 0.527 ( -5.222 3.284 -1.671) 6.391 0.800 ( -6.777 -3.256 -1.472) 7.662 0.800 ( -6.777 3.256 -1.472) 7.662 1.169 ( -0.871 -9.790 1.062) 9.886 1.169 ( -0.871 9.790 1.062) 9.886 1.411 ( 0.813 -8.234 0.920) 8.325 1.411 ( 0.813 8.234 0.920) 8.325 1.515 ( 3.337 -0.659 1.390) 3.675 1.515 ( 3.337 0.659 1.390) 3.675 1.737 ( -2.950 -1.223 -0.968) 3.337 1.737 ( -2.950 1.223 -0.968) 3.337 1.866 ( -0.465 -4.114 4.690) 6.256 1.866 ( -0.465 4.114 4.690) 6.256 2.086 ( -3.351 -2.379 0.612) 4.155 2.086 ( -3.351 2.379 0.612) 4.155 2.149 ( -3.778 -2.076 1.142) 4.459 2.149 ( -3.778 2.076 1.142) 4.459 2.463 ( -9.086 -2.805 0.680) 9.534 2.463 ( -9.086 2.805 0.680) 9.534 2.612 ( 0.944 -2.319 -0.030) 2.504 2.612 ( 0.944 2.319 -0.030) 2.504 2.798 ( -0.772 -4.264 0.633) 4.379 2.798 ( -0.772 4.264 0.633) 4.379 2.847 ( 0.990 -4.440 -0.695) 4.602 2.847 ( 0.990 4.440 -0.695) 4.602 3.037 ( -2.773 -1.822 -0.589) 3.370 3.037 ( -2.773 1.822 -0.589) 3.370 3.227 ( -2.247 -1.225 -0.226) 2.570 3.227 ( -2.247 1.225 -0.226) 2.570 3.432 ( 1.661 -2.820 -0.066) 3.273 3.432 ( 1.661 2.820 -0.066) 3.273 3.569 ( 8.265 -3.135 -1.536) 8.972 3.569 ( 8.265 3.135 -1.536) 8.972 3.800 ( -1.669 -1.403 1.693) 2.761 3.800 ( -1.669 1.403 1.693) 2.761 4.032 ( 3.158 -0.298 -0.669) 3.242 4.032 ( 3.158 0.298 -0.669) 3.242 4.232 ( 4.162 -0.872 -0.688) 4.307 4.232 ( 4.162 0.872 -0.688) 4.307 4.566 ( -4.043 -2.060 -0.189) 4.542 4.566 ( -4.043 2.060 -0.189) 4.542 4.819 ( 2.552 -3.509 0.253) 4.347 4.819 ( 2.552 3.509 0.253) 4.347 4.956 ( -3.507 -2.262 0.555) 4.210 4.956 ( -3.507 2.262 0.555) 4.210 5.299 ( -0.137 -0.083 -0.096) 0.187 5.299 ( -0.137 0.083 -0.096) 0.187 6.413 ( 1.961 -0.183 -0.316) 1.995 6.413 ( 1.961 0.183 -0.316) 1.995 6.654 ( 2.461 -0.928 0.177) 2.636 6.654 ( 2.461 0.928 0.177) 2.636 7.707 ( -8.124 -6.202 -3.347) 10.755 7.707 ( -8.124 6.202 -3.347) 10.755 8.589 ( 9.174 -0.756 1.000) 9.259 8.589 ( 9.174 0.756 1.000) 9.259 13.237 ( -3.769 -1.065 0.431) 3.940 13.237 ( -3.769 1.065 0.431) 3.940 13.552 ( -0.984 -0.531 -0.035) 1.119 13.552 ( -0.984 0.531 -0.035) 1.119 13.601 ( -2.090 -0.841 -0.680) 2.353 13.601 ( -2.090 0.841 -0.680) 2.353 13.981 ( -4.673 -0.631 0.199) 4.720 13.981 ( -4.673 0.631 0.199) 4.720 14.219 ( -1.866 -3.484 -2.030) 4.443 14.219 ( -1.866 3.484 -2.030) 4.443 ======================= Grid point 167 (95/96) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -6.046 -6.679 1.526) 9.137 0.393 ( -6.046 6.679 1.526) 9.137 0.796 ( 1.393 -4.897 4.881) 7.053 0.796 ( 1.393 4.897 4.881) 7.053 1.144 ( -3.300 -9.782 1.381) 10.416 1.144 ( -3.300 9.782 1.381) 10.416 1.431 ( -2.094 -7.588 1.741) 8.062 1.431 ( -2.094 7.588 1.741) 8.062 1.500 ( -4.124 -2.906 -2.937) 5.838 1.500 ( -4.124 2.906 -2.937) 5.838 1.692 ( -2.420 -2.433 2.774) 4.413 1.692 ( -2.420 2.433 2.774) 4.413 1.829 ( -10.287 -2.363 -0.710) 10.579 1.829 ( -10.287 2.363 -0.710) 10.579 1.980 ( -0.330 -2.159 3.386) 4.029 1.980 ( -0.330 2.159 3.386) 4.029 2.223 ( 4.373 -2.221 1.598) 5.159 2.223 ( 4.373 2.221 1.598) 5.159 2.360 ( -3.744 -5.552 1.001) 6.771 2.360 ( -3.744 5.552 1.001) 6.771 2.620 ( -0.848 -4.256 0.602) 4.381 2.620 ( -0.848 4.256 0.602) 4.381 2.797 ( 0.473 -3.270 -0.524) 3.345 2.797 ( 0.473 3.270 -0.524) 3.345 2.849 ( -0.084 -3.339 -0.435) 3.369 2.849 ( -0.084 3.339 -0.435) 3.369 2.979 ( -2.691 -2.133 -0.246) 3.443 2.979 ( -2.691 2.133 -0.246) 3.443 3.195 ( -0.862 -1.524 -0.479) 1.815 3.195 ( -0.862 1.524 -0.479) 1.815 3.449 ( 1.029 -5.532 -1.083) 5.730 3.449 ( 1.029 5.532 -1.083) 5.730 3.684 ( 5.872 -3.111 -0.318) 6.653 3.684 ( 5.872 3.111 -0.318) 6.653 3.803 ( 0.098 -2.802 1.171) 3.038 3.803 ( 0.098 2.802 1.171) 3.038 4.077 ( 2.743 -0.394 -0.404) 2.801 4.077 ( 2.743 0.394 -0.404) 2.801 4.291 ( 3.750 -0.654 -1.475) 4.083 4.291 ( 3.750 0.654 -1.475) 4.083 4.483 ( -5.208 -1.394 0.097) 5.392 4.483 ( -5.208 1.394 0.097) 5.392 4.850 ( 0.796 -2.332 0.274) 2.480 4.850 ( 0.796 2.332 0.274) 2.480 4.934 ( 0.118 -3.163 0.571) 3.216 4.934 ( 0.118 3.163 0.571) 3.216 5.291 ( -0.743 -0.062 -0.072) 0.750 5.291 ( -0.743 0.062 -0.072) 0.750 6.437 ( 1.396 -0.560 -0.361) 1.547 6.437 ( 1.396 0.560 -0.361) 1.547 6.705 ( 2.750 -0.645 0.597) 2.888 6.705 ( 2.750 0.645 0.597) 2.888 7.463 ( -14.213 -6.706 -4.787) 16.429 7.463 ( -14.213 6.706 -4.787) 16.429 8.796 ( 11.945 -1.005 2.550) 12.256 8.796 ( 11.945 1.005 2.550) 12.256 13.167 ( -4.539 -1.288 0.133) 4.720 13.167 ( -4.539 1.288 0.133) 4.720 13.501 ( -3.734 -0.868 -0.399) 3.854 13.501 ( -3.734 0.868 -0.399) 3.854 13.584 ( 0.245 -1.566 -0.580) 1.688 13.584 ( 0.245 1.566 -0.580) 1.688 13.899 ( -4.960 -0.718 0.526) 5.039 13.899 ( -4.960 0.718 0.526) 5.039 14.135 ( -4.427 -3.808 -3.059) 6.592 14.135 ( -4.427 3.808 -3.059) 6.592 ======================= Grid point 169 (96/96) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.64e-04 1.64e-04 1.64e-04 1.64e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 4.672 -8.058 7.690) 12.079 0.443 ( 4.672 8.058 7.690) 12.079 0.851 ( -1.592 -4.355 1.302) 4.817 0.851 ( -1.592 4.355 1.302) 4.817 1.063 ( -12.620 -4.902 4.517) 14.272 1.063 ( -12.620 4.902 4.517) 14.272 1.293 ( -4.762 -5.696 -3.245) 8.102 1.293 ( -4.762 5.696 -3.245) 8.102 1.450 ( -0.590 -4.429 0.252) 4.476 1.450 ( -0.590 4.429 0.252) 4.476 1.656 ( -2.517 -2.752 -0.683) 3.791 1.656 ( -2.517 2.752 -0.683) 3.791 1.775 ( 0.997 -0.370 2.719) 2.920 1.775 ( 0.997 0.370 2.719) 2.920 2.008 ( -0.817 -1.857 1.502) 2.524 2.008 ( -0.817 1.857 1.502) 2.524 2.278 ( 0.520 -3.273 0.788) 3.407 2.278 ( 0.520 3.273 0.788) 3.407 2.361 ( 1.612 -5.825 0.972) 6.122 2.361 ( 1.612 5.825 0.972) 6.122 2.598 ( -1.934 -3.616 0.408) 4.121 2.598 ( -1.934 3.616 0.408) 4.121 2.779 ( -0.665 -1.433 -2.170) 2.684 2.779 ( -0.665 1.433 -2.170) 2.684 2.857 ( 0.660 -2.497 1.242) 2.866 2.857 ( 0.660 2.497 1.242) 2.866 2.954 ( -0.089 -1.615 -0.223) 1.633 2.954 ( -0.089 1.615 -0.223) 1.633 3.189 ( 0.246 -2.116 0.109) 2.133 3.189 ( 0.246 2.116 0.109) 2.133 3.442 ( -0.136 -5.032 -1.355) 5.213 3.442 ( -0.136 5.032 -1.355) 5.213 3.754 ( 2.375 -3.216 0.461) 4.024 3.754 ( 2.375 3.216 0.461) 4.024 3.822 ( 1.094 -2.893 -0.309) 3.108 3.822 ( 1.094 2.893 -0.309) 3.108 4.113 ( 1.995 -0.101 -0.511) 2.062 4.113 ( 1.995 0.101 -0.511) 2.062 4.322 ( 1.766 -0.248 -1.171) 2.133 4.322 ( 1.766 0.248 -1.171) 2.133 4.407 ( -3.821 -0.952 0.749) 4.008 4.407 ( -3.821 0.952 0.749) 4.008 4.865 ( 0.570 -1.594 0.566) 1.785 4.865 ( 0.570 1.594 0.566) 1.785 4.949 ( 0.805 -2.563 -0.080) 2.688 4.949 ( 0.805 2.563 -0.080) 2.688 5.276 ( -0.690 -0.178 -0.099) 0.720 5.276 ( -0.690 0.178 -0.099) 0.720 6.455 ( 0.977 -0.650 -0.075) 1.176 6.455 ( 0.977 0.650 -0.075) 1.176 6.751 ( 1.692 -0.183 0.544) 1.787 6.751 ( 1.692 0.183 0.544) 1.787 7.177 ( -12.337 -3.022 -2.253) 12.900 7.177 ( -12.337 3.022 -2.253) 12.900 9.016 ( 9.155 -1.604 2.554) 9.639 9.016 ( 9.155 1.604 2.554) 9.639 13.096 ( -3.257 -0.991 -0.141) 3.407 13.096 ( -3.257 0.991 -0.141) 3.407 13.441 ( -2.315 -0.780 -0.678) 2.535 13.441 ( -2.315 0.780 -0.678) 2.535 13.581 ( -0.052 -0.887 -0.281) 0.932 13.581 ( -0.052 0.887 -0.281) 0.932 13.837 ( -2.788 -0.705 0.742) 2.969 13.837 ( -2.788 0.705 0.742) 2.969 14.018 ( -4.480 -1.426 -2.852) 5.499 14.018 ( -4.480 1.426 -2.852) 5.499 =================== 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 3/16632 10.0 4.404 1.195 1.565 0.000 -0.426 0.000 3/16632 20.0 2.513 0.699 0.778 0.000 -0.148 0.000 3/16632 30.0 1.717 0.502 0.504 0.000 -0.085 0.000 3/16632 40.0 1.302 0.398 0.375 0.000 -0.060 0.000 3/16632 50.0 1.054 0.332 0.300 0.000 -0.047 0.000 3/16632 60.0 0.891 0.286 0.251 0.000 -0.039 0.000 3/16632 70.0 0.776 0.251 0.217 0.000 -0.033 0.000 3/16632 80.0 0.690 0.224 0.191 0.000 -0.029 0.000 3/16632 90.0 0.625 0.203 0.171 0.000 -0.026 0.000 3/16632 100.0 0.573 0.185 0.156 0.000 -0.023 0.000 3/16632 110.0 0.530 0.171 0.143 0.000 -0.021 0.000 3/16632 120.0 0.495 0.159 0.133 0.000 -0.020 0.000 3/16632 130.0 0.465 0.149 0.124 0.000 -0.019 0.000 3/16632 140.0 0.440 0.140 0.117 0.000 -0.017 0.000 3/16632 150.0 0.417 0.132 0.111 0.000 -0.016 0.000 3/16632 160.0 0.397 0.125 0.105 0.000 -0.016 0.000 3/16632 170.0 0.380 0.119 0.100 0.000 -0.015 0.000 3/16632 180.0 0.363 0.114 0.095 0.000 -0.014 0.000 3/16632 190.0 0.349 0.109 0.091 0.000 -0.014 0.000 3/16632 200.0 0.335 0.105 0.088 0.000 -0.013 0.000 3/16632 210.0 0.323 0.100 0.084 0.000 -0.013 0.000 3/16632 220.0 0.312 0.097 0.081 0.000 -0.012 0.000 3/16632 230.0 0.301 0.093 0.078 0.000 -0.012 0.000 3/16632 240.0 0.291 0.090 0.076 0.000 -0.012 0.000 3/16632 250.0 0.282 0.087 0.073 0.000 -0.011 0.000 3/16632 260.0 0.273 0.084 0.071 0.000 -0.011 0.000 3/16632 270.0 0.265 0.081 0.069 0.000 -0.011 0.000 3/16632 280.0 0.257 0.079 0.067 0.000 -0.010 0.000 3/16632 290.0 0.250 0.076 0.065 0.000 -0.010 0.000 3/16632 300.0 0.243 0.074 0.063 0.000 -0.010 0.000 3/16632 310.0 0.236 0.072 0.061 0.000 -0.010 0.000 3/16632 320.0 0.230 0.070 0.059 0.000 -0.009 0.000 3/16632 330.0 0.224 0.068 0.058 0.000 -0.009 0.000 3/16632 340.0 0.218 0.066 0.056 0.000 -0.009 0.000 3/16632 350.0 0.213 0.065 0.055 0.000 -0.009 0.000 3/16632 360.0 0.208 0.063 0.054 0.000 -0.008 0.000 3/16632 370.0 0.203 0.062 0.052 0.000 -0.008 0.000 3/16632 380.0 0.198 0.060 0.051 0.000 -0.008 0.000 3/16632 390.0 0.194 0.059 0.050 0.000 -0.008 0.000 3/16632 400.0 0.189 0.057 0.049 0.000 -0.008 0.000 3/16632 410.0 0.185 0.056 0.048 0.000 -0.008 0.000 3/16632 420.0 0.181 0.055 0.047 0.000 -0.007 0.000 3/16632 430.0 0.177 0.054 0.046 0.000 -0.007 0.000 3/16632 440.0 0.174 0.053 0.045 0.000 -0.007 0.000 3/16632 450.0 0.170 0.052 0.044 0.000 -0.007 0.000 3/16632 460.0 0.167 0.050 0.043 0.000 -0.007 0.000 3/16632 470.0 0.164 0.049 0.042 0.000 -0.007 0.000 3/16632 480.0 0.161 0.049 0.041 0.000 -0.007 0.000 3/16632 490.0 0.158 0.048 0.041 0.000 -0.006 0.000 3/16632 500.0 0.155 0.047 0.040 0.000 -0.006 0.000 3/16632 510.0 0.152 0.046 0.039 0.000 -0.006 0.000 3/16632 520.0 0.149 0.045 0.038 0.000 -0.006 0.000 3/16632 530.0 0.147 0.044 0.038 0.000 -0.006 0.000 3/16632 540.0 0.144 0.043 0.037 0.000 -0.006 0.000 3/16632 550.0 0.142 0.043 0.036 0.000 -0.006 0.000 3/16632 560.0 0.139 0.042 0.036 0.000 -0.006 0.000 3/16632 570.0 0.137 0.041 0.035 0.000 -0.006 0.000 3/16632 580.0 0.135 0.041 0.035 0.000 -0.006 0.000 3/16632 590.0 0.133 0.040 0.034 0.000 -0.005 0.000 3/16632 600.0 0.130 0.039 0.034 0.000 -0.005 0.000 3/16632 610.0 0.128 0.039 0.033 0.000 -0.005 0.000 3/16632 620.0 0.127 0.038 0.032 0.000 -0.005 0.000 3/16632 630.0 0.125 0.038 0.032 0.000 -0.005 0.000 3/16632 640.0 0.123 0.037 0.032 0.000 -0.005 0.000 3/16632 650.0 0.121 0.036 0.031 0.000 -0.005 0.000 3/16632 660.0 0.119 0.036 0.031 0.000 -0.005 0.000 3/16632 670.0 0.118 0.035 0.030 0.000 -0.005 0.000 3/16632 680.0 0.116 0.035 0.030 0.000 -0.005 0.000 3/16632 690.0 0.114 0.034 0.029 0.000 -0.005 0.000 3/16632 700.0 0.113 0.034 0.029 0.000 -0.005 0.000 3/16632 710.0 0.111 0.033 0.029 0.000 -0.005 0.000 3/16632 720.0 0.110 0.033 0.028 0.000 -0.005 0.000 3/16632 730.0 0.108 0.033 0.028 0.000 -0.004 0.000 3/16632 740.0 0.107 0.032 0.027 0.000 -0.004 0.000 3/16632 750.0 0.106 0.032 0.027 0.000 -0.004 0.000 3/16632 760.0 0.104 0.031 0.027 0.000 -0.004 0.000 3/16632 770.0 0.103 0.031 0.026 0.000 -0.004 0.000 3/16632 780.0 0.102 0.031 0.026 0.000 -0.004 0.000 3/16632 790.0 0.100 0.030 0.026 0.000 -0.004 0.000 3/16632 800.0 0.099 0.030 0.025 0.000 -0.004 0.000 3/16632 810.0 0.098 0.029 0.025 0.000 -0.004 0.000 3/16632 820.0 0.097 0.029 0.025 0.000 -0.004 0.000 3/16632 830.0 0.096 0.029 0.025 0.000 -0.004 0.000 3/16632 840.0 0.095 0.028 0.024 0.000 -0.004 0.000 3/16632 850.0 0.094 0.028 0.024 0.000 -0.004 0.000 3/16632 860.0 0.092 0.028 0.024 0.000 -0.004 0.000 3/16632 870.0 0.091 0.027 0.023 0.000 -0.004 0.000 3/16632 880.0 0.090 0.027 0.023 0.000 -0.004 0.000 3/16632 890.0 0.089 0.027 0.023 0.000 -0.004 0.000 3/16632 900.0 0.088 0.027 0.023 0.000 -0.004 0.000 3/16632 910.0 0.088 0.026 0.022 0.000 -0.004 0.000 3/16632 920.0 0.087 0.026 0.022 0.000 -0.004 0.000 3/16632 930.0 0.086 0.026 0.022 0.000 -0.004 0.000 3/16632 940.0 0.085 0.025 0.022 0.000 -0.003 0.000 3/16632 950.0 0.084 0.025 0.022 0.000 -0.003 0.000 3/16632 960.0 0.083 0.025 0.021 0.000 -0.003 0.000 3/16632 970.0 0.082 0.025 0.021 0.000 -0.003 0.000 3/16632 980.0 0.081 0.024 0.021 0.000 -0.003 0.000 3/16632 990.0 0.081 0.024 0.021 0.000 -0.003 0.000 3/16632 1000.0 0.080 0.024 0.020 0.000 -0.003 0.000 3/16632 Thermal conductivity related properties were written into "kappa-m947.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:59:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|