----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:18:04]------------------------- 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: [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.102514195403129 -4.846537515000001 0.000000000000000 b 5.102514195403129 4.846537515000001 0.000000000000000 c -1.129686433739060 0.000000000000000 5.277239920884601 Atomic positions (fractional): *1 O 0.14169041988800 0.60883985340715 0.87106566730870 15.999 2 O 0.39116014659285 0.85830958011200 0.62893433269130 15.999 3 O 0.85830958011200 0.39116014659285 0.12893433269130 15.999 4 O 0.60883985340715 0.14169041988800 0.37106566730870 15.999 *5 O 0.40831213156830 0.29935167317123 0.93481735384430 15.999 6 O 0.70064832682877 0.59168786843170 0.56518264615570 15.999 7 O 0.59168786843170 0.70064832682877 0.06518264615570 15.999 8 O 0.29935167317123 0.40831213156830 0.43481735384430 15.999 *9 O 0.97225591140347 0.78603945043616 0.34718983806835 15.999 10 O 0.21396054956384 0.02774408859653 0.15281016193165 15.999 11 O 0.02774408859653 0.21396054956384 0.65281016193165 15.999 12 O 0.78603945043616 0.97225591140347 0.84718983806835 15.999 *13 Ge 0.61486409667026 0.79369366992951 0.77598652025120 72.640 14 Ge 0.20630633007049 0.38513590332974 0.72401347974880 72.640 15 Ge 0.38513590332974 0.20630633007049 0.22401347974880 72.640 16 Ge 0.79369366992951 0.61486409667026 0.27598652025120 72.640 *17 Cd 0.71133797058257 0.28866202941743 0.75000000000000 112.411 18 Cd 0.28866202941743 0.71133797058257 0.25000000000000 112.411 *19 Cd 0.09611369649466 0.90388630350534 0.75000000000000 112.411 20 Cd 0.90388630350534 0.09611369649466 0.25000000000000 112.411 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.205028390806259 0.000000000000000 0.000000000000000 b 0.000000000000000 9.693075030000001 0.000000000000000 c -1.129686433739060 0.000000000000000 5.277239920884601 Atomic positions (fractional): *1 O 0.87526513664757 0.73357471675958 0.87106566730870 15.999 > 1 2 O 0.12473486335243 0.73357471675958 0.62893433269130 15.999 > 2 3 O 0.12473486335243 0.26642528324042 0.12893433269130 15.999 > 3 4 O 0.87526513664757 0.26642528324042 0.37106566730870 15.999 > 4 *5 O 0.85383190236976 0.44551977080146 0.93481735384430 15.999 > 5 6 O 0.14616809763024 0.44551977080146 0.56518264615570 15.999 > 6 7 O 0.14616809763024 0.55448022919854 0.06518264615570 15.999 > 7 8 O 0.85383190236976 0.55448022919854 0.43481735384430 15.999 > 8 *9 O 0.37914768091981 0.40689176951635 0.34718983806835 15.999 > 9 10 O 0.62085231908019 0.40689176951635 0.15281016193165 15.999 > 10 11 O 0.62085231908019 0.59310823048365 0.65281016193165 15.999 > 11 12 O 0.37914768091981 0.59310823048365 0.84718983806835 15.999 > 12 13 O 0.37526513664757 0.23357471675958 0.87106566730870 15.999 > 1 14 O 0.62473486335243 0.23357471675958 0.62893433269130 15.999 > 2 15 O 0.62473486335243 0.76642528324042 0.12893433269130 15.999 > 3 16 O 0.37526513664757 0.76642528324042 0.37106566730870 15.999 > 4 17 O 0.35383190236976 0.94551977080146 0.93481735384430 15.999 > 5 18 O 0.64616809763024 0.94551977080146 0.56518264615570 15.999 > 6 19 O 0.64616809763024 0.05448022919854 0.06518264615570 15.999 > 7 20 O 0.35383190236976 0.05448022919854 0.43481735384430 15.999 > 8 21 O 0.87914768091981 0.90689176951635 0.34718983806835 15.999 > 9 22 O 0.12085231908019 0.90689176951635 0.15281016193165 15.999 > 10 23 O 0.12085231908019 0.09310823048365 0.65281016193165 15.999 > 11 24 O 0.87914768091981 0.09310823048365 0.84718983806835 15.999 > 12 *25 Ge 0.20427888329988 0.58941478662962 0.77598652025120 72.640 > 13 26 Ge 0.79572111670012 0.58941478662962 0.72401347974880 72.640 > 14 27 Ge 0.79572111670012 0.41058521337038 0.22401347974880 72.640 > 15 28 Ge 0.20427888329988 0.41058521337038 0.27598652025120 72.640 > 16 29 Ge 0.70427888329988 0.08941478662962 0.77598652025120 72.640 > 13 30 Ge 0.29572111670012 0.08941478662962 0.72401347974880 72.640 > 14 31 Ge 0.29572111670012 0.91058521337038 0.22401347974880 72.640 > 15 32 Ge 0.70427888329988 0.91058521337038 0.27598652025120 72.640 > 16 *33 Cd 0.00000000000000 0.28866202941743 0.75000000000000 112.411 > 17 34 Cd 0.00000000000000 0.71133797058257 0.25000000000000 112.411 > 18 *35 Cd 0.00000000000000 0.90388630350534 0.75000000000000 112.411 > 19 36 Cd 0.00000000000000 0.09611369649466 0.25000000000000 112.411 > 20 37 Cd 0.50000000000000 0.78866202941743 0.75000000000000 112.411 > 17 38 Cd 0.50000000000000 0.21133797058257 0.25000000000000 112.411 > 18 39 Cd 0.50000000000000 0.40388630350534 0.75000000000000 112.411 > 19 40 Cd 0.50000000000000 0.59611369649466 0.25000000000000 112.411 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.205028390806259 0.000000000000000 0.000000000000000 b 0.000000000000000 9.693075030000001 0.000000000000000 c -2.259372867478120 0.000000000000000 10.554479841769203 Atomic positions (fractional): *1 O 0.87526513664757 0.73357471675958 0.43553283365435 15.999 > 1 2 O 0.87526513664757 0.73357471675958 0.93553283365435 15.999 > 1 3 O 0.12473486335243 0.73357471675958 0.31446716634565 15.999 > 2 4 O 0.12473486335243 0.73357471675958 0.81446716634565 15.999 > 2 5 O 0.12473486335243 0.26642528324042 0.06446716634565 15.999 > 3 6 O 0.12473486335243 0.26642528324042 0.56446716634565 15.999 > 3 7 O 0.87526513664757 0.26642528324042 0.18553283365435 15.999 > 4 8 O 0.87526513664757 0.26642528324042 0.68553283365435 15.999 > 4 *9 O 0.85383190236976 0.44551977080146 0.46740867692215 15.999 > 5 10 O 0.85383190236976 0.44551977080146 0.96740867692215 15.999 > 5 11 O 0.14616809763024 0.44551977080146 0.28259132307785 15.999 > 6 12 O 0.14616809763024 0.44551977080146 0.78259132307785 15.999 > 6 13 O 0.14616809763024 0.55448022919854 0.03259132307785 15.999 > 7 14 O 0.14616809763024 0.55448022919854 0.53259132307785 15.999 > 7 15 O 0.85383190236976 0.55448022919854 0.21740867692215 15.999 > 8 16 O 0.85383190236976 0.55448022919854 0.71740867692215 15.999 > 8 *17 O 0.37914768091981 0.40689176951635 0.17359491903418 15.999 > 9 18 O 0.37914768091981 0.40689176951635 0.67359491903418 15.999 > 9 19 O 0.62085231908019 0.40689176951635 0.07640508096582 15.999 > 10 20 O 0.62085231908019 0.40689176951635 0.57640508096582 15.999 > 10 21 O 0.62085231908019 0.59310823048365 0.32640508096582 15.999 > 11 22 O 0.62085231908019 0.59310823048365 0.82640508096582 15.999 > 11 23 O 0.37914768091981 0.59310823048365 0.42359491903418 15.999 > 12 24 O 0.37914768091981 0.59310823048365 0.92359491903418 15.999 > 12 25 O 0.37526513664757 0.23357471675958 0.43553283365435 15.999 > 1 26 O 0.37526513664757 0.23357471675958 0.93553283365435 15.999 > 1 27 O 0.62473486335243 0.23357471675958 0.31446716634565 15.999 > 2 28 O 0.62473486335243 0.23357471675958 0.81446716634565 15.999 > 2 29 O 0.62473486335243 0.76642528324042 0.06446716634565 15.999 > 3 30 O 0.62473486335243 0.76642528324042 0.56446716634565 15.999 > 3 31 O 0.37526513664757 0.76642528324042 0.18553283365435 15.999 > 4 32 O 0.37526513664757 0.76642528324042 0.68553283365435 15.999 > 4 33 O 0.35383190236976 0.94551977080146 0.46740867692215 15.999 > 5 34 O 0.35383190236976 0.94551977080146 0.96740867692215 15.999 > 5 35 O 0.64616809763024 0.94551977080146 0.28259132307785 15.999 > 6 36 O 0.64616809763024 0.94551977080146 0.78259132307785 15.999 > 6 37 O 0.64616809763024 0.05448022919854 0.03259132307785 15.999 > 7 38 O 0.64616809763024 0.05448022919854 0.53259132307785 15.999 > 7 39 O 0.35383190236976 0.05448022919854 0.21740867692215 15.999 > 8 40 O 0.35383190236976 0.05448022919854 0.71740867692215 15.999 > 8 41 O 0.87914768091981 0.90689176951635 0.17359491903418 15.999 > 9 42 O 0.87914768091981 0.90689176951635 0.67359491903418 15.999 > 9 43 O 0.12085231908019 0.90689176951635 0.07640508096582 15.999 > 10 44 O 0.12085231908019 0.90689176951635 0.57640508096582 15.999 > 10 45 O 0.12085231908019 0.09310823048365 0.32640508096582 15.999 > 11 46 O 0.12085231908019 0.09310823048365 0.82640508096582 15.999 > 11 47 O 0.87914768091981 0.09310823048365 0.42359491903418 15.999 > 12 48 O 0.87914768091981 0.09310823048365 0.92359491903418 15.999 > 12 *49 Ge 0.20427888329988 0.58941478662962 0.38799326012560 72.640 > 13 50 Ge 0.20427888329988 0.58941478662962 0.88799326012560 72.640 > 13 51 Ge 0.79572111670012 0.58941478662962 0.36200673987440 72.640 > 14 52 Ge 0.79572111670012 0.58941478662962 0.86200673987440 72.640 > 14 53 Ge 0.79572111670012 0.41058521337038 0.11200673987440 72.640 > 15 54 Ge 0.79572111670012 0.41058521337038 0.61200673987440 72.640 > 15 55 Ge 0.20427888329988 0.41058521337038 0.13799326012560 72.640 > 16 56 Ge 0.20427888329988 0.41058521337038 0.63799326012560 72.640 > 16 57 Ge 0.70427888329988 0.08941478662962 0.38799326012560 72.640 > 13 58 Ge 0.70427888329988 0.08941478662962 0.88799326012560 72.640 > 13 59 Ge 0.29572111670012 0.08941478662962 0.36200673987440 72.640 > 14 60 Ge 0.29572111670012 0.08941478662962 0.86200673987440 72.640 > 14 61 Ge 0.29572111670012 0.91058521337038 0.11200673987440 72.640 > 15 62 Ge 0.29572111670012 0.91058521337038 0.61200673987440 72.640 > 15 63 Ge 0.70427888329988 0.91058521337038 0.13799326012560 72.640 > 16 64 Ge 0.70427888329988 0.91058521337038 0.63799326012560 72.640 > 16 *65 Cd 0.00000000000000 0.28866202941743 0.37500000000000 112.411 > 17 66 Cd 0.00000000000000 0.28866202941743 0.87500000000000 112.411 > 17 67 Cd 0.00000000000000 0.71133797058257 0.12500000000000 112.411 > 18 68 Cd 0.00000000000000 0.71133797058257 0.62500000000000 112.411 > 18 *69 Cd 0.00000000000000 0.90388630350534 0.37500000000000 112.411 > 19 70 Cd 0.00000000000000 0.90388630350534 0.87500000000000 112.411 > 19 71 Cd 0.00000000000000 0.09611369649466 0.12500000000000 112.411 > 20 72 Cd 0.00000000000000 0.09611369649466 0.62500000000000 112.411 > 20 73 Cd 0.50000000000000 0.78866202941743 0.37500000000000 112.411 > 17 74 Cd 0.50000000000000 0.78866202941743 0.87500000000000 112.411 > 17 75 Cd 0.50000000000000 0.21133797058257 0.12500000000000 112.411 > 18 76 Cd 0.50000000000000 0.21133797058257 0.62500000000000 112.411 > 18 77 Cd 0.50000000000000 0.40388630350534 0.37500000000000 112.411 > 19 78 Cd 0.50000000000000 0.40388630350534 0.87500000000000 112.411 > 19 79 Cd 0.50000000000000 0.59611369649466 0.12500000000000 112.411 > 20 80 Cd 0.50000000000000 0.59611369649466 0.62500000000000 112.411 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1395043 0.0000000 0.0544089 0.0000000 4.0922555 0.0000000 0.0544076 0.0000000 4.2964885 -------------------------- Born effective charges -------------------------- 1 O -1.6014331 -0.5761667 -0.3336738 -0.4535268 -1.9575659 -0.3379687 -0.2735788 -0.1950643 -1.8067336 2 O -1.6014331 0.5761667 -0.3336738 0.4535268 -1.9575659 0.3379687 -0.2735788 0.1950643 -1.8067336 3 O -1.6014331 -0.5761667 -0.3336738 -0.4535268 -1.9575659 -0.3379687 -0.2735788 -0.1950643 -1.8067336 4 O -1.6014331 0.5761667 -0.3336738 0.4535268 -1.9575659 0.3379687 -0.2735788 0.1950643 -1.8067336 5 O -1.6464281 0.0621733 0.4318885 0.0999032 -1.8825455 0.6219595 0.3608355 0.6892786 -2.5083730 6 O -1.6464281 -0.0621733 0.4318885 -0.0999032 -1.8825455 -0.6219595 0.3608355 -0.6892786 -2.5083730 7 O -1.6464281 0.0621733 0.4318885 0.0999032 -1.8825455 0.6219595 0.3608355 0.6892786 -2.5083730 8 O -1.6464281 -0.0621733 0.4318885 -0.0999032 -1.8825455 -0.6219595 0.3608355 -0.6892786 -2.5083730 9 O -2.4881541 -0.0249500 -0.2827016 0.1118280 -1.6992553 0.0452395 -0.3112700 -0.0130641 -1.6829900 10 O -2.4881541 0.0249500 -0.2827016 -0.1118280 -1.6992553 -0.0452395 -0.3112700 0.0130641 -1.6829900 11 O -2.4881541 -0.0249500 -0.2827016 0.1118280 -1.6992553 0.0452395 -0.3112700 -0.0130641 -1.6829900 12 O -2.4881541 0.0249500 -0.2827016 -0.1118280 -1.6992553 -0.0452395 -0.3112700 0.0130641 -1.6829900 13 Ge 3.3211500 -0.3358188 0.1307393 0.2290110 3.0017600 -0.1969045 0.1696533 -0.0197113 3.5374791 14 Ge 3.3211500 0.3358188 0.1307393 -0.2290110 3.0017600 0.1969045 0.1696533 0.0197113 3.5374791 15 Ge 3.3211500 -0.3358188 0.1307393 0.2290110 3.0017600 -0.1969045 0.1696533 -0.0197113 3.5374791 16 Ge 3.3211500 0.3358188 0.1307393 -0.2290110 3.0017600 0.1969045 0.1696533 0.0197113 3.5374791 17 Cd 2.4554594 0.0000000 -0.0108524 0.0000000 2.3788397 0.0000000 0.0585682 0.0000000 2.5573991 18 Cd 2.4554594 0.0000000 -0.0108524 0.0000000 2.3788397 0.0000000 0.0585682 0.0000000 2.5573991 19 Cd 2.3742714 0.0000000 0.1183479 0.0000000 2.6963739 0.0000000 0.0501519 0.0000000 2.3638360 20 Cd 2.3742714 0.0000000 0.1183479 0.0000000 2.6963739 0.0000000 0.0501519 0.0000000 2.3638360 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 240/240 Permutation basis: 8844/8844 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.179 Solver_block: 200 / 640 - Time: 2.192 Solver_block: 300 / 640 - Time: 2.187 Solver_block: 400 / 640 - Time: 2.187 Solver_block: 500 / 640 - Time: 2.187 Solver_block: 600 / 640 - Time: 2.182 Solver_block: 640 / 640 - Time: 0.934 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.096 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 8844/8844 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1849), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 397), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:18:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:18:38]------------------------- 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): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.102514195403129 -4.846537515000001 0.000000000000000 b 5.102514195403129 4.846537515000001 0.000000000000000 c -1.129686433739060 0.000000000000000 5.277239920884601 Atomic positions (fractional): 1 O 0.14169041988800 0.60883985340715 0.87106566730870 15.999 2 O 0.39116014659285 0.85830958011200 0.62893433269130 15.999 3 O 0.85830958011200 0.39116014659285 0.12893433269130 15.999 4 O 0.60883985340715 0.14169041988800 0.37106566730870 15.999 5 O 0.40831213156830 0.29935167317123 0.93481735384430 15.999 6 O 0.70064832682877 0.59168786843170 0.56518264615570 15.999 7 O 0.59168786843170 0.70064832682877 0.06518264615570 15.999 8 O 0.29935167317123 0.40831213156830 0.43481735384430 15.999 9 O 0.97225591140347 0.78603945043616 0.34718983806835 15.999 10 O 0.21396054956384 0.02774408859653 0.15281016193165 15.999 11 O 0.02774408859653 0.21396054956384 0.65281016193165 15.999 12 O 0.78603945043616 0.97225591140347 0.84718983806835 15.999 13 Ge 0.61486409667026 0.79369366992951 0.77598652025120 72.640 14 Ge 0.20630633007049 0.38513590332974 0.72401347974880 72.640 15 Ge 0.38513590332974 0.20630633007049 0.22401347974880 72.640 16 Ge 0.79369366992951 0.61486409667026 0.27598652025120 72.640 17 Cd 0.71133797058257 0.28866202941743 0.75000000000000 112.411 18 Cd 0.28866202941743 0.71133797058257 0.25000000000000 112.411 19 Cd 0.09611369649466 0.90388630350534 0.75000000000000 112.411 20 Cd 0.90388630350534 0.09611369649466 0.25000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.205028390806259 0.000000000000000 0.000000000000000 b 0.000000000000000 9.693075030000001 0.000000000000000 c -2.259372867478120 0.000000000000000 10.554479841769203 Atomic positions (fractional): 1 O 0.87526513664757 0.73357471675958 0.43553283365435 15.999 > 1 2 O 0.87526513664757 0.73357471675958 0.93553283365435 15.999 > 1 3 O 0.12473486335243 0.73357471675958 0.31446716634565 15.999 > 3 4 O 0.12473486335243 0.73357471675958 0.81446716634565 15.999 > 3 5 O 0.12473486335243 0.26642528324042 0.06446716634565 15.999 > 5 6 O 0.12473486335243 0.26642528324042 0.56446716634565 15.999 > 5 7 O 0.87526513664757 0.26642528324042 0.18553283365435 15.999 > 7 8 O 0.87526513664757 0.26642528324042 0.68553283365435 15.999 > 7 9 O 0.85383190236976 0.44551977080146 0.46740867692215 15.999 > 9 10 O 0.85383190236976 0.44551977080146 0.96740867692215 15.999 > 9 11 O 0.14616809763024 0.44551977080146 0.28259132307785 15.999 > 11 12 O 0.14616809763024 0.44551977080146 0.78259132307785 15.999 > 11 13 O 0.14616809763024 0.55448022919854 0.03259132307785 15.999 > 13 14 O 0.14616809763024 0.55448022919854 0.53259132307785 15.999 > 13 15 O 0.85383190236976 0.55448022919854 0.21740867692215 15.999 > 15 16 O 0.85383190236976 0.55448022919854 0.71740867692215 15.999 > 15 17 O 0.37914768091981 0.40689176951635 0.17359491903418 15.999 > 17 18 O 0.37914768091981 0.40689176951635 0.67359491903418 15.999 > 17 19 O 0.62085231908019 0.40689176951635 0.07640508096582 15.999 > 19 20 O 0.62085231908019 0.40689176951635 0.57640508096582 15.999 > 19 21 O 0.62085231908019 0.59310823048365 0.32640508096582 15.999 > 21 22 O 0.62085231908019 0.59310823048365 0.82640508096582 15.999 > 21 23 O 0.37914768091981 0.59310823048365 0.42359491903418 15.999 > 23 24 O 0.37914768091981 0.59310823048365 0.92359491903418 15.999 > 23 25 O 0.37526513664757 0.23357471675958 0.43553283365435 15.999 > 1 26 O 0.37526513664757 0.23357471675958 0.93553283365435 15.999 > 1 27 O 0.62473486335243 0.23357471675958 0.31446716634565 15.999 > 3 28 O 0.62473486335243 0.23357471675958 0.81446716634565 15.999 > 3 29 O 0.62473486335243 0.76642528324042 0.06446716634565 15.999 > 5 30 O 0.62473486335243 0.76642528324042 0.56446716634565 15.999 > 5 31 O 0.37526513664757 0.76642528324042 0.18553283365435 15.999 > 7 32 O 0.37526513664757 0.76642528324042 0.68553283365435 15.999 > 7 33 O 0.35383190236976 0.94551977080146 0.46740867692215 15.999 > 9 34 O 0.35383190236976 0.94551977080146 0.96740867692215 15.999 > 9 35 O 0.64616809763024 0.94551977080146 0.28259132307785 15.999 > 11 36 O 0.64616809763024 0.94551977080146 0.78259132307785 15.999 > 11 37 O 0.64616809763024 0.05448022919854 0.03259132307785 15.999 > 13 38 O 0.64616809763024 0.05448022919854 0.53259132307785 15.999 > 13 39 O 0.35383190236976 0.05448022919854 0.21740867692215 15.999 > 15 40 O 0.35383190236976 0.05448022919854 0.71740867692215 15.999 > 15 41 O 0.87914768091981 0.90689176951635 0.17359491903418 15.999 > 17 42 O 0.87914768091981 0.90689176951635 0.67359491903418 15.999 > 17 43 O 0.12085231908019 0.90689176951635 0.07640508096582 15.999 > 19 44 O 0.12085231908019 0.90689176951635 0.57640508096582 15.999 > 19 45 O 0.12085231908019 0.09310823048365 0.32640508096582 15.999 > 21 46 O 0.12085231908019 0.09310823048365 0.82640508096582 15.999 > 21 47 O 0.87914768091981 0.09310823048365 0.42359491903418 15.999 > 23 48 O 0.87914768091981 0.09310823048365 0.92359491903418 15.999 > 23 49 Ge 0.20427888329988 0.58941478662962 0.38799326012560 72.640 > 49 50 Ge 0.20427888329988 0.58941478662962 0.88799326012560 72.640 > 49 51 Ge 0.79572111670012 0.58941478662962 0.36200673987440 72.640 > 51 52 Ge 0.79572111670012 0.58941478662962 0.86200673987440 72.640 > 51 53 Ge 0.79572111670012 0.41058521337038 0.11200673987440 72.640 > 53 54 Ge 0.79572111670012 0.41058521337038 0.61200673987440 72.640 > 53 55 Ge 0.20427888329988 0.41058521337038 0.13799326012560 72.640 > 55 56 Ge 0.20427888329988 0.41058521337038 0.63799326012560 72.640 > 55 57 Ge 0.70427888329988 0.08941478662962 0.38799326012560 72.640 > 49 58 Ge 0.70427888329988 0.08941478662962 0.88799326012560 72.640 > 49 59 Ge 0.29572111670012 0.08941478662962 0.36200673987440 72.640 > 51 60 Ge 0.29572111670012 0.08941478662962 0.86200673987440 72.640 > 51 61 Ge 0.29572111670012 0.91058521337038 0.11200673987440 72.640 > 53 62 Ge 0.29572111670012 0.91058521337038 0.61200673987440 72.640 > 53 63 Ge 0.70427888329988 0.91058521337038 0.13799326012560 72.640 > 55 64 Ge 0.70427888329988 0.91058521337038 0.63799326012560 72.640 > 55 65 Cd 0.00000000000000 0.28866202941743 0.37500000000000 112.411 > 65 66 Cd 0.00000000000000 0.28866202941743 0.87500000000000 112.411 > 65 67 Cd 0.00000000000000 0.71133797058257 0.12500000000000 112.411 > 67 68 Cd 0.00000000000000 0.71133797058257 0.62500000000000 112.411 > 67 69 Cd 0.00000000000000 0.90388630350534 0.37500000000000 112.411 > 69 70 Cd 0.00000000000000 0.90388630350534 0.87500000000000 112.411 > 69 71 Cd 0.00000000000000 0.09611369649466 0.12500000000000 112.411 > 71 72 Cd 0.00000000000000 0.09611369649466 0.62500000000000 112.411 > 71 73 Cd 0.50000000000000 0.78866202941743 0.37500000000000 112.411 > 65 74 Cd 0.50000000000000 0.78866202941743 0.87500000000000 112.411 > 65 75 Cd 0.50000000000000 0.21133797058257 0.12500000000000 112.411 > 67 76 Cd 0.50000000000000 0.21133797058257 0.62500000000000 112.411 > 67 77 Cd 0.50000000000000 0.40388630350534 0.37500000000000 112.411 > 69 78 Cd 0.50000000000000 0.40388630350534 0.87500000000000 112.411 > 69 79 Cd 0.50000000000000 0.59611369649466 0.12500000000000 112.411 > 71 80 Cd 0.50000000000000 0.59611369649466 0.62500000000000 112.411 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1395043 0.0000000 0.0544089 0.0000000 4.0922555 0.0000000 0.0544076 0.0000000 4.2964885 -------------------------- Born effective charges -------------------------- 1 O -1.6014331 -0.5761667 -0.3336738 -0.4535268 -1.9575659 -0.3379687 -0.2735788 -0.1950643 -1.8067336 2 O -1.6014331 0.5761667 -0.3336738 0.4535268 -1.9575659 0.3379687 -0.2735788 0.1950643 -1.8067336 3 O -1.6014331 -0.5761667 -0.3336738 -0.4535268 -1.9575659 -0.3379687 -0.2735788 -0.1950643 -1.8067336 4 O -1.6014331 0.5761667 -0.3336738 0.4535268 -1.9575659 0.3379687 -0.2735788 0.1950643 -1.8067336 5 O -1.6464281 0.0621733 0.4318885 0.0999032 -1.8825455 0.6219595 0.3608355 0.6892786 -2.5083730 6 O -1.6464281 -0.0621733 0.4318885 -0.0999032 -1.8825455 -0.6219595 0.3608355 -0.6892786 -2.5083730 7 O -1.6464281 0.0621733 0.4318885 0.0999032 -1.8825455 0.6219595 0.3608355 0.6892786 -2.5083730 8 O -1.6464281 -0.0621733 0.4318885 -0.0999032 -1.8825455 -0.6219595 0.3608355 -0.6892786 -2.5083730 9 O -2.4881541 -0.0249500 -0.2827016 0.1118280 -1.6992553 0.0452395 -0.3112700 -0.0130641 -1.6829900 10 O -2.4881541 0.0249500 -0.2827016 -0.1118280 -1.6992553 -0.0452395 -0.3112700 0.0130641 -1.6829900 11 O -2.4881541 -0.0249500 -0.2827016 0.1118280 -1.6992553 0.0452395 -0.3112700 -0.0130641 -1.6829900 12 O -2.4881541 0.0249500 -0.2827016 -0.1118280 -1.6992553 -0.0452395 -0.3112700 0.0130641 -1.6829900 13 Ge 3.3211500 -0.3358188 0.1307393 0.2290110 3.0017600 -0.1969045 0.1696533 -0.0197113 3.5374791 14 Ge 3.3211500 0.3358188 0.1307393 -0.2290110 3.0017600 0.1969045 0.1696533 0.0197113 3.5374791 15 Ge 3.3211500 -0.3358188 0.1307393 0.2290110 3.0017600 -0.1969045 0.1696533 -0.0197113 3.5374791 16 Ge 3.3211500 0.3358188 0.1307393 -0.2290110 3.0017600 0.1969045 0.1696533 0.0197113 3.5374791 17 Cd 2.4554594 0.0000000 -0.0108524 0.0000000 2.3788397 0.0000000 0.0585682 0.0000000 2.5573991 18 Cd 2.4554594 0.0000000 -0.0108524 0.0000000 2.3788397 0.0000000 0.0585682 0.0000000 2.5573991 19 Cd 2.3742714 0.0000000 0.1183479 0.0000000 2.6963739 0.0000000 0.0501519 0.0000000 2.3638360 20 Cd 2.3742714 0.0000000 0.1183479 0.0000000 2.6963739 0.0000000 0.0501519 0.0000000 2.3638360 ---------------------------------------------------------------------------- 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Computing fc3[ 69, 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] [-0.0021 0.0000 0.0098] [ 0.0021 0.0000 -0.0098] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000007 (yyy) -0.00000007 (yyy) -0.00000007 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (yz) -0.00000005 (yz) 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 19:18:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:18:53]------------------------- 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): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.102514195403129 -4.846537515000001 0.000000000000000 b 5.102514195403129 4.846537515000001 0.000000000000000 c -1.129686433739060 0.000000000000000 5.277239920884601 Atomic positions (fractional): 1 O 0.14169041988800 0.60883985340715 0.87106566730870 15.999 2 O 0.39116014659285 0.85830958011200 0.62893433269130 15.999 3 O 0.85830958011200 0.39116014659285 0.12893433269130 15.999 4 O 0.60883985340715 0.14169041988800 0.37106566730870 15.999 5 O 0.40831213156830 0.29935167317123 0.93481735384430 15.999 6 O 0.70064832682877 0.59168786843170 0.56518264615570 15.999 7 O 0.59168786843170 0.70064832682877 0.06518264615570 15.999 8 O 0.29935167317123 0.40831213156830 0.43481735384430 15.999 9 O 0.97225591140347 0.78603945043616 0.34718983806835 15.999 10 O 0.21396054956384 0.02774408859653 0.15281016193165 15.999 11 O 0.02774408859653 0.21396054956384 0.65281016193165 15.999 12 O 0.78603945043616 0.97225591140347 0.84718983806835 15.999 13 Ge 0.61486409667026 0.79369366992951 0.77598652025120 72.640 14 Ge 0.20630633007049 0.38513590332974 0.72401347974880 72.640 15 Ge 0.38513590332974 0.20630633007049 0.22401347974880 72.640 16 Ge 0.79369366992951 0.61486409667026 0.27598652025120 72.640 17 Cd 0.71133797058257 0.28866202941743 0.75000000000000 112.411 18 Cd 0.28866202941743 0.71133797058257 0.25000000000000 112.411 19 Cd 0.09611369649466 0.90388630350534 0.75000000000000 112.411 20 Cd 0.90388630350534 0.09611369649466 0.25000000000000 112.411 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.205028390806259 0.000000000000000 0.000000000000000 b 0.000000000000000 9.693075030000001 0.000000000000000 c -2.259372867478120 0.000000000000000 10.554479841769203 Atomic positions (fractional): 1 O 0.87526513664757 0.73357471675958 0.43553283365435 15.999 > 1 2 O 0.87526513664757 0.73357471675958 0.93553283365435 15.999 > 1 3 O 0.12473486335243 0.73357471675958 0.31446716634565 15.999 > 3 4 O 0.12473486335243 0.73357471675958 0.81446716634565 15.999 > 3 5 O 0.12473486335243 0.26642528324042 0.06446716634565 15.999 > 5 6 O 0.12473486335243 0.26642528324042 0.56446716634565 15.999 > 5 7 O 0.87526513664757 0.26642528324042 0.18553283365435 15.999 > 7 8 O 0.87526513664757 0.26642528324042 0.68553283365435 15.999 > 7 9 O 0.85383190236976 0.44551977080146 0.46740867692215 15.999 > 9 10 O 0.85383190236976 0.44551977080146 0.96740867692215 15.999 > 9 11 O 0.14616809763024 0.44551977080146 0.28259132307785 15.999 > 11 12 O 0.14616809763024 0.44551977080146 0.78259132307785 15.999 > 11 13 O 0.14616809763024 0.55448022919854 0.03259132307785 15.999 > 13 14 O 0.14616809763024 0.55448022919854 0.53259132307785 15.999 > 13 15 O 0.85383190236976 0.55448022919854 0.21740867692215 15.999 > 15 16 O 0.85383190236976 0.55448022919854 0.71740867692215 15.999 > 15 17 O 0.37914768091981 0.40689176951635 0.17359491903418 15.999 > 17 18 O 0.37914768091981 0.40689176951635 0.67359491903418 15.999 > 17 19 O 0.62085231908019 0.40689176951635 0.07640508096582 15.999 > 19 20 O 0.62085231908019 0.40689176951635 0.57640508096582 15.999 > 19 21 O 0.62085231908019 0.59310823048365 0.32640508096582 15.999 > 21 22 O 0.62085231908019 0.59310823048365 0.82640508096582 15.999 > 21 23 O 0.37914768091981 0.59310823048365 0.42359491903418 15.999 > 23 24 O 0.37914768091981 0.59310823048365 0.92359491903418 15.999 > 23 25 O 0.37526513664757 0.23357471675958 0.43553283365435 15.999 > 1 26 O 0.37526513664757 0.23357471675958 0.93553283365435 15.999 > 1 27 O 0.62473486335243 0.23357471675958 0.31446716634565 15.999 > 3 28 O 0.62473486335243 0.23357471675958 0.81446716634565 15.999 > 3 29 O 0.62473486335243 0.76642528324042 0.06446716634565 15.999 > 5 30 O 0.62473486335243 0.76642528324042 0.56446716634565 15.999 > 5 31 O 0.37526513664757 0.76642528324042 0.18553283365435 15.999 > 7 32 O 0.37526513664757 0.76642528324042 0.68553283365435 15.999 > 7 33 O 0.35383190236976 0.94551977080146 0.46740867692215 15.999 > 9 34 O 0.35383190236976 0.94551977080146 0.96740867692215 15.999 > 9 35 O 0.64616809763024 0.94551977080146 0.28259132307785 15.999 > 11 36 O 0.64616809763024 0.94551977080146 0.78259132307785 15.999 > 11 37 O 0.64616809763024 0.05448022919854 0.03259132307785 15.999 > 13 38 O 0.64616809763024 0.05448022919854 0.53259132307785 15.999 > 13 39 O 0.35383190236976 0.05448022919854 0.21740867692215 15.999 > 15 40 O 0.35383190236976 0.05448022919854 0.71740867692215 15.999 > 15 41 O 0.87914768091981 0.90689176951635 0.17359491903418 15.999 > 17 42 O 0.87914768091981 0.90689176951635 0.67359491903418 15.999 > 17 43 O 0.12085231908019 0.90689176951635 0.07640508096582 15.999 > 19 44 O 0.12085231908019 0.90689176951635 0.57640508096582 15.999 > 19 45 O 0.12085231908019 0.09310823048365 0.32640508096582 15.999 > 21 46 O 0.12085231908019 0.09310823048365 0.82640508096582 15.999 > 21 47 O 0.87914768091981 0.09310823048365 0.42359491903418 15.999 > 23 48 O 0.87914768091981 0.09310823048365 0.92359491903418 15.999 > 23 49 Ge 0.20427888329988 0.58941478662962 0.38799326012560 72.640 > 49 50 Ge 0.20427888329988 0.58941478662962 0.88799326012560 72.640 > 49 51 Ge 0.79572111670012 0.58941478662962 0.36200673987440 72.640 > 51 52 Ge 0.79572111670012 0.58941478662962 0.86200673987440 72.640 > 51 53 Ge 0.79572111670012 0.41058521337038 0.11200673987440 72.640 > 53 54 Ge 0.79572111670012 0.41058521337038 0.61200673987440 72.640 > 53 55 Ge 0.20427888329988 0.41058521337038 0.13799326012560 72.640 > 55 56 Ge 0.20427888329988 0.41058521337038 0.63799326012560 72.640 > 55 57 Ge 0.70427888329988 0.08941478662962 0.38799326012560 72.640 > 49 58 Ge 0.70427888329988 0.08941478662962 0.88799326012560 72.640 > 49 59 Ge 0.29572111670012 0.08941478662962 0.36200673987440 72.640 > 51 60 Ge 0.29572111670012 0.08941478662962 0.86200673987440 72.640 > 51 61 Ge 0.29572111670012 0.91058521337038 0.11200673987440 72.640 > 53 62 Ge 0.29572111670012 0.91058521337038 0.61200673987440 72.640 > 53 63 Ge 0.70427888329988 0.91058521337038 0.13799326012560 72.640 > 55 64 Ge 0.70427888329988 0.91058521337038 0.63799326012560 72.640 > 55 65 Cd 0.00000000000000 0.28866202941743 0.37500000000000 112.411 > 65 66 Cd 0.00000000000000 0.28866202941743 0.87500000000000 112.411 > 65 67 Cd 0.00000000000000 0.71133797058257 0.12500000000000 112.411 > 67 68 Cd 0.00000000000000 0.71133797058257 0.62500000000000 112.411 > 67 69 Cd 0.00000000000000 0.90388630350534 0.37500000000000 112.411 > 69 70 Cd 0.00000000000000 0.90388630350534 0.87500000000000 112.411 > 69 71 Cd 0.00000000000000 0.09611369649466 0.12500000000000 112.411 > 71 72 Cd 0.00000000000000 0.09611369649466 0.62500000000000 112.411 > 71 73 Cd 0.50000000000000 0.78866202941743 0.37500000000000 112.411 > 65 74 Cd 0.50000000000000 0.78866202941743 0.87500000000000 112.411 > 65 75 Cd 0.50000000000000 0.21133797058257 0.12500000000000 112.411 > 67 76 Cd 0.50000000000000 0.21133797058257 0.62500000000000 112.411 > 67 77 Cd 0.50000000000000 0.40388630350534 0.37500000000000 112.411 > 69 78 Cd 0.50000000000000 0.40388630350534 0.87500000000000 112.411 > 69 79 Cd 0.50000000000000 0.59611369649466 0.12500000000000 112.411 > 71 80 Cd 0.50000000000000 0.59611369649466 0.62500000000000 112.411 > 71 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1395043 0.0000000 0.0544089 0.0000000 4.0922555 0.0000000 0.0544076 0.0000000 4.2964885 -------------------------- Born effective charges -------------------------- 1 O -1.6014331 -0.5761667 -0.3336738 -0.4535268 -1.9575659 -0.3379687 -0.2735788 -0.1950643 -1.8067336 2 O -1.6014331 0.5761667 -0.3336738 0.4535268 -1.9575659 0.3379687 -0.2735788 0.1950643 -1.8067336 3 O -1.6014331 -0.5761667 -0.3336738 -0.4535268 -1.9575659 -0.3379687 -0.2735788 -0.1950643 -1.8067336 4 O -1.6014331 0.5761667 -0.3336738 0.4535268 -1.9575659 0.3379687 -0.2735788 0.1950643 -1.8067336 5 O -1.6464281 0.0621733 0.4318885 0.0999032 -1.8825455 0.6219595 0.3608355 0.6892786 -2.5083730 6 O -1.6464281 -0.0621733 0.4318885 -0.0999032 -1.8825455 -0.6219595 0.3608355 -0.6892786 -2.5083730 7 O -1.6464281 0.0621733 0.4318885 0.0999032 -1.8825455 0.6219595 0.3608355 0.6892786 -2.5083730 8 O -1.6464281 -0.0621733 0.4318885 -0.0999032 -1.8825455 -0.6219595 0.3608355 -0.6892786 -2.5083730 9 O -2.4881541 -0.0249500 -0.2827016 0.1118280 -1.6992553 0.0452395 -0.3112700 -0.0130641 -1.6829900 10 O -2.4881541 0.0249500 -0.2827016 -0.1118280 -1.6992553 -0.0452395 -0.3112700 0.0130641 -1.6829900 11 O -2.4881541 -0.0249500 -0.2827016 0.1118280 -1.6992553 0.0452395 -0.3112700 -0.0130641 -1.6829900 12 O -2.4881541 0.0249500 -0.2827016 -0.1118280 -1.6992553 -0.0452395 -0.3112700 0.0130641 -1.6829900 13 Ge 3.3211500 -0.3358188 0.1307393 0.2290110 3.0017600 -0.1969045 0.1696533 -0.0197113 3.5374791 14 Ge 3.3211500 0.3358188 0.1307393 -0.2290110 3.0017600 0.1969045 0.1696533 0.0197113 3.5374791 15 Ge 3.3211500 -0.3358188 0.1307393 0.2290110 3.0017600 -0.1969045 0.1696533 -0.0197113 3.5374791 16 Ge 3.3211500 0.3358188 0.1307393 -0.2290110 3.0017600 0.1969045 0.1696533 0.0197113 3.5374791 17 Cd 2.4554594 0.0000000 -0.0108524 0.0000000 2.3788397 0.0000000 0.0585682 0.0000000 2.5573991 18 Cd 2.4554594 0.0000000 -0.0108524 0.0000000 2.3788397 0.0000000 0.0585682 0.0000000 2.5573991 19 Cd 2.3742714 0.0000000 0.1183479 0.0000000 2.6963739 0.0000000 0.0501519 0.0000000 2.3638360 20 Cd 2.3742714 0.0000000 0.1183479 0.0000000 2.6963739 0.0000000 0.0501519 0.0000000 2.3638360 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000007 (yyy) -0.00000007 (yyy) -0.00000007 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 309, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.122 ( 0.000 0.000 0.000) 0.000 4.665 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 6.605 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.152 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.658 ( 0.000 0.000 0.000) 0.000 9.159 ( 0.000 0.000 0.000) 0.000 9.612 ( 0.000 0.000 0.000) 0.000 9.823 ( 0.000 0.000 0.000) 0.000 10.068 ( 0.000 0.000 0.000) 0.000 10.514 ( 0.000 0.000 0.000) 0.000 10.781 ( 0.000 0.000 0.000) 0.000 11.035 ( 0.000 0.000 0.000) 0.000 11.525 ( 0.000 0.000 0.000) 0.000 12.038 ( 0.000 0.000 0.000) 0.000 12.187 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 0.000) 0.000 14.255 ( 0.000 0.000 0.000) 0.000 14.886 ( 0.000 0.000 0.000) 0.000 15.256 ( 0.000 0.000 0.000) 0.000 15.372 ( 0.000 0.000 0.000) 0.000 19.865 ( 0.000 0.000 0.000) 0.000 19.869 ( 0.000 0.000 0.000) 0.000 20.436 ( 0.000 0.000 0.000) 0.000 20.479 ( 0.000 0.000 0.000) 0.000 21.371 ( 0.000 0.000 0.000) 0.000 22.122 ( 0.000 0.000 0.000) 0.000 22.199 ( 0.000 0.000 0.000) 0.000 22.543 ( 0.000 0.000 0.000) 0.000 23.301 ( 0.000 0.000 0.000) 0.000 23.461 ( 0.000 0.000 0.000) 0.000 23.693 ( 0.000 0.000 0.000) 0.000 23.750 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 14.936 -14.376 3.332) 20.997 0.514 ( 13.057 -19.161 15.251) 27.753 1.068 ( 38.646 -30.569 14.065) 51.243 1.784 ( 2.180 -2.721 -0.735) 3.563 2.270 ( -1.461 1.150 -6.178) 6.452 2.368 ( -0.577 -1.241 0.702) 1.538 2.523 ( 6.120 -3.742 0.208) 7.177 2.755 ( -4.224 5.680 -2.999) 7.687 3.029 ( -7.288 2.645 4.759) 9.097 3.188 ( 2.407 2.230 -0.075) 3.282 3.304 ( -3.349 3.060 2.036) 4.972 3.449 ( 1.372 -1.960 -2.709) 3.615 3.491 ( 9.918 -0.876 -1.217) 10.031 3.759 ( -15.632 -19.380 -6.638) 25.768 4.094 ( -0.452 3.704 -3.106) 4.855 4.160 ( 2.237 -1.908 -5.253) 6.019 4.951 ( 9.766 15.673 -3.926) 18.879 5.102 ( 0.389 3.066 4.937) 5.825 5.714 ( 15.474 12.771 -8.219) 21.682 5.985 ( 1.206 1.422 0.223) 1.878 6.288 ( 2.119 8.550 -0.980) 8.863 6.555 ( -8.632 -1.906 1.178) 8.918 6.784 ( 7.560 3.233 -1.557) 8.368 6.902 ( 6.762 14.645 -2.460) 16.317 7.138 ( -1.324 -0.261 -4.700) 4.890 7.142 ( 2.518 -1.727 1.486) 3.396 7.352 ( 6.482 -0.182 -0.238) 6.489 7.710 ( -10.137 -1.401 0.917) 10.274 7.884 ( -0.423 -0.010 4.182) 4.204 8.183 ( 2.130 2.626 0.139) 3.384 8.496 ( -2.454 -3.109 2.667) 4.775 8.649 ( 1.315 1.253 -3.035) 3.537 9.171 ( 1.766 0.068 0.742) 1.917 9.630 ( 0.313 -1.336 0.678) 1.530 10.081 ( 0.389 -4.723 -10.832) 11.823 10.359 ( -15.138 -6.858 -9.615) 19.200 10.669 ( -9.028 -3.977 15.334) 18.233 10.796 ( -2.080 -7.778 2.494) 8.429 11.047 ( -4.420 -5.290 5.169) 8.616 11.665 ( -18.674 -7.597 -6.881) 21.303 12.131 ( 1.707 -9.464 -14.917) 17.749 12.299 ( -2.290 -2.111 18.945) 19.199 12.433 ( -15.688 -8.660 27.162) 32.540 12.930 ( 0.158 2.910 -2.720) 3.986 14.531 ( 20.207 18.742 -27.281) 38.779 14.920 ( 3.612 -0.809 -2.415) 4.420 15.242 ( -1.048 0.560 -0.585) 1.324 15.570 ( -7.778 -10.399 -8.357) 15.443 19.861 ( -0.245 0.039 -1.436) 1.457 19.871 ( 0.558 0.197 -1.178) 1.318 20.459 ( 1.368 -1.647 -0.749) 2.268 20.654 ( -13.454 -14.127 -2.659) 19.689 22.083 ( -0.396 4.519 -2.464) 5.163 22.166 ( 7.716 8.801 2.087) 11.889 22.290 ( 19.912 16.663 9.655) 27.701 22.894 ( 8.202 6.656 -1.827) 10.720 23.300 ( 0.434 0.366 -0.802) 0.983 23.510 ( 1.659 7.335 9.853) 12.395 23.674 ( 0.586 2.259 -1.863) 2.986 24.551 ( -5.134 -5.356 20.622) 21.916 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 14.549 -14.163 2.652) 20.477 1.019 ( 12.672 -18.868 14.225) 26.813 1.818 ( -2.131 -0.244 -1.140) 2.429 2.018 ( 29.441 -22.750 9.560) 38.415 2.214 ( 1.743 0.204 -5.253) 5.538 2.362 ( -3.216 2.290 -0.580) 3.991 2.480 ( -7.741 9.116 -5.232) 13.054 2.730 ( 8.777 -6.532 3.175) 11.392 2.997 ( -1.176 -1.905 6.667) 7.033 3.180 ( 1.482 1.871 -1.026) 2.598 3.226 ( -3.529 2.115 3.392) 5.332 3.458 ( -0.178 0.730 -6.245) 6.290 3.653 ( 11.000 -0.652 -1.253) 11.091 3.769 ( -13.496 -11.643 -2.590) 18.011 3.982 ( -3.027 6.408 -5.228) 8.807 4.249 ( 4.289 -5.058 -3.361) 7.435 4.830 ( 0.807 8.155 -4.054) 9.143 5.061 ( 0.666 4.974 4.623) 6.823 5.707 ( 2.819 4.041 0.402) 4.943 5.969 ( 0.943 3.770 -1.804) 4.285 6.189 ( 2.399 7.022 0.748) 7.458 6.444 ( -13.253 -3.404 -0.072) 13.683 6.726 ( 2.608 14.614 -1.563) 14.927 6.808 ( 0.434 1.120 -5.449) 5.580 7.108 ( -1.463 -0.670 -2.209) 2.733 7.220 ( 3.345 -2.500 0.113) 4.177 7.416 ( 4.498 2.343 0.218) 5.076 7.669 ( -6.179 -7.252 1.540) 9.651 7.916 ( 3.783 0.587 8.999) 9.780 8.155 ( 0.225 2.851 -0.022) 2.860 8.480 ( -4.822 -0.496 1.503) 5.076 8.659 ( 1.501 -1.099 -3.223) 3.721 9.214 ( 2.940 -0.876 1.303) 3.333 9.641 ( -0.961 -0.157 -0.846) 1.290 10.114 ( -2.326 -7.437 -18.663) 20.224 10.284 ( -0.171 1.808 4.109) 4.493 10.569 ( -5.883 3.341 2.252) 7.130 10.880 ( 0.063 -1.587 3.551) 3.890 11.111 ( -3.804 -6.942 13.406) 15.569 11.508 ( -6.713 0.728 -7.146) 9.832 12.213 ( 2.897 -2.143 -8.949) 9.647 12.362 ( -3.111 -4.238 4.011) 6.613 12.447 ( -7.236 -7.323 20.290) 22.752 12.863 ( 0.475 4.989 -4.673) 6.852 14.453 ( 5.803 8.382 -9.642) 14.032 14.974 ( 2.858 -0.777 -1.832) 3.483 15.215 ( -1.135 0.598 -0.580) 1.408 15.592 ( -2.309 -4.186 -2.931) 5.607 19.852 ( -0.353 0.133 -0.776) 0.863 19.872 ( 0.274 0.101 -0.520) 0.596 20.503 ( 1.116 -1.958 -1.766) 2.863 20.677 ( -3.807 -5.353 2.976) 7.212 21.989 ( -2.172 3.905 -2.558) 5.150 22.165 ( 3.802 3.286 0.162) 5.028 22.342 ( 6.829 4.690 4.289) 9.329 22.908 ( 3.649 2.352 -0.737) 4.404 23.299 ( 0.805 0.390 -1.296) 1.574 23.443 ( -2.918 2.871 4.696) 6.230 23.644 ( 0.847 2.210 -1.605) 2.859 24.626 ( 0.016 -3.112 8.559) 9.107 ======================= Grid point 3 (4/128) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 10.648 -9.764 1.873) 14.568 1.502 ( 11.165 -16.738 13.255) 24.094 1.695 ( -5.873 4.051 -4.282) 8.321 1.993 ( -12.532 15.133 -8.429) 21.380 2.188 ( 1.129 0.974 -1.759) 2.306 2.399 ( -0.623 -0.775 -0.065) 0.996 2.758 ( 19.074 -10.651 4.712) 22.349 2.951 ( 6.133 -5.860 3.498) 9.175 3.036 ( -0.121 -2.223 3.583) 4.218 3.139 ( -4.161 3.910 -0.021) 5.710 3.222 ( 2.982 -3.743 3.636) 6.010 3.374 ( -3.682 3.911 -4.836) 7.228 3.686 ( -5.269 -0.653 -6.190) 8.155 3.787 ( -3.311 -1.518 -3.995) 5.406 3.841 ( 2.605 3.805 2.819) 5.405 4.362 ( 1.574 -3.594 -1.208) 4.105 4.739 ( -0.155 2.651 -1.734) 3.172 5.020 ( 0.709 2.805 1.930) 3.478 5.686 ( -0.068 1.247 1.671) 2.086 5.885 ( -1.439 3.693 -2.339) 4.602 6.189 ( 5.480 2.463 4.808) 7.695 6.291 ( -11.003 -1.688 -4.405) 11.972 6.601 ( 2.325 5.679 -1.040) 6.224 6.767 ( -1.549 0.376 -2.317) 2.813 7.105 ( -0.198 -0.414 -0.110) 0.472 7.287 ( 1.543 -1.208 -0.248) 1.975 7.437 ( 1.559 0.560 0.603) 1.763 7.687 ( -2.232 -2.324 -0.290) 3.235 8.001 ( 2.705 -0.103 6.266) 6.825 8.137 ( 1.246 0.446 -0.058) 1.325 8.411 ( -3.353 0.630 -1.076) 3.577 8.683 ( 0.311 -0.825 -0.996) 1.330 9.271 ( 1.670 -1.017 0.927) 2.164 9.610 ( -1.113 0.836 -1.094) 1.770 10.147 ( -0.902 -6.967 -16.008) 17.482 10.265 ( 0.917 5.811 12.576) 13.884 10.480 ( -1.942 0.376 -1.929) 2.763 10.881 ( -0.966 0.321 1.606) 1.901 11.184 ( -0.867 -1.979 8.127) 8.409 11.428 ( -1.527 -0.136 -5.278) 5.497 12.238 ( 1.061 -0.186 -2.408) 2.638 12.362 ( -1.778 -0.803 1.827) 2.673 12.538 ( -2.080 -5.484 7.429) 9.465 12.784 ( 0.574 3.926 -3.696) 5.423 14.401 ( 1.376 2.629 -2.673) 3.994 15.005 ( 0.988 -0.264 -0.638) 1.206 15.195 ( -0.458 0.221 -0.213) 0.551 15.607 ( -0.535 -1.231 -0.795) 1.560 19.845 ( -0.146 0.071 -0.301) 0.342 19.872 ( 0.080 0.027 -0.136) 0.160 20.528 ( 0.204 -0.757 -0.939) 1.224 20.712 ( -0.435 -1.727 1.958) 2.647 21.914 ( -1.269 1.537 -1.154) 2.303 22.170 ( 1.367 0.998 -0.121) 1.697 22.368 ( 1.750 1.085 1.309) 2.440 22.919 ( 1.145 0.611 -0.216) 1.316 23.303 ( 0.634 0.119 -0.899) 1.106 23.389 ( -1.691 0.897 1.830) 2.648 23.626 ( 0.314 0.857 -0.586) 1.085 24.679 ( 0.349 -1.077 2.570) 2.809 ======================= Grid point 8 (5/128) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( 19.501 0.000 23.702) 30.693 0.712 ( 23.862 0.000 6.443) 24.717 1.539 ( 47.588 0.000 17.687) 50.769 1.830 ( 6.672 0.000 -1.283) 6.794 2.248 ( -0.843 -0.000 -8.056) 8.100 2.349 ( -0.994 -0.000 1.648) 1.925 2.571 ( 5.757 0.000 -3.671) 6.828 2.772 ( -1.290 -0.000 -0.882) 1.563 2.909 ( -10.787 -0.000 5.623) 12.164 3.242 ( 2.495 0.000 3.779) 4.529 3.305 ( -4.412 -0.000 -1.715) 4.733 3.384 ( -4.356 -0.000 -6.942) 8.196 3.411 ( -3.375 -0.000 1.399) 3.654 3.701 ( 12.425 0.000 -2.049) 12.592 4.070 ( -2.047 -0.000 -12.953) 13.114 4.194 ( 4.611 0.000 -0.112) 4.612 4.919 ( -10.889 -0.000 -1.325) 10.970 5.241 ( 4.401 0.000 1.245) 4.574 5.870 ( -3.592 -0.000 2.567) 4.415 6.070 ( 5.184 0.000 -11.805) 12.893 6.240 ( -12.143 -0.000 4.153) 12.833 6.431 ( -5.628 -0.000 -4.314) 7.091 6.810 ( -2.843 -0.000 3.550) 4.548 7.047 ( -5.282 -0.000 -11.578) 12.726 7.181 ( 4.257 0.000 1.277) 4.444 7.307 ( 7.310 0.000 -19.451) 20.779 7.473 ( -17.163 -0.000 -2.770) 17.385 7.493 ( 11.996 0.000 1.116) 12.048 7.934 ( 3.356 0.000 11.050) 11.548 8.205 ( -1.446 -0.000 -0.606) 1.568 8.475 ( -1.707 -0.000 6.599) 6.816 8.649 ( -0.764 -0.000 -5.366) 5.420 9.218 ( 4.108 0.000 -1.596) 4.407 9.641 ( -0.759 -0.000 7.610) 7.648 9.723 ( -3.548 -0.000 -6.633) 7.522 10.258 ( 2.555 0.000 21.997) 22.145 10.664 ( 6.583 0.000 10.435) 12.338 10.700 ( -4.028 -0.000 -4.449) 6.002 10.910 ( -5.871 -0.000 -5.352) 7.944 11.591 ( 3.299 0.000 -1.944) 3.829 12.063 ( 2.228 0.000 -1.454) 2.660 12.318 ( -2.267 -0.000 9.148) 9.424 12.343 ( -2.817 -0.000 17.675) 17.898 12.941 ( 0.045 0.000 -5.169) 5.169 14.684 ( -3.884 -0.000 -16.725) 17.170 14.997 ( 6.695 0.000 -13.350) 14.935 15.182 ( -3.675 -0.000 0.232) 3.682 15.469 ( 5.198 0.000 -0.281) 5.206 19.854 ( -0.555 -0.000 0.071) 0.560 19.877 ( 0.652 0.000 -2.127) 2.225 20.452 ( 2.263 0.000 0.975) 2.464 20.574 ( 4.035 0.000 5.772) 7.042 22.062 ( -2.942 -0.000 -5.145) 5.927 22.118 ( -6.102 -0.000 1.375) 6.255 22.536 ( -0.942 -0.000 0.524) 1.078 23.057 ( 3.399 0.000 -9.964) 10.528 23.297 ( 0.100 0.000 -1.684) 1.687 23.555 ( -7.884 -0.000 2.874) 8.392 23.691 ( -3.717 -0.000 -1.346) 3.953 24.585 ( 3.161 0.000 28.817) 28.990 ======================= Grid point 9 (6/128) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 23.683 -1.549 5.850) 24.444 1.093 ( 18.114 -8.279 20.552) 28.619 1.883 ( 5.718 6.395 -0.421) 8.589 2.143 ( 5.259 -0.855 -6.353) 8.291 2.346 ( -0.468 -0.547 1.357) 1.536 2.361 ( 28.309 -6.346 11.495) 31.206 2.527 ( -2.376 7.479 -5.774) 9.743 2.766 ( 6.890 -2.760 3.360) 8.147 2.903 ( -4.412 -7.985 5.612) 10.711 3.174 ( -5.596 2.515 -2.003) 6.454 3.262 ( 0.507 3.529 3.746) 5.172 3.336 ( -7.767 -5.425 -8.617) 12.807 3.455 ( -4.319 -8.990 3.089) 10.441 3.837 ( 10.231 3.295 -3.811) 11.404 4.001 ( 0.481 1.774 -10.776) 10.931 4.265 ( 4.504 -0.841 -1.052) 4.701 4.753 ( -11.506 -0.499 0.155) 11.518 5.250 ( 4.433 6.778 -1.456) 8.229 5.776 ( -4.305 4.723 4.269) 7.686 6.043 ( -1.021 3.653 -4.303) 5.736 6.095 ( -13.501 -4.204 3.305) 14.522 6.326 ( -3.470 3.406 -5.477) 7.324 6.768 ( -4.207 -0.085 -0.027) 4.207 6.890 ( -4.448 5.868 -9.240) 11.815 7.234 ( 7.868 8.033 -10.491) 15.379 7.262 ( 0.841 1.525 0.396) 1.786 7.291 ( -9.575 -5.800 3.164) 11.634 7.673 ( 11.617 -0.013 0.500) 11.628 8.035 ( 5.418 0.871 13.310) 14.397 8.156 ( -2.797 1.076 -2.281) 3.766 8.436 ( -3.637 2.301 5.669) 7.117 8.625 ( -1.802 -2.272 -4.764) 5.577 9.268 ( 4.595 0.767 -0.511) 4.687 9.639 ( -0.240 0.703 1.143) 1.363 9.812 ( -4.138 -14.674 -11.717) 19.228 10.363 ( 3.327 -0.133 14.818) 15.187 10.568 ( -3.663 5.772 -0.476) 6.853 10.812 ( -4.043 -3.340 -1.384) 5.424 10.930 ( 1.410 -11.946 9.271) 15.187 11.550 ( 1.961 7.643 -5.610) 9.682 12.174 ( 4.150 -7.872 -4.807) 10.114 12.310 ( -2.414 0.537 11.957) 12.210 12.375 ( -1.653 -2.058 11.232) 11.538 12.903 ( -0.016 2.457 -6.840) 7.268 14.533 ( -4.787 4.652 -7.458) 10.009 15.030 ( 4.676 1.561 -5.824) 7.630 15.155 ( -3.599 -2.467 -0.918) 4.459 15.557 ( 4.360 -1.559 -0.675) 4.679 19.847 ( -0.474 0.036 0.450) 0.655 19.877 ( 0.449 0.222 -1.336) 1.427 20.507 ( 2.822 -0.653 3.342) 4.423 20.664 ( 4.691 -1.032 4.350) 6.480 21.971 ( -4.393 1.994 -3.259) 5.822 22.058 ( -7.899 -4.155 -0.881) 8.969 22.494 ( -0.332 3.037 -0.340) 3.074 23.034 ( 3.878 5.069 -5.101) 8.170 23.299 ( 0.332 -0.560 -2.527) 2.610 23.438 ( -5.488 2.246 3.354) 6.812 23.631 ( -3.912 -0.428 -1.854) 4.350 24.701 ( 5.490 1.871 13.679) 14.858 ======================= Grid point 10 (7/128) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 20.946 -0.643 6.618) 21.976 1.545 ( 17.763 -11.319 14.859) 25.777 1.765 ( 0.804 12.718 -2.110) 12.917 2.037 ( -6.508 11.773 -10.469) 17.046 2.218 ( -2.316 5.986 1.101) 6.512 2.405 ( 1.905 0.017 0.546) 1.982 2.895 ( 1.123 0.671 0.525) 1.409 2.948 ( 11.645 -10.763 4.458) 16.472 2.974 ( -2.650 -5.532 2.181) 6.510 3.113 ( -3.652 -1.345 3.303) 5.104 3.203 ( -2.597 3.121 -0.240) 4.067 3.308 ( 2.544 -4.526 -1.824) 5.504 3.495 ( -5.890 -6.604 -0.691) 8.876 3.836 ( 3.701 6.617 -7.579) 10.720 4.005 ( 7.368 3.994 -0.588) 8.402 4.327 ( 0.798 -2.921 0.513) 3.072 4.651 ( -6.538 -2.810 0.560) 7.138 5.167 ( 2.145 8.682 -4.585) 10.050 5.678 ( -4.393 0.860 3.106) 5.448 5.899 ( -9.355 2.321 -0.999) 9.690 6.026 ( -6.430 -4.532 1.622) 8.032 6.268 ( 0.494 -0.410 -1.439) 1.575 6.677 ( -2.612 2.844 -7.303) 8.261 6.782 ( -0.203 2.638 1.144) 2.883 7.187 ( 4.644 4.548 -6.984) 9.541 7.258 ( -6.737 -6.307 4.302) 10.182 7.329 ( 1.640 -0.290 1.188) 2.046 7.789 ( 8.524 3.617 -0.209) 9.262 8.074 ( 0.612 3.135 2.372) 3.978 8.116 ( -2.543 0.694 0.500) 2.683 8.391 ( 0.105 -0.324 3.611) 3.627 8.639 ( -1.772 -3.476 0.007) 3.902 9.312 ( 3.372 1.410 -0.039) 3.655 9.617 ( -0.127 1.287 0.075) 1.296 9.943 ( 0.137 -12.375 -13.363) 18.214 10.420 ( 0.514 6.703 15.750) 17.125 10.454 ( -1.127 -0.114 -1.203) 1.653 10.789 ( -4.848 -4.442 -3.286) 7.351 11.148 ( 0.510 -8.138 16.111) 18.057 11.445 ( 2.805 5.890 -12.948) 14.499 12.288 ( 1.961 2.175 4.828) 5.647 12.333 ( 2.455 -4.480 -3.765) 6.346 12.442 ( -1.368 -6.109 11.755) 13.319 12.833 ( 0.055 3.943 -7.646) 8.604 14.397 ( -5.538 1.894 -1.678) 6.089 15.046 ( 2.898 1.990 -3.026) 4.638 15.145 ( -2.840 -2.768 -0.566) 4.006 15.624 ( 3.829 0.069 -0.103) 3.831 19.843 ( -0.173 -0.021 0.685) 0.707 19.876 ( 0.290 0.229 -0.749) 0.835 20.554 ( 2.149 0.902 5.110) 5.617 20.749 ( 5.566 0.748 1.043) 5.712 21.895 ( -2.735 0.126 -1.360) 3.057 21.998 ( -11.179 -6.244 -1.615) 12.905 22.446 ( -0.289 2.475 -1.812) 3.081 22.999 ( 3.120 4.896 -2.190) 6.205 23.302 ( -0.039 -0.214 -2.231) 2.242 23.374 ( -2.201 -0.008 1.785) 2.834 23.586 ( -3.893 -1.651 -1.388) 4.451 24.761 ( 4.950 3.959 6.025) 8.745 ======================= Grid point 11 (8/128) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 1.873 21.667 -0.400) 21.751 1.637 ( -6.234 20.757 -7.912) 23.072 1.815 ( 13.415 -0.488 5.222) 14.404 2.009 ( 16.730 -13.094 7.761) 22.618 2.160 ( -1.978 -0.014 3.524) 4.041 2.433 ( 1.566 0.743 1.317) 2.177 2.715 ( -12.954 13.666 -2.103) 18.947 2.876 ( -12.123 3.804 -6.185) 14.132 3.030 ( -4.517 1.360 -4.680) 6.645 3.115 ( -1.602 -2.753 2.410) 3.994 3.172 ( -1.230 -6.649 2.805) 7.321 3.364 ( 3.227 1.540 -5.190) 6.303 3.687 ( 3.979 -11.703 0.571) 12.374 3.720 ( -3.767 5.274 5.057) 8.221 4.065 ( 12.419 6.963 1.907) 14.365 4.377 ( -0.320 -1.185 -0.337) 1.273 4.618 ( -5.335 -2.630 3.401) 6.852 5.070 ( 1.950 4.164 -6.865) 8.262 5.645 ( -2.573 -1.328 -0.908) 3.034 5.812 ( -6.914 -6.530 5.032) 10.759 6.027 ( -2.967 -2.870 -1.870) 4.532 6.343 ( 3.044 -7.225 1.403) 7.965 6.619 ( 3.673 3.235 -5.387) 7.279 6.780 ( -0.395 -0.904 4.912) 5.010 7.178 ( 4.548 3.255 -4.871) 7.417 7.273 ( -5.033 -4.479 4.910) 8.337 7.321 ( -1.449 1.454 -0.120) 2.056 7.825 ( 5.343 3.809 -3.331) 7.359 7.978 ( -4.434 5.116 0.015) 6.770 8.078 ( -1.865 -1.904 -3.312) 4.251 8.459 ( 4.344 -1.137 3.428) 5.650 8.664 ( -1.464 -2.139 1.820) 3.167 9.292 ( -0.278 4.098 -1.613) 4.412 9.628 ( 2.059 -0.668 1.613) 2.700 10.093 ( 1.498 -10.167 -9.433) 13.950 10.328 ( 0.073 7.885 10.449) 13.090 10.492 ( 0.182 -2.203 6.320) 6.695 10.797 ( -2.542 -5.312 -5.686) 8.186 11.237 ( -0.238 2.960 11.698) 12.069 11.429 ( 3.933 -4.100 -12.269) 13.520 12.276 ( -0.448 2.522 7.820) 8.229 12.414 ( 6.648 0.030 -6.451) 9.263 12.566 ( 1.161 -5.449 5.800) 8.042 12.756 ( -0.159 2.427 -6.895) 7.311 14.313 ( -6.593 -1.681 2.284) 7.177 15.032 ( 1.227 2.770 -1.513) 3.386 15.156 ( -1.713 -3.081 -0.093) 3.526 15.666 ( 3.655 1.349 0.881) 3.994 19.847 ( 0.118 -0.158 1.025) 1.044 19.874 ( 0.158 0.212 -0.438) 0.512 20.565 ( 0.479 2.283 4.642) 5.195 20.809 ( 8.123 3.399 -0.497) 8.819 21.854 ( -10.212 -4.419 -3.745) 11.740 21.949 ( -5.781 -6.090 1.337) 8.503 22.397 ( -0.878 2.309 -2.787) 3.724 22.960 ( 1.641 4.542 -0.769) 4.891 23.289 ( -1.081 -0.078 -0.442) 1.171 23.383 ( 0.864 -1.765 -1.219) 2.313 23.566 ( -3.154 -2.840 -0.140) 4.246 24.760 ( 3.504 5.586 1.327) 6.726 ======================= Grid point 12 (9/128) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 1.291 25.222 -1.260) 25.286 1.197 ( -5.183 24.308 -4.361) 25.234 1.913 ( 3.545 6.045 0.825) 7.056 2.081 ( -16.284 31.845 -4.391) 36.036 2.236 ( 4.477 -2.362 7.958) 9.432 2.386 ( 6.780 -3.544 0.785) 7.691 2.508 ( 8.158 -5.995 1.529) 10.238 2.647 ( -10.668 2.845 -3.277) 11.517 2.942 ( -6.764 -3.315 -5.357) 9.243 3.136 ( -0.152 -0.137 0.193) 0.281 3.235 ( 0.680 -3.227 1.797) 3.755 3.400 ( 0.547 -2.762 -2.898) 4.040 3.539 ( -8.939 3.327 2.429) 9.843 3.905 ( 1.463 -8.231 2.830) 8.826 4.135 ( 11.629 8.034 2.207) 14.305 4.312 ( -1.578 6.306 0.368) 6.510 4.619 ( -5.496 -5.881 2.620) 8.465 5.075 ( 3.496 -0.582 -4.303) 5.575 5.609 ( -5.497 -1.192 0.745) 5.674 5.897 ( -0.303 -8.522 1.852) 8.726 6.008 ( -4.588 -3.383 -0.422) 5.716 6.555 ( 4.345 -11.885 -1.873) 12.792 6.638 ( 6.274 2.524 -1.887) 7.021 6.794 ( -2.141 -0.065 5.176) 5.601 7.183 ( 3.310 2.813 -1.760) 4.687 7.237 ( -1.911 4.078 2.370) 5.089 7.304 ( -2.980 -3.995 1.453) 5.191 7.758 ( -2.183 3.332 -8.830) 9.687 7.937 ( 4.002 1.909 5.526) 7.085 8.074 ( -2.754 -3.034 -3.875) 5.640 8.540 ( 3.797 -1.055 0.909) 4.045 8.657 ( -1.730 1.091 1.238) 2.391 9.208 ( -1.585 3.463 -1.447) 4.074 9.669 ( 1.476 0.341 1.235) 1.955 10.165 ( -1.535 -0.247 -3.453) 3.787 10.319 ( 3.191 -1.070 12.055) 12.516 10.572 ( 2.133 -4.769 1.455) 5.423 10.821 ( -1.771 -3.922 -6.067) 7.438 11.178 ( -0.083 5.333 -0.002) 5.334 11.572 ( 5.304 -8.353 -2.146) 10.125 12.252 ( -0.497 2.561 5.874) 6.428 12.464 ( 3.934 3.557 -2.107) 5.707 12.627 ( 8.445 3.634 -7.481) 11.853 12.773 ( -0.872 -6.740 0.389) 6.807 14.264 ( -8.031 -3.651 4.863) 10.073 14.991 ( -0.114 3.399 -0.361) 3.420 15.185 ( -0.624 -3.003 0.039) 3.067 15.697 ( 3.508 1.650 1.858) 4.299 19.856 ( 0.198 -0.267 1.141) 1.189 19.872 ( 0.047 0.196 -0.321) 0.378 20.528 ( -0.969 3.120 1.617) 3.646 20.912 ( 15.878 4.472 3.842) 16.937 21.686 ( -24.311 -7.758 -8.101) 26.774 22.012 ( 0.937 -4.312 2.028) 4.856 22.336 ( -0.996 3.079 -2.330) 3.988 22.907 ( 0.080 3.967 -0.206) 3.973 23.279 ( -0.805 -0.598 -0.102) 1.008 23.424 ( 1.004 -2.032 -2.097) 3.088 23.583 ( -1.436 -3.677 0.890) 4.046 24.709 ( 2.105 6.247 -1.473) 6.754 ======================= Grid point 13 (10/128) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -0.000 25.401 0.000) 25.401 0.778 ( -0.000 26.156 0.000) 26.156 1.336 ( -0.000 43.184 0.000) 43.184 1.843 ( -0.000 5.912 0.000) 5.912 2.316 ( -0.000 1.653 0.000) 1.653 2.396 ( -0.000 2.051 0.000) 2.051 2.506 ( -0.000 1.732 0.000) 1.732 2.739 ( 0.000 -5.220 -0.000) 5.220 2.957 ( 0.000 -8.634 -0.000) 8.634 3.139 ( 0.000 -1.100 -0.000) 1.100 3.300 ( 0.000 -3.292 -0.000) 3.292 3.414 ( -0.000 1.478 0.000) 1.478 3.439 ( 0.000 -0.805 -0.000) 0.805 4.018 ( 0.000 -5.675 -0.000) 5.675 4.143 ( -0.000 5.143 0.000) 5.143 4.209 ( -0.000 6.026 0.000) 6.026 4.625 ( 0.000 -2.713 -0.000) 2.713 5.108 ( 0.000 -0.500 -0.000) 0.500 5.554 ( -0.000 1.213 0.000) 1.213 5.973 ( 0.000 -0.575 -0.000) 0.575 6.081 ( 0.000 -12.227 -0.000) 12.227 6.645 ( -0.000 1.171 0.000) 1.171 6.746 ( -0.000 3.786 0.000) 3.786 6.771 ( 0.000 -9.551 -0.000) 9.551 7.155 ( -0.000 2.998 0.000) 2.998 7.176 ( -0.000 2.381 0.000) 2.381 7.317 ( -0.000 0.048 0.000) 0.048 7.726 ( 0.000 -2.716 -0.000) 2.716 7.952 ( -0.000 4.016 0.000) 4.016 8.096 ( 0.000 -5.094 -0.000) 5.094 8.585 ( -0.000 5.050 0.000) 5.050 8.607 ( 0.000 -2.566 -0.000) 2.566 9.162 ( -0.000 0.907 0.000) 0.907 9.658 ( -0.000 2.176 0.000) 2.176 10.114 ( -0.000 2.957 0.000) 2.957 10.431 ( 0.000 -5.027 -0.000) 5.027 10.676 ( 0.000 -5.589 -0.000) 5.589 10.838 ( 0.000 -1.953 -0.000) 1.953 11.101 ( -0.000 4.330 0.000) 4.330 11.773 ( 0.000 -11.129 -0.000) 11.129 12.223 ( -0.000 2.161 0.000) 2.161 12.391 ( -0.000 7.873 0.000) 7.873 12.700 ( 0.000 -0.901 -0.000) 0.901 12.867 ( 0.000 -5.801 -0.000) 5.801 14.229 ( 0.000 -1.562 -0.000) 1.562 14.937 ( -0.000 3.178 0.000) 3.178 15.222 ( 0.000 -2.291 -0.000) 2.291 15.719 ( -0.000 0.529 0.000) 0.529 19.864 ( 0.000 -0.292 -0.000) 0.292 19.868 ( -0.000 0.182 0.000) 0.182 20.476 ( -0.000 2.640 0.000) 2.640 21.163 ( 0.000 -1.858 -0.000) 1.858 21.374 ( -0.000 0.367 0.000) 0.367 22.080 ( 0.000 -2.921 -0.000) 2.921 22.273 ( -0.000 3.788 0.000) 3.788 22.853 ( -0.000 2.693 0.000) 2.693 23.284 ( 0.000 -0.855 -0.000) 0.855 23.448 ( 0.000 -1.032 -0.000) 1.032 23.633 ( 0.000 -3.603 -0.000) 3.603 24.637 ( -0.000 5.069 0.000) 5.069 ======================= Grid point 16 (11/128) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( 18.533 0.000 20.093) 27.335 1.396 ( 21.812 0.000 6.320) 22.709 2.084 ( 10.342 0.000 0.439) 10.351 2.135 ( -0.511 -0.000 -10.984) 10.996 2.343 ( 0.565 0.000 2.351) 2.418 2.566 ( -0.283 -0.000 -8.704) 8.709 2.703 ( -6.749 -0.000 6.954) 9.691 2.736 ( 16.622 0.000 12.042) 20.525 2.914 ( 9.968 0.000 5.298) 11.289 3.082 ( -9.451 -0.000 -3.914) 10.229 3.150 ( -3.113 -0.000 -7.712) 8.317 3.323 ( -3.822 -0.000 3.118) 4.933 3.376 ( 4.994 0.000 6.272) 8.017 3.998 ( 4.952 0.000 -12.899) 13.817 4.003 ( 9.221 0.000 -2.904) 9.667 4.322 ( 3.499 0.000 -0.142) 3.502 4.582 ( -11.004 -0.000 1.926) 11.171 5.321 ( -0.152 -0.000 -4.151) 4.153 5.749 ( -7.505 -0.000 4.424) 8.711 5.796 ( -17.848 -0.000 6.579) 19.021 6.096 ( 1.268 0.000 -7.555) 7.660 6.262 ( -5.651 -0.000 -10.433) 11.865 6.691 ( -5.821 -0.000 0.175) 5.823 6.861 ( -2.254 -0.000 -4.024) 4.612 7.039 ( -11.451 -0.000 8.824) 14.456 7.326 ( 4.975 0.000 0.249) 4.981 7.384 ( 3.226 0.000 -13.722) 14.096 7.831 ( 10.085 0.000 -1.865) 10.256 8.122 ( -1.248 -0.000 -5.332) 5.477 8.168 ( 6.434 0.000 12.249) 13.836 8.454 ( -3.682 -0.000 10.295) 10.934 8.527 ( -4.237 -0.000 -4.121) 5.910 9.347 ( 5.672 0.000 -3.317) 6.570 9.638 ( 0.305 0.000 -4.634) 4.644 9.656 ( -0.797 -0.000 4.913) 4.977 10.423 ( 0.259 0.000 7.804) 7.808 10.587 ( -1.120 -0.000 0.565) 1.255 10.702 ( -4.974 -0.000 -5.174) 7.178 10.944 ( 7.159 0.000 10.006) 12.303 11.619 ( -0.120 -0.000 -4.345) 4.347 12.151 ( 3.605 0.000 1.600) 3.944 12.334 ( -1.183 -0.000 12.536) 12.592 12.380 ( 1.723 0.000 1.682) 2.408 12.896 ( -0.333 -0.000 -7.680) 7.687 14.446 ( -8.388 -0.000 -3.841) 9.226 15.084 ( -3.193 -0.000 0.204) 3.200 15.086 ( 3.711 0.000 -5.689) 6.793 15.622 ( 5.437 0.000 -0.233) 5.442 19.843 ( -0.302 -0.000 0.819) 0.873 19.881 ( 0.336 0.000 -1.180) 1.227 20.570 ( 3.380 0.000 7.511) 8.236 20.759 ( 7.846 0.000 2.053) 8.110 21.888 ( -9.952 -0.000 0.812) 9.985 21.911 ( -5.540 -0.000 -4.783) 7.319 22.478 ( -2.883 -0.000 -2.099) 3.566 23.097 ( 2.535 0.000 -5.402) 5.967 23.289 ( 0.302 0.000 -2.594) 2.611 23.384 ( -4.776 -0.000 2.105) 5.219 23.553 ( -4.867 -0.000 -1.334) 5.047 24.841 ( 5.837 0.000 9.875) 11.471 ======================= Grid point 17 (12/128) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 14.465 -3.469 14.881) 21.040 1.734 ( 19.836 -4.008 4.724) 20.781 2.039 ( 4.038 10.581 -2.831) 11.674 2.108 ( 3.009 10.443 -4.669) 11.829 2.306 ( -1.716 8.058 -0.249) 8.243 2.467 ( 2.232 4.387 3.080) 5.807 2.754 ( -6.440 -9.585 0.659) 11.567 2.855 ( -9.814 -1.140 -4.995) 11.071 2.902 ( -0.364 -2.926 -1.029) 3.123 3.025 ( -2.573 -5.075 1.698) 5.938 3.227 ( -2.119 3.690 2.354) 4.863 3.285 ( -0.123 -8.962 0.481) 8.976 3.510 ( 12.665 3.344 4.359) 13.805 3.999 ( 5.029 9.368 -6.334) 12.376 4.132 ( 10.635 -1.847 -3.055) 11.218 4.328 ( -0.120 1.624 4.586) 4.867 4.526 ( -3.093 -5.329 0.056) 6.161 5.228 ( -5.244 4.213 -7.198) 9.852 5.605 ( -8.836 -1.726 6.433) 11.065 5.658 ( -12.653 -2.346 1.027) 12.910 6.047 ( 1.251 3.681 -3.406) 5.169 6.189 ( -3.968 -4.065 -10.144) 11.626 6.637 ( -2.735 -1.070 2.664) 3.965 6.802 ( -1.282 2.321 0.026) 2.652 7.030 ( -4.648 -7.409 9.281) 12.753 7.324 ( 1.277 3.859 -11.224) 11.938 7.386 ( 2.624 1.008 0.283) 2.825 7.927 ( 5.535 1.154 -4.522) 7.240 8.074 ( 0.570 3.267 -5.684) 6.580 8.198 ( -1.326 7.593 5.530) 9.486 8.427 ( 2.563 -0.767 7.503) 7.965 8.542 ( -2.476 -5.013 3.178) 6.432 9.393 ( 4.179 2.195 -1.708) 5.020 9.632 ( -0.408 0.814 0.570) 1.074 9.748 ( 1.210 -10.625 -3.356) 11.208 10.431 ( -0.455 -0.828 -1.211) 1.536 10.550 ( -0.909 5.027 9.853) 11.099 10.655 ( -3.181 -3.385 -4.911) 6.760 11.111 ( 4.535 -5.768 9.375) 11.905 11.539 ( -0.390 6.545 -6.169) 9.003 12.260 ( 0.862 -6.636 3.872) 7.731 12.355 ( 1.199 0.129 8.382) 8.469 12.428 ( 3.654 -0.911 -1.030) 3.905 12.853 ( -0.335 2.088 -7.239) 7.542 14.313 ( -7.890 0.811 -0.799) 7.972 15.063 ( -2.440 -2.330 0.198) 3.379 15.104 ( 2.451 1.512 -3.470) 4.509 15.689 ( 4.274 0.350 -0.066) 4.289 19.844 ( -0.014 -0.056 0.823) 0.825 19.881 ( 0.224 0.149 -0.750) 0.797 20.623 ( 1.893 1.242 7.493) 7.828 20.879 ( 9.647 1.308 0.178) 9.737 21.766 ( -11.089 -1.491 -1.932) 11.355 21.828 ( -4.698 -2.119 -0.727) 5.205 22.426 ( -2.855 0.152 -3.152) 4.256 23.091 ( 2.063 3.032 -3.118) 4.814 23.288 ( -0.151 -0.209 -2.247) 2.262 23.342 ( -2.072 -0.720 1.299) 2.550 23.498 ( -3.912 -1.404 -0.796) 4.232 24.911 ( 4.539 3.452 5.230) 7.738 ======================= Grid point 18 (13/128) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.308 13.212 -1.578) 13.310 1.858 ( -0.257 21.209 -4.909) 21.771 2.046 ( 15.601 -0.934 8.755) 17.913 2.138 ( 15.205 -4.841 6.360) 17.178 2.177 ( -0.808 4.886 1.686) 5.232 2.470 ( 1.233 1.671 2.382) 3.160 2.631 ( -12.571 0.291 -5.932) 13.904 2.761 ( -7.839 -2.143 -1.125) 8.204 2.967 ( -6.908 8.248 -2.334) 11.009 3.011 ( -2.954 -7.116 -0.439) 7.717 3.119 ( 1.486 -0.088 0.782) 1.682 3.402 ( -0.183 -4.380 -0.595) 4.424 3.645 ( 7.510 -2.351 -1.815) 8.076 3.801 ( -4.470 12.911 1.812) 13.783 4.312 ( 9.461 2.920 5.579) 11.365 4.345 ( 2.621 -1.752 -2.335) 3.923 4.568 ( -1.049 -1.471 1.508) 2.353 5.078 ( -3.807 1.252 -7.157) 8.203 5.539 ( -8.469 -3.257 0.048) 9.074 5.622 ( -2.002 -7.207 4.692) 8.830 6.023 ( 0.616 2.443 -1.658) 3.016 6.221 ( -0.920 -9.733 -5.190) 11.068 6.658 ( 0.847 -1.633 1.821) 2.588 6.782 ( 0.205 0.184 3.292) 3.303 7.117 ( -1.634 -6.509 4.646) 8.162 7.266 ( 0.418 1.311 -6.576) 6.718 7.375 ( 0.582 3.798 0.497) 3.874 7.907 ( 0.868 5.085 -8.301) 9.773 7.998 ( -2.577 4.725 3.761) 6.566 8.089 ( 0.959 4.198 0.006) 4.306 8.517 ( 4.064 -0.782 2.418) 4.793 8.594 ( -1.965 -4.770 2.930) 5.933 9.366 ( 0.606 5.712 -1.222) 5.873 9.642 ( 1.126 -1.395 1.050) 2.078 9.927 ( 1.170 -11.869 -3.931) 12.558 10.443 ( 2.402 -0.369 -7.453) 7.839 10.479 ( -3.362 4.549 15.639) 16.630 10.676 ( -1.285 -5.025 -3.634) 6.333 11.275 ( 1.685 -5.795 12.194) 13.605 11.414 ( 0.202 5.570 -11.915) 13.154 12.309 ( -0.885 0.258 4.614) 4.706 12.469 ( 3.230 -7.224 1.023) 7.979 12.495 ( 2.763 -2.069 0.751) 3.532 12.788 ( -0.011 3.585 -5.412) 6.492 14.214 ( -5.315 -0.234 0.859) 5.389 15.081 ( -1.315 -3.570 0.080) 3.805 15.090 ( 1.159 2.827 -1.490) 3.399 15.729 ( 2.547 0.717 0.250) 2.658 19.849 ( 0.127 -0.189 0.654) 0.693 19.878 ( 0.115 0.221 -0.367) 0.444 20.625 ( 0.343 2.937 3.823) 4.833 20.996 ( 10.728 1.781 1.127) 10.933 21.588 ( -13.649 0.299 -4.087) 14.251 21.858 ( -0.859 -5.887 1.636) 6.170 22.380 ( -1.923 0.299 -2.472) 3.146 23.052 ( 1.239 4.615 -1.031) 4.888 23.274 ( -0.758 0.204 -0.614) 0.996 23.356 ( 0.131 -2.313 -0.425) 2.355 23.483 ( -2.151 -2.657 -0.114) 3.421 24.900 ( 2.500 5.882 1.773) 6.633 ======================= Grid point 19 (14/128) ======================= q-point: (-0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -0.000 23.660 0.000) 23.660 1.508 ( -0.000 22.891 0.000) 22.891 2.050 ( -0.000 7.933 0.000) 7.933 2.272 ( 0.000 -3.952 -0.000) 3.952 2.383 ( -0.000 1.450 0.000) 1.450 2.422 ( -0.000 8.710 0.000) 8.710 2.455 ( -0.000 1.720 0.000) 1.720 2.633 ( -0.000 8.539 0.000) 8.539 2.773 ( 0.000 -4.805 -0.000) 4.805 3.134 ( 0.000 -8.388 -0.000) 8.388 3.143 ( 0.000 -0.569 -0.000) 0.569 3.427 ( -0.000 0.662 0.000) 0.662 3.563 ( -0.000 10.597 0.000) 10.597 3.793 ( 0.000 -8.422 -0.000) 8.422 4.335 ( -0.000 0.982 0.000) 0.982 4.349 ( -0.000 7.085 0.000) 7.085 4.557 ( 0.000 -0.411 -0.000) 0.411 5.068 ( 0.000 -2.231 -0.000) 2.231 5.532 ( 0.000 -3.278 -0.000) 3.278 5.745 ( 0.000 -9.754 -0.000) 9.754 5.985 ( -0.000 1.811 0.000) 1.811 6.395 ( 0.000 -13.295 -0.000) 13.295 6.689 ( 0.000 -0.426 -0.000) 0.426 6.792 ( -0.000 0.138 0.000) 0.138 7.206 ( 0.000 -6.382 -0.000) 6.382 7.242 ( -0.000 2.185 0.000) 2.185 7.306 ( -0.000 5.364 0.000) 5.364 7.794 ( -0.000 6.529 0.000) 6.529 7.962 ( 0.000 -1.429 -0.000) 1.429 8.054 ( -0.000 2.663 0.000) 2.663 8.557 ( 0.000 -0.479 -0.000) 0.479 8.641 ( 0.000 -2.358 -0.000) 2.358 9.268 ( -0.000 6.313 0.000) 6.313 9.679 ( 0.000 -1.166 -0.000) 1.166 10.085 ( 0.000 -8.542 -0.000) 8.542 10.387 ( -0.000 5.230 0.000) 5.230 10.508 ( 0.000 -4.979 -0.000) 4.979 10.734 ( 0.000 -4.714 -0.000) 4.714 11.276 ( -0.000 7.299 0.000) 7.299 11.449 ( 0.000 -10.212 -0.000) 10.212 12.292 ( -0.000 1.995 0.000) 1.995 12.528 ( -0.000 0.728 0.000) 0.728 12.630 ( 0.000 -9.708 -0.000) 9.708 12.726 ( -0.000 3.332 0.000) 3.332 14.185 ( 0.000 -1.058 -0.000) 1.058 15.046 ( -0.000 3.732 0.000) 3.732 15.128 ( 0.000 -3.819 -0.000) 3.819 15.738 ( -0.000 0.712 0.000) 0.712 19.855 ( 0.000 -0.304 -0.000) 0.304 19.875 ( -0.000 0.260 0.000) 0.260 20.578 ( -0.000 3.877 0.000) 3.877 21.114 ( 0.000 -1.247 -0.000) 1.247 21.410 ( -0.000 2.446 0.000) 2.446 21.949 ( 0.000 -5.833 -0.000) 5.833 22.352 ( -0.000 1.199 0.000) 1.199 22.983 ( -0.000 5.456 0.000) 5.456 23.267 ( 0.000 -0.186 -0.000) 0.186 23.395 ( 0.000 -2.454 -0.000) 2.454 23.516 ( 0.000 -3.744 -0.000) 3.744 24.824 ( -0.000 6.919 0.000) 6.919 ======================= Grid point 24 (15/128) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 4.909 0.000 4.964) 6.982 1.965 ( 15.027 0.000 3.850) 15.512 2.165 ( 10.060 0.000 2.381) 10.338 2.240 ( -0.197 -0.000 1.811) 1.821 2.470 ( 4.400 0.000 -0.253) 4.407 2.497 ( -1.096 -0.000 -2.387) 2.627 2.581 ( -4.235 -0.000 1.959) 4.666 2.650 ( -13.307 -0.000 -8.418) 15.746 2.826 ( -4.952 -0.000 0.030) 4.952 3.013 ( 4.263 0.000 3.753) 5.679 3.175 ( -2.532 -0.000 -0.947) 2.703 3.236 ( -2.756 -0.000 0.830) 2.878 3.689 ( 5.930 0.000 1.553) 6.130 4.150 ( 2.791 0.000 -3.529) 4.500 4.282 ( 12.763 0.000 -3.342) 13.193 4.360 ( -0.460 -0.000 0.953) 1.058 4.450 ( 2.146 0.000 8.074) 8.355 5.114 ( -10.215 -0.000 -8.032) 12.994 5.456 ( -7.391 -0.000 4.454) 8.629 5.541 ( -5.933 -0.000 1.006) 6.018 6.045 ( -3.285 -0.000 -8.876) 9.465 6.096 ( 0.834 0.000 -2.349) 2.493 6.605 ( -1.455 -0.000 4.724) 4.943 6.803 ( -1.044 -0.000 -2.704) 2.899 6.989 ( 1.164 0.000 14.156) 14.204 7.277 ( -4.010 -0.000 -12.455) 13.085 7.431 ( 2.036 0.000 -0.089) 2.038 7.966 ( 1.525 0.000 -3.482) 3.801 8.131 ( 3.335 0.000 -6.210) 7.049 8.276 ( -0.349 -0.000 0.415) 0.542 8.396 ( -3.612 -0.000 7.412) 8.245 8.540 ( 2.926 0.000 5.283) 6.039 9.461 ( 3.120 0.000 -2.551) 4.030 9.653 ( 1.115 0.000 -1.329) 1.735 9.655 ( -0.927 -0.000 2.899) 3.044 10.419 ( 0.486 0.000 -2.556) 2.601 10.578 ( -1.732 -0.000 -3.054) 3.511 10.596 ( -1.276 -0.000 5.511) 5.657 11.154 ( 3.474 0.000 5.582) 6.575 11.562 ( -1.362 -0.000 -3.126) 3.410 12.226 ( 0.349 0.000 3.087) 3.107 12.381 ( -0.116 -0.000 6.495) 6.496 12.477 ( 4.312 0.000 -3.304) 5.432 12.845 ( -0.305 -0.000 -4.476) 4.487 14.219 ( -5.438 -0.000 -0.101) 5.439 15.018 ( -1.314 -0.000 0.082) 1.316 15.135 ( 1.308 0.000 -1.768) 2.199 15.740 ( 2.478 0.000 -0.082) 2.480 19.846 ( 0.089 0.000 0.508) 0.516 19.882 ( 0.106 0.000 -0.419) 0.432 20.673 ( 0.866 0.000 4.899) 4.975 21.023 ( 8.412 0.000 -0.148) 8.413 21.653 ( -5.336 -0.000 -0.017) 5.336 21.711 ( -6.227 -0.000 -1.112) 6.326 22.380 ( -2.009 -0.000 -2.539) 3.238 23.125 ( 0.962 0.000 -1.961) 2.184 23.283 ( 0.168 0.000 -1.577) 1.585 23.312 ( -1.302 -0.000 0.889) 1.576 23.443 ( -2.111 -0.000 -0.132) 2.115 24.998 ( 2.410 0.000 2.635) 3.570 ======================= Grid point 25 (16/128) ======================= q-point: (-0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( -0.000 2.740 0.000) 2.740 2.140 ( 0.000 -5.265 -0.000) 5.265 2.155 ( -0.000 14.495 0.000) 14.495 2.265 ( -0.000 5.310 0.000) 5.310 2.285 ( -0.000 7.675 0.000) 7.675 2.488 ( 0.000 -0.476 -0.000) 0.476 2.545 ( -0.000 3.402 0.000) 3.402 2.618 ( 0.000 -4.407 -0.000) 4.407 2.838 ( 0.000 -8.768 -0.000) 8.768 3.047 ( -0.000 2.619 0.000) 2.619 3.169 ( -0.000 5.283 0.000) 5.283 3.259 ( 0.000 -11.527 -0.000) 11.527 3.710 ( -0.000 2.068 0.000) 2.068 4.002 ( -0.000 16.180 0.000) 16.180 4.347 ( -0.000 0.943 0.000) 0.943 4.420 ( 0.000 -4.146 -0.000) 4.146 4.543 ( 0.000 -1.401 -0.000) 1.401 5.008 ( 0.000 -1.040 -0.000) 1.040 5.426 ( 0.000 -2.149 -0.000) 2.149 5.532 ( 0.000 -4.333 -0.000) 4.333 6.057 ( 0.000 -4.286 -0.000) 4.286 6.079 ( -0.000 0.185 0.000) 0.185 6.628 ( 0.000 -2.719 -0.000) 2.719 6.791 ( 0.000 -0.052 -0.000) 0.052 7.056 ( 0.000 -2.722 -0.000) 2.722 7.229 ( 0.000 -1.871 -0.000) 1.871 7.428 ( -0.000 2.272 0.000) 2.272 7.955 ( -0.000 2.133 0.000) 2.133 8.090 ( -0.000 6.861 0.000) 6.861 8.182 ( -0.000 7.530 0.000) 7.530 8.473 ( 0.000 -7.963 -0.000) 7.963 8.567 ( -0.000 0.588 0.000) 0.588 9.448 ( -0.000 4.125 0.000) 4.125 9.631 ( 0.000 -0.487 -0.000) 0.487 9.764 ( 0.000 -10.021 -0.000) 10.021 10.422 ( 0.000 -0.690 -0.000) 0.690 10.562 ( -0.000 4.138 0.000) 4.138 10.593 ( 0.000 -3.858 -0.000) 3.858 11.221 ( 0.000 -4.396 -0.000) 4.396 11.496 ( -0.000 6.100 0.000) 6.100 12.275 ( 0.000 -4.419 -0.000) 4.419 12.403 ( 0.000 -2.400 -0.000) 2.400 12.511 ( 0.000 -0.717 -0.000) 0.717 12.821 ( -0.000 2.003 0.000) 2.003 14.177 ( -0.000 0.240 0.000) 0.240 15.027 ( 0.000 -2.296 -0.000) 2.296 15.130 ( -0.000 1.581 0.000) 1.581 15.755 ( -0.000 0.336 0.000) 0.336 19.849 ( 0.000 -0.117 -0.000) 0.117 19.881 ( -0.000 0.124 0.000) 0.124 20.672 ( -0.000 1.890 0.000) 1.890 21.092 ( 0.000 -0.330 -0.000) 0.330 21.534 ( -0.000 5.946 0.000) 5.946 21.749 ( 0.000 -7.361 -0.000) 7.361 22.362 ( 0.000 -0.040 -0.000) 0.040 23.111 ( -0.000 2.429 0.000) 2.429 23.274 ( -0.000 0.618 0.000) 0.618 23.322 ( 0.000 -2.005 -0.000) 2.005 23.438 ( 0.000 -1.325 -0.000) 1.325 24.993 ( -0.000 3.517 0.000) 3.517 ======================= Grid point 49 (17/128) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 2.019 0.000 23.695) 23.781 0.496 ( 1.807 0.000 24.107) 24.175 1.150 ( 15.034 0.000 52.965) 55.057 1.758 ( -1.873 -0.000 1.174) 2.210 2.265 ( -9.247 -0.000 -3.684) 9.954 2.359 ( 1.262 0.000 0.051) 1.263 2.474 ( 0.870 0.000 1.991) 2.173 2.897 ( -4.696 -0.000 3.824) 6.056 3.052 ( 5.065 0.000 -6.963) 8.610 3.226 ( 0.895 0.000 4.977) 5.057 3.326 ( 3.146 0.000 -4.209) 5.255 3.397 ( -1.984 -0.000 0.987) 2.216 3.527 ( -10.558 -0.000 7.859) 13.162 3.603 ( -4.789 -0.000 7.255) 8.693 3.996 ( -8.689 -0.000 -8.230) 11.968 4.109 ( 1.665 0.000 -0.615) 1.775 4.675 ( 6.918 0.000 -0.099) 6.918 5.198 ( -1.364 -0.000 7.190) 7.318 5.456 ( -5.451 -0.000 -6.383) 8.394 6.021 ( 1.259 0.000 1.097) 1.669 6.233 ( 1.925 0.000 -9.023) 9.226 6.611 ( -1.025 -0.000 -1.338) 1.686 6.622 ( 2.849 0.000 0.012) 2.849 6.745 ( 3.500 0.000 -10.558) 11.123 7.009 ( -2.616 -0.000 -7.974) 8.392 7.125 ( 3.918 0.000 2.670) 4.741 7.356 ( -1.506 -0.000 4.961) 5.185 7.826 ( -4.224 -0.000 1.637) 4.530 8.059 ( 1.897 0.000 13.501) 13.634 8.175 ( 2.267 0.000 -0.885) 2.433 8.566 ( -2.227 -0.000 -8.194) 8.491 8.595 ( 2.002 0.000 9.483) 9.692 9.153 ( 1.714 0.000 -0.480) 1.780 9.710 ( -4.683 -0.000 -10.423) 11.427 9.780 ( -2.894 -0.000 -3.710) 4.705 10.441 ( 9.867 0.000 -6.179) 11.641 10.693 ( -3.681 -0.000 -6.166) 7.181 11.000 ( -4.165 -0.000 -2.267) 4.742 11.169 ( -1.424 -0.000 4.638) 4.852 11.635 ( -1.743 -0.000 8.860) 9.030 12.040 ( 4.497 0.000 0.206) 4.502 12.379 ( 6.084 0.000 4.604) 7.630 12.877 ( -2.657 -0.000 -7.267) 7.738 13.113 ( 28.810 0.000 5.394) 29.310 14.732 ( -41.403 -0.000 -3.839) 41.581 14.978 ( -24.287 -0.000 5.755) 24.959 15.260 ( 0.393 0.000 0.257) 0.470 15.386 ( -0.710 -0.000 1.155) 1.356 19.903 ( -2.185 -0.000 3.108) 3.799 20.391 ( 0.220 0.000 -2.625) 2.634 20.532 ( 5.078 0.000 3.283) 6.047 20.818 ( -70.921 -0.000 -0.529) 70.923 22.127 ( -4.851 -0.000 0.405) 4.868 22.165 ( 47.667 0.000 -1.472) 47.689 22.236 ( 18.573 0.000 1.826) 18.663 22.546 ( 0.895 0.000 0.232) 0.924 23.308 ( -1.467 -0.000 0.671) 1.613 23.675 ( 1.695 0.000 -1.618) 2.343 23.731 ( -0.671 -0.000 -1.692) 1.820 23.988 ( 42.221 0.000 -1.410) 42.245 ======================= Grid point 50 (18/128) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 10.685 -5.073 20.062) 23.290 0.860 ( 20.265 -10.274 16.492) 28.075 1.738 ( 24.211 -15.824 39.269) 48.772 1.789 ( 0.538 -3.182 0.349) 3.246 2.154 ( -3.882 0.105 -3.206) 5.036 2.390 ( 0.694 -2.012 1.694) 2.720 2.535 ( 1.049 -3.931 1.394) 4.301 2.755 ( -4.639 8.630 -0.499) 9.810 3.076 ( -2.480 -3.566 -0.585) 4.382 3.207 ( 2.002 3.974 2.480) 5.094 3.364 ( -2.241 1.977 2.888) 4.156 3.422 ( 1.638 -3.386 -1.099) 3.918 3.435 ( 1.756 -0.053 1.432) 2.267 3.693 ( -5.654 -11.508 2.387) 13.042 3.921 ( -4.642 -2.364 -8.651) 10.098 4.152 ( 3.345 -0.338 1.976) 3.900 4.806 ( 11.962 7.447 -6.426) 15.487 5.186 ( -2.184 0.043 5.805) 6.202 5.474 ( 8.157 -0.944 -8.374) 11.728 6.024 ( -1.267 1.697 -0.238) 2.131 6.167 ( 3.033 7.103 -8.686) 11.623 6.488 ( -8.406 2.039 -9.529) 12.870 6.707 ( 3.982 -0.250 -3.596) 5.371 6.794 ( 4.334 1.951 -2.087) 5.191 6.980 ( -3.260 -5.228 -6.007) 8.605 7.194 ( 3.524 -1.042 1.620) 4.016 7.396 ( 4.690 0.671 4.360) 6.439 7.721 ( -11.368 -3.873 0.271) 12.013 8.108 ( 3.352 2.889 12.178) 12.957 8.207 ( 0.524 0.869 1.982) 2.226 8.506 ( -0.964 1.149 -9.230) 9.351 8.631 ( 0.252 0.729 8.794) 8.828 9.175 ( 2.343 0.500 -0.051) 2.396 9.631 ( -1.595 -1.959 -7.594) 8.003 9.765 ( -4.144 -2.995 -9.489) 10.778 10.439 ( 6.767 11.216 4.665) 13.905 10.681 ( 1.262 -2.174 -7.574) 7.980 10.798 ( -7.424 5.807 -2.056) 9.647 11.283 ( -5.123 -13.893 8.658) 17.153 11.632 ( -5.179 0.479 5.082) 7.271 12.036 ( -0.652 0.440 1.202) 1.437 12.480 ( 1.908 -1.814 7.304) 7.764 12.796 ( -1.840 3.174 -8.933) 9.657 13.055 ( -19.699 5.163 12.856) 24.083 14.289 ( -2.589 0.715 4.806) 5.506 14.950 ( 0.607 -1.670 3.666) 4.074 15.241 ( -1.974 0.257 0.260) 2.007 15.477 ( -0.240 -7.247 -1.358) 7.377 19.883 ( -1.477 0.249 2.443) 2.865 20.142 ( -14.716 6.901 15.083) 22.174 20.433 ( 0.182 -2.070 -1.179) 2.390 20.681 ( -1.090 -6.835 3.103) 7.585 22.033 ( -4.733 2.496 -2.109) 5.751 22.198 ( 1.986 3.589 1.829) 4.491 22.391 ( 12.407 12.201 1.226) 17.445 22.767 ( 7.239 -4.759 -6.243) 10.678 23.288 ( -1.158 0.178 -0.178) 1.185 23.635 ( 2.133 4.290 -1.435) 5.002 23.641 ( -4.756 3.590 2.117) 6.323 24.494 ( 17.883 -2.085 -14.380) 23.043 ======================= Grid point 51 (19/128) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 13.382 -7.981 14.296) 21.146 1.339 ( 17.106 -12.201 13.742) 25.106 1.787 ( -3.946 3.021 -2.250) 5.455 2.043 ( -3.068 -1.787 -5.226) 6.318 2.331 ( 2.434 4.295 1.184) 5.077 2.390 ( -0.748 3.918 6.720) 7.815 2.565 ( 12.732 -9.905 17.280) 23.639 2.785 ( 6.365 -8.928 2.107) 11.165 3.130 ( 1.629 -2.722 4.786) 5.742 3.191 ( 0.126 1.998 3.633) 4.148 3.291 ( -2.042 3.750 3.244) 5.363 3.379 ( -5.334 -2.864 0.483) 6.074 3.601 ( 8.880 -2.451 -0.748) 9.243 3.731 ( -9.285 -6.662 -2.338) 11.664 3.864 ( -3.276 -1.026 -3.557) 4.943 4.248 ( 5.116 -4.443 3.244) 7.513 4.762 ( 4.194 8.956 -2.902) 10.307 5.148 ( -4.706 0.876 4.667) 6.686 5.583 ( 8.635 0.490 -8.814) 12.349 5.879 ( -5.165 7.695 -8.971) 12.898 6.149 ( 6.211 2.657 -3.942) 7.822 6.280 ( -8.221 4.766 -12.766) 15.914 6.700 ( -5.178 -1.613 -0.964) 5.509 6.781 ( 3.174 4.403 2.649) 6.040 7.019 ( -2.064 -5.922 -4.125) 7.506 7.266 ( 3.199 -1.268 1.833) 3.899 7.453 ( 4.594 2.827 2.979) 6.162 7.675 ( -5.997 -5.802 0.219) 8.347 8.147 ( 2.222 1.627 4.596) 5.358 8.156 ( -2.666 3.486 2.180) 4.900 8.454 ( -1.166 1.364 -1.928) 2.634 8.650 ( 0.919 -0.208 2.600) 2.766 9.211 ( 3.054 -0.250 -0.585) 3.119 9.647 ( -0.231 -1.059 -1.367) 1.745 9.715 ( -2.467 -4.894 -14.421) 15.428 10.431 ( 6.917 6.385 8.139) 12.444 10.594 ( -6.210 4.073 1.276) 7.535 10.745 ( 2.214 -2.623 -15.233) 15.615 11.403 ( 1.127 3.678 12.882) 13.444 11.536 ( -11.957 -8.101 5.914) 15.607 12.047 ( 2.249 -0.102 -4.003) 4.593 12.489 ( -3.819 1.405 1.017) 4.194 12.701 ( -0.905 3.789 0.342) 3.910 12.860 ( -10.248 -2.492 9.870) 14.444 14.322 ( 5.086 1.458 -0.880) 5.363 15.002 ( 0.526 -2.401 3.680) 4.425 15.212 ( -1.679 0.005 0.227) 1.694 15.559 ( 0.339 -4.231 -0.376) 4.261 19.873 ( -0.517 0.151 2.718) 2.771 20.002 ( -5.387 1.450 10.056) 11.500 20.473 ( 3.138 -0.205 -1.132) 3.342 20.756 ( -0.043 -2.435 4.312) 4.952 21.928 ( -3.354 2.194 -3.120) 5.079 22.187 ( 1.213 1.607 2.026) 2.856 22.380 ( 2.997 4.161 -0.393) 5.143 22.859 ( 3.352 -1.116 -3.159) 4.739 23.273 ( -0.566 -0.063 -0.860) 1.031 23.530 ( -4.766 2.872 3.089) 6.364 23.611 ( 0.861 1.318 -1.581) 2.231 24.608 ( 6.640 1.925 -8.751) 11.153 ======================= Grid point 52 (20/128) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 10.782 -5.381 11.008) 16.321 1.569 ( -6.604 8.798 -5.836) 12.453 1.784 ( 13.549 -11.728 11.032) 21.043 1.866 ( -13.303 8.741 -4.095) 16.436 2.210 ( 2.807 2.445 3.279) 4.961 2.423 ( -0.555 -0.995 1.874) 2.193 2.882 ( 8.673 -3.523 2.578) 9.709 3.022 ( 4.668 -2.517 -0.038) 5.304 3.123 ( -4.923 4.103 4.994) 8.124 3.157 ( -4.504 0.902 6.819) 8.222 3.271 ( 1.415 -1.197 3.161) 3.664 3.356 ( -5.436 1.119 3.624) 6.628 3.679 ( -1.589 -7.589 -1.508) 7.899 3.743 ( 2.559 -0.727 1.496) 3.052 3.870 ( 2.969 -1.807 6.794) 7.631 4.401 ( 1.262 -4.953 3.816) 6.378 4.708 ( 5.655 4.401 -1.349) 7.292 5.064 ( -8.591 -0.869 2.574) 9.011 5.594 ( -0.158 3.923 -10.137) 10.870 5.731 ( 2.657 0.624 -10.884) 11.221 6.099 ( -1.046 4.803 -9.614) 10.798 6.199 ( 6.419 1.461 -3.813) 7.608 6.650 ( -8.689 -5.586 0.660) 10.351 6.803 ( 4.392 1.219 5.622) 7.237 7.053 ( -2.162 -4.271 -2.963) 5.630 7.321 ( 2.420 0.350 2.285) 3.347 7.460 ( 0.545 1.720 1.384) 2.273 7.679 ( -1.515 -1.070 -1.616) 2.460 8.038 ( -3.178 5.232 -2.344) 6.555 8.161 ( -1.347 -0.588 1.388) 2.022 8.421 ( 0.011 2.354 2.111) 3.162 8.692 ( 2.467 -1.394 1.621) 3.264 9.242 ( 1.042 0.353 -2.195) 2.455 9.638 ( -0.020 -0.370 1.736) 1.775 9.789 ( 2.951 -8.260 -13.731) 16.293 10.432 ( -2.386 1.155 -1.905) 3.264 10.512 ( 4.044 5.017 8.499) 10.666 10.757 ( 2.588 -0.372 -15.064) 15.289 11.278 ( -2.944 10.282 13.020) 16.849 11.606 ( -6.471 -9.840 10.043) 15.478 12.064 ( 4.853 1.837 -8.032) 9.562 12.361 ( -4.361 4.656 -10.336) 12.146 12.671 ( 0.256 2.937 10.912) 11.303 12.839 ( -5.279 -4.824 5.403) 8.962 14.374 ( 3.845 -0.462 0.606) 3.920 15.049 ( -0.843 -2.457 4.138) 4.886 15.199 ( -0.836 -0.573 0.551) 1.154 15.611 ( 0.832 -1.720 0.940) 2.130 19.884 ( 0.417 -0.424 4.293) 4.334 19.962 ( -2.970 0.166 7.215) 7.804 20.515 ( 5.010 1.887 -0.240) 5.359 20.761 ( -2.495 1.073 2.728) 3.849 21.880 ( 0.256 -0.170 -2.106) 2.128 22.193 ( -0.980 -1.090 2.259) 2.693 22.348 ( -1.692 0.776 -3.099) 3.616 22.893 ( 1.088 -0.516 -2.198) 2.506 23.271 ( 0.113 -0.572 -1.187) 1.323 23.448 ( -3.419 1.625 2.880) 4.757 23.612 ( 0.339 -0.775 -0.653) 1.068 24.601 ( 3.042 4.431 -9.126) 10.591 ======================= Grid point 53 (21/128) ======================= q-point: (-0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -11.755 14.121 -2.954) 18.610 1.409 ( -9.580 16.326 5.410) 19.687 1.756 ( 6.274 -4.994 3.573) 8.779 2.163 ( 10.747 -12.240 4.941) 17.022 2.250 ( 1.768 -0.160 2.868) 3.373 2.422 ( -1.124 -0.357 1.730) 2.093 2.760 ( -20.655 19.255 5.176) 28.709 2.956 ( -1.116 4.514 -3.318) 5.712 3.007 ( -10.834 2.888 10.135) 15.114 3.058 ( 6.094 -0.327 -3.956) 7.273 3.265 ( -3.477 -1.099 6.187) 7.182 3.472 ( 2.499 -9.120 1.184) 9.530 3.692 ( -1.813 2.440 -5.956) 6.687 3.769 ( 8.612 5.654 2.486) 10.598 4.039 ( -0.895 -8.158 15.221) 17.293 4.400 ( -2.623 3.234 0.177) 4.168 4.799 ( 6.988 -2.251 4.439) 8.579 4.971 ( -10.729 -6.032 -2.610) 12.582 5.536 ( 2.487 0.030 -10.937) 11.216 5.820 ( 5.880 -6.284 -7.840) 11.642 6.055 ( 2.979 0.742 -5.855) 6.611 6.269 ( 9.341 1.750 -4.463) 10.499 6.632 ( -8.270 -8.423 -1.477) 11.896 6.871 ( 0.650 -1.592 2.696) 3.197 7.089 ( 1.373 -2.640 2.232) 3.720 7.327 ( -0.477 2.063 2.466) 3.250 7.434 ( -0.738 1.021 0.310) 1.297 7.633 ( -2.127 2.322 -7.656) 8.279 7.937 ( 1.011 5.157 3.374) 6.245 8.155 ( -2.844 -2.632 1.491) 4.152 8.404 ( 3.000 2.222 -1.741) 4.119 8.740 ( 0.121 -0.514 3.384) 3.425 9.210 ( -1.996 1.258 -3.467) 4.193 9.671 ( 1.214 -1.089 2.510) 2.993 9.934 ( 5.577 -8.116 -13.133) 16.415 10.352 ( -4.097 1.934 -2.879) 5.368 10.568 ( 6.428 1.075 4.099) 7.699 10.739 ( 3.480 3.254 -9.483) 10.613 11.160 ( -1.357 6.631 14.211) 15.740 11.665 ( -4.388 -4.582 10.482) 12.253 12.094 ( 7.451 2.372 -8.631) 11.646 12.195 ( -1.837 6.089 -15.689) 16.930 12.662 ( 0.313 4.752 15.802) 16.504 12.867 ( -3.877 -5.772 1.964) 7.225 14.458 ( 2.699 -4.376 2.414) 5.680 15.074 ( -2.582 -2.415 4.970) 6.099 15.210 ( -0.363 -1.620 1.255) 2.081 15.642 ( 1.658 0.466 2.044) 2.673 19.927 ( 0.992 -1.614 7.685) 7.915 19.948 ( -2.028 -0.360 5.761) 6.118 20.558 ( 6.452 3.749 2.161) 7.769 20.682 ( -2.826 3.780 -0.771) 4.782 21.927 ( 2.862 -3.115 0.055) 4.230 22.195 ( -6.759 -5.086 1.551) 8.599 22.292 ( -3.317 0.178 -5.467) 6.397 22.892 ( -1.041 -0.265 -2.973) 3.161 23.286 ( 0.490 -1.234 -1.031) 1.681 23.404 ( -1.477 0.707 2.144) 2.698 23.639 ( 0.055 -2.344 0.757) 2.463 24.508 ( 1.530 8.335 -12.262) 14.905 ======================= Grid point 54 (22/128) ======================= q-point: (-0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -13.052 13.676 2.385) 19.055 1.028 ( -9.785 17.978 12.193) 23.825 1.863 ( 0.194 2.044 3.429) 3.997 1.998 ( -26.006 23.314 7.204) 35.662 2.341 ( -1.344 -0.005 4.937) 5.117 2.368 ( 0.261 0.770 0.429) 0.919 2.524 ( 5.338 -6.464 -1.913) 8.599 2.806 ( 0.454 6.534 2.507) 7.013 2.925 ( -5.781 -1.542 9.574) 11.289 3.147 ( 3.578 -1.757 -3.954) 5.614 3.258 ( -3.155 -2.620 6.132) 7.377 3.536 ( -3.044 -0.217 -9.332) 9.818 3.588 ( -2.054 3.401 5.346) 6.661 3.857 ( 10.660 5.465 4.785) 12.899 4.117 ( -4.509 -4.194 6.538) 8.982 4.270 ( -5.678 3.593 -3.752) 7.696 4.902 ( -13.212 -10.053 -4.156) 17.114 4.985 ( 9.058 -1.780 5.390) 10.690 5.567 ( 2.416 -2.637 -9.780) 10.414 5.966 ( -0.161 -7.866 -4.215) 8.925 6.103 ( 3.293 -3.372 -5.279) 7.077 6.386 ( 11.491 1.059 -4.132) 12.257 6.663 ( -3.589 -8.794 -6.740) 11.646 6.847 ( -5.434 -0.630 -4.418) 7.031 7.150 ( -0.015 0.051 3.360) 3.360 7.248 ( -5.121 3.381 -1.240) 6.261 7.441 ( -1.974 -1.537 2.159) 3.305 7.574 ( 8.000 3.032 -2.708) 8.974 7.932 ( 3.143 2.602 7.714) 8.727 8.172 ( -2.442 -3.623 1.345) 4.571 8.436 ( 4.990 0.689 -1.376) 5.222 8.719 ( -3.239 1.148 1.544) 3.768 9.156 ( -1.931 0.354 -3.144) 3.707 9.698 ( -0.220 -0.717 2.051) 2.184 10.062 ( 3.985 -1.895 -8.066) 9.194 10.253 ( -3.919 -1.132 -14.880) 15.429 10.667 ( 5.604 -1.159 2.567) 6.272 10.734 ( 7.662 4.862 2.038) 9.300 11.131 ( 1.719 3.951 15.072) 15.676 11.704 ( 0.891 -1.181 8.408) 8.537 12.009 ( -1.360 7.228 -17.272) 18.773 12.182 ( 11.077 2.573 -5.435) 12.603 12.638 ( 0.751 6.184 20.427) 21.356 12.902 ( -2.911 -4.942 -1.325) 5.887 14.595 ( 1.421 -9.092 2.869) 9.640 15.083 ( -4.828 -3.892 6.503) 8.986 15.240 ( -1.051 -2.833 1.842) 3.539 15.660 ( 3.106 2.354 2.392) 4.572 19.935 ( -2.324 -0.461 5.113) 5.635 20.033 ( 2.465 -5.579 13.445) 14.763 20.533 ( -3.588 3.095 0.215) 4.743 20.677 ( 15.428 7.380 5.155) 17.862 22.020 ( -4.925 -9.063 -0.831) 10.348 22.136 ( -15.451 -9.309 -6.555) 19.192 22.234 ( 0.057 2.692 -1.095) 2.907 22.848 ( -3.166 0.743 -6.037) 6.857 23.308 ( -0.376 -1.549 0.204) 1.607 23.400 ( 1.189 0.223 0.990) 1.563 23.683 ( -0.252 -3.024 2.127) 3.706 24.322 ( 2.714 15.240 -16.379) 22.536 ======================= Grid point 55 (23/128) ======================= q-point: (-0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -11.331 4.293 16.810) 20.721 0.714 ( -9.745 13.262 20.170) 26.032 1.251 ( -18.422 28.474 28.341) 44.196 1.831 ( -3.432 3.303 2.800) 5.525 2.329 ( -1.753 -0.959 -1.452) 2.470 2.369 ( -0.790 0.191 0.880) 1.198 2.511 ( -3.120 3.187 0.642) 4.506 2.873 ( 1.991 -3.509 -4.629) 6.140 2.972 ( 5.356 -1.848 10.226) 11.690 3.174 ( -0.689 -2.643 -0.351) 2.754 3.305 ( 1.180 -2.100 1.086) 2.642 3.439 ( -1.490 3.148 -3.684) 5.070 3.545 ( -5.493 -1.249 6.424) 8.544 3.832 ( 2.613 13.628 2.319) 14.069 4.104 ( -3.348 -1.722 -0.221) 3.772 4.168 ( -5.170 -0.538 -7.900) 9.456 4.787 ( -16.760 -4.796 -9.111) 19.670 5.139 ( 4.842 -1.764 7.387) 9.007 5.579 ( -6.388 -4.540 -11.650) 14.040 6.010 ( -3.461 -3.856 -0.722) 5.232 6.185 ( 1.377 -4.958 -7.624) 9.198 6.516 ( 7.320 -1.763 -2.537) 7.945 6.714 ( -4.316 -1.305 -6.941) 8.277 6.744 ( 1.355 2.141 -7.597) 8.008 7.099 ( -3.570 3.225 -8.865) 10.086 7.117 ( -3.026 1.249 1.804) 3.738 7.400 ( -4.261 0.740 3.907) 5.828 7.748 ( 12.639 -0.046 4.523) 13.424 7.983 ( 2.299 -0.425 10.534) 10.790 8.180 ( -3.213 -2.448 -1.402) 4.276 8.507 ( 3.919 -1.381 3.080) 5.172 8.644 ( -3.780 1.540 -1.881) 4.494 9.136 ( 0.233 -0.300 -1.520) 1.567 9.711 ( -2.408 -3.580 0.051) 4.314 9.969 ( -3.930 8.685 -9.889) 13.736 10.281 ( 4.314 -7.331 -11.070) 13.960 10.730 ( -0.292 -2.252 -5.336) 5.799 10.867 ( 9.081 -3.520 8.056) 12.639 11.170 ( 7.589 6.395 14.895) 17.899 11.736 ( 1.290 8.206 -1.432) 8.429 11.895 ( 7.523 0.690 -3.540) 8.343 12.294 ( 10.340 2.748 -0.872) 10.734 12.689 ( 12.704 4.037 26.968) 30.083 12.913 ( -2.561 -2.650 -4.190) 5.580 14.762 ( -0.187 -10.244 -0.910) 10.285 15.115 ( -10.872 -13.372 7.707) 18.878 15.263 ( -3.105 -3.249 1.089) 4.624 15.640 ( -1.309 6.248 -4.410) 7.759 19.922 ( -2.377 -0.323 4.130) 4.776 20.272 ( 2.187 -15.098 12.257) 19.569 20.454 ( -1.431 1.253 0.054) 1.903 20.999 ( 46.813 3.314 29.156) 55.250 21.793 ( -57.862 -22.240 -26.204) 67.300 22.151 ( 0.901 -2.163 2.748) 3.611 22.201 ( 0.763 2.111 0.824) 2.391 22.718 ( -2.297 9.543 -9.515) 13.671 23.318 ( -1.192 -0.927 1.381) 2.046 23.450 ( 5.506 -1.995 3.358) 6.751 23.722 ( -1.385 -2.270 2.754) 3.829 24.044 ( 9.969 26.628 -14.626) 31.974 ======================= Grid point 57 (24/128) ======================= q-point: ( 0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 18.409 0.000 17.162) 25.168 1.147 ( 21.710 0.000 17.775) 28.059 1.828 ( 6.720 0.000 0.488) 6.737 1.987 ( 4.139 0.000 2.122) 4.652 2.273 ( 25.737 0.000 29.297) 38.996 2.384 ( 0.075 0.000 1.488) 1.490 2.524 ( 1.425 0.000 -0.256) 1.447 2.830 ( 0.112 0.000 3.573) 3.575 2.920 ( -6.696 -0.000 -5.696) 8.791 3.278 ( -6.078 -0.000 0.246) 6.083 3.298 ( -1.957 -0.000 3.485) 3.997 3.377 ( -2.505 -0.000 5.876) 6.387 3.434 ( 0.716 0.000 -0.893) 1.145 3.678 ( 7.440 0.000 2.557) 7.867 3.815 ( -4.245 -0.000 -8.077) 9.125 4.222 ( 5.393 0.000 2.185) 5.819 4.912 ( -3.844 -0.000 -1.794) 4.242 5.202 ( 2.220 0.000 -0.931) 2.407 5.602 ( 13.133 0.000 -13.819) 19.064 6.014 ( -2.899 -0.000 -1.205) 3.139 6.161 ( -4.348 -0.000 -17.744) 18.269 6.331 ( -11.529 -0.000 1.041) 11.576 6.804 ( -7.564 -0.000 -5.094) 9.120 6.866 ( 2.956 0.000 -1.704) 3.412 6.868 ( 12.236 0.000 -11.995) 17.134 7.224 ( 2.965 0.000 1.402) 3.280 7.505 ( -13.206 -0.000 3.348) 13.623 7.534 ( 9.835 0.000 2.975) 10.275 8.185 ( -4.789 -0.000 -1.357) 4.977 8.207 ( 2.995 0.000 10.234) 10.663 8.475 ( -0.280 -0.000 -8.159) 8.164 8.679 ( -0.148 -0.000 11.038) 11.039 9.218 ( 3.109 0.000 0.579) 3.163 9.539 ( -1.550 -0.000 -10.485) 10.599 9.714 ( -0.884 -0.000 -4.647) 4.730 10.629 ( 0.616 0.000 1.711) 1.819 10.677 ( 6.489 0.000 -10.835) 12.630 10.843 ( -2.787 -0.000 1.662) 3.245 10.915 ( -14.877 -0.000 24.256) 28.455 11.659 ( -0.900 -0.000 7.373) 7.428 12.003 ( -1.222 -0.000 -0.328) 1.266 12.508 ( -0.679 -0.000 6.262) 6.299 12.784 ( 0.685 0.000 -7.300) 7.332 12.800 ( -19.454 -0.000 15.749) 25.030 14.359 ( 6.556 0.000 -5.533) 8.579 14.968 ( 1.884 0.000 3.227) 3.736 15.191 ( -3.746 -0.000 0.608) 3.795 15.478 ( 5.014 0.000 1.001) 5.113 19.877 ( -0.651 -0.000 2.184) 2.279 20.035 ( -9.399 -0.000 11.056) 14.512 20.466 ( 5.837 0.000 0.545) 5.862 20.711 ( 4.541 0.000 6.926) 8.282 21.967 ( -4.945 -0.000 -3.901) 6.298 22.156 ( -6.272 -0.000 2.207) 6.649 22.525 ( -2.564 -0.000 -1.665) 3.057 22.856 ( 9.010 0.000 -8.286) 12.241 23.271 ( -1.004 -0.000 -0.639) 1.190 23.573 ( -6.081 -0.000 -0.085) 6.082 23.654 ( -3.659 -0.000 -1.857) 4.103 24.677 ( 11.610 0.000 -10.965) 15.970 ======================= Grid point 58 (25/128) ======================= q-point: ( 0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 19.862 -0.001 14.063) 24.337 1.517 ( 17.919 -4.064 16.885) 24.955 1.878 ( 5.159 8.018 -0.692) 9.559 1.973 ( -1.336 -0.352 -6.998) 7.133 2.377 ( -1.117 1.669 1.359) 2.425 2.475 ( -1.282 6.427 0.798) 6.602 2.755 ( 5.991 -4.024 6.038) 9.410 2.827 ( 19.327 -0.790 9.894) 21.726 3.043 ( 2.852 -11.895 13.837) 18.469 3.188 ( -6.464 -1.186 3.310) 7.359 3.222 ( -8.616 -3.253 -0.765) 9.241 3.332 ( -0.500 5.230 2.391) 5.772 3.517 ( -3.401 -6.482 1.893) 7.561 3.722 ( 4.254 3.068 -1.743) 5.527 3.836 ( 6.002 -3.262 -2.737) 7.359 4.309 ( 5.480 -0.224 3.132) 6.316 4.799 ( -8.472 1.203 2.897) 9.034 5.180 ( 0.420 5.032 -3.584) 6.193 5.696 ( 6.621 2.524 -9.521) 11.868 5.869 ( -5.932 6.996 -13.116) 16.006 6.038 ( -9.070 -3.983 -11.812) 15.416 6.232 ( -6.642 -3.807 2.556) 8.071 6.646 ( -4.940 4.218 -5.962) 8.817 6.879 ( 2.085 2.613 2.247) 4.028 6.973 ( 5.437 -0.006 -9.606) 11.038 7.302 ( 4.429 -1.814 1.360) 4.975 7.397 ( -7.981 -3.940 6.205) 10.850 7.671 ( 7.710 -0.108 -1.069) 7.785 8.083 ( -6.814 0.131 -4.094) 7.951 8.237 ( 0.738 2.329 0.380) 2.472 8.473 ( 2.017 0.758 2.215) 3.090 8.679 ( -1.124 1.807 8.526) 8.788 9.267 ( 4.132 0.695 0.565) 4.228 9.560 ( 1.642 -6.032 -8.828) 10.818 9.673 ( -0.412 2.014 -4.063) 4.554 10.551 ( -8.282 6.707 2.464) 10.938 10.636 ( 0.821 2.762 0.764) 2.981 10.738 ( 6.117 1.686 -1.589) 6.541 11.132 ( -6.678 -19.470 11.591) 23.623 11.590 ( -1.512 8.514 8.094) 11.845 12.045 ( 3.857 -3.099 -4.286) 6.546 12.463 ( -4.131 2.344 -2.881) 5.555 12.657 ( -9.851 -3.037 10.500) 14.714 12.790 ( 1.896 1.085 1.368) 2.577 14.391 ( 1.775 1.063 -3.200) 3.811 15.010 ( 2.035 -0.349 2.642) 3.353 15.155 ( -3.479 -1.749 0.383) 3.913 15.564 ( 4.798 -1.057 1.027) 5.019 19.878 ( -0.157 -0.019 2.837) 2.841 19.970 ( -4.164 0.208 7.540) 8.616 20.564 ( 8.130 1.107 2.084) 8.465 20.780 ( 1.643 0.228 6.475) 6.684 21.890 ( -3.208 0.508 -3.768) 4.975 22.074 ( -9.427 -3.177 1.518) 10.063 22.447 ( -3.099 2.541 -4.160) 5.776 22.925 ( 5.634 1.431 -4.729) 7.494 23.260 ( -0.409 -0.214 -0.965) 1.070 23.485 ( -5.556 0.577 1.524) 5.790 23.594 ( -3.385 -0.139 -1.418) 3.673 24.748 ( 7.690 4.182 -7.331) 11.419 ======================= Grid point 59 (26/128) ======================= q-point: ( 0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 19.947 0.089 10.680) 22.627 1.679 ( 1.720 12.710 -2.041) 12.988 1.848 ( -4.360 8.373 -3.297) 10.000 1.916 ( 13.269 -1.964 10.593) 17.092 2.284 ( -1.641 4.595 3.824) 6.199 2.436 ( 1.957 1.817 1.495) 3.060 2.912 ( 3.349 -4.956 -2.361) 6.430 2.997 ( -7.733 -2.994 3.207) 8.890 3.050 ( -3.288 -6.017 5.701) 8.917 3.181 ( -5.594 -3.894 3.626) 7.721 3.222 ( -1.947 8.220 1.362) 8.556 3.357 ( -1.800 7.086 6.008) 9.463 3.502 ( 1.142 -11.531 2.648) 11.886 3.867 ( 11.067 -1.722 10.186) 15.139 3.951 ( 7.420 0.258 -0.559) 7.445 4.383 ( 1.384 -1.115 2.559) 3.116 4.708 ( -6.072 -2.498 4.191) 7.790 5.050 ( -2.685 7.752 -5.963) 10.142 5.582 ( -4.390 4.041 -12.775) 14.100 5.769 ( 3.003 0.953 -8.444) 9.012 5.965 ( -6.346 -4.791 -5.829) 9.859 6.251 ( -3.624 -7.252 -0.176) 8.109 6.522 ( -1.329 3.802 -6.313) 7.489 6.887 ( 2.204 1.597 3.575) 4.493 7.005 ( 2.297 -1.616 -5.431) 6.115 7.363 ( 0.319 -0.962 3.751) 3.885 7.404 ( -1.883 -1.939 5.376) 6.017 7.713 ( 2.533 2.633 -7.175) 8.051 8.008 ( -3.881 -2.311 -4.156) 6.138 8.182 ( 0.109 5.114 1.478) 5.324 8.482 ( 1.416 3.142 3.610) 4.990 8.686 ( -0.405 -1.879 4.319) 4.727 9.292 ( 2.623 3.224 -1.256) 4.342 9.647 ( 1.172 0.283 -1.649) 2.043 9.685 ( 3.994 -8.058 -6.996) 11.394 10.405 ( -3.575 2.216 -0.588) 4.247 10.602 ( -0.148 1.656 -5.275) 5.531 10.802 ( 4.711 1.147 2.575) 5.490 11.265 ( -9.261 -8.007 7.188) 14.197 11.503 ( 0.635 3.047 11.345) 11.764 12.145 ( 8.310 -0.733 -6.257) 10.428 12.331 ( -4.173 3.900 -10.631) 12.068 12.649 ( -5.839 -6.565 5.753) 10.502 12.802 ( 1.616 2.755 8.295) 8.889 14.383 ( -1.671 -0.848 0.999) 2.124 15.042 ( 1.031 0.127 2.554) 2.757 15.147 ( -2.493 -2.652 0.379) 3.660 15.640 ( 4.130 -0.259 1.351) 4.353 19.893 ( 0.063 -0.687 4.468) 4.521 19.945 ( -2.235 0.046 5.607) 6.036 20.665 ( 8.800 3.259 4.854) 10.565 20.777 ( -0.610 2.326 2.096) 3.190 21.851 ( -2.875 -1.502 -2.075) 3.851 21.997 ( -10.614 -5.442 0.581) 11.942 22.359 ( -2.578 1.538 -6.310) 6.987 22.951 ( 4.016 2.798 -2.160) 5.350 23.262 ( 0.264 -0.506 -0.909) 1.073 23.419 ( -3.613 0.271 2.163) 4.220 23.563 ( -2.843 -2.128 -0.554) 3.594 24.737 ( 5.827 6.935 -7.562) 11.800 ======================= Grid point 60 (27/128) ======================= q-point: (-0.43 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 0.524 22.935 -3.712) 23.239 1.580 ( -4.530 16.388 3.251) 17.311 1.912 ( 15.201 2.689 6.456) 16.733 2.177 ( 8.475 -6.508 4.241) 11.496 2.257 ( -0.687 -1.382 3.672) 3.983 2.438 ( 1.403 1.867 -0.825) 2.476 2.816 ( -14.232 10.300 11.004) 20.730 2.915 ( -10.008 8.066 10.901) 16.854 2.955 ( -3.744 0.903 -2.059) 4.367 3.166 ( 0.059 -0.390 0.916) 0.997 3.201 ( -1.625 -4.125 1.128) 4.575 3.288 ( -1.100 -4.793 -0.293) 4.927 3.622 ( -2.033 -2.245 -2.114) 3.693 3.984 ( -1.617 -2.776 13.471) 13.848 4.076 ( 14.040 6.212 1.868) 15.466 4.378 ( -3.573 0.743 -2.099) 4.210 4.687 ( -8.345 -3.422 1.514) 9.145 4.947 ( 4.613 1.039 -2.217) 5.222 5.518 ( 0.676 -1.822 -9.556) 9.751 5.798 ( 1.373 -3.486 -5.856) 6.952 5.960 ( -3.228 -5.119 -3.945) 7.224 6.340 ( -1.761 -10.126 -0.107) 10.279 6.470 ( 4.405 2.670 -7.992) 9.508 6.878 ( -0.968 1.127 -4.674) 4.904 7.084 ( 2.641 -3.929 3.270) 5.754 7.370 ( -0.816 3.354 2.473) 4.246 7.396 ( -2.103 -0.804 5.930) 6.344 7.664 ( 1.920 3.045 -7.332) 8.168 7.998 ( -1.671 -2.189 -3.230) 4.245 8.127 ( 0.669 4.509 8.659) 9.785 8.469 ( 2.601 1.721 -2.299) 3.875 8.714 ( -2.192 -1.877 2.357) 3.726 9.233 ( -0.146 5.212 -2.706) 5.874 9.678 ( 1.704 -1.119 -0.419) 2.081 9.855 ( 5.208 -8.871 -7.927) 12.986 10.333 ( -2.862 3.265 -3.033) 5.296 10.582 ( 2.046 -1.372 -8.568) 8.915 10.842 ( 2.268 1.366 4.226) 4.987 11.214 ( -5.327 0.697 9.062) 10.534 11.570 ( -0.155 -5.131 10.112) 11.340 12.178 ( -1.863 4.981 -14.635) 15.571 12.266 ( 11.386 1.276 -5.726) 12.809 12.700 ( -4.533 -8.233 0.400) 9.407 12.803 ( 1.762 4.406 13.609) 14.412 14.386 ( -4.444 -4.366 4.285) 7.561 15.049 ( -0.327 0.684 3.066) 3.159 15.163 ( -1.427 -2.905 0.541) 3.282 15.695 ( 3.338 0.555 1.446) 3.680 19.918 ( -1.700 -1.006 5.103) 5.472 19.945 ( 0.040 -0.909 6.573) 6.635 20.654 ( -3.264 4.675 2.960) 6.424 20.823 ( 13.451 3.267 2.807) 14.124 21.765 ( -16.716 -4.965 -4.445) 17.995 21.989 ( -1.259 -4.637 1.997) 5.203 22.296 ( -1.023 0.916 -6.308) 6.456 22.940 ( 2.486 4.270 -0.914) 5.025 23.274 ( 0.292 -0.698 -0.081) 0.761 23.392 ( -1.111 -0.562 1.302) 1.802 23.574 ( -2.161 -3.793 0.954) 4.468 24.665 ( 4.729 9.284 -9.614) 14.177 ======================= Grid point 61 (28/128) ======================= q-point: (-0.29 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 3.306 24.761 -0.682) 24.990 1.266 ( -4.198 21.006 9.933) 23.612 1.962 ( 1.970 6.216 2.912) 7.141 2.138 ( -8.992 20.245 5.706) 22.875 2.328 ( -5.063 2.270 -2.150) 5.950 2.382 ( 5.172 -0.788 2.716) 5.895 2.562 ( 2.089 3.513 9.145) 10.017 2.822 ( -8.559 -3.884 9.137) 13.108 2.904 ( 1.395 1.741 6.179) 6.569 3.133 ( -3.540 0.107 0.119) 3.544 3.246 ( 5.520 0.999 1.421) 5.787 3.364 ( -5.337 -8.852 -2.355) 10.601 3.564 ( -4.870 0.867 1.063) 5.060 4.017 ( -5.049 -3.174 7.302) 9.428 4.150 ( 10.833 8.160 1.103) 13.607 4.249 ( -4.151 5.146 -8.397) 10.688 4.619 ( -7.995 -4.898 -2.057) 9.599 5.075 ( 6.509 -2.645 4.905) 8.568 5.520 ( -1.565 -1.202 -7.471) 7.728 5.864 ( 0.054 -6.329 -4.748) 7.912 5.990 ( -2.944 -5.602 -1.878) 6.602 6.469 ( 3.061 -5.403 -4.825) 7.864 6.543 ( 6.765 -4.588 -6.131) 10.218 6.816 ( -2.075 1.095 -6.649) 7.051 7.148 ( -0.806 -0.516 2.277) 2.470 7.259 ( -3.347 6.419 -1.280) 7.351 7.400 ( -1.703 -0.213 4.298) 4.628 7.710 ( 8.344 -1.098 5.024) 9.802 7.988 ( -2.315 -1.048 -2.408) 3.500 8.123 ( 0.669 1.158 9.258) 9.354 8.492 ( 3.071 -0.266 -4.912) 5.800 8.685 ( -3.638 0.531 1.101) 3.838 9.159 ( 0.342 3.095 -2.208) 3.818 9.697 ( 0.159 0.297 -1.206) 1.252 10.026 ( 3.696 -8.833 -9.612) 13.568 10.187 ( -4.159 6.711 -7.708) 11.034 10.639 ( 2.674 -3.422 -6.050) 7.448 10.857 ( 0.799 0.498 0.257) 0.976 11.200 ( -1.864 -1.458 14.772) 14.960 11.696 ( 2.362 -6.067 7.405) 9.860 12.037 ( -0.252 5.339 -16.439) 17.286 12.399 ( 12.471 2.681 -2.780) 13.055 12.745 ( -3.963 -6.283 -2.310) 7.779 12.831 ( 4.402 2.515 15.446) 16.257 14.406 ( -8.776 -8.064 6.904) 13.774 15.029 ( -1.671 1.620 3.886) 4.530 15.194 ( -0.604 -2.826 0.577) 2.947 15.720 ( 1.155 1.225 -0.096) 1.687 19.910 ( -2.188 -0.420 3.747) 4.360 20.008 ( -0.536 -3.894 10.937) 11.622 20.541 ( -2.988 4.105 -0.218) 5.082 21.044 ( 20.315 0.474 8.307) 21.953 21.509 ( -24.330 -2.680 -8.092) 25.780 22.059 ( -0.859 -4.415 2.549) 5.170 22.268 ( 1.844 1.570 -3.838) 4.538 22.890 ( 1.004 5.368 -1.106) 5.572 23.286 ( -0.357 -0.840 0.991) 1.347 23.414 ( 1.670 -1.375 0.643) 2.257 23.614 ( -1.787 -4.451 2.100) 5.236 24.549 ( 5.430 11.106 -12.235) 17.393 ======================= Grid point 62 (29/128) ======================= q-point: (-0.14 0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 8.844 21.107 7.403) 24.052 0.903 ( -4.670 21.015 14.185) 25.781 1.735 ( 7.236 28.354 28.515) 40.858 1.879 ( -2.192 6.110 2.277) 6.879 2.235 ( -6.552 -1.673 -5.638) 8.804 2.411 ( 1.700 3.396 2.268) 4.423 2.576 ( 2.538 4.950 5.322) 7.698 2.751 ( -9.310 -5.201 -0.909) 10.703 3.058 ( 7.345 -5.574 6.927) 11.533 3.101 ( -1.079 -0.450 1.029) 1.557 3.327 ( 5.044 -0.705 1.940) 5.449 3.378 ( -3.922 -3.461 -1.368) 5.407 3.493 ( -4.004 1.211 3.339) 5.352 3.956 ( -4.916 5.199 -4.178) 8.286 4.065 ( -5.134 3.787 -6.432) 9.059 4.162 ( 1.670 5.623 -0.868) 5.930 4.612 ( 0.970 -3.859 -0.614) 4.026 5.177 ( 1.299 -0.951 6.167) 6.374 5.469 ( -1.023 1.136 -6.486) 6.664 5.977 ( 4.905 -4.842 -2.175) 7.227 6.028 ( -3.944 -8.265 -3.304) 9.736 6.540 ( 1.539 -1.034 -8.139) 8.348 6.667 ( 1.392 -6.356 -8.876) 11.005 6.777 ( 0.742 2.482 0.464) 2.632 7.099 ( -1.494 4.914 -3.268) 6.087 7.150 ( 1.898 2.382 -0.290) 3.060 7.382 ( -2.284 0.493 4.768) 5.310 7.861 ( 1.271 1.324 5.717) 6.004 7.972 ( -0.347 -4.583 4.156) 6.197 8.160 ( 1.969 -0.415 5.657) 6.004 8.515 ( 0.460 -1.670 -7.558) 7.754 8.630 ( -1.621 1.877 4.025) 4.728 9.145 ( 1.700 0.438 -0.971) 2.006 9.673 ( -0.875 1.057 -1.971) 2.402 9.964 ( -6.882 5.076 -16.821) 18.870 10.205 ( 5.723 -6.998 0.702) 9.068 10.690 ( 0.945 -1.947 -5.971) 6.351 10.839 ( -2.911 -0.964 -4.484) 5.432 11.287 ( 1.241 -3.001 16.515) 16.832 11.774 ( -3.385 1.382 -5.528) 6.628 11.973 ( 4.871 -0.263 -3.426) 5.961 12.475 ( 4.975 4.140 2.254) 6.854 12.782 ( -2.383 -5.962 -6.319) 9.008 12.972 ( 7.797 -4.082 13.277) 15.929 14.384 ( -16.483 -8.139 9.505) 20.695 14.982 ( -1.835 2.607 4.215) 5.285 15.228 ( -0.104 -2.130 0.498) 2.190 15.654 ( -4.394 5.157 -4.293) 8.021 19.896 ( -2.089 -0.375 3.044) 3.711 20.102 ( -4.831 -8.212 14.417) 17.281 20.468 ( -0.699 2.077 -0.373) 2.223 21.022 ( -26.626 4.249 -6.832) 27.815 21.598 ( 33.982 -10.120 12.472) 37.587 22.085 ( -3.964 -3.276 0.460) 5.163 22.277 ( 3.818 2.397 0.255) 4.515 22.814 ( 1.201 5.714 -2.657) 6.415 23.294 ( -0.775 -0.770 0.730) 1.314 23.489 ( 4.386 -3.170 2.217) 5.848 23.652 ( -2.816 -3.616 1.896) 4.960 24.444 ( 10.120 10.845 -14.233) 20.558 ======================= Grid point 65 (30/128) ======================= q-point: ( 0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 18.478 0.000 12.031) 22.049 1.776 ( 12.873 0.000 15.798) 20.378 1.945 ( 3.597 0.000 -5.120) 6.257 2.096 ( 10.315 0.000 -0.403) 10.323 2.394 ( 0.535 0.000 2.024) 2.093 2.514 ( 0.880 0.000 1.054) 1.373 2.726 ( -4.878 -0.000 -4.803) 6.846 2.939 ( 4.533 0.000 3.409) 5.672 3.037 ( -12.812 -0.000 6.411) 14.326 3.043 ( -10.246 -0.000 1.230) 10.319 3.229 ( 10.406 0.000 15.662) 18.803 3.388 ( -3.980 -0.000 2.430) 4.664 3.471 ( 7.034 0.000 4.894) 8.569 3.845 ( 12.796 0.000 2.503) 13.038 3.913 ( 8.243 0.000 -1.353) 8.353 4.385 ( 3.632 0.000 2.682) 4.515 4.683 ( -9.203 -0.000 6.577) 11.311 5.191 ( -3.004 -0.000 -7.226) 7.826 5.723 ( -4.369 -0.000 -5.980) 7.406 5.755 ( -12.776 -0.000 -17.851) 21.952 5.909 ( 2.818 0.000 -9.014) 9.444 6.064 ( -9.022 -0.000 2.514) 9.366 6.590 ( -3.910 -0.000 -7.365) 8.338 6.929 ( 0.565 0.000 5.931) 5.958 7.019 ( 2.643 0.000 -13.028) 13.293 7.313 ( -2.764 -0.000 10.404) 10.765 7.355 ( 4.717 0.000 1.714) 5.019 7.760 ( 5.704 0.000 -5.835) 8.160 7.973 ( -5.218 -0.000 -7.503) 9.139 8.243 ( -0.299 -0.000 -4.860) 4.869 8.540 ( 3.917 0.000 6.072) 7.226 8.693 ( -3.738 -0.000 10.187) 10.851 9.343 ( 5.054 0.000 1.770) 5.355 9.529 ( 3.788 0.000 -5.589) 6.752 9.678 ( 0.573 0.000 -4.740) 4.775 10.517 ( -9.169 -0.000 7.520) 11.858 10.575 ( -3.002 -0.000 -8.464) 8.981 10.858 ( -2.226 -0.000 17.934) 18.071 10.976 ( 6.332 0.000 -3.759) 7.364 11.654 ( -2.109 -0.000 6.078) 6.434 12.085 ( 7.826 0.000 -3.131) 8.429 12.409 ( -4.053 -0.000 -9.320) 10.163 12.522 ( -7.918 -0.000 6.053) 9.966 12.848 ( 2.471 0.000 6.990) 7.414 14.379 ( -3.072 -0.000 -1.058) 3.249 15.053 ( 2.937 0.000 1.801) 3.445 15.093 ( -3.313 -0.000 0.620) 3.371 15.636 ( 5.256 0.000 1.240) 5.401 19.884 ( -0.367 -0.000 3.426) 3.445 19.946 ( -2.189 -0.000 5.602) 6.014 20.719 ( 10.324 0.000 5.168) 11.545 20.812 ( -0.251 -0.000 4.242) 4.250 21.839 ( -3.014 -0.000 -2.092) 3.669 21.906 ( -11.074 -0.000 0.893) 11.110 22.378 ( -5.083 -0.000 -7.421) 8.995 22.998 ( 4.857 0.000 -3.790) 6.161 23.254 ( 0.143 0.000 -0.595) 0.612 23.419 ( -4.574 -0.000 1.420) 4.789 23.535 ( -3.822 -0.000 -0.112) 3.824 24.857 ( 6.055 0.000 -7.209) 9.414 ======================= Grid point 66 (31/128) ======================= q-point: ( 0.43 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 5.660 3.260 3.037) 7.203 1.918 ( 11.214 -2.674 8.194) 14.144 2.014 ( 8.197 14.236 -1.524) 16.498 2.153 ( 11.963 4.236 7.763) 14.877 2.333 ( -2.208 5.468 1.504) 6.086 2.531 ( 1.821 5.152 1.460) 5.656 2.766 ( -2.323 -14.992 -2.351) 15.352 2.850 ( -13.247 0.229 8.481) 15.731 2.894 ( -7.990 -0.154 2.477) 8.366 3.079 ( 0.573 -4.976 2.624) 5.654 3.287 ( -5.858 6.035 2.782) 8.858 3.319 ( -3.582 -6.392 0.373) 7.337 3.580 ( 8.069 3.987 7.161) 11.501 4.012 ( 4.896 1.324 3.907) 6.402 4.104 ( 16.092 -0.682 5.832) 17.130 4.413 ( 0.780 1.118 1.202) 1.817 4.617 ( -3.283 -0.959 6.991) 7.783 5.065 ( -5.683 4.016 -7.040) 9.899 5.514 ( -7.535 1.947 -12.988) 15.141 5.642 ( -9.247 -5.087 -4.480) 11.466 5.931 ( 4.800 1.589 -6.735) 8.422 6.055 ( -2.985 -7.959 0.531) 8.517 6.515 ( -2.327 0.052 -10.390) 10.648 6.930 ( -1.321 2.267 -1.357) 2.954 6.993 ( -0.255 -1.716 -2.935) 3.410 7.347 ( 0.026 -1.912 11.606) 11.763 7.421 ( 2.263 0.053 1.986) 3.011 7.775 ( 3.567 3.977 -8.851) 10.338 7.926 ( 0.337 -1.464 -6.830) 6.993 8.232 ( 0.734 -0.146 -3.028) 3.119 8.563 ( -0.214 4.223 4.515) 6.186 8.661 ( -3.241 -0.749 6.904) 7.664 9.393 ( 4.221 3.746 0.546) 5.670 9.623 ( 4.564 -5.741 -4.010) 8.358 9.666 ( 0.646 0.672 -1.968) 2.178 10.392 ( -4.028 2.307 2.359) 5.207 10.560 ( -1.093 -2.567 -6.663) 7.224 10.856 ( -3.518 0.361 12.893) 13.370 11.079 ( 0.393 -5.792 -3.941) 7.017 11.603 ( -0.984 4.612 7.894) 9.195 12.226 ( 7.956 -2.839 -3.022) 8.972 12.300 ( -1.866 2.446 -12.583) 12.953 12.483 ( -5.097 -4.721 1.478) 7.103 12.892 ( 1.777 1.565 10.350) 10.617 14.321 ( -5.436 -0.610 2.088) 5.855 15.063 ( -1.636 -0.896 0.422) 1.912 15.099 ( 1.760 -0.224 2.027) 2.694 15.705 ( 4.067 0.178 1.293) 4.271 19.890 ( -0.887 -0.543 3.926) 4.061 19.940 ( -0.851 0.074 5.195) 5.265 20.766 ( -3.750 2.209 4.268) 6.096 20.892 ( 12.145 1.388 2.799) 12.540 21.724 ( -10.892 1.795 -1.395) 11.126 21.842 ( -4.055 -4.979 1.412) 6.575 22.300 ( -2.049 -0.222 -8.639) 8.882 23.038 ( 3.917 1.783 -1.832) 4.677 23.261 ( 0.784 -0.230 -0.024) 0.817 23.374 ( -3.059 -0.625 1.675) 3.543 23.496 ( -2.870 -1.111 0.715) 3.159 24.874 ( 4.294 4.196 -8.064) 10.054 ======================= Grid point 67 (32/128) ======================= q-point: (-0.43 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 2.563 18.700 -2.822) 19.085 1.793 ( 4.662 14.785 3.630) 15.922 2.192 ( 2.884 8.005 3.093) 9.053 2.207 ( 1.460 -0.478 1.641) 2.248 2.237 ( 5.142 -2.439 3.093) 6.477 2.479 ( -0.314 2.397 -1.202) 2.700 2.712 ( -11.076 -0.571 11.651) 16.086 2.832 ( -6.187 -4.494 8.272) 11.265 2.973 ( -0.648 -12.501 -3.109) 12.898 3.055 ( -5.646 12.103 9.954) 16.657 3.136 ( -0.477 -0.597 1.041) 1.291 3.366 ( 1.717 -1.401 -1.666) 2.773 3.620 ( 2.634 3.228 3.183) 5.243 3.985 ( -3.942 4.734 11.590) 13.126 4.254 ( 2.325 -0.604 -2.671) 3.592 4.409 ( 6.529 4.413 -0.730) 7.915 4.587 ( -5.882 1.914 -0.596) 6.214 5.007 ( 5.104 -1.020 2.384) 5.725 5.432 ( -2.971 -3.954 -8.172) 9.552 5.624 ( -6.566 -8.671 -4.248) 11.677 5.948 ( 3.787 1.832 -4.987) 6.525 6.192 ( 2.927 -9.866 1.721) 10.434 6.480 ( 0.126 -2.342 -12.754) 12.968 6.834 ( -4.084 0.726 -10.640) 11.420 7.060 ( 0.441 -4.384 5.526) 7.067 7.407 ( -1.099 1.685 5.753) 6.095 7.413 ( 1.229 1.598 5.414) 5.777 7.739 ( 4.905 3.929 -4.196) 7.557 7.950 ( 1.759 -0.799 -4.084) 4.518 8.231 ( 0.306 3.210 5.580) 6.445 8.499 ( -0.739 1.151 -2.715) 3.040 8.643 ( -4.527 -1.883 1.453) 5.114 9.341 ( 1.980 7.951 -1.348) 8.304 9.679 ( 0.741 -1.211 -0.962) 1.715 9.775 ( 4.202 -7.649 -4.790) 9.955 10.338 ( -1.856 2.126 -1.140) 3.043 10.572 ( 2.449 -1.094 -8.217) 8.644 10.831 ( -5.718 -1.857 10.920) 12.466 11.121 ( -2.723 -3.898 -2.971) 5.607 11.588 ( 1.237 0.545 10.262) 10.351 12.162 ( -1.889 3.069 -15.687) 16.096 12.409 ( 7.956 -3.362 -1.673) 8.798 12.511 ( -2.518 -6.139 -1.546) 6.813 12.916 ( 1.224 2.415 12.150) 12.448 14.270 ( -5.859 -2.057 4.412) 7.617 15.067 ( -0.396 -1.122 0.293) 1.225 15.125 ( 0.825 0.014 2.845) 2.962 15.746 ( 1.976 0.647 1.017) 2.315 19.894 ( -1.645 -0.689 3.432) 3.868 19.953 ( -0.325 -0.488 6.815) 6.840 20.664 ( -4.640 3.589 -0.230) 5.871 21.058 ( 11.514 0.549 4.784) 12.480 21.518 ( -11.340 2.981 -2.642) 12.019 21.890 ( -3.058 -6.842 1.429) 7.629 22.284 ( 2.394 -0.131 -6.144) 6.595 23.040 ( 2.523 3.965 -0.223) 4.705 23.275 ( 0.472 0.009 0.954) 1.064 23.366 ( -0.651 -1.657 1.094) 2.089 23.496 ( -1.740 -2.894 1.445) 3.673 24.812 ( 2.555 6.836 -9.622) 12.077 ======================= Grid point 68 (33/128) ======================= q-point: (-0.29 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 6.691 23.690 -1.800) 24.683 1.573 ( -1.452 22.299 8.464) 23.895 2.072 ( -6.067 5.900 -0.966) 8.518 2.089 ( -5.233 -2.908 -5.307) 8.000 2.376 ( -2.488 7.181 -1.510) 7.749 2.490 ( -1.895 -10.415 4.527) 11.514 2.609 ( -0.611 6.134 10.117) 11.847 2.757 ( -0.893 9.389 9.102) 13.107 2.982 ( 4.917 0.051 14.383) 15.200 3.119 ( -2.575 -7.450 -1.334) 7.994 3.134 ( -0.450 -1.530 2.811) 3.232 3.399 ( 3.893 1.410 -0.702) 4.200 3.580 ( 1.940 6.412 2.468) 7.139 3.916 ( -6.498 -2.079 9.923) 12.043 4.186 ( -5.633 2.899 -9.975) 11.817 4.432 ( 7.203 9.386 0.974) 11.871 4.484 ( -4.265 -3.174 -2.612) 5.924 5.141 ( 5.611 -1.306 5.845) 8.207 5.455 ( 0.837 -3.275 -6.180) 7.044 5.672 ( -4.468 -10.511 -5.373) 12.622 5.967 ( 2.993 0.254 -2.527) 3.925 6.397 ( 1.500 -10.126 -2.125) 10.455 6.491 ( 1.834 -2.741 -12.376) 12.808 6.781 ( 0.127 -1.623 -5.713) 5.941 7.129 ( -0.089 -2.930 2.438) 3.813 7.311 ( -2.163 6.363 -0.917) 6.783 7.414 ( -1.425 2.614 7.044) 7.647 7.813 ( 7.011 -2.080 3.830) 8.256 7.953 ( 0.414 2.083 -0.106) 2.126 8.184 ( -2.161 2.562 7.991) 8.665 8.486 ( -0.409 -0.289 -5.828) 5.849 8.621 ( -2.913 -3.355 -1.999) 4.872 9.249 ( 2.140 6.881 -1.718) 7.408 9.691 ( -0.902 -0.573 -0.683) 1.268 9.912 ( 2.741 -5.979 -11.467) 13.219 10.242 ( -1.070 5.687 -1.302) 5.932 10.602 ( -0.161 -2.598 -3.925) 4.709 10.831 ( -1.591 -1.916 -0.557) 2.552 11.136 ( -3.453 -5.213 6.358) 8.917 11.675 ( 1.858 -3.834 9.783) 10.671 12.056 ( 0.459 3.243 -15.599) 15.939 12.519 ( -0.750 -4.963 -2.996) 5.846 12.582 ( 2.231 -3.648 -0.788) 4.348 12.938 ( 0.659 1.175 12.419) 12.492 14.246 ( -4.512 -2.496 5.338) 7.422 15.069 ( 0.480 1.936 1.781) 2.674 15.151 ( 0.093 -2.084 2.300) 3.105 15.739 ( -1.139 1.665 -0.162) 2.024 19.886 ( -1.795 -0.350 2.859) 3.394 19.982 ( -1.454 -1.618 9.064) 9.321 20.552 ( -3.130 3.168 -2.189) 4.962 21.095 ( -10.702 1.525 -1.827) 10.963 21.474 ( 15.050 -0.181 5.570) 16.049 21.943 ( -3.660 -6.157 -0.570) 7.185 22.322 ( 4.719 0.552 -2.349) 5.300 22.987 ( 0.546 5.950 0.189) 5.978 23.280 ( -0.151 -0.057 1.010) 1.023 23.412 ( 1.791 -2.596 1.335) 3.425 23.534 ( -1.073 -3.800 1.795) 4.338 24.700 ( 1.471 7.375 -11.049) 13.366 ======================= Grid point 69 (34/128) ======================= q-point: (-0.14 0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -1.535 22.616 6.710) 23.641 1.337 ( 12.045 20.104 8.396) 24.894 1.889 ( -9.182 1.848 -3.225) 9.906 2.100 ( -1.186 -2.358 -2.920) 3.936 2.248 ( 5.506 8.506 4.744) 11.188 2.425 ( -13.208 -3.443 5.381) 14.672 2.580 ( 3.372 9.073 9.796) 13.771 2.781 ( 9.704 5.750 7.334) 13.455 3.081 ( 3.711 -1.026 -2.418) 4.546 3.142 ( 1.405 -0.543 11.960) 12.054 3.220 ( -1.593 -6.959 1.761) 7.353 3.431 ( 0.782 -0.311 0.365) 0.917 3.543 ( 5.736 6.042 3.272) 8.950 3.904 ( -5.291 -2.769 3.203) 6.776 3.991 ( -8.781 4.362 -11.006) 14.740 4.322 ( 1.650 11.906 2.031) 12.190 4.562 ( 3.677 -7.858 -1.974) 8.897 5.192 ( -1.442 0.742 6.120) 6.331 5.506 ( 6.182 0.402 -7.229) 9.520 5.792 ( -1.243 -12.689 -6.648) 14.379 6.014 ( 3.760 -1.960 -1.846) 4.624 6.387 ( -8.794 -4.813 -14.404) 17.549 6.627 ( 7.017 -5.203 -3.554) 9.431 6.794 ( -1.914 0.988 3.085) 3.763 7.167 ( -1.578 7.069 -1.435) 7.384 7.204 ( 4.254 -1.528 0.070) 4.520 7.372 ( -1.745 0.250 5.385) 5.667 7.846 ( -6.257 2.431 -1.987) 7.001 8.006 ( 7.570 -1.510 10.851) 13.317 8.163 ( -2.446 -1.573 2.510) 3.841 8.463 ( -1.490 -1.183 -4.195) 4.607 8.636 ( 0.344 -0.934 -1.209) 1.566 9.200 ( 2.524 3.336 -1.452) 4.428 9.670 ( -1.687 0.314 -0.221) 1.730 9.882 ( -2.715 3.537 -18.529) 19.058 10.247 ( 6.040 -1.732 5.544) 8.380 10.612 ( -4.426 -3.938 -0.691) 5.965 10.805 ( 0.579 1.695 -12.642) 12.768 11.243 ( -1.243 -8.815 14.203) 16.762 11.730 ( -3.613 1.169 3.971) 5.495 12.013 ( 3.161 0.168 -8.001) 8.605 12.526 ( -3.566 -1.510 -1.099) 4.025 12.651 ( -0.336 -4.324 -1.302) 4.529 12.954 ( -4.843 -0.751 11.521) 12.520 14.254 ( 0.316 -1.294 3.811) 4.037 15.036 ( 0.020 3.584 3.500) 5.009 15.196 ( 0.281 -2.375 1.108) 2.636 15.660 ( -3.394 4.048 -1.522) 5.498 19.875 ( -1.337 -0.194 2.727) 3.044 20.006 ( -3.721 -2.330 10.633) 11.504 20.481 ( -0.861 1.611 -2.503) 3.098 20.869 ( -9.016 4.966 -0.843) 10.327 21.837 ( 17.681 -7.972 6.030) 20.310 21.973 ( -1.043 -5.478 -1.455) 5.763 22.360 ( 2.983 2.015 0.117) 3.602 22.898 ( -0.123 5.358 -0.962) 5.445 23.280 ( -0.363 -0.176 0.014) 0.404 23.491 ( 1.345 -3.616 3.135) 4.971 23.576 ( -0.475 -2.687 0.452) 2.766 24.597 ( 2.590 4.613 -10.977) 12.186 ======================= Grid point 73 (35/128) ======================= q-point: ( 0.43 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 1.042 0.000 5.347) 5.447 2.071 ( 8.814 0.000 5.451) 10.363 2.270 ( 5.373 0.000 -0.064) 5.374 2.271 ( 1.429 0.000 0.139) 1.435 2.422 ( -1.130 -0.000 -6.517) 6.615 2.573 ( -2.534 -0.000 -0.377) 2.562 2.575 ( 1.948 0.000 9.068) 9.275 2.713 ( -8.101 -0.000 14.395) 16.518 2.812 ( -4.947 -0.000 1.773) 5.255 3.075 ( 0.606 0.000 2.468) 2.542 3.199 ( -3.087 -0.000 2.234) 3.811 3.270 ( -4.293 -0.000 1.427) 4.524 3.702 ( 2.744 0.000 3.655) 4.571 4.098 ( 3.798 0.000 -0.537) 3.836 4.316 ( 8.579 0.000 4.521) 9.698 4.431 ( 0.956 0.000 3.342) 3.476 4.617 ( -2.440 -0.000 6.305) 6.761 5.013 ( -0.428 -0.000 0.634) 0.764 5.359 ( -7.848 -0.000 -10.193) 12.864 5.479 ( -5.704 -0.000 -6.683) 8.787 6.001 ( 3.935 0.000 2.613) 4.724 6.007 ( 4.980 0.000 -5.635) 7.520 6.429 ( -2.963 -0.000 -13.361) 13.686 6.859 ( -6.446 -0.000 -17.410) 18.565 6.973 ( -1.204 -0.000 10.495) 10.564 7.387 ( 2.253 0.000 13.927) 14.108 7.465 ( 1.745 0.000 2.197) 2.806 7.867 ( 6.486 0.000 -5.179) 8.300 7.938 ( 5.613 0.000 -8.683) 10.339 8.203 ( -0.209 -0.000 -6.426) 6.429 8.590 ( -7.336 -0.000 7.433) 10.444 8.601 ( -2.876 -0.000 0.270) 2.889 9.503 ( 4.860 0.000 3.350) 5.903 9.625 ( 3.533 0.000 -1.033) 3.681 9.663 ( -0.954 -0.000 -1.979) 2.197 10.356 ( -4.000 -0.000 3.377) 5.235 10.520 ( 2.182 0.000 -5.564) 5.977 10.818 ( -6.391 -0.000 10.580) 12.360 11.044 ( 0.808 0.000 -8.138) 8.178 11.643 ( -0.776 -0.000 6.032) 6.081 12.229 ( -2.649 -0.000 -16.544) 16.755 12.255 ( -1.281 -0.000 0.552) 1.395 12.460 ( 5.708 0.000 0.557) 5.735 12.954 ( 0.940 0.000 10.642) 10.683 14.247 ( -5.027 -0.000 3.037) 5.874 15.026 ( -1.512 -0.000 0.608) 1.630 15.144 ( 2.473 0.000 2.474) 3.498 15.756 ( 2.265 0.000 1.277) 2.600 19.881 ( -1.214 -0.000 3.071) 3.302 19.950 ( -0.442 -0.000 6.007) 6.023 20.721 ( -5.332 -0.000 -0.632) 5.369 21.069 ( 8.822 0.000 4.710) 10.000 21.649 ( -5.522 -0.000 -0.157) 5.524 21.701 ( -6.052 -0.000 -0.209) 6.056 22.279 ( 2.725 0.000 -6.505) 7.053 23.097 ( 3.220 0.000 -0.850) 3.330 23.278 ( 1.545 0.000 1.056) 1.871 23.334 ( -2.257 -0.000 1.365) 2.638 23.458 ( -1.880 -0.000 1.539) 2.429 24.921 ( 1.653 0.000 -9.510) 9.653 ======================= Grid point 74 (36/128) ======================= q-point: (-0.43 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( -4.125 0.849 3.937) 5.765 2.092 ( 0.776 10.835 -3.510) 11.416 2.194 ( -5.506 6.253 -0.618) 8.354 2.205 ( -4.538 -0.978 0.615) 4.682 2.318 ( -3.491 8.002 2.051) 8.968 2.505 ( -2.715 3.127 -2.632) 4.907 2.649 ( 2.927 1.165 8.360) 8.934 2.793 ( 2.998 -5.928 11.161) 12.988 2.846 ( 3.408 -5.895 8.472) 10.869 3.074 ( -3.427 -2.440 3.454) 5.443 3.174 ( -1.101 4.596 -1.546) 4.973 3.284 ( 0.328 -7.369 2.644) 7.836 3.699 ( -1.743 2.088 2.549) 3.728 4.086 ( -0.374 4.884 0.322) 4.909 4.279 ( -1.008 8.082 1.725) 8.325 4.455 ( -7.256 0.936 -4.615) 8.650 4.583 ( 1.836 -1.542 9.402) 9.703 5.118 ( 9.815 -0.132 8.212) 12.798 5.304 ( -0.479 -4.621 -7.550) 8.865 5.446 ( -1.057 -4.068 -7.585) 8.672 6.013 ( 2.413 2.728 -5.106) 6.272 6.147 ( 5.622 -6.208 1.930) 8.595 6.396 ( 1.822 -2.679 -12.383) 12.799 6.729 ( -3.759 -1.142 -15.776) 16.258 7.008 ( -1.660 -3.348 8.495) 9.280 7.451 ( 0.292 2.524 4.832) 5.459 7.474 ( 1.456 0.675 8.951) 9.094 7.902 ( 7.847 6.850 -3.399) 10.956 7.976 ( 2.978 0.389 -4.186) 5.152 8.243 ( 1.307 -3.430 -1.991) 4.176 8.466 ( -5.496 1.532 -1.162) 5.822 8.539 ( -7.619 -1.196 -0.894) 7.764 9.486 ( 1.041 7.719 0.499) 7.805 9.654 ( -0.951 -1.172 1.546) 2.160 9.729 ( 4.015 -6.045 -0.711) 7.292 10.327 ( -1.527 0.082 -0.111) 1.534 10.565 ( 3.053 -1.686 -7.216) 8.015 10.750 ( -6.354 -0.274 9.579) 11.498 11.031 ( -2.044 -2.320 -6.468) 7.169 11.645 ( 0.804 1.279 7.102) 7.261 12.128 ( -1.237 1.875 -16.024) 16.181 12.270 ( -4.308 -7.398 -4.542) 9.691 12.558 ( 5.177 -0.359 4.057) 6.587 12.984 ( 0.108 1.148 10.164) 10.229 14.211 ( -1.439 -0.232 3.382) 3.683 15.030 ( -0.154 -1.894 0.379) 1.938 15.173 ( 1.577 1.272 3.833) 4.335 15.771 ( -0.283 0.542 1.121) 1.277 19.875 ( -1.258 -0.275 2.708) 2.999 19.962 ( -0.742 -0.123 7.079) 7.118 20.626 ( -5.114 1.478 -3.677) 6.469 21.128 ( -3.542 0.627 2.273) 4.255 21.547 ( 4.358 4.735 1.456) 6.597 21.743 ( -0.936 -6.926 -0.474) 7.005 22.324 ( 5.023 -0.125 -3.065) 5.885 23.119 ( 2.041 2.375 0.266) 3.143 23.292 ( 0.194 0.915 1.514) 1.780 23.337 ( 0.362 -2.168 1.579) 2.706 23.456 ( -0.325 -1.301 1.672) 2.143 24.867 ( -1.034 3.325 -11.403) 11.923 ======================= Grid point 75 (37/128) ======================= q-point: (-0.29 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -13.027 -2.784 -3.352) 13.736 1.862 ( -3.616 20.241 -2.057) 20.664 1.951 ( 4.000 18.415 3.171) 19.109 2.100 ( -18.539 -7.606 2.382) 20.179 2.180 ( -1.644 5.239 1.465) 5.683 2.448 ( -0.146 0.876 1.280) 1.558 2.795 ( 9.953 -3.407 5.833) 12.029 2.881 ( 2.326 4.225 7.498) 8.916 2.999 ( 2.822 -3.598 1.358) 4.770 3.098 ( -0.549 -3.356 7.643) 8.366 3.126 ( 1.442 0.464 4.051) 4.325 3.397 ( 1.443 -3.812 -1.173) 4.241 3.633 ( -7.471 -2.761 3.713) 8.788 3.959 ( -0.671 10.330 6.316) 12.126 4.147 ( -3.271 7.425 -3.586) 8.871 4.353 ( -4.614 -5.102 -2.080) 7.187 4.628 ( 2.219 5.012 6.317) 8.363 5.239 ( 4.253 2.187 7.317) 8.741 5.429 ( 7.882 -7.625 -6.615) 12.807 5.494 ( 2.089 -3.907 -8.297) 9.406 5.974 ( -1.442 0.306 -7.377) 7.522 6.260 ( -0.475 -3.295 -5.337) 6.290 6.494 ( 8.062 -3.843 -5.493) 10.485 6.742 ( 3.822 -4.248 -6.220) 8.447 7.074 ( 0.151 -5.114 5.014) 7.163 7.378 ( -1.838 5.722 0.548) 6.035 7.465 ( -2.667 4.697 7.827) 9.510 7.885 ( 2.319 3.769 -3.034) 5.365 8.025 ( 4.788 -0.360 3.280) 5.815 8.171 ( -7.785 3.257 0.267) 8.443 8.442 ( -4.842 -0.696 -1.344) 5.073 8.518 ( 3.062 -6.487 -4.183) 8.304 9.370 ( -0.606 7.047 -1.641) 7.261 9.659 ( -1.344 -0.648 1.610) 2.195 9.876 ( 5.827 -4.448 -6.696) 9.929 10.286 ( -1.354 2.169 0.611) 2.629 10.545 ( -3.177 0.628 -2.996) 4.412 10.772 ( 0.418 -4.422 -0.935) 4.539 11.026 ( -3.087 -4.211 1.093) 5.334 11.687 ( 0.912 -1.417 9.740) 9.884 12.051 ( 0.783 1.503 -15.602) 15.694 12.317 ( -4.084 -9.248 -8.347) 13.110 12.616 ( -0.374 -0.349 7.761) 7.777 12.984 ( -1.205 1.817 9.182) 9.437 14.234 ( 3.152 0.098 2.825) 4.234 15.072 ( 1.060 -2.265 -0.030) 2.501 15.175 ( 0.517 2.058 5.472) 5.869 15.736 ( -2.790 1.527 0.610) 3.239 19.871 ( -0.914 -0.134 2.984) 3.124 19.973 ( -1.560 -0.347 7.930) 8.090 20.529 ( -3.375 1.437 -4.741) 5.995 20.982 ( -10.244 2.885 -0.882) 10.679 21.690 ( 14.186 -2.689 5.267) 15.369 21.824 ( 0.609 -4.188 -1.279) 4.421 22.389 ( 4.563 0.140 -1.076) 4.690 23.074 ( -0.342 5.569 0.524) 5.604 23.284 ( 0.043 0.468 0.385) 0.607 23.394 ( 0.676 -2.921 2.895) 4.168 23.499 ( 1.977 -2.260 1.359) 3.296 24.739 ( -3.110 4.382 -12.827) 13.907 ======================= Grid point 76 (38/128) ======================= q-point: (-0.14 0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -2.513 19.664 5.458) 20.561 1.633 ( -14.693 -6.592 -7.734) 17.865 1.807 ( 10.488 17.497 6.381) 21.374 1.972 ( -18.322 -8.931 0.551) 20.390 2.144 ( 3.362 1.778 2.385) 4.489 2.440 ( 0.235 1.511 2.045) 2.554 2.847 ( 5.802 7.875 5.463) 11.204 2.980 ( 4.427 -2.543 0.575) 5.138 3.059 ( 3.476 -2.208 -0.634) 4.166 3.170 ( -1.902 -3.464 8.018) 8.939 3.194 ( 3.608 -0.516 8.831) 9.554 3.399 ( -3.772 -0.969 -0.524) 3.929 3.645 ( -3.137 -5.971 4.174) 7.932 3.853 ( 0.418 5.584 2.240) 6.031 3.951 ( -4.302 9.862 0.214) 10.762 4.424 ( -1.212 -4.870 2.084) 5.434 4.582 ( 6.136 5.405 0.887) 8.225 5.204 ( -4.509 4.346 5.893) 8.600 5.550 ( 1.958 -3.497 -8.893) 9.755 5.659 ( 10.607 -4.559 -7.965) 14.026 5.954 ( -0.614 -6.244 -9.983) 11.791 6.238 ( -1.759 0.822 -5.695) 6.017 6.651 ( 7.176 -3.836 -3.851) 9.002 6.803 ( -0.468 1.929 4.800) 5.194 7.208 ( -1.787 2.229 -1.669) 3.309 7.243 ( 2.457 -0.357 3.034) 3.920 7.380 ( -1.001 1.266 4.403) 4.689 7.802 ( -5.687 3.711 -1.237) 6.902 8.047 ( -5.706 -2.270 -3.165) 6.909 8.130 ( 4.369 -0.886 3.330) 5.565 8.405 ( -2.945 -2.073 0.538) 3.641 8.637 ( 4.574 -2.010 -0.510) 5.022 9.272 ( -0.385 3.824 -2.758) 4.730 9.647 ( -1.216 0.282 2.085) 2.430 9.905 ( 3.283 5.250 -16.485) 17.610 10.319 ( 5.208 -2.920 7.999) 9.981 10.489 ( -5.292 -1.896 -0.217) 5.625 10.791 ( 1.009 -0.097 -15.045) 15.079 11.116 ( -1.812 -9.339 12.565) 15.760 11.725 ( -2.852 0.698 10.144) 10.560 12.021 ( 2.717 -0.173 -11.792) 12.102 12.363 ( -3.773 -7.668 -11.225) 14.108 12.622 ( -2.665 -1.137 10.644) 11.032 12.943 ( -3.619 2.998 7.777) 9.086 14.303 ( 5.738 0.369 1.580) 5.963 15.089 ( -0.212 2.160 2.698) 3.463 15.184 ( 0.792 -0.709 3.260) 3.429 15.662 ( -3.037 2.449 0.287) 3.912 19.873 ( -0.129 0.147 3.727) 3.732 19.974 ( -2.523 -0.407 8.129) 8.521 20.477 ( -0.144 0.091 -3.662) 3.666 20.821 ( -6.479 1.762 0.507) 6.733 21.870 ( 0.416 -1.790 -2.073) 2.771 21.989 ( 13.521 -7.142 4.903) 16.058 22.415 ( 0.686 2.138 -0.672) 2.344 22.962 ( -2.053 5.942 -0.972) 6.361 23.280 ( 0.196 0.473 -0.673) 0.846 23.443 ( -1.669 -2.844 3.538) 4.836 23.574 ( 3.485 -1.535 0.475) 3.838 24.609 ( -2.223 1.523 -12.103) 12.399 ======================= Grid point 81 (39/128) ======================= q-point: (-0.43 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -17.633 -0.000 -2.045) 17.752 1.937 ( -18.410 -0.000 1.598) 18.479 2.200 ( -0.586 -0.000 -1.936) 2.023 2.266 ( 1.547 0.000 8.344) 8.487 2.398 ( 3.728 0.000 -13.108) 13.628 2.495 ( -7.664 -0.000 1.854) 7.885 2.705 ( 3.110 0.000 13.734) 14.082 2.852 ( 2.843 0.000 5.401) 6.103 2.896 ( 8.540 0.000 7.835) 11.590 2.998 ( -3.673 -0.000 6.939) 7.851 3.211 ( 0.369 0.000 -2.382) 2.410 3.238 ( 2.086 0.000 4.158) 4.652 3.627 ( -11.714 -0.000 -0.490) 11.724 4.072 ( -1.982 -0.000 -9.651) 9.853 4.261 ( -7.237 -0.000 -5.442) 9.055 4.512 ( -1.459 -0.000 12.862) 12.944 4.534 ( -0.960 -0.000 14.279) 14.311 5.283 ( 8.140 0.000 7.253) 10.902 5.298 ( 8.560 0.000 -7.096) 11.119 5.428 ( 5.222 0.000 -9.776) 11.084 6.091 ( 3.114 0.000 -3.039) 4.351 6.122 ( 3.241 0.000 -9.027) 9.591 6.432 ( 8.540 0.000 -3.232) 9.131 6.651 ( 2.475 0.000 -14.588) 14.796 6.988 ( -1.280 -0.000 10.119) 10.199 7.465 ( -2.753 -0.000 2.103) 3.464 7.541 ( 1.899 0.000 10.448) 10.619 7.988 ( -0.075 -0.000 -3.253) 3.254 8.079 ( 6.135 0.000 -5.564) 8.282 8.205 ( -0.268 -0.000 -3.438) 3.449 8.395 ( -7.350 -0.000 2.212) 7.676 8.404 ( -3.143 -0.000 -6.704) 7.405 9.526 ( -4.430 -0.000 -4.218) 6.117 9.689 ( 0.837 0.000 2.438) 2.578 9.693 ( 2.463 0.000 11.740) 11.996 10.309 ( -0.663 -0.000 -2.588) 2.671 10.574 ( 3.394 0.000 -10.948) 11.462 10.701 ( -4.289 -0.000 6.762) 8.007 10.959 ( -3.206 -0.000 -1.826) 3.689 11.688 ( 1.403 0.000 4.781) 4.983 12.087 ( -0.047 -0.000 -17.219) 17.219 12.128 ( -4.491 -0.000 -5.427) 7.045 12.608 ( -0.399 -0.000 8.664) 8.673 13.017 ( -0.544 -0.000 8.096) 8.114 14.243 ( 4.695 0.000 2.249) 5.206 15.023 ( 1.058 0.000 0.473) 1.159 15.215 ( 0.941 0.000 5.479) 5.559 15.758 ( -2.648 -0.000 1.259) 2.932 19.868 ( -0.586 -0.000 3.100) 3.155 19.970 ( -1.161 -0.000 7.327) 7.418 20.552 ( -4.560 -0.000 -5.857) 7.422 21.030 ( -10.776 -0.000 -0.476) 10.786 21.648 ( 5.239 0.000 -0.418) 5.256 21.761 ( 9.029 0.000 3.792) 9.793 22.388 ( 4.859 0.000 -1.234) 5.013 23.166 ( 1.630 0.000 0.869) 1.847 23.301 ( -0.464 -0.000 0.454) 0.649 23.338 ( 0.977 0.000 3.314) 3.455 23.461 ( 2.020 0.000 1.482) 2.505 24.812 ( -4.651 -0.000 -14.329) 15.065 ======================= Grid point 82 (40/128) ======================= q-point: (-0.29 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -20.539 -3.463 -4.120) 21.233 1.700 ( -22.328 -4.962 1.857) 22.948 2.077 ( -5.607 13.507 1.018) 14.659 2.220 ( 3.588 7.608 3.877) 9.262 2.332 ( 2.758 10.367 -1.871) 10.890 2.431 ( -0.909 -1.896 1.916) 2.845 2.805 ( 2.030 -3.672 3.408) 5.405 2.925 ( -5.993 -9.881 2.924) 11.921 2.991 ( -2.398 -1.022 6.929) 7.403 3.067 ( 5.622 0.173 8.999) 10.613 3.174 ( 3.225 1.632 -2.535) 4.415 3.343 ( 0.052 -4.717 -3.623) 5.948 3.430 ( -11.965 -3.362 8.135) 14.854 3.984 ( -3.841 2.247 -10.348) 11.264 4.224 ( -2.567 -3.698 1.334) 4.695 4.363 ( 1.147 13.455 12.849) 18.640 4.654 ( -1.376 -4.315 10.181) 11.143 5.336 ( 0.515 3.000 2.027) 3.657 5.448 ( 9.904 -0.500 -7.148) 12.225 5.543 ( 12.125 -5.000 -8.041) 15.384 6.000 ( 2.784 8.858 -9.090) 12.994 6.233 ( 3.291 -3.452 -5.221) 7.072 6.556 ( 7.913 -1.668 -3.856) 8.959 6.751 ( 10.208 -4.247 -6.205) 12.679 7.045 ( 2.343 -3.478 10.194) 11.023 7.402 ( -4.137 2.282 1.320) 4.905 7.521 ( -3.922 6.057 5.938) 9.345 7.933 ( -2.984 3.026 -4.325) 6.064 8.052 ( -12.662 2.099 -9.591) 16.023 8.103 ( 4.924 1.474 1.089) 5.254 8.338 ( -3.463 -1.821 -0.482) 3.942 8.520 ( 8.711 -5.554 0.483) 10.342 9.401 ( -5.367 4.055 -3.516) 7.590 9.669 ( 0.235 1.929 4.394) 4.804 9.863 ( 4.726 -8.083 6.848) 11.600 10.277 ( -2.056 0.686 -1.833) 2.839 10.529 ( -1.432 3.432 -10.408) 11.053 10.713 ( 0.533 -3.732 -1.317) 3.993 10.946 ( -1.933 -2.544 5.536) 6.392 11.715 ( 0.399 0.531 7.200) 7.230 12.036 ( 1.620 0.524 -15.242) 15.337 12.112 ( -3.461 -7.097 -10.151) 12.861 12.604 ( -4.485 -0.313 12.207) 13.009 13.015 ( -1.273 1.470 6.069) 6.373 14.337 ( 8.484 1.288 1.462) 8.705 15.062 ( 2.110 -1.822 0.176) 2.793 15.230 ( 0.289 1.795 7.697) 7.909 15.706 ( -4.338 0.670 1.193) 4.549 19.878 ( 0.443 0.121 4.693) 4.715 19.972 ( -1.647 0.090 7.324) 7.507 20.478 ( -2.776 0.018 -6.080) 6.684 20.859 ( -10.746 0.776 -1.789) 10.922 21.770 ( 7.814 -3.214 -0.962) 8.504 21.906 ( 9.255 -0.026 5.830) 10.938 22.444 ( 3.277 0.184 -0.854) 3.391 23.147 ( -0.487 4.837 0.844) 4.934 23.298 ( 0.878 0.621 -0.690) 1.278 23.369 ( -0.360 -1.939 3.585) 4.091 23.523 ( 4.408 -1.479 1.449) 4.870 24.663 ( -7.634 1.404 -17.106) 18.785 ======================= Grid point 83 (41/128) ======================= q-point: (-0.14 -0.43 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -17.841 -8.569 -4.239) 20.242 1.452 ( -21.644 -4.999 3.445) 22.480 1.830 ( -1.752 10.367 4.140) 11.300 2.194 ( 8.067 9.688 3.023) 12.964 2.240 ( 3.726 7.113 1.692) 8.206 2.440 ( -1.715 -0.390 3.687) 4.085 2.847 ( -18.697 -8.442 -2.942) 20.724 2.888 ( -5.063 -9.379 -2.927) 11.053 3.040 ( -4.223 -1.484 11.624) 12.456 3.047 ( 2.196 1.349 -1.544) 3.004 3.260 ( 1.294 -1.377 6.385) 6.658 3.388 ( 8.572 -2.732 0.605) 9.018 3.537 ( 1.650 -7.259 6.666) 9.993 3.846 ( -5.045 3.469 -8.991) 10.878 4.158 ( -3.064 9.280 14.629) 17.593 4.351 ( 2.328 -2.705 1.245) 3.780 4.711 ( 4.047 0.843 6.118) 7.384 5.223 ( -6.828 6.983 0.194) 9.768 5.518 ( 4.576 -0.296 -10.862) 11.790 5.820 ( 16.332 -2.798 -5.503) 17.460 5.899 ( 4.360 4.546 -9.914) 11.746 6.250 ( 0.652 2.010 -3.011) 3.679 6.675 ( 5.180 -3.006 -6.339) 8.721 6.899 ( 6.548 3.393 6.776) 10.015 7.206 ( -1.114 1.490 -2.304) 2.961 7.262 ( -1.067 0.324 3.712) 3.876 7.383 ( -3.058 0.586 3.277) 4.520 7.764 ( -9.701 4.249 -2.746) 10.941 7.908 ( -3.837 -2.241 -7.093) 8.370 8.171 ( 2.116 -0.731 2.751) 3.547 8.346 ( 0.516 -2.221 -0.973) 2.479 8.687 ( 4.869 -2.234 3.301) 6.292 9.272 ( -4.100 2.246 -3.742) 5.988 9.664 ( 0.501 1.063 3.643) 3.828 10.000 ( 6.113 3.459 -12.863) 14.656 10.320 ( 1.747 -7.750 14.030) 16.123 10.436 ( -1.214 1.162 -6.534) 6.747 10.742 ( 0.238 -1.293 -12.107) 12.178 11.024 ( 0.032 -6.027 12.206) 13.613 11.720 ( -3.288 0.148 10.842) 11.331 12.030 ( 4.351 0.129 -12.836) 13.554 12.160 ( -2.334 -8.774 -14.099) 16.770 12.591 ( -4.125 -1.868 15.084) 15.748 12.969 ( -2.435 3.437 4.072) 5.858 14.429 ( 7.836 3.010 1.271) 8.490 15.109 ( 0.606 -0.088 1.321) 1.456 15.221 ( 0.164 2.366 7.177) 7.559 15.644 ( -3.005 0.345 1.459) 3.358 19.903 ( 1.425 0.791 6.853) 7.044 19.964 ( -2.115 0.271 6.835) 7.160 20.460 ( 1.229 -1.825 -3.632) 4.246 20.725 ( -7.496 -1.070 -1.218) 7.669 21.891 ( 5.411 -0.148 -1.315) 5.571 22.081 ( 8.686 -3.930 5.653) 11.084 22.444 ( -1.274 2.971 -1.688) 3.647 23.013 ( -4.033 7.542 -2.240) 8.841 23.297 ( 1.107 1.160 -1.425) 2.145 23.397 ( -1.265 -1.828 3.213) 3.907 23.615 ( 4.219 -0.873 1.249) 4.486 24.504 ( -6.236 -2.312 -16.592) 17.875 ======================= Grid point 89 (42/128) ======================= q-point: (-0.29 -0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -22.312 -0.000 0.059) 22.312 1.356 ( -22.796 -0.000 2.749) 22.961 2.096 ( -7.325 -0.000 1.528) 7.483 2.319 ( -2.548 -0.000 0.562) 2.610 2.352 ( -1.137 -0.000 9.266) 9.335 2.505 ( 8.898 0.000 -9.521) 13.032 2.568 ( -26.972 -0.000 -2.180) 27.060 2.792 ( -7.526 -0.000 -4.946) 9.006 2.952 ( -2.140 -0.000 24.144) 24.239 3.186 ( 6.372 0.000 4.648) 7.887 3.226 ( -3.220 -0.000 -7.220) 7.906 3.257 ( 5.145 0.000 -2.460) 5.702 3.387 ( 3.059 0.000 12.617) 12.983 3.907 ( -5.116 -0.000 -9.214) 10.539 4.199 ( 0.650 0.000 3.736) 3.792 4.459 ( -8.989 -0.000 8.997) 12.718 4.673 ( 8.320 0.000 11.255) 13.997 5.329 ( -3.931 -0.000 -4.541) 6.007 5.564 ( 6.662 0.000 -10.705) 12.609 5.685 ( 18.618 0.000 -3.095) 18.873 6.174 ( 2.779 0.000 -0.628) 2.849 6.213 ( 8.283 0.000 -11.862) 14.468 6.613 ( 4.213 0.000 -6.446) 7.701 6.903 ( 18.071 0.000 -3.378) 18.384 7.098 ( 3.587 0.000 11.804) 12.337 7.348 ( -5.779 -0.000 1.608) 5.998 7.516 ( -7.066 -0.000 -2.893) 7.635 7.839 ( -14.983 -0.000 -6.513) 16.338 7.893 ( -2.517 -0.000 -4.790) 5.411 8.165 ( 2.081 0.000 0.800) 2.230 8.331 ( 2.956 0.000 -0.760) 3.052 8.592 ( 7.572 0.000 1.239) 7.673 9.331 ( -6.282 -0.000 -6.108) 8.762 9.732 ( 1.434 0.000 4.594) 4.813 9.853 ( 2.255 0.000 20.608) 20.731 10.240 ( -3.067 -0.000 -1.641) 3.479 10.491 ( -1.547 -0.000 -23.153) 23.205 10.698 ( 1.297 0.000 4.707) 4.882 10.942 ( 0.444 0.000 9.761) 9.771 11.744 ( -0.744 -0.000 5.356) 5.407 11.964 ( -3.530 -0.000 -10.716) 11.282 12.039 ( 4.130 0.000 -14.011) 14.606 12.565 ( -6.171 -0.000 15.093) 16.306 13.023 ( -1.425 -0.000 3.347) 3.638 14.493 ( 10.720 0.000 0.566) 10.735 15.085 ( 2.998 0.000 0.226) 3.006 15.281 ( 0.970 0.000 11.128) 11.170 15.643 ( -5.630 -0.000 1.357) 5.791 19.918 ( 2.304 0.000 8.810) 9.107 19.971 ( -1.589 -0.000 6.773) 6.957 20.426 ( -1.527 -0.000 -6.012) 6.203 20.709 ( -9.648 -0.000 -2.762) 10.035 21.870 ( 9.389 0.000 -0.943) 9.436 22.038 ( 6.807 0.000 7.032) 9.787 22.481 ( 2.093 0.000 -1.342) 2.487 23.191 ( -0.562 -0.000 0.726) 0.919 23.323 ( 2.564 0.000 -2.521) 3.596 23.353 ( -0.893 -0.000 3.381) 3.497 23.581 ( 4.928 0.000 1.152) 5.061 24.467 ( -12.604 -0.000 -22.683) 25.950 ======================= Grid point 90 (43/128) ======================= q-point: (-0.14 -0.29 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -18.219 -7.036 5.323) 20.243 1.068 ( -22.995 -3.978 5.683) 24.019 1.922 ( -6.930 5.463 3.616) 9.536 2.161 ( -31.903 -10.406 1.258) 33.581 2.319 ( -2.404 -2.925 0.836) 3.877 2.384 ( -2.165 0.424 5.522) 5.946 2.556 ( 8.580 7.622 -5.271) 12.629 2.724 ( -4.266 -6.150 -3.179) 8.131 2.983 ( -4.181 0.860 17.532) 18.044 3.157 ( 2.014 3.612 -4.320) 5.980 3.259 ( 1.342 -1.603 3.792) 4.330 3.400 ( 5.760 -7.283 -2.162) 9.534 3.529 ( 4.596 -4.949 8.842) 11.126 3.798 ( -4.372 1.685 -4.107) 6.231 4.207 ( -1.566 2.232 5.456) 6.099 4.332 ( -7.693 0.434 3.248) 8.362 4.840 ( 10.310 0.526 8.704) 13.503 5.198 ( -8.261 4.907 -6.546) 11.626 5.589 ( 5.666 3.359 -11.113) 12.918 5.963 ( 16.499 -3.042 -4.157) 17.284 6.102 ( 3.131 9.982 -4.086) 11.231 6.295 ( 4.935 1.267 -5.456) 7.465 6.671 ( 4.292 -3.050 -8.418) 9.928 7.099 ( 6.178 5.455 5.140) 9.713 7.202 ( -7.958 7.271 -7.787) 13.298 7.252 ( 3.711 -3.406 1.554) 5.271 7.332 ( -2.295 -1.275 -1.722) 3.140 7.622 ( -11.455 0.589 -4.530) 12.332 7.869 ( 0.343 -0.054 2.327) 2.353 8.202 ( 1.801 0.533 2.348) 3.007 8.369 ( 4.101 0.833 0.575) 4.224 8.702 ( 1.844 -3.067 0.836) 3.675 9.220 ( -4.694 1.177 -4.655) 6.715 9.715 ( 0.550 3.575 6.061) 7.058 10.044 ( 3.361 -5.022 -6.023) 8.532 10.288 ( 5.511 -8.761 22.889) 25.120 10.383 ( -1.857 0.087 -18.027) 18.123 10.729 ( 1.524 0.973 -1.709) 2.489 11.009 ( 1.727 -2.920 10.209) 10.758 11.711 ( -3.305 1.300 7.194) 8.023 11.959 ( -1.993 -7.987 -13.936) 16.186 12.078 ( 6.776 0.394 -9.500) 11.675 12.545 ( -4.777 -2.271 18.092) 18.850 12.990 ( -2.028 2.238 0.927) 3.159 14.607 ( 8.851 4.126 0.172) 9.767 15.129 ( 1.956 0.393 1.043) 2.252 15.301 ( 0.300 4.815 11.435) 12.411 15.593 ( -2.768 -2.746 2.416) 4.587 19.954 ( -1.896 0.278 7.014) 7.271 20.000 ( 4.715 2.586 13.380) 14.421 20.436 ( 2.793 -4.011 -2.685) 5.577 20.593 ( -6.907 -1.603 -2.643) 7.567 21.990 ( 7.670 0.696 -0.580) 7.724 22.147 ( 4.124 -1.791 6.481) 7.888 22.468 ( -1.559 4.307 -2.705) 5.320 23.062 ( -6.448 10.633 -7.086) 14.312 23.333 ( 1.207 1.748 -2.033) 2.941 23.371 ( 0.122 -1.571 2.049) 2.585 23.666 ( 4.196 -1.031 1.389) 4.538 24.249 ( -11.653 -7.936 -23.039) 27.010 ======================= Grid point 97 (44/128) ======================= q-point: (-0.14 -0.14 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -11.298 -0.000 23.681) 26.238 0.751 ( -21.582 -0.000 9.893) 23.742 1.448 ( -44.099 -0.000 8.790) 44.966 1.885 ( -7.528 -0.000 3.425) 8.270 2.321 ( 1.454 0.000 -0.843) 1.681 2.389 ( -0.839 -0.000 4.710) 4.784 2.560 ( -6.526 -0.000 -2.791) 7.098 2.775 ( 12.796 0.000 -5.014) 13.743 2.990 ( -4.928 -0.000 12.270) 13.223 3.180 ( 0.608 0.000 2.388) 2.465 3.281 ( 2.862 0.000 -3.544) 4.555 3.413 ( 2.598 0.000 -0.289) 2.614 3.555 ( 2.713 0.000 8.538) 8.958 3.735 ( -5.374 -0.000 2.766) 6.044 4.206 ( -8.572 -0.000 -0.261) 8.576 4.229 ( -0.859 -0.000 0.072) 0.862 5.005 ( 5.722 0.000 3.251) 6.581 5.096 ( -6.873 -0.000 -7.196) 9.951 5.668 ( 5.273 0.000 -12.994) 14.023 6.141 ( 11.445 0.000 -5.548) 12.719 6.157 ( -4.498 -0.000 -3.841) 5.915 6.398 ( 9.799 0.000 -4.983) 10.993 6.683 ( 5.470 0.000 -9.059) 10.582 7.042 ( -20.282 -0.000 -22.354) 30.184 7.132 ( -2.794 -0.000 -2.375) 3.667 7.190 ( -6.230 -0.000 -2.835) 6.845 7.475 ( -8.509 -0.000 1.619) 8.661 7.494 ( 19.999 0.000 1.965) 20.095 7.912 ( 2.927 0.000 9.086) 9.546 8.234 ( 0.057 0.000 0.077) 0.096 8.455 ( 4.208 0.000 4.933) 6.484 8.671 ( -1.312 -0.000 -3.158) 3.420 9.161 ( -2.603 -0.000 -3.489) 4.352 9.811 ( 0.916 0.000 1.130) 1.455 9.928 ( -4.531 -0.000 -1.862) 4.899 10.330 ( 1.646 0.000 -18.332) 18.405 10.455 ( 19.649 0.000 42.900) 47.186 10.764 ( 1.073 0.000 -0.267) 1.106 11.030 ( 1.133 0.000 5.234) 5.355 11.686 ( -4.537 -0.000 5.651) 7.247 11.838 ( 0.770 0.000 -9.981) 10.010 12.168 ( 8.085 0.000 -4.441) 9.224 12.525 ( -2.601 -0.000 22.752) 22.900 12.976 ( -2.241 -0.000 -1.832) 2.894 14.757 ( 7.241 0.000 -2.062) 7.529 15.181 ( 3.621 0.000 0.076) 3.622 15.463 ( 6.442 0.000 13.875) 15.297 15.489 ( -5.515 -0.000 1.366) 5.682 19.944 ( -2.337 -0.000 5.410) 5.893 20.268 ( 20.855 0.000 33.488) 39.452 20.409 ( 2.165 0.000 -3.442) 4.066 20.488 ( -4.768 -0.000 -2.053) 5.191 22.097 ( 6.449 0.000 -0.885) 6.509 22.183 ( 0.181 0.000 6.304) 6.306 22.510 ( 1.360 0.000 -1.728) 2.199 22.983 ( -21.301 -0.000 -37.711) 43.311 23.339 ( -1.320 -0.000 2.286) 2.640 23.385 ( 3.098 0.000 -0.842) 3.210 23.703 ( 3.021 0.000 -0.257) 3.032 23.866 ( -15.436 -0.000 -13.505) 20.510 ======================= Grid point 98 (45/128) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.762 0.000 21.727) 21.740 1.007 ( 1.746 0.000 23.717) 23.782 1.775 ( -2.903 -0.000 0.473) 2.942 2.057 ( 3.894 0.000 16.634) 17.084 2.247 ( 2.085 0.000 10.618) 10.821 2.361 ( 1.794 0.000 0.012) 1.794 2.570 ( -0.690 -0.000 10.772) 10.794 2.844 ( -0.458 -0.000 -4.828) 4.849 2.880 ( -0.063 -0.000 -9.832) 9.832 3.219 ( 2.718 0.000 -4.878) 5.584 3.371 ( -3.517 -0.000 4.201) 5.478 3.434 ( 1.288 0.000 2.814) 3.095 3.755 ( -3.658 -0.000 6.950) 7.854 3.780 ( -8.696 -0.000 14.366) 16.793 3.906 ( -3.544 -0.000 4.036) 5.371 4.126 ( 3.573 0.000 2.515) 4.369 4.685 ( 0.707 0.000 1.341) 1.516 5.330 ( 2.240 0.000 1.379) 2.630 5.408 ( -5.574 -0.000 7.017) 8.962 5.977 ( 1.433 0.000 -5.339) 5.528 6.002 ( -0.925 -0.000 -13.016) 13.049 6.414 ( -2.663 -0.000 -13.104) 13.372 6.600 ( 9.063 0.000 -5.868) 10.797 6.631 ( -0.414 -0.000 1.036) 1.116 6.873 ( 1.938 0.000 -4.798) 5.175 7.186 ( 1.678 0.000 2.203) 2.769 7.461 ( -0.079 -0.000 4.313) 4.314 7.849 ( -9.059 -0.000 -0.131) 9.060 8.177 ( 7.399 0.000 0.950) 7.459 8.191 ( -0.031 -0.000 -9.005) 9.005 8.470 ( -0.949 -0.000 6.839) 6.905 8.792 ( 1.020 0.000 6.773) 6.850 9.153 ( 2.033 0.000 1.431) 2.486 9.428 ( -4.319 -0.000 -14.549) 15.177 9.674 ( -2.698 -0.000 -6.165) 6.730 10.273 ( 7.918 0.000 -9.747) 12.558 10.615 ( 0.997 0.000 0.851) 1.311 10.979 ( -3.917 -0.000 0.764) 3.991 11.259 ( -0.217 -0.000 3.457) 3.464 11.830 ( -1.805 -0.000 8.377) 8.569 12.050 ( 6.690 0.000 0.826) 6.741 12.513 ( 9.704 0.000 7.740) 12.413 12.658 ( -4.467 -0.000 -13.104) 13.845 13.229 ( 2.220 0.000 4.414) 4.941 14.688 ( -14.427 -0.000 0.275) 14.429 15.100 ( -12.874 -0.000 5.733) 14.093 15.256 ( 1.172 0.000 -0.980) 1.528 15.410 ( -0.948 -0.000 0.839) 1.266 19.992 ( -3.862 -0.000 5.003) 6.320 20.340 ( 2.203 0.000 -2.146) 3.075 20.602 ( 7.972 0.000 3.243) 8.606 20.803 ( -34.923 -0.000 -0.877) 34.934 22.136 ( -8.758 -0.000 0.369) 8.766 22.139 ( 31.948 0.000 -0.882) 31.960 22.278 ( 4.760 0.000 2.216) 5.251 22.549 ( 0.573 0.000 -0.079) 0.578 23.329 ( -2.714 -0.000 1.333) 3.024 23.626 ( 2.755 0.000 -2.955) 4.040 23.690 ( -0.911 -0.000 -1.801) 2.018 23.944 ( 15.916 0.000 -2.801) 16.161 ======================= Grid point 99 (46/128) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 6.712 -3.024 22.187) 23.377 1.217 ( 15.115 -6.416 16.740) 23.449 1.784 ( -0.194 -1.935 -0.802) 2.103 2.018 ( -6.632 -1.233 -2.612) 7.234 2.337 ( 5.800 3.988 3.134) 7.705 2.495 ( 7.165 -4.414 3.603) 9.154 2.588 ( -3.616 2.452 -3.232) 5.435 2.787 ( 1.149 -2.960 8.638) 9.203 3.006 ( 6.058 -7.911 3.073) 10.427 3.236 ( 1.871 -0.245 1.093) 2.180 3.399 ( 3.383 -4.691 -0.474) 5.803 3.439 ( -0.034 1.202 5.666) 5.792 3.670 ( -6.051 3.521 17.230) 18.598 3.788 ( -2.820 -0.969 6.896) 7.513 3.893 ( -3.767 -4.302 7.049) 9.077 4.206 ( 3.086 -2.557 2.635) 4.797 4.719 ( 6.096 3.628 -1.897) 7.343 5.346 ( -4.330 1.069 8.317) 9.438 5.373 ( 2.997 -0.172 -0.324) 3.019 5.860 ( -7.754 4.940 -15.778) 18.261 5.982 ( 1.530 -1.035 -7.904) 8.117 6.283 ( -3.347 7.520 -7.618) 11.216 6.586 ( 4.815 3.399 -6.908) 9.081 6.805 ( 5.212 -7.731 -1.429) 9.432 6.888 ( -1.134 -2.512 -1.629) 3.201 7.219 ( 1.118 -1.416 1.007) 2.066 7.485 ( 2.551 1.524 1.946) 3.552 7.726 ( -9.254 -2.788 0.000) 9.665 8.134 ( -1.255 2.311 -12.716) 12.985 8.214 ( -0.213 1.566 0.717) 1.736 8.505 ( 2.095 -0.042 10.523) 10.730 8.774 ( -0.348 5.116 2.252) 5.600 9.187 ( 2.521 0.689 1.999) 3.291 9.386 ( -0.516 -5.094 -11.250) 12.360 9.629 ( -2.224 -0.647 -5.674) 6.129 10.341 ( 5.936 -1.035 -14.720) 15.905 10.635 ( 4.223 3.640 7.517) 9.359 10.836 ( -5.467 9.521 4.816) 11.989 11.364 ( 0.670 -10.587 1.111) 10.666 11.794 ( -2.345 4.180 7.563) 8.953 12.079 ( -0.971 1.225 2.095) 2.614 12.488 ( -6.676 2.719 -12.828) 14.715 12.710 ( 8.913 -0.976 7.569) 11.734 13.153 ( -10.863 1.496 0.167) 10.967 14.460 ( -10.654 1.791 8.910) 14.004 15.057 ( -0.765 -1.498 6.128) 6.355 15.242 ( -1.746 0.213 -0.456) 1.817 15.467 ( 1.922 -4.350 -0.197) 4.760 19.961 ( -2.252 0.005 4.688) 5.201 20.352 ( -3.038 3.738 3.985) 6.252 20.432 ( -9.894 -0.353 2.415) 10.190 20.756 ( 5.522 -2.907 3.891) 7.354 21.992 ( -8.121 2.218 -1.872) 8.624 22.251 ( 2.614 3.353 3.223) 5.335 22.379 ( 8.939 7.666 -1.802) 11.913 22.664 ( 4.061 -7.919 -4.001) 9.757 23.295 ( -2.119 0.336 0.813) 2.294 23.593 ( 0.780 2.659 -2.138) 3.500 23.660 ( -4.197 0.637 0.053) 4.246 24.208 ( 16.101 -3.042 -11.874) 20.236 ======================= Grid point 100 (47/128) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 9.386 -4.552 19.042) 21.712 1.589 ( 14.115 -6.564 10.181) 18.600 1.737 ( -3.018 3.993 -1.800) 5.319 1.962 ( -5.376 -2.136 -1.682) 6.025 2.337 ( -0.186 4.784 -0.557) 4.819 2.433 ( -0.844 2.157 -0.082) 2.317 2.690 ( 7.497 -5.247 -2.185) 9.408 2.905 ( 1.869 -6.147 -1.624) 6.627 3.118 ( 5.441 3.793 -2.560) 7.110 3.355 ( -1.330 -3.631 4.754) 6.128 3.443 ( 3.019 -2.670 5.202) 6.580 3.529 ( -4.455 -1.558 8.510) 9.731 3.688 ( -0.689 -1.692 19.253) 19.340 3.774 ( 4.853 -2.866 14.725) 15.767 3.938 ( -3.238 -4.597 7.458) 9.340 4.324 ( 4.350 -6.385 3.081) 8.318 4.705 ( 4.837 7.377 -2.003) 9.046 5.272 ( -7.975 0.161 6.744) 10.446 5.433 ( 4.607 1.548 -5.177) 7.100 5.581 ( -9.663 6.048 -16.008) 19.652 6.002 ( -0.873 -3.900 -9.216) 10.045 6.097 ( 2.054 11.993 -4.766) 13.067 6.578 ( 1.771 1.226 -8.523) 8.791 6.895 ( -3.756 -3.123 1.231) 5.037 6.954 ( 3.232 -4.836 0.728) 5.862 7.282 ( 2.703 -2.869 0.272) 3.951 7.483 ( 1.819 2.512 -2.305) 3.865 7.665 ( -7.375 -2.902 -2.841) 8.419 8.038 ( 0.100 3.552 -7.077) 7.919 8.176 ( -2.954 -0.667 -2.031) 3.647 8.548 ( -1.093 2.100 6.652) 7.060 8.696 ( 3.186 4.784 1.357) 5.905 9.213 ( 2.198 0.756 0.282) 2.341 9.469 ( 1.428 -6.719 -6.791) 9.660 9.613 ( 0.893 -1.399 -2.559) 3.050 10.359 ( 1.723 -0.794 -19.526) 19.618 10.614 ( -4.867 10.197 7.353) 13.481 10.698 ( 4.930 2.198 10.665) 11.954 11.547 ( 3.225 -9.394 0.171) 9.933 11.695 ( -2.770 7.126 9.007) 11.815 12.028 ( -3.467 1.415 0.772) 3.823 12.285 ( -7.336 5.194 -15.137) 17.605 12.855 ( 5.681 -0.550 11.089) 12.472 12.981 ( -11.967 -1.780 0.971) 12.138 14.402 ( -0.633 0.639 7.279) 7.335 15.102 ( 0.233 -2.003 5.154) 5.535 15.218 ( -2.028 -0.931 0.201) 2.240 15.557 ( 2.278 -3.535 -0.193) 4.210 19.963 ( -0.229 -0.642 5.363) 5.406 20.206 ( -8.888 1.082 8.446) 12.308 20.454 ( 5.735 1.235 -0.664) 5.903 20.855 ( 2.827 0.429 5.049) 5.802 21.857 ( -4.521 1.717 -3.684) 6.080 22.250 ( 0.068 0.382 3.941) 3.960 22.338 ( -1.132 3.212 -3.309) 4.748 22.784 ( 3.453 -2.867 -3.991) 6.005 23.271 ( -1.135 -0.015 0.695) 1.331 23.576 ( -0.835 2.498 -0.595) 2.700 23.580 ( -3.008 -0.590 0.794) 3.166 24.357 ( 9.102 1.496 -13.292) 16.179 ======================= Grid point 101 (48/128) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -9.203 8.773 0.936) 12.749 1.669 ( 10.023 -5.019 14.193) 18.085 1.829 ( -8.990 5.103 1.735) 10.481 1.952 ( 11.903 -6.458 6.146) 14.871 2.281 ( 2.003 2.357 3.108) 4.385 2.456 ( 0.180 -1.800 0.863) 2.004 2.846 ( 5.409 -4.143 -3.552) 7.683 2.971 ( 2.617 1.560 -3.326) 4.510 3.115 ( 0.987 2.182 -6.580) 7.002 3.339 ( -6.134 -0.196 6.101) 8.654 3.415 ( -4.552 1.369 7.353) 8.756 3.591 ( -7.832 4.825 15.586) 18.099 3.611 ( 3.476 -4.508 2.744) 6.320 3.883 ( 0.027 4.162 8.663) 9.611 4.174 ( 6.304 -11.123 19.608) 23.409 4.453 ( -3.098 -2.204 -0.093) 3.803 4.715 ( 10.341 -0.058 3.957) 11.073 5.119 ( -16.535 0.611 0.781) 16.565 5.297 ( -1.080 1.700 -14.038) 14.182 5.540 ( 5.660 0.492 -5.204) 7.704 5.958 ( 0.962 3.661 -4.196) 5.651 6.060 ( 6.266 0.596 -8.461) 10.546 6.548 ( -0.919 0.046 -8.874) 8.921 6.876 ( -7.828 -5.222 -2.502) 9.737 7.076 ( 5.823 -2.460 5.467) 8.357 7.353 ( 2.449 -0.902 0.747) 2.714 7.450 ( 1.007 3.596 -6.113) 7.164 7.563 ( -6.457 -0.011 -5.872) 8.728 8.013 ( 1.516 0.966 0.222) 1.812 8.156 ( -1.171 -1.940 -2.139) 3.116 8.454 ( -2.372 5.262 1.280) 5.912 8.744 ( 3.837 -0.203 2.643) 4.663 9.215 ( 0.240 1.766 -0.435) 1.834 9.539 ( 0.220 -4.705 -7.216) 8.617 9.700 ( 5.547 -3.176 1.661) 6.604 10.310 ( -0.096 1.970 -18.611) 18.715 10.447 ( -4.666 2.582 2.803) 6.025 10.778 ( 5.570 2.709 11.137) 12.744 11.581 ( -1.741 7.614 11.939) 14.267 11.717 ( 3.136 -6.829 1.015) 7.583 11.963 ( -0.412 2.486 -2.115) 3.289 12.055 ( -6.700 6.003 -14.940) 17.440 12.883 ( -8.466 -4.189 -0.652) 9.468 12.954 ( 2.806 0.461 13.166) 13.469 14.436 ( 2.502 -0.574 5.293) 5.883 15.140 ( 0.243 -0.791 3.159) 3.265 15.222 ( -2.412 -3.475 2.094) 4.720 15.628 ( 2.089 -1.790 0.232) 2.761 20.009 ( 1.655 -1.883 6.684) 7.139 20.126 ( -5.988 -0.553 7.517) 9.626 20.524 ( 9.063 3.215 1.275) 9.701 20.827 ( -3.402 4.458 3.567) 6.646 21.826 ( 2.467 -1.074 -3.000) 4.030 22.236 ( -11.569 -4.362 -4.871) 13.289 22.271 ( 1.500 1.159 2.666) 3.271 22.829 ( 2.416 0.642 -3.712) 4.476 23.269 ( -0.126 -0.648 0.984) 1.185 23.498 ( -3.708 1.442 1.625) 4.298 23.604 ( 0.960 -2.020 0.151) 2.241 24.352 ( 4.363 6.132 -13.134) 15.137 ======================= Grid point 102 (49/128) ======================= q-point: (-0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -11.272 7.665 8.277) 15.947 1.591 ( -7.602 11.636 10.851) 17.633 1.878 ( 5.609 -2.830 6.644) 9.145 2.213 ( 7.576 -6.640 2.388) 10.353 2.302 ( 1.416 -0.322 2.858) 3.205 2.457 ( -3.570 -0.862 1.257) 3.882 2.816 ( -6.102 11.860 -2.056) 13.495 2.984 ( -0.106 3.855 1.169) 4.029 2.999 ( 2.226 3.537 -1.556) 4.459 3.259 ( -6.602 -0.046 8.299) 10.604 3.370 ( -1.534 1.398 -1.007) 2.307 3.476 ( -8.682 0.448 13.070) 15.697 3.766 ( 1.523 -7.167 8.098) 10.921 3.835 ( 5.848 7.841 4.764) 10.880 4.265 ( -4.485 3.942 0.241) 5.976 4.378 ( -8.568 -0.442 3.910) 9.429 4.920 ( -13.018 -4.075 -2.013) 13.789 4.947 ( 9.410 -5.328 9.783) 14.583 5.330 ( 5.034 -3.407 -6.484) 8.887 5.624 ( 6.863 -4.140 -8.480) 11.668 5.961 ( 3.529 -0.537 -3.440) 4.957 6.146 ( 9.277 -0.737 -6.637) 11.430 6.498 ( -2.133 -0.310 -10.579) 10.796 6.811 ( -10.000 -4.965 -5.847) 12.603 7.184 ( 1.869 0.767 -0.677) 2.131 7.345 ( -4.632 0.237 -0.751) 4.698 7.427 ( 11.685 5.197 -0.273) 12.792 7.492 ( -2.331 -0.429 -1.591) 2.854 8.025 ( -0.787 -1.411 1.004) 1.902 8.199 ( 2.444 -2.113 2.764) 4.252 8.382 ( 0.011 2.264 0.308) 2.284 8.777 ( -0.109 0.143 0.088) 0.200 9.166 ( -1.748 2.560 -0.168) 3.105 9.583 ( 0.252 -3.870 -9.334) 10.107 9.838 ( 6.646 -2.950 2.851) 7.810 10.159 ( -4.105 6.422 -13.120) 15.174 10.465 ( 1.195 -5.841 -3.365) 6.846 10.834 ( 3.196 1.750 8.723) 9.453 11.507 ( 0.944 7.004 14.125) 15.795 11.797 ( -3.219 -2.423 -7.160) 8.216 11.860 ( -4.720 2.825 -4.093) 6.856 11.981 ( 11.417 3.152 -1.945) 12.003 12.840 ( -6.580 -4.815 -4.465) 9.296 13.011 ( 1.325 1.506 15.857) 15.983 14.516 ( 3.382 -2.775 3.698) 5.729 15.156 ( 0.649 0.160 1.705) 1.831 15.257 ( -3.892 -5.720 3.316) 7.672 15.668 ( 1.735 0.082 0.099) 1.740 20.079 ( -2.801 -1.149 5.979) 6.702 20.114 ( 0.972 -3.872 8.270) 9.183 20.639 ( 14.271 4.122 5.944) 16.000 20.681 ( -5.727 5.683 0.694) 8.098 21.920 ( 5.219 -3.691 -0.612) 6.422 22.083 ( -16.725 -5.293 -10.621) 20.507 22.289 ( -2.283 -2.148 4.116) 5.174 22.811 ( 1.692 4.177 -4.067) 6.071 23.292 ( 0.757 -1.374 1.414) 2.112 23.446 ( -2.492 0.247 1.558) 2.950 23.660 ( 1.248 -3.010 1.313) 3.513 24.230 ( 2.056 10.794 -12.841) 16.900 ======================= Grid point 103 (50/128) ======================= q-point: (-0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -11.126 3.538 17.051) 20.665 1.367 ( -6.211 11.670 18.584) 22.806 1.937 ( -0.887 1.191 2.602) 2.996 2.184 ( -10.261 9.376 6.514) 15.351 2.319 ( -4.064 2.051 -2.181) 5.048 2.433 ( -2.209 -0.293 2.975) 3.717 2.615 ( 3.536 2.281 6.779) 7.979 2.826 ( -1.571 10.914 6.865) 12.989 3.029 ( 2.149 1.953 -5.512) 6.230 3.225 ( -1.605 -0.246 3.923) 4.245 3.328 ( -1.751 0.005 -1.744) 2.472 3.430 ( -4.966 -2.852 7.839) 9.708 3.775 ( -3.019 0.298 12.446) 12.811 3.954 ( 7.218 -0.358 3.068) 7.851 4.091 ( -8.180 4.521 -8.477) 12.618 4.233 ( -8.277 3.269 4.097) 9.797 4.815 ( -11.636 -4.623 -1.910) 12.666 5.152 ( 6.804 -3.196 6.842) 10.165 5.420 ( 2.725 -2.173 -1.053) 3.641 5.792 ( 5.009 -8.757 -9.841) 14.093 6.014 ( 1.287 -2.397 -4.158) 4.969 6.299 ( 11.649 -1.072 -3.881) 12.325 6.455 ( 1.080 -0.868 -12.938) 13.012 6.724 ( -8.189 -3.720 -5.594) 10.592 7.067 ( -3.210 7.508 -9.438) 12.480 7.261 ( -5.084 2.213 2.437) 6.057 7.484 ( -1.195 -1.352 1.404) 2.286 7.623 ( 18.614 1.518 5.008) 19.336 8.044 ( -2.246 -4.115 -0.747) 4.747 8.252 ( 0.285 1.501 7.084) 7.247 8.398 ( 1.395 -3.802 -3.536) 5.376 8.749 ( -1.418 1.620 2.329) 3.172 9.121 ( -0.499 0.917 0.593) 1.201 9.592 ( -1.588 -2.467 -11.623) 11.988 9.957 ( -5.068 6.705 -11.066) 13.896 9.993 ( 7.370 -3.796 1.109) 8.364 10.559 ( 0.722 -5.283 -4.746) 7.139 10.884 ( 0.746 -2.249 5.961) 6.415 11.455 ( 2.082 9.266 7.951) 12.385 11.731 ( 0.978 -0.352 -5.864) 5.956 11.838 ( -0.104 -0.683 4.707) 4.757 12.141 ( 14.658 1.360 1.975) 14.853 12.803 ( -5.766 -4.122 -7.725) 10.484 13.053 ( 1.658 1.694 17.221) 17.384 14.627 ( 2.896 -4.867 1.662) 5.902 15.171 ( 0.803 -0.360 1.547) 1.780 15.289 ( -6.262 -6.657 2.568) 9.493 15.664 ( -0.272 2.404 -1.790) 3.010 20.059 ( -4.236 -1.183 6.166) 7.574 20.238 ( 2.779 -4.919 4.613) 7.293 20.529 ( -3.751 4.336 0.159) 5.736 20.903 ( 25.508 0.178 13.893) 29.047 21.813 ( -30.599 -9.111 -14.527) 35.076 22.075 ( 8.266 -1.736 0.251) 8.450 22.285 ( -5.012 -2.409 3.771) 6.719 22.730 ( 1.691 8.085 -4.241) 9.285 23.335 ( 0.493 -2.086 1.952) 2.899 23.431 ( -0.232 -0.619 1.311) 1.468 23.730 ( 0.977 -3.240 2.088) 3.977 24.032 ( 2.631 14.745 -10.863) 18.502 ======================= Grid point 104 (51/128) ======================= q-point: (-0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -6.511 -0.408 22.229) 23.167 1.139 ( -11.760 10.558 20.345) 25.762 1.861 ( -4.160 3.292 3.114) 6.151 1.953 ( 0.748 10.017 25.341) 27.259 2.269 ( -4.461 -3.118 -3.371) 6.402 2.384 ( -0.980 3.189 1.056) 3.499 2.613 ( -1.573 6.615 10.720) 12.695 2.779 ( 1.575 -3.667 -3.145) 5.081 2.981 ( 1.843 5.660 -7.222) 9.359 3.216 ( 1.736 1.737 -4.337) 4.984 3.342 ( -2.076 -4.851 5.480) 7.608 3.435 ( -1.384 -0.337 3.663) 3.930 3.785 ( -6.298 -3.037 14.260) 15.882 3.892 ( -6.504 4.408 1.227) 7.952 3.975 ( -4.245 1.030 -2.868) 5.226 4.121 ( 0.559 4.568 2.703) 5.337 4.719 ( -8.093 -2.271 0.343) 8.412 5.273 ( 4.191 -1.185 2.948) 5.259 5.450 ( -3.431 -1.848 2.600) 4.685 5.926 ( 2.493 -5.818 -7.062) 9.483 6.026 ( -0.141 -0.706 -7.399) 7.434 6.442 ( 8.278 -1.776 -7.469) 11.290 6.467 ( 0.348 -2.268 -11.356) 11.585 6.687 ( -0.411 0.558 0.172) 0.714 6.900 ( 0.188 5.844 -8.773) 10.543 7.185 ( -2.139 1.346 2.762) 3.744 7.473 ( -2.029 0.298 2.626) 3.332 7.860 ( 11.347 0.899 5.711) 12.735 8.073 ( -1.355 -4.959 -3.576) 6.262 8.220 ( -0.110 2.578 -0.256) 2.593 8.460 ( -1.688 -3.930 -0.337) 4.290 8.743 ( 1.312 0.358 7.661) 7.781 9.126 ( 1.156 -0.102 1.086) 1.589 9.537 ( -3.832 -0.449 -14.167) 14.683 9.771 ( -4.792 4.001 -7.891) 10.061 10.158 ( 8.909 -2.510 -3.386) 9.856 10.601 ( -1.019 -2.949 -4.023) 5.091 10.953 ( -2.880 -6.822 2.455) 7.802 11.339 ( 1.558 10.442 1.897) 10.727 11.795 ( -0.226 -3.686 6.951) 7.871 11.910 ( 9.876 0.556 2.140) 10.120 12.337 ( 13.465 0.899 4.894) 14.355 12.747 ( -5.480 -2.598 -10.750) 12.343 13.129 ( 4.717 0.195 14.728) 15.467 14.729 ( -0.110 -4.841 -0.730) 4.897 15.202 ( -1.099 -3.073 1.553) 3.614 15.277 ( -9.609 -5.199 0.440) 10.935 15.544 ( -5.688 7.356 -3.305) 9.869 20.030 ( -4.401 -0.642 5.816) 7.322 20.322 ( 0.846 -1.583 -1.731) 2.493 20.493 ( 3.322 -0.393 2.450) 4.147 21.360 ( -35.640 -1.738 -11.750) 37.567 21.477 ( 34.052 -11.144 11.886) 37.749 22.203 ( 5.659 -1.242 2.049) 6.145 22.237 ( -7.177 -1.334 2.371) 7.676 22.613 ( 2.576 9.501 -2.163) 10.079 23.354 ( -2.298 -1.145 1.965) 3.233 23.495 ( 5.052 -3.820 0.394) 6.346 23.765 ( -3.055 0.233 0.319) 3.081 23.863 ( 9.176 11.806 -4.545) 15.628 ======================= Grid point 106 (52/128) ======================= q-point: ( 0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 12.942 0.000 18.882) 22.891 1.466 ( 19.624 0.000 12.663) 23.355 1.822 ( 6.128 0.000 -1.481) 6.305 1.920 ( -4.329 -0.000 -2.310) 4.907 2.404 ( 0.919 0.000 0.255) 0.953 2.506 ( -1.355 -0.000 -2.121) 2.517 2.677 ( 9.992 0.000 -4.148) 10.819 2.721 ( -3.859 -0.000 -10.815) 11.483 3.156 ( 14.978 0.000 28.154) 31.891 3.283 ( 1.086 0.000 -0.515) 1.202 3.379 ( 1.667 0.000 2.341) 2.874 3.438 ( -2.019 -0.000 3.579) 4.109 3.655 ( -7.555 -0.000 24.556) 25.692 3.805 ( 2.445 0.000 7.748) 8.124 3.838 ( -2.784 -0.000 9.577) 9.973 4.255 ( 5.231 0.000 0.382) 5.245 4.825 ( 4.767 0.000 -4.452) 6.522 5.286 ( -7.581 -0.000 7.489) 10.656 5.449 ( 7.302 0.000 -1.238) 7.406 5.722 ( -10.247 -0.000 -21.665) 23.966 5.904 ( -4.460 -0.000 -8.531) 9.626 6.297 ( -2.600 -0.000 -4.477) 5.178 6.696 ( -3.480 -0.000 -6.309) 7.205 6.712 ( 5.319 0.000 -4.606) 7.036 6.892 ( 3.098 0.000 3.511) 4.682 7.223 ( 2.391 0.000 -0.937) 2.568 7.552 ( 3.554 0.000 -4.158) 5.470 7.580 ( -7.515 -0.000 3.209) 8.172 8.123 ( 1.290 0.000 -9.502) 9.590 8.143 ( -9.011 -0.000 -3.105) 9.531 8.569 ( 2.340 0.000 10.746) 10.998 8.824 ( -0.059 -0.000 -0.238) 0.245 9.254 ( 3.566 0.000 4.246) 5.545 9.311 ( 2.247 0.000 -10.068) 10.315 9.593 ( -0.184 -0.000 -4.055) 4.059 10.338 ( 2.689 0.000 -19.039) 19.227 10.732 ( 2.412 0.000 8.146) 8.496 10.934 ( -0.367 -0.000 6.156) 6.167 11.251 ( -1.995 -0.000 9.980) 10.178 11.810 ( -2.639 -0.000 5.277) 5.900 12.043 ( -4.889 -0.000 3.182) 5.833 12.370 ( -6.981 -0.000 -15.787) 17.262 12.848 ( 7.527 0.000 10.168) 12.651 12.948 ( -16.616 -0.000 0.318) 16.619 14.411 ( -1.901 -0.000 7.594) 7.828 15.068 ( 0.797 0.000 5.909) 5.963 15.199 ( -3.449 -0.000 -0.201) 3.455 15.498 ( 5.250 0.000 0.568) 5.281 19.954 ( -0.696 -0.000 4.782) 4.832 20.226 ( -11.777 -0.000 6.740) 13.569 20.475 ( 7.964 0.000 0.247) 7.968 20.859 ( 6.565 0.000 7.083) 9.658 21.890 ( -6.643 -0.000 -3.671) 7.590 22.210 ( -7.017 -0.000 2.824) 7.564 22.465 ( -6.061 -0.000 -3.952) 7.236 22.716 ( 11.725 0.000 -5.109) 12.790 23.273 ( -1.485 -0.000 0.843) 1.708 23.565 ( -4.174 -0.000 -0.610) 4.218 23.626 ( -2.734 -0.000 -0.461) 2.773 24.385 ( 15.056 0.000 -14.549) 20.937 ======================= Grid point 107 (53/128) ======================= q-point: ( 0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 14.132 0.700 14.669) 20.381 1.763 ( 11.902 2.493 5.254) 13.247 1.843 ( 6.171 3.532 -1.330) 7.234 1.912 ( 2.852 0.226 2.270) 3.652 2.388 ( -0.117 2.129 -0.723) 2.252 2.480 ( 1.506 3.277 -0.320) 3.621 2.682 ( 1.630 -5.317 -5.293) 7.677 2.846 ( 6.613 -5.318 -6.151) 10.481 3.260 ( 2.243 4.368 2.126) 5.351 3.279 ( -6.209 -0.954 6.608) 9.117 3.410 ( -5.045 -1.361 6.068) 8.008 3.470 ( -1.043 -3.746 4.639) 6.053 3.719 ( -0.560 0.663 23.839) 23.855 3.902 ( 4.002 -1.547 12.483) 13.199 3.905 ( 10.837 -4.652 17.654) 21.230 4.336 ( 4.227 -1.510 -1.338) 4.684 4.822 ( 0.492 2.859 -0.824) 3.016 5.173 ( -9.509 2.005 3.814) 10.440 5.449 ( -7.661 6.592 -18.893) 21.426 5.561 ( 5.947 -0.085 -4.518) 7.469 5.841 ( -6.079 -5.068 -9.353) 12.252 6.215 ( -2.906 2.250 -4.494) 5.806 6.558 ( -6.238 2.536 -3.981) 7.822 6.773 ( -0.469 -1.548 -6.931) 7.117 6.991 ( 5.105 -2.696 5.025) 7.654 7.290 ( 4.795 -2.151 -2.916) 6.010 7.519 ( -1.034 0.557 3.057) 3.275 7.567 ( -0.077 0.068 -7.688) 7.689 7.988 ( -9.231 -0.934 -4.945) 10.513 8.130 ( 1.692 -0.399 -5.087) 5.376 8.604 ( 0.588 3.157 6.016) 6.819 8.792 ( 0.687 2.690 0.805) 2.891 9.272 ( 3.005 2.468 -0.845) 3.979 9.398 ( 3.773 -4.838 -5.169) 8.023 9.616 ( 3.093 -1.751 1.329) 3.795 10.306 ( 0.937 -0.247 -20.073) 20.096 10.690 ( -5.873 8.485 7.099) 12.526 10.883 ( 4.731 5.690 9.493) 12.036 11.390 ( -3.233 -13.329 11.059) 17.619 11.756 ( -2.907 3.547 5.390) 7.078 12.004 ( 0.098 0.343 0.368) 0.513 12.199 ( -6.804 3.097 -17.380) 18.919 12.761 ( -12.691 -3.113 -0.205) 13.069 12.969 ( 5.181 0.365 11.428) 12.553 14.425 ( 0.233 -0.197 5.706) 5.714 15.103 ( 0.639 -0.704 5.683) 5.762 15.160 ( -3.157 -1.303 -0.250) 3.424 15.584 ( 5.210 -0.877 0.507) 5.307 19.973 ( 0.644 -0.587 5.749) 5.814 20.117 ( -6.850 -0.107 5.841) 9.003 20.597 ( 10.338 1.418 1.016) 10.484 20.928 ( 0.861 1.932 7.384) 7.681 21.814 ( -1.368 0.163 -3.629) 3.881 22.110 ( -10.983 -2.557 1.638) 11.395 22.330 ( -7.345 1.416 -6.216) 9.725 22.842 ( 7.564 -0.027 -3.252) 8.233 23.262 ( -0.469 0.009 1.055) 1.154 23.512 ( -4.410 -0.903 1.201) 4.659 23.579 ( -2.185 0.806 0.178) 2.336 24.497 ( 10.164 3.083 -14.530) 17.998 ======================= Grid point 108 (54/128) ======================= q-point: ( 0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( -0.048 16.291 -2.491) 16.480 1.777 ( 5.127 2.352 5.341) 7.768 1.945 ( 10.735 2.950 11.690) 16.143 2.077 ( 11.013 -1.504 4.423) 11.963 2.344 ( -1.553 2.840 1.979) 3.794 2.457 ( 1.105 2.284 0.911) 2.696 2.823 ( 3.913 -7.976 -5.572) 10.487 2.974 ( 4.131 -3.651 -4.978) 7.428 3.169 ( -3.525 4.943 0.113) 6.072 3.266 ( -4.206 -1.067 6.759) 8.031 3.315 ( -10.357 -0.857 8.518) 13.437 3.519 ( -4.518 -4.968 8.077) 10.504 3.703 ( 0.547 6.558 15.332) 16.685 4.008 ( 7.696 1.296 5.191) 9.374 4.222 ( 6.950 -3.801 20.562) 22.036 4.363 ( -3.827 -1.252 -5.280) 6.640 4.815 ( -0.923 -1.563 6.194) 6.454 4.969 ( -7.833 6.214 0.279) 10.003 5.269 ( 0.499 1.119 -13.739) 13.793 5.620 ( 4.323 0.576 -4.471) 6.246 5.831 ( -4.032 -6.452 -6.477) 9.992 6.166 ( 1.282 -0.736 -7.853) 7.991 6.437 ( -7.980 -1.215 -3.165) 8.671 6.733 ( -2.919 -0.393 -10.106) 10.526 7.116 ( 3.622 -3.295 6.270) 7.955 7.342 ( 0.457 -0.122 -7.816) 7.830 7.529 ( 2.009 1.256 4.769) 5.325 7.547 ( 4.435 2.196 -3.768) 6.220 7.913 ( -5.685 -4.841 -5.062) 9.021 8.159 ( 2.810 -1.343 -3.061) 4.367 8.529 ( -0.725 6.557 1.033) 6.677 8.781 ( -0.842 0.950 3.378) 3.608 9.259 ( 1.216 3.274 -1.884) 3.969 9.487 ( 3.347 -2.818 -5.948) 7.384 9.735 ( 5.048 -3.976 5.251) 8.298 10.270 ( 1.978 -0.468 -19.374) 19.480 10.479 ( -5.475 8.727 5.865) 11.855 10.911 ( 2.803 3.072 6.821) 7.989 11.523 ( -9.540 -11.151 11.756) 18.803 11.689 ( -0.858 2.980 5.555) 6.363 11.996 ( -4.818 4.187 -17.483) 18.612 12.063 ( 9.423 1.719 -1.220) 9.656 12.673 ( -9.338 -5.821 -2.684) 11.327 13.050 ( 2.894 1.067 12.230) 12.613 14.452 ( -0.593 -1.544 5.555) 5.796 15.130 ( -1.668 -1.596 4.562) 5.113 15.153 ( -0.730 -1.519 0.612) 1.793 15.662 ( 4.240 -0.293 0.266) 4.259 20.024 ( 0.814 -2.006 7.319) 7.633 20.062 ( -3.680 -0.256 4.975) 6.193 20.728 ( 11.077 1.987 1.241) 11.322 20.863 ( -3.421 5.647 5.700) 8.722 21.822 ( -1.608 -1.634 -0.587) 2.366 21.985 ( -9.719 -2.609 -3.095) 10.528 22.220 ( -6.319 -2.238 -4.920) 8.315 22.911 ( 5.554 2.066 -1.773) 6.185 23.268 ( 0.562 -0.334 1.331) 1.482 23.463 ( -3.844 0.374 2.076) 4.385 23.567 ( -1.163 -2.248 0.910) 2.690 24.496 ( 6.520 6.881 -14.057) 16.955 ======================= Grid point 109 (55/128) ======================= q-point: (-0.43 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.565 16.982 3.103) 17.273 1.738 ( 0.977 10.748 10.864) 15.314 2.046 ( 7.772 7.200 4.246) 11.414 2.225 ( 0.055 -0.306 2.375) 2.395 2.322 ( 3.470 -4.315 4.124) 6.904 2.426 ( -1.425 2.758 0.029) 3.105 2.902 ( -1.408 6.918 -1.804) 7.287 2.992 ( -1.210 -2.150 -6.555) 7.004 3.070 ( -1.549 1.508 0.151) 2.168 3.195 ( -4.020 0.135 9.256) 10.092 3.289 ( -5.343 -4.914 8.242) 10.983 3.511 ( -4.253 6.276 21.196) 22.511 3.660 ( -2.644 -0.571 4.192) 4.989 4.093 ( 10.865 7.296 -1.633) 13.189 4.235 ( -6.518 1.344 -4.039) 7.784 4.287 ( -6.344 1.452 9.769) 11.738 4.692 ( -11.840 -0.985 1.528) 11.979 5.042 ( 8.703 -3.253 9.282) 13.133 5.314 ( 3.886 -4.650 -8.702) 10.604 5.659 ( 3.758 -1.056 -5.001) 6.344 5.873 ( -1.642 -6.369 -3.765) 7.579 6.234 ( 5.981 -4.340 -10.107) 12.521 6.359 ( -6.174 -3.677 -3.629) 8.050 6.660 ( -3.435 -0.945 -11.248) 11.799 7.191 ( 0.091 -0.605 -2.661) 2.730 7.297 ( -1.199 0.942 -3.564) 3.877 7.519 ( 0.616 3.819 5.235) 6.509 7.648 ( 11.642 0.451 4.519) 12.497 7.914 ( -3.173 -4.842 -5.048) 7.681 8.240 ( 4.768 -2.443 0.559) 5.387 8.424 ( -2.104 4.831 -1.200) 5.404 8.746 ( -3.938 -0.176 1.342) 4.165 9.198 ( -0.596 4.241 -0.894) 4.375 9.539 ( 2.554 -1.215 -7.432) 7.952 9.873 ( 2.954 -4.129 4.809) 6.993 10.189 ( -0.041 7.349 -13.779) 15.616 10.413 ( 1.511 -2.773 0.028) 3.158 10.896 ( -1.106 2.326 2.995) 3.950 11.546 ( -8.511 -5.605 15.548) 18.590 11.682 ( -0.325 -0.893 -4.038) 4.148 11.844 ( -0.990 2.812 -10.396) 10.815 12.216 ( 15.184 2.363 1.249) 15.417 12.637 ( -7.638 -6.705 -5.942) 11.773 13.097 ( 1.288 1.251 12.521) 12.650 14.489 ( -2.225 -3.891 5.763) 7.301 15.139 ( -2.970 -2.405 3.944) 5.492 15.174 ( 0.477 -0.896 1.197) 1.569 15.706 ( 2.525 0.861 -0.675) 2.752 20.026 ( -3.865 -1.051 4.966) 6.380 20.115 ( 2.236 -2.895 8.158) 8.940 20.680 ( -6.537 4.917 0.231) 8.184 20.933 ( 16.973 2.129 6.547) 18.316 21.662 ( -19.869 -1.463 -5.345) 20.627 22.021 ( 5.962 -2.685 0.553) 6.562 22.179 ( -5.277 -4.222 -3.204) 7.480 22.922 ( 3.780 4.834 -1.008) 6.218 23.293 ( 1.044 -0.749 1.654) 2.095 23.420 ( -2.022 0.062 1.232) 2.368 23.609 ( -0.895 -4.275 2.311) 4.942 24.404 ( 4.616 10.038 -14.014) 17.845 ======================= Grid point 110 (56/128) ======================= q-point: (-0.29 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 2.205 14.313 11.881) 18.732 1.552 ( -4.734 16.554 16.258) 23.680 2.011 ( 0.754 6.312 1.098) 6.451 2.155 ( -5.810 -1.235 -1.355) 6.093 2.307 ( -5.111 6.517 0.325) 8.289 2.481 ( 6.590 1.738 4.168) 7.989 2.736 ( 0.654 6.569 0.992) 6.676 2.925 ( -8.616 1.022 4.132) 9.610 3.036 ( -1.052 2.122 -1.410) 2.756 3.228 ( 2.887 -0.558 6.292) 6.946 3.336 ( -1.319 -3.083 7.395) 8.120 3.403 ( 1.796 8.696 12.535) 15.362 3.661 ( -6.815 -4.968 8.204) 11.766 3.978 ( -5.881 4.993 -12.583) 14.760 4.170 ( -0.203 7.460 5.307) 9.157 4.230 ( 1.530 2.322 6.948) 7.484 4.603 ( -7.682 -4.505 1.069) 8.969 5.211 ( 5.330 -2.657 5.721) 8.258 5.380 ( -1.236 -3.350 -3.548) 5.034 5.744 ( 3.977 -5.064 -4.821) 8.044 5.930 ( -1.960 -5.217 -3.655) 6.664 6.322 ( -0.162 -4.827 -10.298) 11.374 6.385 ( 1.824 -4.826 -8.489) 9.934 6.649 ( 4.445 -2.548 -5.825) 7.757 7.123 ( -0.328 5.778 -9.269) 10.928 7.245 ( -3.080 2.342 3.921) 5.509 7.498 ( 0.561 2.257 4.075) 4.692 7.863 ( 13.373 -2.069 6.932) 15.204 7.921 ( -3.061 -3.657 -4.139) 6.314 8.292 ( -4.037 2.516 0.465) 4.780 8.362 ( 2.942 -1.813 -2.338) 4.173 8.708 ( -3.924 -2.262 1.546) 4.786 9.145 ( 0.413 2.158 1.047) 2.434 9.545 ( 1.311 0.719 -9.735) 9.849 9.887 ( -6.541 1.241 -6.161) 9.071 10.120 ( 8.233 2.747 -0.121) 8.680 10.493 ( 1.417 -3.851 -3.823) 5.608 10.847 ( -4.195 -0.590 0.786) 4.308 11.559 ( -2.636 0.971 10.468) 10.839 11.649 ( -1.993 -3.548 -8.549) 9.468 11.871 ( 5.117 -2.317 2.044) 5.978 12.403 ( 15.219 2.786 3.565) 15.877 12.611 ( -6.736 -6.284 -9.272) 13.070 13.134 ( 0.752 0.203 11.493) 11.519 14.533 ( -5.210 -6.358 5.741) 10.027 15.133 ( -3.678 -0.981 5.036) 6.313 15.202 ( 0.729 -1.427 0.244) 1.621 15.690 ( -0.628 3.075 -2.576) 4.060 20.005 ( -3.473 -0.890 4.969) 6.128 20.218 ( 1.208 -4.112 7.382) 8.536 20.540 ( -3.823 3.219 0.733) 5.051 21.181 ( 1.331 -3.761 1.042) 4.124 21.404 ( -1.128 1.190 1.028) 1.935 22.121 ( -5.005 -5.343 3.195) 7.988 22.190 ( 5.401 -1.031 -2.907) 6.220 22.867 ( 1.831 7.276 -1.193) 7.597 23.317 ( -0.580 -0.878 1.725) 2.020 23.427 ( 1.587 -1.437 0.318) 2.164 23.669 ( -1.490 -4.560 2.920) 5.616 24.263 ( 5.217 11.797 -13.650) 18.780 ======================= Grid point 111 (57/128) ======================= q-point: (-0.14 0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 7.350 9.221 18.927) 22.300 1.267 ( -5.522 15.148 19.047) 24.955 1.885 ( -4.258 5.686 -0.645) 7.133 2.136 ( -6.708 -0.547 -3.029) 7.381 2.187 ( 6.396 3.144 8.590) 11.161 2.490 ( 5.140 6.615 2.840) 8.845 2.657 ( -6.789 -0.315 -3.206) 7.515 2.834 ( -0.584 7.627 12.967) 15.056 3.006 ( 1.762 -0.590 -3.897) 4.318 3.262 ( 1.887 4.283 3.067) 5.595 3.370 ( 5.410 3.396 6.386) 9.032 3.405 ( -0.141 -1.903 3.309) 3.819 3.661 ( -6.479 -3.728 11.495) 13.712 3.833 ( -4.488 0.482 -2.869) 5.348 4.031 ( -4.118 8.259 5.519) 10.753 4.224 ( 1.882 4.642 4.413) 6.676 4.614 ( -0.657 -4.531 1.122) 4.714 5.307 ( 2.442 -1.518 2.928) 4.103 5.377 ( -2.770 -1.424 1.990) 3.696 5.874 ( 1.699 -7.414 -5.978) 9.674 5.938 ( -1.452 -2.663 -6.783) 7.430 6.305 ( -7.304 -5.503 -12.405) 15.411 6.479 ( 6.860 -3.129 -8.053) 11.032 6.778 ( 7.419 -0.270 -0.272) 7.429 6.989 ( 0.353 7.854 -6.754) 10.365 7.207 ( 0.902 1.401 3.422) 3.806 7.473 ( -1.463 1.288 3.132) 3.689 7.873 ( -5.933 0.848 -1.492) 6.176 8.094 ( 8.898 -3.677 4.320) 10.553 8.185 ( -4.668 -1.037 -10.815) 11.825 8.438 ( 2.811 -1.013 6.893) 7.513 8.717 ( -2.573 -4.152 2.608) 5.537 9.149 ( 1.574 0.168 1.847) 2.433 9.494 ( 0.100 3.396 -11.464) 11.957 9.727 ( -5.681 2.958 -7.259) 9.681 10.253 ( 9.786 -1.100 -2.146) 10.079 10.537 ( -0.070 -3.301 -1.176) 3.505 10.813 ( -6.110 -4.490 1.504) 7.730 11.485 ( 1.395 7.608 -2.647) 8.175 11.717 ( -2.288 -7.123 6.956) 10.215 12.004 ( 5.405 -3.083 2.079) 6.560 12.544 ( 1.431 -0.689 -0.658) 1.719 12.593 ( 3.650 -1.663 -5.367) 6.701 13.182 ( -0.736 -2.171 6.528) 6.919 14.542 ( -10.808 -6.538 6.309) 14.119 15.095 ( -3.691 0.998 5.757) 6.911 15.234 ( 0.664 -1.327 -0.160) 1.492 15.578 ( -2.950 6.612 -2.986) 7.832 19.983 ( -3.214 -0.460 4.991) 5.954 20.298 ( -0.003 -3.360 3.358) 4.751 20.502 ( -2.663 -2.077 4.469) 5.602 20.912 ( -17.976 4.563 -4.040) 18.981 21.802 ( 25.263 -10.932 7.142) 28.438 22.093 ( -7.371 -4.085 0.071) 8.428 22.285 ( 5.476 0.248 0.886) 5.553 22.764 ( 0.944 8.063 -2.208) 8.413 23.314 ( -1.989 -0.741 1.150) 2.414 23.503 ( 4.027 -3.158 -0.637) 5.158 23.698 ( -3.682 -2.663 1.925) 4.935 24.158 ( 9.764 9.957 -11.995) 18.394 ======================= Grid point 114 (58/128) ======================= q-point: ( 0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 14.243 0.000 12.475) 18.934 1.897 ( 4.747 0.000 2.738) 5.480 2.007 ( 7.076 0.000 -8.533) 11.085 2.038 ( 12.997 0.000 7.684) 15.099 2.411 ( -0.380 -0.000 -0.503) 0.631 2.524 ( 4.610 0.000 -1.644) 4.894 2.617 ( -0.659 -0.000 -2.436) 2.523 2.914 ( 8.840 0.000 -3.968) 9.690 3.161 ( -10.392 -0.000 9.966) 14.398 3.220 ( -11.571 -0.000 8.892) 14.593 3.405 ( -2.706 -0.000 5.675) 6.287 3.407 ( -2.480 -0.000 -0.258) 2.493 3.820 ( 1.725 0.000 19.506) 19.582 3.975 ( 7.123 0.000 5.789) 9.178 4.144 ( 14.499 0.000 24.966) 28.871 4.358 ( 1.190 0.000 -6.413) 6.523 4.822 ( -2.703 -0.000 5.860) 6.454 5.081 ( -7.158 -0.000 -1.118) 7.245 5.362 ( -4.287 -0.000 -14.796) 15.405 5.561 ( -5.204 -0.000 -8.700) 10.138 5.741 ( 3.830 0.000 -5.480) 6.686 6.110 ( -8.662 -0.000 -2.285) 8.959 6.440 ( -9.223 -0.000 -5.835) 10.913 6.760 ( -1.100 -0.000 -11.339) 11.392 7.048 ( 4.337 0.000 3.859) 5.805 7.336 ( 5.237 0.000 -5.388) 7.513 7.533 ( 0.958 0.000 9.424) 9.473 7.587 ( 5.022 0.000 -7.696) 9.189 7.827 ( -7.233 -0.000 -6.180) 9.514 8.129 ( 0.224 0.000 -4.778) 4.783 8.662 ( 0.124 0.000 4.471) 4.473 8.793 ( -1.854 -0.000 -1.687) 2.506 9.331 ( 1.997 0.000 -3.579) 4.098 9.427 ( 7.641 0.000 -3.206) 8.287 9.660 ( 3.601 0.000 6.248) 7.212 10.262 ( 1.688 0.000 -19.885) 19.957 10.703 ( -7.098 -0.000 8.666) 11.202 10.993 ( 1.157 0.000 5.583) 5.702 11.225 ( -8.235 -0.000 15.895) 17.902 11.749 ( -2.819 -0.000 0.663) 2.896 12.072 ( 8.581 0.000 2.001) 8.811 12.079 ( -5.889 -0.000 -18.091) 19.026 12.568 ( -10.485 -0.000 -1.602) 10.606 13.067 ( 3.339 0.000 11.077) 11.570 14.429 ( -1.895 -0.000 5.567) 5.880 15.103 ( -3.105 -0.000 0.031) 3.105 15.133 ( 1.590 0.000 5.307) 5.540 15.657 ( 5.348 0.000 0.396) 5.363 19.994 ( -0.166 -0.000 6.660) 6.663 20.060 ( -2.993 -0.000 4.725) 5.593 20.757 ( 9.308 0.000 -0.247) 9.312 20.955 ( -1.611 -0.000 7.629) 7.798 21.816 ( 1.888 0.000 -0.342) 1.919 21.931 ( -12.259 -0.000 1.625) 12.366 22.182 ( -9.056 -0.000 -10.373) 13.770 22.937 ( 6.631 0.000 -2.273) 7.010 23.265 ( 0.461 0.000 1.566) 1.633 23.450 ( -3.825 -0.000 1.617) 4.153 23.553 ( -2.592 -0.000 1.778) 3.143 24.605 ( 7.612 0.000 -15.217) 17.015 ======================= Grid point 115 (59/128) ======================= q-point: ( 0.43 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( 3.883 15.227 -6.140) 16.871 1.958 ( 7.240 5.981 8.251) 12.501 2.128 ( 10.089 -4.764 8.131) 13.806 2.222 ( 7.309 0.295 -0.031) 7.315 2.358 ( -1.197 4.169 1.286) 4.524 2.546 ( 0.284 5.988 1.360) 6.147 2.704 ( 3.472 -10.049 -3.317) 11.137 2.994 ( 0.000 0.454 2.555) 2.595 3.086 ( -9.214 -0.762 6.736) 11.439 3.118 ( -4.945 -5.774 6.955) 10.304 3.323 ( -4.165 3.947 0.930) 5.813 3.413 ( -3.806 -4.174 10.334) 11.777 3.857 ( 1.085 4.634 16.001) 16.694 4.104 ( 3.103 -3.560 4.652) 6.629 4.319 ( 2.473 3.708 -5.902) 7.395 4.350 ( 3.702 1.625 10.642) 11.384 4.774 ( -6.664 3.609 7.057) 10.356 5.018 ( 3.613 0.977 4.717) 6.022 5.261 ( -0.657 2.145 -8.917) 9.195 5.503 ( -7.341 -8.254 -6.598) 12.866 5.802 ( 5.691 0.927 -4.084) 7.066 6.046 ( -3.289 -5.805 -5.636) 8.734 6.304 ( -7.204 -0.776 -7.428) 10.377 6.655 ( -5.947 0.392 -14.075) 15.285 7.119 ( 1.371 -2.377 2.023) 3.409 7.364 ( 3.532 2.698 -7.184) 8.448 7.588 ( 2.090 0.381 10.406) 10.621 7.664 ( 8.747 0.840 -0.198) 8.789 7.791 ( 0.524 -2.965 -5.804) 6.539 8.131 ( 0.276 -3.312 -4.788) 5.828 8.598 ( -3.352 5.386 -1.235) 6.463 8.755 ( -4.630 -0.358 1.058) 4.763 9.326 ( 2.749 3.093 -6.590) 7.781 9.526 ( 6.440 0.335 -1.461) 6.613 9.755 ( 2.833 -3.104 8.340) 9.339 10.242 ( 3.361 -0.839 -19.340) 19.647 10.553 ( -6.372 8.016 9.091) 13.694 10.984 ( -1.037 3.252 4.489) 5.640 11.237 ( -10.241 -11.375 11.986) 19.440 11.704 ( -1.904 0.740 -1.525) 2.549 11.935 ( -3.701 2.529 -16.051) 16.666 12.240 ( 12.436 -0.652 3.354) 12.897 12.463 ( -7.510 -3.694 -3.645) 9.129 13.126 ( 1.214 0.598 10.252) 10.341 14.412 ( -4.114 -1.289 6.527) 7.822 15.075 ( -2.330 -1.398 0.218) 2.726 15.174 ( 2.010 0.249 4.934) 5.334 15.723 ( 4.020 0.304 -0.015) 4.031 19.993 ( -2.968 -0.862 5.114) 5.976 20.073 ( 1.404 -0.345 7.281) 7.423 20.772 ( -5.527 1.306 -1.968) 6.011 21.015 ( 10.589 2.292 6.516) 12.643 21.708 ( -12.162 4.249 -0.413) 12.890 21.884 ( -4.155 -6.239 2.662) 7.955 22.093 ( 0.949 -1.256 -9.745) 9.871 23.006 ( 5.095 1.117 -1.570) 5.447 23.284 ( 1.410 -0.011 1.927) 2.388 23.415 ( -3.185 -0.828 2.283) 4.005 23.529 ( -1.848 -0.649 2.383) 3.085 24.614 ( 4.540 3.890 -15.465) 16.580 ======================= Grid point 116 (60/128) ======================= q-point: (-0.43 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 4.733 18.346 -2.471) 19.107 1.973 ( 3.628 8.373 10.822) 14.156 2.196 ( -9.522 5.367 0.547) 10.944 2.209 ( 0.654 4.990 -0.540) 5.062 2.384 ( 9.610 -1.163 6.981) 11.934 2.469 ( -0.593 2.677 1.281) 3.027 2.853 ( -7.320 -7.793 -1.627) 10.815 2.904 ( -4.062 -0.908 1.762) 4.520 3.018 ( -2.237 5.584 -0.621) 6.047 3.184 ( -0.075 -4.698 7.740) 9.054 3.261 ( 0.605 0.122 5.813) 5.845 3.476 ( -2.978 -5.098 13.824) 15.032 3.809 ( 0.330 8.676 11.210) 14.179 4.110 ( -7.315 -1.501 -4.718) 8.833 4.287 ( -2.200 8.942 10.375) 13.873 4.336 ( 6.124 2.381 -0.463) 6.587 4.615 ( -3.729 6.023 2.811) 7.621 5.151 ( 7.590 -1.100 9.047) 11.860 5.249 ( 0.107 -4.015 -8.704) 9.586 5.540 ( -5.792 -9.991 -1.260) 11.618 5.841 ( 3.413 0.312 -4.214) 5.431 6.128 ( -0.060 -8.339 -13.013) 15.456 6.254 ( 0.637 -3.009 -4.041) 5.078 6.556 ( -3.172 -3.248 -12.499) 13.298 7.157 ( -0.498 -1.927 -2.804) 3.439 7.335 ( 2.392 4.196 -2.770) 5.568 7.614 ( 1.108 3.779 8.746) 9.592 7.790 ( 5.964 -1.059 4.482) 7.535 7.846 ( 5.292 -2.236 -5.016) 7.626 8.234 ( 4.579 -6.532 -2.186) 8.271 8.431 ( -6.996 5.538 -5.224) 10.339 8.675 ( -6.955 -0.008 1.862) 7.200 9.272 ( 1.823 5.627 -5.418) 8.021 9.578 ( 4.252 1.868 -2.360) 5.209 9.843 ( -0.862 -2.637 5.064) 5.774 10.249 ( 4.087 1.116 -16.749) 17.276 10.431 ( -0.672 2.802 7.317) 7.863 10.894 ( -5.448 3.125 0.571) 6.307 11.318 ( -7.664 -11.260 12.691) 18.617 11.673 ( -0.091 0.182 -8.005) 8.008 11.843 ( 0.501 0.724 -6.867) 6.923 12.384 ( -4.464 -6.619 -3.524) 8.727 12.479 ( 10.825 0.596 1.597) 10.959 13.148 ( -0.614 0.684 8.987) 9.034 14.397 ( -5.448 -2.910 7.557) 9.760 15.078 ( -1.335 -2.331 0.299) 2.703 15.207 ( 1.980 1.111 4.863) 5.367 15.752 ( 1.712 1.341 -0.865) 2.340 19.980 ( -2.668 -0.814 4.535) 5.324 20.133 ( 1.145 -1.531 9.364) 9.557 20.633 ( -7.517 2.497 -2.172) 8.213 21.155 ( 6.043 0.788 2.693) 6.663 21.484 ( -4.831 4.501 0.042) 6.603 21.914 ( -7.322 -8.159 0.586) 10.978 22.165 ( 8.238 -0.658 -3.711) 9.060 23.029 ( 3.036 3.349 -1.310) 4.706 23.310 ( 1.024 0.245 2.136) 2.381 23.398 ( -1.082 -0.779 1.828) 2.262 23.544 ( -1.187 -3.086 3.017) 4.476 24.534 ( 2.141 6.524 -15.688) 17.125 ======================= Grid point 117 (61/128) ======================= q-point: (-0.29 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 7.306 16.496 4.861) 18.685 1.801 ( -4.414 18.726 12.235) 22.800 1.987 ( -12.087 0.151 -1.329) 12.161 2.139 ( 1.048 5.280 3.475) 6.407 2.356 ( -1.578 5.153 -0.892) 5.462 2.555 ( -5.703 -6.411 0.979) 8.636 2.742 ( -0.135 5.816 3.060) 6.573 2.869 ( 0.170 2.816 0.007) 2.821 3.004 ( -0.578 -4.260 -4.142) 5.970 3.263 ( 1.833 -2.447 5.694) 6.463 3.341 ( 3.069 -1.775 10.237) 10.833 3.547 ( -2.923 -3.687 15.843) 16.527 3.707 ( 3.222 10.891 7.751) 13.750 3.960 ( -4.818 7.227 -4.747) 9.898 4.150 ( -6.715 3.759 11.515) 13.850 4.391 ( 3.071 -0.909 -0.437) 3.232 4.528 ( 1.516 6.357 2.885) 7.144 5.263 ( 3.643 -0.946 4.798) 6.098 5.307 ( 2.095 -3.975 -6.494) 7.897 5.608 ( -5.824 -10.123 0.674) 11.699 5.863 ( -0.185 -2.102 -7.191) 7.494 6.148 ( -3.781 -5.108 -14.805) 16.112 6.360 ( 6.192 -4.165 -5.229) 9.113 6.645 ( 7.189 -7.596 -5.498) 11.816 7.151 ( 0.624 0.914 -6.633) 6.725 7.284 ( -0.019 4.855 3.090) 5.755 7.565 ( -1.656 4.936 6.378) 8.233 7.850 ( 0.400 -1.967 -2.150) 2.941 7.998 ( 8.212 -3.104 3.031) 9.288 8.206 ( -10.072 3.140 -7.561) 12.980 8.408 ( 7.148 -2.853 0.430) 7.708 8.601 ( -6.364 -2.624 1.583) 7.063 9.205 ( 1.506 4.218 -2.297) 5.033 9.585 ( 3.425 2.796 -5.020) 6.690 9.803 ( -5.624 1.753 -3.227) 6.716 10.259 ( 6.440 1.310 -3.984) 7.685 10.461 ( 1.041 -1.989 0.754) 2.368 10.768 ( -6.955 1.270 -1.419) 7.211 11.431 ( -4.757 -10.570 13.551) 17.832 11.638 ( 2.242 1.997 -12.568) 12.922 11.895 ( 3.574 -3.601 1.234) 5.221 12.374 ( -7.573 -7.533 -9.293) 14.159 12.644 ( 11.217 1.843 5.828) 12.774 13.146 ( -2.439 -0.112 6.872) 7.293 14.390 ( -5.797 -3.635 8.216) 10.692 15.100 ( -0.386 -1.701 0.766) 1.905 15.226 ( 1.527 1.497 4.594) 5.067 15.720 ( -1.048 3.219 -1.913) 3.888 19.970 ( -2.025 -0.395 4.983) 5.393 20.196 ( -0.853 -2.550 9.856) 10.216 20.506 ( -5.245 1.285 -1.500) 5.604 21.038 ( -11.149 3.962 -3.610) 12.370 21.613 ( 18.364 -2.624 6.948) 19.809 21.924 ( -6.950 -6.847 -1.296) 9.842 22.282 ( 7.369 -0.409 -0.688) 7.413 22.976 ( 0.125 6.106 -1.736) 6.349 23.306 ( -1.125 0.426 1.583) 1.989 23.437 ( 2.882 -1.793 0.865) 3.503 23.590 ( -1.660 -3.886 3.312) 5.369 24.408 ( 1.549 6.810 -15.351) 16.865 ======================= Grid point 118 (62/128) ======================= q-point: (-0.14 0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 4.214 12.647 15.989) 20.817 1.548 ( 5.763 15.008 11.183) 19.583 1.819 ( -10.753 -0.482 -1.944) 10.938 2.081 ( -3.042 3.447 0.072) 4.598 2.294 ( -0.188 0.047 0.834) 0.856 2.464 ( -9.058 -2.136 -1.138) 9.376 2.693 ( 6.052 7.771 -0.375) 9.856 2.932 ( 5.029 1.126 2.285) 5.637 3.019 ( 0.858 -2.368 -3.153) 4.036 3.353 ( 0.531 -3.461 6.958) 7.789 3.412 ( 4.717 3.342 5.535) 8.004 3.575 ( -4.337 -0.987 9.797) 10.759 3.660 ( 5.060 7.396 14.918) 17.402 3.795 ( -1.928 6.168 2.122) 6.802 4.044 ( -6.518 2.763 8.460) 11.031 4.388 ( 4.597 10.716 3.872) 12.287 4.540 ( 1.337 -7.292 0.025) 7.413 5.313 ( -0.513 -0.474 4.224) 4.281 5.371 ( 3.825 -0.908 -3.694) 5.394 5.655 ( -8.795 -8.877 -6.937) 14.293 5.889 ( 1.353 -7.174 -7.817) 10.696 6.108 ( -3.544 -1.702 -10.787) 11.481 6.500 ( 6.860 -3.861 -7.675) 10.994 6.837 ( 5.975 -3.832 0.670) 7.130 7.080 ( -0.339 6.728 -6.583) 9.419 7.264 ( 2.690 1.092 3.590) 4.617 7.481 ( -3.026 2.481 3.546) 5.280 7.822 ( -5.312 2.663 -0.367) 5.953 8.031 ( -5.327 -3.776 -13.304) 14.820 8.157 ( 4.163 -1.723 2.854) 5.334 8.514 ( 3.131 0.591 7.603) 8.244 8.599 ( -1.615 -5.483 -1.922) 6.030 9.186 ( 1.681 1.075 0.180) 2.004 9.558 ( 3.140 5.276 -7.054) 9.351 9.671 ( -4.630 2.405 -4.951) 7.193 10.350 ( 6.531 -1.358 -9.012) 11.212 10.502 ( 0.636 -2.362 5.537) 6.053 10.675 ( -6.064 -1.872 1.523) 6.527 11.566 ( -2.349 -7.357 13.922) 15.921 11.610 ( 3.664 2.090 -10.054) 10.903 12.003 ( 1.454 -3.878 1.399) 4.372 12.342 ( -7.443 -6.699 -12.355) 15.904 12.761 ( 6.896 2.037 8.742) 11.320 13.112 ( -6.446 -0.640 3.505) 7.365 14.390 ( -4.194 -2.472 8.346) 9.662 15.112 ( 0.141 0.827 2.805) 2.928 15.234 ( 0.335 0.712 2.731) 2.842 15.627 ( -1.620 5.028 -1.819) 5.587 19.964 ( -1.251 0.236 5.402) 5.550 20.237 ( -3.884 -3.138 9.848) 11.041 20.436 ( -2.950 0.077 -1.291) 3.221 20.860 ( -3.144 3.421 -0.118) 4.648 21.893 ( -2.875 -3.495 -1.327) 4.716 21.997 ( 13.757 -8.931 4.167) 16.923 22.356 ( 2.903 0.954 0.052) 3.056 22.859 ( -1.396 6.334 -3.090) 7.184 23.288 ( -1.399 0.105 0.847) 1.639 23.516 ( 3.479 -2.217 -0.453) 4.150 23.613 ( -3.357 -2.345 2.559) 4.829 24.318 ( 4.291 3.737 -13.932) 15.049 ======================= Grid point 122 (63/128) ======================= q-point: ( 0.43 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 4.113 0.000 -12.422) 13.085 2.096 ( 0.264 0.000 11.106) 11.109 2.179 ( 2.170 0.000 2.875) 3.602 2.228 ( 2.454 0.000 -1.138) 2.705 2.389 ( -5.187 -0.000 3.934) 6.510 2.598 ( 0.497 0.000 2.448) 2.498 2.716 ( 7.080 0.000 1.001) 7.150 2.970 ( -4.700 -0.000 11.182) 12.130 2.981 ( -5.842 -0.000 8.100) 9.987 3.093 ( 3.604 0.000 -1.649) 3.963 3.275 ( -5.813 -0.000 0.044) 5.814 3.371 ( -2.467 -0.000 15.278) 15.476 3.932 ( -2.504 -0.000 16.244) 16.436 4.029 ( -5.660 -0.000 -7.895) 9.714 4.393 ( -3.771 -0.000 3.034) 4.840 4.487 ( 13.864 0.000 2.625) 14.110 4.752 ( -4.025 -0.000 8.214) 9.147 5.132 ( 7.777 0.000 5.114) 9.307 5.240 ( -5.017 -0.000 0.459) 5.038 5.298 ( -4.302 -0.000 -5.464) 6.955 5.887 ( 5.704 0.000 -4.871) 7.501 5.936 ( -2.113 -0.000 -11.710) 11.899 6.211 ( -0.219 -0.000 -5.311) 5.316 6.500 ( -7.584 -0.000 -15.292) 17.069 7.112 ( -0.008 -0.000 -0.223) 0.223 7.435 ( 4.251 0.000 -4.778) 6.395 7.651 ( 1.959 0.000 10.889) 11.064 7.801 ( 8.792 0.000 -2.233) 9.071 7.815 ( 6.641 0.000 -2.713) 7.173 8.082 ( 0.577 0.000 -1.804) 1.894 8.551 ( -8.453 -0.000 -4.745) 9.694 8.662 ( -7.573 -0.000 -0.413) 7.584 9.373 ( 3.849 0.000 -11.038) 11.690 9.630 ( 6.060 0.000 1.895) 6.349 9.790 ( 1.677 0.000 10.548) 10.681 10.220 ( 3.258 0.000 -20.807) 21.061 10.552 ( -6.832 -0.000 12.382) 14.141 10.995 ( -10.981 -0.000 6.352) 12.686 11.050 ( 0.368 0.000 7.285) 7.294 11.665 ( -1.217 -0.000 -8.321) 8.409 11.871 ( -1.897 -0.000 -12.126) 12.274 12.256 ( -7.013 -0.000 -1.436) 7.158 12.493 ( 12.600 0.000 3.654) 13.119 13.161 ( -0.706 -0.000 8.069) 8.100 14.356 ( -5.051 -0.000 7.322) 8.895 15.038 ( -1.415 -0.000 0.242) 1.436 15.227 ( 2.827 0.000 5.105) 5.836 15.772 ( 2.347 0.000 -0.295) 2.365 19.965 ( -2.157 -0.000 4.590) 5.071 20.114 ( 1.089 0.000 9.196) 9.260 20.671 ( -8.232 -0.000 -3.485) 8.939 21.174 ( 5.784 0.000 3.562) 6.792 21.654 ( -6.240 -0.000 0.764) 6.286 21.688 ( -6.518 -0.000 -1.106) 6.611 22.155 ( 8.676 0.000 -3.781) 9.464 23.073 ( 3.881 0.000 -1.982) 4.358 23.318 ( 2.403 0.000 2.483) 3.455 23.375 ( -2.387 -0.000 2.578) 3.513 23.507 ( -1.688 -0.000 3.109) 3.538 24.634 ( 1.048 0.000 -16.670) 16.703 ======================= Grid point 123 (64/128) ======================= q-point: (-0.43 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -5.650 9.299 -1.799) 11.029 2.024 ( -1.769 6.067 -0.070) 6.320 2.175 ( -2.627 2.591 -0.171) 3.694 2.288 ( -7.696 -2.504 6.601) 10.444 2.364 ( -0.005 -1.971 3.852) 4.327 2.523 ( -3.043 8.324 3.602) 9.566 2.785 ( 4.323 0.617 2.825) 5.201 2.903 ( 2.129 2.371 4.435) 5.461 3.073 ( -1.347 5.077 -4.004) 6.605 3.107 ( -0.047 -8.878 7.800) 11.818 3.241 ( -0.886 -4.305 3.341) 5.521 3.429 ( -1.051 -3.270 16.635) 16.986 3.875 ( -3.991 2.965 1.757) 5.273 3.961 ( -8.133 -2.980 2.433) 8.997 4.298 ( -6.656 -0.584 -0.253) 6.686 4.569 ( 5.113 14.233 12.286) 19.485 4.754 ( 6.284 3.578 6.284) 9.581 5.174 ( 1.562 -2.806 -8.093) 8.707 5.228 ( 0.356 -3.695 -0.620) 3.764 5.357 ( 1.150 -4.037 6.985) 8.149 5.832 ( -3.443 0.824 -12.851) 13.330 5.992 ( 3.153 -5.510 -10.930) 12.640 6.275 ( 7.460 -1.425 -3.236) 8.255 6.433 ( 1.374 -4.624 -10.184) 11.269 7.120 ( 0.060 -1.394 -1.540) 2.078 7.438 ( 2.521 4.182 -2.138) 5.331 7.693 ( -0.121 1.816 9.333) 9.509 7.840 ( 1.971 2.028 -5.950) 6.588 7.918 ( 7.138 -1.330 -0.092) 7.262 8.206 ( 6.545 -6.034 2.473) 9.240 8.360 ( -9.395 3.300 -7.049) 12.201 8.553 ( -9.102 -1.574 0.013) 9.237 9.353 ( 1.838 3.710 -10.485) 11.273 9.680 ( 3.654 3.267 2.847) 5.668 9.837 ( 0.357 0.802 6.196) 6.258 10.222 ( 2.822 -3.198 -20.541) 20.979 10.485 ( -3.210 2.654 13.119) 13.765 10.845 ( -7.745 2.739 1.040) 8.281 11.138 ( -2.103 -7.402 11.241) 13.622 11.642 ( 1.555 -0.930 -12.055) 12.191 11.831 ( 0.335 -0.625 -5.800) 5.843 12.174 ( -7.917 -4.604 -5.116) 10.491 12.678 ( 10.783 0.513 7.360) 13.066 13.157 ( -2.290 0.417 5.778) 6.229 14.325 ( -3.359 -0.964 7.490) 8.265 15.038 ( -0.215 -1.543 0.149) 1.565 15.276 ( 2.803 1.135 5.527) 6.300 15.780 ( -0.056 0.999 -0.708) 1.226 19.960 ( -1.007 -0.245 5.205) 5.307 20.155 ( -0.286 -0.518 10.570) 10.587 20.541 ( -7.267 0.724 -4.153) 8.401 21.136 ( -9.038 2.231 -2.234) 9.574 21.598 ( 6.538 0.809 2.931) 7.210 21.738 ( 1.196 -4.688 0.257) 4.845 22.271 ( 7.980 -0.230 -0.958) 8.041 23.096 ( 2.011 1.845 -2.930) 4.004 23.337 ( -0.446 1.449 2.769) 3.157 23.386 ( 1.612 -1.710 2.661) 3.550 23.507 ( -0.815 -1.365 3.198) 3.571 24.551 ( -2.327 2.621 -17.470) 17.819 ======================= Grid point 124 (65/128) ======================= q-point: (-0.29 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( -11.440 2.871 2.508) 12.059 1.902 ( 1.948 11.631 2.152) 11.988 2.017 ( -3.092 13.154 3.882) 14.059 2.169 ( -19.799 -4.482 2.723) 20.482 2.268 ( 0.029 6.541 7.582) 10.014 2.487 ( 2.032 1.677 1.188) 2.890 2.867 ( 0.236 -2.670 -0.229) 2.691 2.920 ( 6.593 4.455 0.150) 7.959 2.976 ( 1.225 2.406 -2.136) 3.443 3.230 ( -0.483 -6.055 4.709) 7.686 3.342 ( 1.172 -5.546 2.144) 6.061 3.518 ( -1.665 -3.590 20.715) 21.089 3.776 ( -2.836 3.176 -9.630) 10.529 3.876 ( -11.343 -2.938 12.031) 16.794 4.297 ( 0.014 -4.805 2.411) 5.376 4.405 ( 1.903 16.608 14.182) 21.922 4.749 ( 4.185 9.536 4.357) 11.289 5.282 ( 0.175 -4.633 -7.317) 8.662 5.309 ( 10.084 -3.429 -3.994) 11.376 5.414 ( -3.188 -3.076 5.915) 7.390 5.730 ( -5.706 -2.045 -13.414) 14.719 6.075 ( 4.281 -2.316 -10.477) 11.553 6.389 ( 7.015 -2.536 -5.349) 9.179 6.619 ( 10.139 -9.235 -4.498) 14.433 7.145 ( 1.606 -1.148 -3.636) 4.138 7.380 ( 0.103 5.525 0.964) 5.609 7.616 ( -5.592 5.681 6.307) 10.165 7.844 ( 1.988 -0.932 -1.957) 2.941 7.974 ( -6.142 0.616 -7.625) 9.810 8.135 ( -1.837 0.640 -0.258) 1.962 8.456 ( 0.158 -4.356 -0.453) 4.383 8.489 ( 3.120 -3.549 3.134) 5.670 9.272 ( -0.230 4.229 -6.756) 7.974 9.675 ( 2.833 3.648 1.482) 4.851 9.785 ( -1.876 4.837 -3.582) 6.305 10.266 ( 2.294 -4.565 -14.716) 15.577 10.484 ( 0.331 0.426 12.165) 12.177 10.706 ( -5.361 3.235 -1.212) 6.378 11.268 ( -2.253 -9.471 12.842) 16.115 11.660 ( 4.613 -0.238 -12.073) 12.926 11.874 ( 1.561 -4.053 -0.343) 4.356 12.131 ( -7.689 -6.729 -8.577) 13.340 12.808 ( 5.688 1.069 10.308) 11.821 13.119 ( -3.958 0.758 3.362) 5.248 14.336 ( -0.236 -0.975 6.938) 7.010 15.074 ( 0.929 -2.288 -0.122) 2.473 15.301 ( 2.093 2.610 6.042) 6.907 15.736 ( -2.124 2.377 -1.056) 3.358 19.973 ( 0.360 0.312 6.466) 6.483 20.180 ( -2.278 -0.891 10.975) 11.245 20.439 ( -4.345 0.034 -3.625) 5.659 20.944 ( -9.456 2.294 -2.762) 10.115 21.748 ( 2.499 -6.450 -0.809) 6.964 21.854 ( 11.995 -0.490 4.490) 12.817 22.367 ( 5.264 -0.039 -0.083) 5.265 23.041 ( -1.453 5.156 -4.360) 6.907 23.308 ( -1.199 1.323 2.043) 2.713 23.454 ( 2.430 -2.030 2.270) 3.896 23.542 ( 0.335 -2.194 2.816) 3.585 24.411 ( -3.892 2.350 -16.929) 17.529 ======================= Grid point 125 (66/128) ======================= q-point: (-0.14 0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.570 ( -11.822 -2.979 3.655) 12.728 1.692 ( -3.064 12.807 12.994) 18.500 1.894 ( 7.813 9.821 2.275) 12.754 1.979 ( -13.630 -1.229 1.240) 13.742 2.237 ( 0.729 1.231 5.325) 5.514 2.475 ( 1.581 2.926 0.426) 3.353 2.854 ( 4.134 5.046 -2.482) 6.979 2.927 ( -2.036 -4.050 -3.281) 5.596 3.058 ( 6.301 -1.063 -1.527) 6.570 3.325 ( 0.340 -4.687 6.282) 7.845 3.410 ( -3.164 -4.184 1.744) 5.528 3.583 ( -3.240 -0.509 20.507) 20.767 3.658 ( -2.673 2.170 -7.980) 8.691 3.838 ( -5.972 -3.507 12.287) 14.104 4.249 ( 4.280 15.867 17.609) 24.087 4.426 ( 0.411 -8.903 0.072) 8.912 4.661 ( 6.154 11.889 5.690) 14.546 5.310 ( -6.349 -6.074 -12.555) 15.324 5.320 ( -4.214 3.418 3.944) 6.708 5.490 ( 5.716 -0.008 -7.114) 9.125 5.747 ( 4.220 -9.489 -5.974) 11.981 6.096 ( 2.155 1.984 -8.483) 8.975 6.507 ( 5.212 -3.629 -8.708) 10.778 6.875 ( 9.460 -4.934 1.915) 10.840 7.123 ( -2.302 4.171 -7.177) 8.614 7.323 ( 0.928 1.379 2.021) 2.617 7.473 ( -5.367 2.519 3.454) 6.862 7.745 ( -11.246 3.390 -8.226) 14.340 7.921 ( 2.857 -3.835 -0.297) 4.791 8.180 ( 1.693 -0.692 -0.156) 1.835 8.438 ( -4.928 -3.677 1.427) 6.312 8.655 ( 8.040 -0.670 1.799) 8.266 9.211 ( -0.445 0.913 -2.410) 2.616 9.653 ( -2.376 5.098 -6.368) 8.496 9.676 ( 4.455 3.801 -0.786) 5.908 10.310 ( 0.028 -4.535 -14.186) 14.893 10.502 ( -1.698 1.885 1.651) 3.027 10.650 ( 1.862 -0.536 9.782) 9.972 11.428 ( -1.297 -10.102 12.401) 16.047 11.700 ( 6.611 1.655 -7.462) 10.106 11.948 ( -0.894 -3.912 -0.006) 4.012 12.098 ( -7.400 -6.964 -11.439) 15.301 12.879 ( 2.411 0.905 13.050) 13.302 13.036 ( -6.378 1.864 0.908) 6.707 14.382 ( 2.388 -0.334 5.985) 6.453 15.120 ( 1.233 -1.375 0.330) 1.876 15.286 ( -0.006 3.904 5.411) 6.672 15.662 ( -1.491 2.962 -0.669) 3.383 19.993 ( 1.266 1.421 7.000) 7.254 20.178 ( -4.734 -0.648 10.519) 11.553 20.413 ( 1.427 -1.494 -2.329) 3.114 20.829 ( -4.867 -1.155 0.397) 5.018 21.810 ( 0.823 -1.712 -3.326) 3.831 22.101 ( 11.659 -4.856 4.893) 13.545 22.394 ( -0.671 2.229 -0.484) 2.378 22.895 ( -3.861 5.297 -5.796) 8.750 23.283 ( -0.683 0.890 1.170) 1.621 23.504 ( -1.167 -2.122 1.864) 3.056 23.588 ( 2.292 -0.404 1.181) 2.610 24.312 ( -1.216 -1.509 -14.588) 14.716 ======================= Grid point 130 (67/128) ======================= q-point: (-0.43 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -18.992 -0.000 5.383) 19.741 2.033 ( -19.069 -0.000 6.704) 20.214 2.130 ( 3.322 0.000 -6.817) 7.583 2.199 ( 2.004 0.000 -0.050) 2.005 2.440 ( 5.086 0.000 6.843) 8.526 2.566 ( -6.490 -0.000 4.925) 8.147 2.834 ( 0.316 0.000 0.075) 0.325 2.949 ( -2.446 -0.000 4.648) 5.252 3.079 ( 4.670 0.000 0.213) 4.674 3.116 ( 0.675 0.000 -3.708) 3.769 3.173 ( 0.303 0.000 7.330) 7.337 3.436 ( -2.737 -0.000 18.536) 18.737 3.820 ( -12.552 -0.000 15.972) 20.314 3.828 ( -3.105 -0.000 -12.242) 12.630 4.202 ( -3.466 -0.000 0.370) 3.486 4.801 ( 0.281 0.000 13.334) 13.337 4.830 ( -1.607 -0.000 12.433) 12.536 5.159 ( 2.852 0.000 -13.075) 13.382 5.207 ( 10.552 0.000 -2.092) 10.757 5.415 ( 2.495 0.000 5.511) 6.050 5.779 ( 1.605 0.000 -19.000) 19.067 5.968 ( 4.728 0.000 -7.960) 9.258 6.367 ( 7.311 0.000 -5.824) 9.347 6.446 ( 9.470 0.000 -4.338) 10.416 7.116 ( 1.576 0.000 -1.887) 2.458 7.474 ( -1.078 -0.000 -2.016) 2.286 7.709 ( -3.853 -0.000 5.853) 7.007 7.834 ( -0.671 -0.000 -5.896) 5.935 8.028 ( 7.821 0.000 0.778) 7.860 8.167 ( -11.631 -0.000 -4.394) 12.433 8.336 ( 9.505 0.000 2.622) 9.860 8.409 ( -7.595 -0.000 -0.130) 7.596 9.348 ( -1.726 -0.000 -10.554) 10.694 9.760 ( 2.193 0.000 4.290) 4.818 9.901 ( 2.743 0.000 6.029) 6.623 10.139 ( 0.275 0.000 -24.689) 24.691 10.494 ( -3.536 -0.000 16.853) 17.220 10.777 ( -5.053 -0.000 1.422) 5.250 11.107 ( -0.259 -0.000 10.236) 10.239 11.639 ( 4.789 0.000 -12.312) 13.210 11.811 ( 0.492 0.000 -4.615) 4.641 12.016 ( -7.644 -0.000 -5.251) 9.273 12.824 ( 5.368 0.000 11.316) 12.525 13.134 ( -3.269 -0.000 2.806) 4.308 14.326 ( 1.491 0.000 5.944) 6.128 15.032 ( 0.917 0.000 0.126) 0.925 15.344 ( 3.039 0.000 6.210) 6.913 15.771 ( -2.195 -0.000 -0.593) 2.274 19.978 ( 1.332 0.000 7.122) 7.245 20.170 ( -1.745 -0.000 11.229) 11.363 20.438 ( -5.687 -0.000 -4.893) 7.502 20.984 ( -12.621 -0.000 -3.942) 13.223 21.639 ( 4.726 0.000 -0.359) 4.740 21.855 ( 11.742 0.000 4.237) 12.483 22.365 ( 5.701 0.000 0.167) 5.704 23.118 ( 0.717 0.000 -5.507) 5.553 23.348 ( -0.966 -0.000 3.302) 3.441 23.413 ( 2.063 0.000 3.664) 4.205 23.502 ( 0.756 0.000 2.369) 2.487 24.447 ( -6.948 -0.000 -18.785) 20.028 ======================= Grid point 131 (68/128) ======================= q-point: (-0.29 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -17.591 -0.120 9.017) 19.767 1.801 ( -21.647 -3.372 7.018) 23.005 2.105 ( -1.070 6.717 2.445) 7.228 2.194 ( 7.323 7.026 -2.809) 10.530 2.386 ( -3.978 8.420 8.045) 12.306 2.521 ( 0.208 -0.648 3.569) 3.633 2.812 ( -4.446 -1.644 -2.691) 5.451 2.941 ( -9.047 -6.583 2.252) 11.413 3.028 ( 1.319 5.151 -6.095) 8.088 3.177 ( 4.066 -4.074 -1.248) 5.889 3.258 ( -0.533 -2.733 5.965) 6.583 3.503 ( -0.974 -4.985 23.393) 23.938 3.712 ( -7.842 -0.782 8.575) 11.647 3.754 ( -3.131 0.308 -4.415) 5.422 4.216 ( 0.214 -3.466 0.175) 3.477 4.668 ( -5.098 10.095 12.215) 16.647 4.868 ( 0.379 0.827 9.987) 10.029 5.168 ( 0.104 -2.136 -12.377) 12.561 5.418 ( -1.016 2.105 1.963) 3.053 5.454 ( 17.005 -3.834 -0.297) 17.434 5.717 ( 5.927 7.613 -15.310) 18.097 6.074 ( 6.135 -3.973 -9.224) 11.769 6.426 ( 3.855 -1.128 -8.480) 9.383 6.669 ( 15.841 -5.936 -1.048) 16.950 7.139 ( 1.243 -1.083 -6.077) 6.296 7.413 ( -3.796 2.350 -1.838) 4.828 7.585 ( -11.227 3.360 0.958) 11.758 7.812 ( -4.144 0.063 -3.119) 5.187 7.939 ( -4.543 5.551 -0.015) 7.173 8.146 ( 4.363 -1.349 2.328) 5.126 8.359 ( -2.466 -1.331 2.261) 3.600 8.537 ( 9.081 -6.177 0.823) 11.014 9.263 ( -3.667 1.592 -7.770) 8.738 9.770 ( 1.376 3.592 4.894) 6.225 9.863 ( 1.153 7.396 -6.568) 9.958 10.138 ( -0.443 -7.052 -17.653) 19.014 10.526 ( 0.420 -0.947 16.083) 16.117 10.710 ( -1.559 3.353 2.218) 4.311 11.173 ( -0.813 -5.625 10.661) 12.082 11.702 ( 7.812 -0.677 -10.547) 13.142 11.831 ( 0.504 -2.812 -1.143) 3.077 11.924 ( -7.082 -3.775 -6.590) 10.384 12.898 ( 0.513 0.333 14.892) 14.904 13.081 ( -4.116 0.908 0.068) 4.216 14.390 ( 5.418 0.525 4.089) 6.808 15.064 ( 1.945 -1.518 -0.208) 2.476 15.390 ( 2.722 2.258 6.737) 7.609 15.719 ( -3.611 0.902 -0.459) 3.750 20.036 ( 4.028 1.115 9.592) 10.463 20.170 ( -3.080 0.005 11.171) 11.588 20.370 ( -2.471 -1.151 -4.202) 5.009 20.803 ( -10.689 -0.454 -3.490) 11.253 21.745 ( 7.048 -1.971 -1.295) 7.432 22.032 ( 11.192 -0.425 5.104) 12.309 22.425 ( 2.690 0.276 0.213) 2.712 23.059 ( -3.082 4.056 -9.226) 10.539 23.327 ( -0.665 2.039 2.823) 3.546 23.450 ( -0.313 -1.575 3.994) 4.305 23.552 ( 3.701 -1.579 1.237) 4.210 24.273 ( -9.352 -0.872 -17.712) 20.049 ======================= Grid point 132 (69/128) ======================= q-point: (-0.14 -0.43 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -14.877 -1.725 11.349) 18.791 1.589 ( -17.936 -6.115 8.576) 20.800 1.944 ( -2.268 9.547 5.980) 11.491 2.201 ( 9.752 8.657 0.424) 13.047 2.303 ( 0.314 3.389 5.128) 6.155 2.510 ( -1.819 1.299 1.710) 2.814 2.772 ( -8.809 -8.538 -3.648) 12.799 2.928 ( -9.534 -9.921 4.623) 14.515 2.974 ( 3.131 3.996 -3.890) 6.396 3.293 ( -3.983 -3.867 4.418) 7.095 3.314 ( 4.947 -4.295 -2.324) 6.952 3.547 ( -6.853 0.277 17.254) 18.567 3.698 ( 2.640 1.630 -2.430) 3.941 3.759 ( -0.131 -3.860 13.683) 14.217 4.263 ( -2.944 -4.797 -2.652) 6.222 4.501 ( -6.056 5.850 9.923) 13.014 4.889 ( 5.502 5.397 10.862) 13.319 5.119 ( -6.111 0.189 -10.061) 11.773 5.351 ( -0.215 3.543 -1.833) 3.994 5.649 ( 8.809 9.269 -11.578) 17.250 5.758 ( 15.152 -5.375 -0.808) 16.097 6.134 ( 2.859 1.170 -7.876) 8.460 6.481 ( 3.065 -3.685 -11.322) 12.295 6.982 ( 11.506 -2.182 1.287) 11.782 7.101 ( -2.131 1.257 -7.643) 8.034 7.300 ( -4.792 -1.257 -3.740) 6.207 7.414 ( -6.983 0.187 1.239) 7.094 7.629 ( -8.655 4.436 -5.619) 11.232 7.961 ( 4.366 -0.833 8.307) 9.421 8.207 ( 2.104 0.870 0.694) 2.380 8.362 ( -0.694 -0.833 2.033) 2.304 8.719 ( 4.844 -3.919 -0.422) 6.245 9.182 ( -2.879 0.047 -3.536) 4.560 9.693 ( -1.246 5.930 -7.044) 9.291 9.799 ( 4.771 4.129 -0.087) 6.310 10.165 ( -2.974 -5.883 -13.880) 15.366 10.550 ( 1.103 4.960 -2.235) 5.551 10.718 ( 3.672 -0.769 14.971) 15.433 11.319 ( 0.780 -9.433 12.085) 15.351 11.800 ( 8.425 -0.175 -7.613) 11.356 11.865 ( -1.689 -4.354 -9.789) 10.846 11.892 ( -4.781 -3.740 2.483) 6.559 12.940 ( -0.512 -0.288 16.849) 16.859 12.988 ( -5.259 2.486 -2.290) 6.252 14.468 ( 6.057 1.651 3.156) 7.026 15.119 ( 2.101 -1.649 -0.257) 2.683 15.370 ( -0.635 5.646 5.803) 8.121 15.666 ( -1.503 0.431 0.166) 1.572 20.087 ( 3.168 3.314 8.208) 9.401 20.149 ( -3.604 1.010 10.463) 11.112 20.417 ( 5.795 -4.035 0.495) 7.079 20.699 ( -7.391 -3.628 -1.175) 8.317 21.853 ( 7.094 0.273 -2.116) 7.408 22.199 ( 6.818 -1.344 3.879) 7.959 22.402 ( -4.124 3.797 -0.806) 5.663 22.866 ( -7.194 4.194 -11.035) 13.824 23.303 ( 0.232 1.648 1.728) 2.399 23.464 ( -1.967 -0.939 2.931) 3.653 23.636 ( 4.302 -0.512 0.744) 4.396 24.161 ( -5.534 -6.215 -14.104) 16.376 ======================= Grid point 138 (70/128) ======================= q-point: (-0.29 -0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -14.515 -0.000 16.237) 21.779 1.507 ( -20.954 -0.000 10.864) 23.603 2.142 ( -3.725 -0.000 2.730) 4.618 2.297 ( 1.245 0.000 -2.842) 3.102 2.470 ( 3.909 0.000 8.020) 8.921 2.498 ( -5.892 -0.000 3.978) 7.109 2.587 ( -20.928 -0.000 -2.445) 21.071 2.740 ( -8.161 -0.000 6.413) 10.379 3.065 ( -1.883 -0.000 -8.109) 8.325 3.120 ( 3.102 0.000 -7.149) 7.793 3.339 ( 3.048 0.000 5.011) 5.865 3.516 ( -1.470 -0.000 25.855) 25.896 3.652 ( -2.333 -0.000 11.838) 12.066 3.736 ( 1.726 0.000 -4.545) 4.862 4.206 ( 0.659 0.000 -1.197) 1.366 4.581 ( -14.889 -0.000 1.306) 14.946 4.964 ( 5.552 0.000 14.237) 15.282 5.126 ( -1.312 -0.000 -10.745) 10.825 5.418 ( -0.463 -0.000 -2.903) 2.939 5.669 ( 16.696 0.000 1.001) 16.726 5.916 ( 14.806 0.000 -14.013) 20.386 6.082 ( 3.881 0.000 -7.228) 8.204 6.415 ( 1.377 0.000 -12.099) 12.177 6.895 ( 21.570 0.000 2.308) 21.693 7.094 ( -2.493 -0.000 -12.026) 12.282 7.361 ( -4.797 -0.000 -1.566) 5.046 7.391 ( -17.660 -0.000 -5.551) 18.512 7.722 ( -8.814 -0.000 -1.830) 9.002 7.967 ( 2.309 0.000 8.396) 8.707 8.207 ( 3.467 0.000 2.595) 4.331 8.404 ( 5.151 0.000 6.665) 8.424 8.572 ( 4.643 0.000 -3.062) 5.562 9.193 ( -4.124 -0.000 -5.941) 7.232 9.829 ( 0.055 0.000 2.404) 2.405 9.948 ( -1.195 -0.000 -3.471) 3.671 9.976 ( 0.705 0.000 -21.816) 21.828 10.592 ( 3.877 0.000 13.140) 13.700 10.757 ( 1.906 0.000 10.352) 10.526 11.136 ( -1.572 -0.000 6.268) 6.462 11.787 ( -5.487 -0.000 -6.098) 8.203 11.799 ( 7.781 0.000 -6.326) 10.028 11.820 ( 3.135 0.000 1.331) 3.406 12.934 ( -2.291 -0.000 18.495) 18.637 13.026 ( -4.197 -0.000 -2.962) 5.137 14.504 ( 8.104 0.000 1.459) 8.235 15.085 ( 2.812 0.000 -0.439) 2.846 15.477 ( 3.685 0.000 6.545) 7.511 15.660 ( -5.059 -0.000 -0.123) 5.060 20.146 ( -2.022 -0.000 9.481) 9.694 20.195 ( 8.699 0.000 16.104) 18.304 20.319 ( -0.745 -0.000 -4.166) 4.232 20.642 ( -9.182 -0.000 -3.623) 9.871 21.849 ( 9.205 0.000 -0.977) 9.257 22.184 ( 8.600 0.000 5.662) 10.296 22.451 ( 0.558 0.000 -0.328) 0.647 22.983 ( -8.715 -0.000 -18.075) 20.067 23.356 ( 0.531 0.000 2.970) 3.017 23.432 ( -1.622 -0.000 4.161) 4.466 23.596 ( 4.065 0.000 0.230) 4.072 24.054 ( -11.873 -0.000 -13.858) 18.248 ======================= Grid point 139 (71/128) ======================= q-point: (-0.14 -0.29 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -14.270 2.824 18.757) 23.737 1.299 ( -13.864 -5.830 15.864) 21.860 2.009 ( -6.443 4.761 3.510) 8.747 2.252 ( -17.207 -4.788 4.690) 18.466 2.331 ( -6.664 -5.161 0.349) 8.436 2.483 ( -3.822 0.351 1.488) 4.117 2.544 ( 6.817 4.092 7.300) 10.794 2.713 ( -5.163 -6.985 5.203) 10.125 3.017 ( -0.542 -0.307 -6.759) 6.788 3.187 ( 1.740 -4.961 -5.979) 7.962 3.349 ( 0.916 1.813 1.655) 2.620 3.511 ( -6.605 0.836 14.945) 16.361 3.719 ( 1.750 -0.175 9.555) 9.716 3.816 ( 6.214 -3.555 8.660) 11.237 4.182 ( -3.199 0.403 -5.236) 6.149 4.369 ( -14.804 -0.967 -1.137) 14.879 5.024 ( -7.722 1.681 -5.229) 9.477 5.074 ( 6.494 2.537 9.103) 11.466 5.407 ( 3.391 2.220 -3.673) 5.470 5.854 ( 10.074 4.316 -8.303) 13.750 5.983 ( 10.633 6.044 -3.473) 12.715 6.163 ( 6.833 -1.927 -6.547) 9.657 6.430 ( 3.349 -3.151 -13.796) 14.542 6.974 ( -9.340 3.925 -11.414) 15.262 7.098 ( -10.387 -1.939 -5.873) 12.089 7.272 ( 20.127 -3.733 2.914) 20.677 7.305 ( -5.674 -1.887 0.087) 5.980 7.579 ( -6.325 2.767 -1.001) 6.976 8.046 ( 3.920 0.677 9.640) 10.429 8.239 ( -0.120 0.001 1.376) 1.381 8.436 ( 4.069 5.880 2.856) 7.700 8.678 ( 1.612 -6.807 -0.652) 7.025 9.134 ( -2.104 0.019 -2.601) 3.345 9.724 ( -3.374 5.504 -10.823) 12.602 9.914 ( 2.672 0.508 -1.779) 3.250 10.001 ( -0.672 -3.217 -10.961) 11.442 10.632 ( 1.847 3.533 -4.278) 5.848 10.844 ( 5.944 3.235 18.373) 19.580 11.223 ( 1.389 -10.725 8.314) 13.641 11.729 ( -1.652 -1.642 -7.174) 7.542 11.831 ( -1.099 -1.691 4.531) 4.959 11.956 ( 11.949 0.424 -1.647) 12.070 12.939 ( -4.749 1.786 -5.496) 7.480 12.969 ( -1.215 -1.015 19.937) 20.000 14.601 ( 7.176 2.230 0.432) 7.527 15.134 ( 2.979 -0.824 -0.564) 3.142 15.462 ( -2.276 7.170 3.755) 8.407 15.631 ( -1.113 -2.952 0.490) 3.192 20.114 ( -4.258 0.884 8.144) 9.233 20.259 ( 3.529 5.500 3.518) 7.421 20.505 ( 16.765 -4.822 13.424) 22.012 20.545 ( -5.655 -2.851 -1.686) 6.553 21.970 ( 8.354 0.270 -1.435) 8.481 22.279 ( 1.561 3.105 2.716) 4.410 22.387 ( -8.037 6.425 -2.972) 10.710 22.713 ( -12.965 -1.845 -18.860) 22.961 23.351 ( 1.274 2.670 2.316) 3.757 23.436 ( -1.502 -1.024 3.198) 3.679 23.683 ( 4.881 -2.739 -0.035) 5.597 23.925 ( -7.335 -6.563 -8.114) 12.756 ======================= Grid point 146 (72/128) ======================= q-point: (-0.14 -0.14 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -14.713 -0.000 18.562) 23.686 1.171 ( -10.570 -0.000 21.064) 23.567 1.863 ( -18.273 -0.000 24.671) 30.701 1.944 ( -8.558 -0.000 1.862) 8.758 2.319 ( 1.057 0.000 0.790) 1.319 2.414 ( -5.673 -0.000 -1.968) 6.005 2.585 ( -4.981 -0.000 7.437) 8.951 2.752 ( 9.344 0.000 2.533) 9.682 2.946 ( -2.561 -0.000 -8.578) 8.952 3.176 ( 3.344 0.000 -6.003) 6.872 3.380 ( 1.419 0.000 -1.489) 2.057 3.470 ( -6.252 -0.000 12.464) 13.944 3.808 ( 1.099 0.000 17.168) 17.203 3.847 ( 1.293 0.000 7.135) 7.251 4.108 ( -6.585 -0.000 -7.847) 10.244 4.152 ( -10.863 -0.000 -4.664) 11.822 4.886 ( -11.078 -0.000 -4.124) 11.821 5.201 ( 5.642 0.000 5.731) 8.042 5.470 ( 2.871 0.000 -1.741) 3.357 5.991 ( 6.655 0.000 -8.342) 10.672 6.029 ( -3.367 -0.000 -7.273) 8.015 6.309 ( 13.590 0.000 -3.610) 14.061 6.439 ( 7.095 0.000 -12.807) 14.641 6.831 ( -15.272 -0.000 -1.900) 15.390 6.900 ( -3.029 -0.000 -13.578) 13.912 7.216 ( -4.722 -0.000 1.324) 4.904 7.516 ( -4.803 -0.000 0.995) 4.905 7.581 ( 22.023 0.000 5.854) 22.788 8.139 ( 3.714 0.000 7.473) 8.345 8.200 ( -4.460 -0.000 -3.195) 5.487 8.552 ( -2.868 -0.000 -5.513) 6.214 8.637 ( 6.050 0.000 10.570) 12.179 9.116 ( 0.064 0.000 -0.542) 0.546 9.667 ( -5.371 -0.000 -15.798) 16.686 9.818 ( -4.624 -0.000 -6.265) 7.787 10.073 ( 8.057 0.000 -3.721) 8.875 10.654 ( -0.370 -0.000 -6.162) 6.173 11.087 ( -3.163 -0.000 -0.009) 3.163 11.099 ( 9.881 0.000 18.014) 20.546 11.742 ( 7.155 0.000 -0.874) 7.208 11.822 ( -1.204 -0.000 7.378) 7.476 12.140 ( 13.175 0.000 1.646) 13.277 12.867 ( -4.817 -0.000 -8.430) 9.709 13.019 ( 1.484 0.000 20.856) 20.909 14.713 ( 5.834 0.000 -1.165) 5.949 15.175 ( 3.713 0.000 -0.997) 3.845 15.512 ( -5.192 -0.000 0.509) 5.217 15.537 ( -4.793 -0.000 -1.975) 5.184 20.081 ( -4.698 -0.000 7.325) 8.702 20.330 ( 1.726 0.000 -3.498) 3.900 20.465 ( -1.055 -0.000 -0.721) 1.277 20.905 ( 34.443 0.000 23.354) 41.614 22.008 ( -12.309 -0.000 -14.993) 19.398 22.237 ( -20.008 -0.000 -15.228) 25.144 22.318 ( -4.050 -0.000 6.079) 7.304 22.471 ( 3.921 0.000 -1.758) 4.297 23.393 ( -2.562 -0.000 2.901) 3.871 23.445 ( 5.399 0.000 1.886) 5.719 23.684 ( 2.091 0.000 -1.303) 2.463 23.802 ( -2.476 -0.000 0.527) 2.532 ======================= Grid point 147 (73/128) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -0.795 -0.000 16.779) 16.797 1.447 ( 2.139 0.000 16.761) 16.897 1.794 ( -4.416 -0.000 1.903) 4.809 2.069 ( -7.377 -0.000 -2.567) 7.811 2.348 ( 1.635 0.000 -1.689) 2.351 2.350 ( 6.951 0.000 -5.872) 9.099 2.517 ( -4.098 -0.000 -7.154) 8.245 2.641 ( -3.409 -0.000 -11.538) 12.031 3.159 ( 1.769 0.000 -0.613) 1.872 3.236 ( 6.464 0.000 21.716) 22.657 3.378 ( -0.157 -0.000 2.354) 2.359 3.517 ( 3.766 0.000 4.859) 6.148 3.913 ( -1.187 -0.000 8.425) 8.509 3.989 ( 0.165 0.000 4.872) 4.875 4.201 ( 1.725 0.000 4.058) 4.409 4.220 ( -4.332 -0.000 20.409) 20.864 4.749 ( -1.513 -0.000 5.736) 5.932 5.462 ( 0.958 0.000 13.642) 13.676 5.596 ( -4.978 -0.000 8.524) 9.871 5.688 ( -6.883 -0.000 -16.170) 17.573 5.845 ( -0.487 -0.000 -4.641) 4.666 6.182 ( 2.289 0.000 -9.104) 9.387 6.413 ( 8.178 0.000 -11.846) 14.395 6.669 ( -3.166 -0.000 2.628) 4.114 6.769 ( 5.141 0.000 -6.693) 8.439 7.168 ( 3.727 0.000 -6.889) 7.833 7.492 ( -2.233 -0.000 -0.746) 2.354 7.804 ( -8.838 -0.000 -4.079) 9.734 7.957 ( 0.718 0.000 -6.392) 6.432 8.179 ( 6.107 0.000 -2.028) 6.435 8.649 ( 3.299 0.000 6.314) 7.123 8.827 ( -3.520 -0.000 -2.070) 4.084 9.187 ( -3.452 -0.000 -6.317) 7.198 9.237 ( 3.090 0.000 5.388) 6.211 9.539 ( -0.494 -0.000 -5.758) 5.779 10.034 ( 0.437 0.000 -12.716) 12.724 10.778 ( 5.169 0.000 14.201) 15.112 11.032 ( -0.210 -0.000 3.806) 3.812 11.308 ( -0.113 -0.000 1.408) 1.413 11.944 ( -3.027 -0.000 1.175) 3.247 12.075 ( 6.624 0.000 1.442) 6.779 12.333 ( -7.440 -0.000 -15.707) 17.380 12.715 ( 13.013 0.000 10.539) 16.745 13.257 ( -7.624 -0.000 -2.146) 7.920 14.756 ( -6.761 -0.000 6.045) 9.069 15.207 ( 2.298 0.000 -3.913) 4.538 15.215 ( -6.749 -0.000 5.111) 8.466 15.413 ( -0.526 -0.000 -0.656) 0.840 20.100 ( -4.771 -0.000 5.006) 6.915 20.299 ( 3.672 0.000 -1.884) 4.127 20.666 ( 10.767 0.000 2.791) 11.123 20.782 ( -23.133 -0.000 -1.107) 23.159 22.129 ( 25.344 0.000 -0.144) 25.345 22.140 ( -11.829 -0.000 0.024) 11.829 22.333 ( 2.073 0.000 3.075) 3.709 22.534 ( -0.980 -0.000 -1.461) 1.759 23.363 ( -3.492 -0.000 1.851) 3.952 23.555 ( 3.148 0.000 -3.702) 4.859 23.671 ( -0.722 -0.000 0.332) 0.795 23.872 ( 6.748 0.000 -3.895) 7.791 ======================= Grid point 148 (74/128) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 7.348 -4.585 12.969) 15.596 1.591 ( 6.043 -4.332 15.462) 17.156 1.776 ( -2.514 -1.306 0.980) 2.998 1.987 ( -4.806 -2.210 0.202) 5.294 2.302 ( 2.337 3.601 -5.559) 7.023 2.451 ( -0.624 -1.979 -5.093) 5.500 2.518 ( 4.907 -2.594 0.207) 5.554 2.603 ( -0.073 -5.258 -12.957) 13.983 3.131 ( 3.835 6.365 1.351) 7.553 3.353 ( 2.806 -2.636 -3.078) 4.929 3.486 ( 2.739 -0.824 13.070) 13.379 3.600 ( 3.652 -3.107 8.365) 9.642 3.906 ( 1.140 2.238 6.996) 7.433 4.047 ( -1.045 -4.065 4.748) 6.337 4.229 ( 2.126 -0.921 16.533) 16.695 4.268 ( -1.291 -3.031 13.929) 14.314 4.745 ( 0.968 2.577 6.613) 7.163 5.438 ( -7.292 5.930 -7.414) 11.972 5.520 ( -3.865 1.831 8.791) 9.776 5.559 ( -5.288 -1.463 2.293) 5.947 5.816 ( -1.874 -1.264 -5.620) 6.058 6.155 ( 0.095 4.241 -5.666) 7.079 6.419 ( 5.036 5.774 -9.290) 12.042 6.726 ( 0.536 -7.118 -4.554) 8.467 6.828 ( 5.263 -2.561 -7.216) 9.291 7.206 ( 3.926 -0.452 -7.394) 8.384 7.431 ( -4.252 0.518 -1.095) 4.421 7.692 ( -7.093 -0.627 -3.400) 7.891 7.960 ( 3.306 1.964 -1.381) 4.086 8.171 ( -3.794 0.284 -5.287) 6.514 8.710 ( 3.140 1.109 7.375) 8.092 8.731 ( -3.295 4.118 -4.012) 6.626 9.155 ( 0.041 -1.572 -3.666) 3.989 9.327 ( 2.943 -3.224 3.143) 5.379 9.543 ( 2.327 -0.495 -0.777) 2.503 9.996 ( -0.470 -1.001 -16.914) 16.950 10.879 ( 2.858 0.779 13.304) 13.630 10.972 ( -0.712 8.730 7.975) 11.846 11.383 ( 5.168 -4.333 1.958) 7.022 11.867 ( -4.166 2.652 -3.560) 6.088 12.104 ( -1.258 3.596 -1.664) 4.158 12.180 ( -5.872 0.257 -10.257) 11.822 12.920 ( 10.487 -0.855 10.784) 15.066 13.100 ( -12.453 -0.295 -5.141) 13.476 14.655 ( -7.439 1.325 9.780) 12.359 15.173 ( -0.485 1.183 1.631) 2.073 15.224 ( -1.106 -2.140 1.264) 2.720 15.455 ( 2.837 -2.797 -1.073) 4.126 20.066 ( -2.275 -0.275 4.881) 5.392 20.362 ( 6.221 0.477 -0.996) 6.318 20.506 ( -15.517 0.496 2.901) 15.793 20.842 ( 10.571 -0.662 4.219) 11.401 21.948 ( -11.661 2.378 -2.472) 12.155 22.319 ( 11.251 8.563 0.268) 14.142 22.348 ( -2.097 -0.873 2.008) 3.032 22.580 ( 1.387 -7.215 -4.255) 8.490 23.322 ( -2.340 0.532 1.740) 2.964 23.547 ( 1.855 2.312 -2.312) 3.759 23.665 ( -3.235 -0.704 0.794) 3.405 23.994 ( 9.609 -1.987 -8.597) 13.045 ======================= Grid point 149 (75/128) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -5.140 1.720 1.051) 5.521 1.720 ( 4.084 -4.950 9.641) 11.582 1.843 ( 10.437 -5.959 13.206) 17.856 1.998 ( -1.660 -2.562 5.043) 5.895 2.310 ( 3.328 -0.441 -1.796) 3.807 2.429 ( 1.262 2.220 0.483) 2.599 2.626 ( 4.166 -4.580 -4.538) 7.677 2.725 ( 4.363 -8.497 -10.396) 14.118 3.093 ( 3.972 7.305 0.764) 8.350 3.424 ( 3.424 -1.158 -2.564) 4.431 3.514 ( -0.753 -0.069 7.944) 7.980 3.663 ( -1.101 0.081 5.011) 5.131 3.908 ( 0.474 2.625 5.275) 5.911 4.065 ( -3.672 -1.049 2.659) 4.653 4.372 ( 0.872 -9.113 3.491) 9.798 4.416 ( 5.412 -3.299 21.010) 21.946 4.766 ( 5.405 2.352 15.181) 16.285 5.150 ( -10.679 6.856 -15.908) 20.350 5.426 ( -9.443 1.871 7.389) 12.136 5.572 ( 0.214 0.649 12.006) 12.026 5.807 ( -1.604 -3.745 -7.386) 8.435 6.033 ( -0.054 9.038 -2.315) 9.330 6.378 ( 2.624 3.192 -10.015) 10.834 6.768 ( -2.817 -4.168 -10.605) 11.738 6.957 ( 6.015 -4.711 -7.358) 10.607 7.238 ( 6.253 2.435 -10.418) 12.392 7.385 ( -5.959 -3.618 3.997) 8.036 7.595 ( -3.531 1.687 -1.790) 4.303 7.977 ( 1.976 0.656 -0.878) 2.259 8.090 ( -4.907 -1.597 -5.979) 7.898 8.594 ( -3.755 4.878 -0.839) 6.213 8.767 ( 4.289 1.965 4.453) 6.488 9.196 ( 2.386 -1.360 -0.002) 2.747 9.395 ( -0.811 -3.846 -2.687) 4.761 9.631 ( 7.037 -1.382 5.370) 8.959 9.954 ( -0.539 -1.732 -18.456) 18.545 10.763 ( -6.416 10.001 7.361) 13.977 10.975 ( 3.418 2.404 12.655) 13.328 11.550 ( 9.413 -2.087 1.940) 9.834 11.744 ( -4.082 2.963 -10.090) 11.281 11.945 ( -5.290 5.279 -5.169) 9.087 12.110 ( -4.614 0.412 1.228) 4.792 12.923 ( -12.501 -2.340 -6.011) 14.067 13.090 ( 7.134 -1.034 10.584) 12.806 14.594 ( -3.214 1.037 10.376) 10.911 15.154 ( 0.300 1.117 -1.790) 2.131 15.256 ( -1.657 -3.503 4.424) 5.881 15.542 ( 3.550 -2.713 -1.309) 4.656 20.077 ( 0.310 -1.078 5.034) 5.158 20.340 ( -10.289 -0.795 3.818) 11.003 20.451 ( 8.557 1.332 0.800) 8.697 20.968 ( 5.502 2.767 5.657) 8.362 21.768 ( -5.939 1.701 -4.936) 7.908 22.255 ( -5.067 3.089 -4.253) 7.301 22.351 ( -2.052 -2.112 5.496) 6.235 22.690 ( 5.180 -1.892 -4.897) 7.375 23.299 ( -1.047 0.001 1.799) 2.082 23.546 ( 2.383 1.662 -1.345) 3.202 23.615 ( -4.317 -0.493 1.799) 4.703 24.097 ( 6.866 0.663 -10.808) 12.822 ======================= Grid point 150 (76/128) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -7.896 1.977 7.981) 11.400 1.844 ( 0.022 -4.038 5.599) 6.903 1.995 ( 1.260 4.039 9.997) 10.855 2.121 ( 9.246 -6.232 9.938) 14.936 2.349 ( 1.369 0.621 3.121) 3.464 2.454 ( 1.742 -1.489 -0.428) 2.332 2.749 ( 5.077 -5.249 -5.638) 9.226 2.846 ( 2.532 -3.925 -8.483) 9.684 3.004 ( 0.085 9.080 -1.061) 9.143 3.439 ( -1.683 0.444 0.917) 1.967 3.512 ( -0.945 2.610 3.345) 4.346 3.698 ( 3.520 -2.636 4.973) 6.638 3.859 ( -1.439 5.719 6.483) 8.764 4.018 ( -4.218 -0.089 2.759) 5.042 4.400 ( -7.681 2.488 -1.824) 8.277 4.553 ( -0.941 -4.936 8.598) 9.959 4.942 ( 5.054 0.826 -5.324) 7.387 4.979 ( 4.938 -3.762 17.784) 18.837 5.252 ( -12.763 0.832 4.932) 13.708 5.592 ( 0.733 2.352 11.054) 11.325 5.846 ( -0.137 -5.887 -7.184) 9.289 5.934 ( 5.054 6.386 -2.176) 8.430 6.326 ( 0.538 2.836 -11.268) 11.632 6.724 ( -6.394 -3.674 -11.830) 13.940 7.028 ( -0.402 -2.904 -14.373) 14.669 7.287 ( 13.334 4.621 -1.946) 14.245 7.384 ( -5.044 -4.951 2.590) 7.527 7.540 ( -0.467 3.352 1.099) 3.559 7.978 ( -4.449 -3.958 -4.126) 7.244 8.091 ( 3.567 -2.858 -2.686) 5.302 8.486 ( -2.622 4.062 0.740) 4.891 8.794 ( 2.711 2.354 2.633) 4.452 9.225 ( -0.170 0.691 1.591) 1.743 9.420 ( -0.296 -2.152 -4.282) 4.801 9.784 ( 7.629 -2.039 5.960) 9.893 9.931 ( 0.213 -2.307 -16.269) 16.433 10.561 ( -5.442 7.167 7.361) 11.626 10.998 ( 0.084 2.046 7.972) 8.230 11.574 ( -4.716 1.693 -18.106) 18.787 11.699 ( 7.979 5.378 2.674) 9.987 11.869 ( 2.000 -0.792 3.845) 4.406 12.041 ( -3.882 1.316 4.866) 6.362 12.788 ( -10.420 -3.625 -7.689) 13.448 13.212 ( 3.703 -0.948 10.252) 10.941 14.591 ( -0.045 0.365 9.096) 9.103 15.142 ( 1.039 0.861 -2.554) 2.888 15.298 ( -2.609 -4.274 4.246) 6.565 15.613 ( 2.676 -1.434 -1.517) 3.394 20.129 ( 1.845 -1.630 4.313) 4.966 20.254 ( -6.772 -1.903 4.217) 8.202 20.577 ( 11.752 1.122 3.766) 12.392 20.909 ( -4.289 7.564 4.003) 9.573 21.753 ( 5.527 -1.601 -3.844) 6.921 22.091 ( -13.607 -1.082 -6.941) 15.313 22.375 ( -3.930 -4.315 5.873) 8.280 22.742 ( 5.699 3.212 -4.500) 7.940 23.302 ( -0.103 -0.798 1.898) 2.062 23.514 ( -2.031 1.876 -0.005) 2.765 23.624 ( 0.786 -2.577 1.589) 3.128 24.095 ( 3.317 4.714 -10.572) 12.042 ======================= Grid point 151 (77/128) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -8.584 1.235 13.659) 16.180 1.858 ( -1.926 3.629 13.924) 14.517 1.990 ( 1.436 2.057 5.366) 5.923 2.294 ( -0.676 -0.657 3.113) 3.252 2.371 ( 1.691 -1.224 2.084) 2.949 2.481 ( -1.393 -2.709 2.002) 3.645 2.760 ( -5.157 8.783 -5.274) 11.470 2.882 ( 4.973 -3.964 -3.889) 7.455 2.918 ( 2.705 2.829 -4.546) 5.999 3.378 ( -2.862 2.878 1.445) 4.308 3.458 ( -0.165 5.413 4.813) 7.245 3.692 ( -8.151 4.251 4.172) 10.095 3.857 ( 6.186 -0.701 3.876) 7.333 3.998 ( -3.800 -3.408 6.687) 8.413 4.216 ( -5.939 5.833 0.453) 8.336 4.489 ( -7.107 4.613 2.095) 8.728 4.928 ( -10.052 -1.311 4.277) 11.002 5.218 ( 3.071 -1.999 15.747) 16.167 5.238 ( 8.521 -11.225 -3.779) 14.590 5.604 ( 2.222 1.998 8.920) 9.407 5.898 ( 0.563 -2.969 -2.455) 3.894 6.015 ( 10.270 -2.981 -5.636) 12.088 6.241 ( -0.136 3.876 -12.390) 12.983 6.645 ( -6.802 -3.444 -10.304) 12.818 6.979 ( -3.373 -0.899 -13.004) 13.465 7.369 ( -4.868 0.657 -0.702) 4.962 7.445 ( 10.248 1.649 -0.650) 10.400 7.502 ( 9.168 3.320 2.980) 10.196 7.960 ( -5.191 -5.032 -5.481) 9.072 8.240 ( 6.078 -6.450 1.323) 8.960 8.382 ( -3.888 4.010 -2.142) 5.982 8.800 ( 1.107 1.324 3.312) 3.735 9.196 ( -1.534 1.056 2.055) 2.773 9.415 ( -0.109 0.788 -5.273) 5.333 9.866 ( -0.129 2.305 -11.513) 11.742 9.941 ( 3.346 -2.106 3.172) 5.069 10.492 ( -0.224 -0.545 5.843) 5.873 10.979 ( -2.130 0.278 4.285) 4.794 11.443 ( -3.249 0.382 -15.866) 16.200 11.717 ( 5.951 4.587 4.242) 8.628 11.937 ( -2.735 -2.232 4.223) 5.504 12.066 ( 11.317 2.341 9.031) 14.667 12.683 ( -8.805 -3.744 -10.134) 13.937 13.286 ( 0.850 -0.887 9.558) 9.636 14.632 ( 1.711 -0.881 7.397) 7.643 15.142 ( 2.073 1.004 -2.841) 3.657 15.330 ( -4.155 -4.859 3.241) 7.167 15.643 ( 0.892 0.317 -2.304) 2.491 20.176 ( -1.561 -1.800 2.907) 3.758 20.239 ( -0.809 -2.050 3.857) 4.443 20.702 ( -6.148 6.453 1.059) 8.976 20.803 ( 16.700 0.191 8.559) 18.767 21.850 ( -14.223 -1.656 -10.046) 17.492 21.910 ( 3.897 -4.362 -0.454) 5.867 22.393 ( -6.230 -4.998 5.531) 9.716 22.728 ( 5.509 7.508 -3.999) 10.135 23.329 ( 0.723 -1.423 1.719) 2.345 23.469 ( -2.787 -0.480 0.707) 2.915 23.689 ( 2.489 -2.189 1.204) 3.527 23.999 ( 0.954 7.809 -8.654) 11.696 ======================= Grid point 152 (78/128) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( -7.101 1.360 16.442) 17.961 1.774 ( -5.414 9.308 19.121) 21.945 1.984 ( -2.373 0.401 3.227) 4.026 2.228 ( -6.387 -0.763 -1.716) 6.657 2.300 ( -4.953 5.473 -0.419) 7.393 2.464 ( -1.683 3.991 -0.523) 4.363 2.654 ( 0.079 -0.782 -2.870) 2.976 2.848 ( -1.369 3.570 -8.572) 9.386 2.990 ( 3.278 -1.062 1.542) 3.776 3.308 ( 1.124 8.249 11.698) 14.358 3.377 ( -0.099 3.558 0.945) 3.682 3.548 ( -7.400 0.273 1.847) 7.632 3.905 ( -6.152 -3.141 0.327) 6.915 4.028 ( 0.398 -2.075 9.092) 9.334 4.125 ( 0.876 4.216 5.337) 6.857 4.333 ( -3.104 6.598 5.443) 9.099 4.815 ( -9.412 -2.604 1.801) 9.930 5.312 ( 1.901 -0.907 12.216) 12.397 5.495 ( 2.700 -9.839 1.102) 10.263 5.670 ( 5.124 -1.492 3.463) 6.362 5.924 ( -1.342 -0.918 -3.921) 4.244 6.152 ( 3.335 0.630 -14.567) 14.957 6.217 ( 8.349 -2.857 -4.566) 9.935 6.605 ( -0.816 -3.124 -6.303) 7.082 6.888 ( -4.056 2.180 -6.937) 8.326 7.246 ( -2.677 4.882 -5.225) 7.635 7.484 ( 0.756 -1.066 -1.160) 1.747 7.733 ( 19.386 0.732 4.710) 19.963 7.949 ( -4.295 -4.743 -6.073) 8.822 8.209 ( -7.491 3.686 -8.843) 12.161 8.442 ( 4.721 -5.858 4.886) 8.971 8.813 ( 0.326 -0.608 3.560) 3.626 9.183 ( -0.267 0.413 3.934) 3.964 9.365 ( -0.853 2.344 -6.961) 7.394 9.736 ( -4.574 3.965 -10.634) 12.236 10.024 ( 3.553 -0.764 -0.200) 3.640 10.560 ( 2.134 -2.811 6.524) 7.417 10.973 ( -2.706 -2.905 2.652) 4.775 11.377 ( -1.181 0.189 -8.046) 8.134 11.783 ( 8.127 1.439 4.133) 9.230 11.941 ( -1.624 -1.883 4.839) 5.440 12.263 ( 15.486 1.584 9.031) 17.996 12.584 ( -7.837 -3.087 -12.548) 15.113 13.322 ( -1.183 -0.849 7.736) 7.872 14.703 ( 1.954 -2.167 5.800) 6.492 15.153 ( 3.022 1.088 -3.165) 4.509 15.340 ( -6.150 -4.884 2.211) 8.159 15.606 ( -2.159 2.695 -3.378) 4.831 20.173 ( -4.032 -2.392 4.026) 6.180 20.279 ( 1.408 -0.361 0.868) 1.693 20.540 ( -1.892 5.252 0.574) 5.612 21.162 ( 22.622 -5.976 9.130) 25.117 21.550 ( -24.183 -1.787 -9.045) 25.881 22.087 ( 9.074 -3.232 0.879) 9.672 22.372 ( -8.327 -3.738 4.425) 10.144 22.660 ( 4.708 9.428 -2.950) 10.943 23.373 ( 1.037 -2.098 1.259) 2.657 23.451 ( -2.433 -1.677 0.874) 3.082 23.758 ( 3.293 -1.200 0.095) 3.506 23.859 ( 0.011 8.543 -5.299) 10.053 ======================= Grid point 153 (79/128) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -3.757 -0.103 17.376) 17.778 1.545 ( -9.466 10.887 16.982) 22.283 1.897 ( -6.666 2.958 2.700) 7.777 2.175 ( -5.783 0.353 -2.915) 6.486 2.231 ( 2.506 -2.971 0.712) 3.952 2.392 ( 1.124 4.597 -1.281) 4.903 2.613 ( -4.093 0.514 -7.909) 8.920 2.740 ( -2.898 2.372 -11.595) 12.185 3.045 ( 1.752 -1.736 10.271) 10.563 3.237 ( 3.753 10.505 14.788) 18.524 3.388 ( -1.565 -3.643 -1.800) 4.354 3.480 ( -1.058 1.202 1.790) 2.402 3.875 ( -3.886 -3.902 5.194) 7.570 4.050 ( -2.286 5.266 4.174) 7.098 4.124 ( 2.524 -1.946 10.039) 10.532 4.255 ( -1.543 4.042 11.186) 11.994 4.761 ( -4.997 -2.174 3.919) 6.712 5.390 ( 2.013 -1.229 11.846) 12.079 5.597 ( -3.454 -4.510 6.875) 8.918 5.771 ( 2.325 -1.959 -5.926) 6.661 5.858 ( -3.319 0.040 -7.209) 7.937 6.172 ( 4.772 0.492 -11.413) 12.381 6.322 ( 3.962 -3.322 -8.952) 10.338 6.684 ( 6.400 -1.618 -2.812) 7.175 6.768 ( -3.361 4.448 -1.854) 5.875 7.163 ( 1.211 2.004 -7.088) 7.465 7.499 ( -0.301 -0.846 0.034) 0.899 7.925 ( -4.707 -1.983 -2.925) 5.886 7.994 ( 7.329 -0.337 -1.952) 7.592 8.034 ( 1.490 1.186 -8.554) 8.763 8.572 ( 2.550 -3.010 4.926) 6.311 8.841 ( -1.124 -1.987 1.928) 2.988 9.192 ( 0.299 -0.066 3.710) 3.723 9.284 ( -2.029 2.978 -6.467) 7.403 9.600 ( -3.221 2.146 -8.700) 9.522 10.053 ( 1.866 0.344 -7.113) 7.362 10.661 ( 3.771 -1.878 10.704) 11.503 11.000 ( -2.169 -4.006 2.451) 5.173 11.337 ( -0.726 1.770 -1.371) 2.354 11.913 ( 5.590 -2.625 3.021) 6.875 11.976 ( 2.991 0.015 3.542) 4.636 12.458 ( -1.239 -1.365 -10.155) 10.321 12.505 ( 8.816 0.312 4.798) 10.041 13.322 ( -3.214 -0.701 3.584) 4.865 14.769 ( -0.358 -2.267 4.810) 5.329 15.176 ( 3.547 0.540 -3.760) 5.198 15.307 ( -8.944 -3.532 2.272) 9.881 15.489 ( -3.988 4.562 -2.407) 6.520 20.152 ( -5.355 -1.300 5.346) 7.677 20.279 ( 0.777 0.841 -2.002) 2.307 20.536 ( 6.861 1.172 1.532) 7.127 21.152 ( -27.765 -1.526 -7.434) 28.783 21.674 ( 28.643 -5.920 6.800) 30.028 22.234 ( 2.378 -2.996 1.017) 3.958 22.300 ( -6.164 -0.434 3.529) 7.116 22.581 ( 2.746 6.982 -1.474) 7.646 23.398 ( -3.171 -1.494 2.061) 4.066 23.478 ( 2.909 -2.728 -1.675) 4.325 23.734 ( -0.459 6.208 -1.658) 6.442 23.814 ( 4.084 0.191 -1.522) 4.362 ======================= Grid point 155 (80/128) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 11.752 0.000 7.939) 14.182 1.707 ( 8.827 0.000 10.051) 13.376 1.785 ( 2.941 0.000 0.968) 3.096 1.941 ( 1.189 0.000 4.195) 4.360 2.359 ( 1.090 0.000 -10.555) 10.611 2.381 ( 1.111 0.000 -2.942) 3.145 2.553 ( 1.480 0.000 -3.817) 4.093 2.596 ( 8.443 0.000 -1.214) 8.530 3.279 ( 6.643 0.000 0.837) 6.696 3.364 ( 4.525 0.000 -0.323) 4.536 3.548 ( -1.920 -0.000 7.424) 7.668 3.585 ( -3.839 -0.000 9.411) 10.164 3.957 ( 1.416 0.000 5.445) 5.626 4.035 ( 0.589 0.000 7.942) 7.964 4.228 ( 0.370 0.000 -2.387) 2.416 4.365 ( 4.762 0.000 28.415) 28.811 4.812 ( 2.820 0.000 8.675) 9.122 5.307 ( -9.722 -0.000 -16.697) 19.321 5.460 ( -9.236 -0.000 7.660) 11.999 5.555 ( -0.498 -0.000 9.386) 9.399 5.735 ( -4.320 -0.000 -2.150) 4.826 6.160 ( -1.627 -0.000 -8.219) 8.379 6.522 ( 1.871 0.000 -10.481) 10.647 6.644 ( 0.142 0.000 -2.109) 2.114 6.836 ( 4.742 0.000 -13.453) 14.264 7.236 ( 3.331 0.000 -2.135) 3.956 7.377 ( -2.602 -0.000 -2.225) 3.423 7.623 ( -2.424 -0.000 0.716) 2.528 8.021 ( 3.114 0.000 -1.716) 3.556 8.034 ( -10.872 -0.000 -7.132) 13.002 8.711 ( -1.343 -0.000 -7.071) 7.197 8.767 ( 0.239 0.000 7.414) 7.418 9.170 ( 5.740 0.000 -2.185) 6.142 9.334 ( -0.318 -0.000 0.767) 0.831 9.612 ( 6.365 0.000 6.162) 8.859 9.926 ( -0.398 -0.000 -19.270) 19.274 10.929 ( -1.516 -0.000 8.540) 8.673 11.080 ( 0.865 0.000 7.172) 7.224 11.446 ( 7.322 0.000 10.930) 13.156 11.795 ( -5.664 -0.000 -11.144) 12.500 12.045 ( -6.962 -0.000 -9.815) 12.034 12.106 ( -4.079 -0.000 2.476) 4.772 12.877 ( -14.958 -0.000 -6.291) 16.227 13.076 ( 7.924 0.000 10.687) 13.304 14.608 ( -4.410 -0.000 10.412) 11.308 15.168 ( -2.479 -0.000 -3.059) 3.937 15.203 ( 0.436 0.000 6.587) 6.602 15.496 ( 5.406 0.000 -0.663) 5.447 20.062 ( 0.064 0.000 5.081) 5.082 20.328 ( -11.188 -0.000 3.372) 11.685 20.473 ( 9.083 0.000 -0.626) 9.104 21.007 ( 9.246 0.000 6.943) 11.562 21.802 ( -8.906 -0.000 -4.956) 10.192 22.271 ( -7.813 -0.000 2.794) 8.297 22.370 ( -9.315 -0.000 -4.637) 10.405 22.635 ( 12.864 0.000 -2.679) 13.140 23.305 ( -1.369 -0.000 2.098) 2.505 23.548 ( -1.715 -0.000 -0.911) 1.942 23.641 ( -1.680 -0.000 1.779) 2.446 24.098 ( 10.877 0.000 -12.426) 16.515 ======================= Grid point 156 (81/128) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 1.028 5.715 -1.140) 5.918 1.814 ( 8.220 2.435 4.762) 9.806 1.951 ( 11.095 -4.778 9.807) 15.559 2.046 ( 8.024 -0.482 7.945) 11.303 2.340 ( 2.458 0.079 -3.629) 4.384 2.457 ( 2.501 -4.091 -3.684) 6.047 2.582 ( 2.765 -1.437 -1.734) 3.566 2.736 ( 9.289 -2.314 -3.106) 10.064 3.281 ( 3.004 9.080 0.768) 9.595 3.439 ( 0.616 -0.486 3.764) 3.845 3.503 ( -2.399 -1.384 4.377) 5.180 3.577 ( -7.291 -5.038 7.214) 11.427 3.988 ( 3.183 2.080 4.660) 6.014 4.058 ( 0.598 2.099 4.428) 4.937 4.254 ( -2.093 -5.666 -3.349) 6.907 4.509 ( 3.416 -0.902 13.477) 13.932 4.911 ( 6.077 -0.590 19.108) 20.059 5.110 ( -2.943 6.967 -10.845) 13.222 5.317 ( -12.821 2.081 8.907) 15.750 5.563 ( -3.951 -5.138 -1.521) 6.658 5.720 ( -0.064 -0.591 6.201) 6.230 6.072 ( -4.427 1.907 -8.610) 9.867 6.432 ( -2.232 4.018 -8.104) 9.317 6.631 ( -4.683 -1.421 -7.532) 8.982 6.902 ( 3.970 -4.856 -17.503) 18.593 7.284 ( 0.022 -1.652 4.066) 4.389 7.375 ( 6.835 1.466 -3.730) 7.923 7.612 ( 1.454 1.321 2.361) 3.072 7.876 ( -9.349 -2.182 -5.001) 10.825 8.049 ( 1.585 -0.574 -3.349) 3.749 8.630 ( -1.139 5.376 -3.362) 6.442 8.803 ( -0.640 -2.554 2.007) 3.310 9.255 ( 4.749 1.879 1.223) 5.252 9.338 ( 1.020 -2.748 -1.728) 3.403 9.740 ( 7.178 -0.898 8.518) 11.175 9.876 ( 0.765 -0.947 -19.503) 19.541 10.843 ( -5.306 8.099 6.632) 11.735 11.083 ( 1.070 3.306 8.653) 9.325 11.582 ( -1.509 -1.773 -0.048) 2.329 11.693 ( -1.387 -3.563 -6.474) 7.519 11.909 ( -5.435 2.862 -5.289) 8.106 12.066 ( -0.907 0.459 4.290) 4.409 12.681 ( -12.642 -2.687 -6.695) 14.556 13.198 ( 4.834 -0.099 9.832) 10.957 14.595 ( -2.008 -0.048 9.657) 9.863 15.130 ( -2.286 -0.912 -2.966) 3.854 15.234 ( 0.282 -0.524 6.456) 6.483 15.578 ( 5.208 -0.719 -0.987) 5.349 20.098 ( 2.226 -0.528 5.560) 6.012 20.213 ( -7.601 -0.718 3.627) 8.452 20.605 ( 10.489 0.566 -0.328) 10.510 21.080 ( -0.300 3.245 6.670) 7.424 21.726 ( 2.072 -0.263 -4.818) 5.252 22.114 ( -13.470 2.328 -2.136) 13.836 22.243 ( -9.585 -4.218 -0.571) 10.487 22.782 ( 8.901 0.107 -2.626) 9.281 23.298 ( -0.252 0.248 2.158) 2.187 23.536 ( -2.355 -2.219 1.075) 3.410 23.603 ( -1.276 2.528 1.942) 3.434 24.188 ( 8.355 1.550 -14.082) 16.447 ======================= Grid point 157 (82/128) ======================= q-point: ( 0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -0.815 8.215 5.315) 9.819 1.901 ( 7.565 2.772 5.381) 9.689 2.145 ( 4.898 3.585 6.074) 8.587 2.205 ( 10.770 -4.449 8.755) 14.576 2.362 ( -0.963 -0.448 -0.666) 1.253 2.485 ( 1.535 3.246 1.232) 3.796 2.693 ( 4.113 -7.220 -4.706) 9.549 2.874 ( 7.110 -0.531 -3.533) 7.958 3.135 ( -2.227 9.186 -2.324) 9.734 3.423 ( -3.995 1.090 3.032) 5.132 3.467 ( -7.313 -2.204 6.892) 10.287 3.642 ( -0.151 -6.097 4.499) 7.578 3.992 ( -0.202 5.242 8.671) 10.134 4.026 ( 3.946 4.137 -6.293) 8.501 4.269 ( -4.738 -3.205 1.115) 5.828 4.550 ( -1.366 0.463 4.669) 4.887 4.962 ( -6.155 3.715 6.102) 9.429 5.075 ( 1.404 0.780 -1.513) 2.206 5.179 ( 1.758 0.095 20.299) 20.375 5.611 ( -1.718 -6.119 1.445) 6.518 5.761 ( 1.930 -1.221 4.247) 4.822 5.971 ( -3.027 -0.846 -9.725) 10.221 6.323 ( -4.141 1.409 -7.823) 8.963 6.538 ( -7.433 -2.170 -8.614) 11.583 6.933 ( 1.105 -2.490 -19.553) 19.742 7.307 ( -0.584 -1.538 2.853) 3.293 7.508 ( 13.177 0.188 -0.891) 13.208 7.620 ( 2.656 3.257 0.967) 4.313 7.815 ( -4.954 -3.963 -2.482) 6.812 8.099 ( 3.879 -3.240 -1.081) 5.168 8.512 ( -3.387 5.409 -2.847) 6.988 8.817 ( -1.883 -1.246 0.573) 2.330 9.230 ( -2.151 1.530 -1.034) 2.835 9.428 ( 5.562 0.092 0.875) 5.631 9.853 ( 1.461 -2.550 -11.452) 11.823 9.889 ( 6.677 -1.167 0.885) 6.836 10.645 ( -4.545 9.970 8.923) 14.131 11.047 ( -2.094 3.828 5.485) 7.009 11.464 ( -5.241 0.713 -19.244) 19.957 11.774 ( -6.985 -8.672 6.197) 12.743 11.812 ( -0.816 2.055 -0.659) 2.307 12.137 ( 11.344 2.059 7.808) 13.924 12.555 ( -10.307 -4.398 -8.106) 13.830 13.272 ( 1.662 -0.061 8.466) 8.628 14.607 ( -1.234 -0.843 8.795) 8.922 15.116 ( -1.583 -2.129 -3.027) 4.025 15.260 ( -0.142 -0.250 6.083) 6.089 15.644 ( 3.732 -0.037 -1.777) 4.133 20.144 ( -3.013 -0.616 2.757) 4.130 20.177 ( 1.335 -1.711 6.707) 7.049 20.738 ( 6.641 -0.496 -0.118) 6.661 20.972 ( -1.750 6.786 3.644) 7.899 21.829 ( 4.165 -1.000 1.317) 4.481 21.854 ( -10.572 1.781 -7.297) 12.968 22.202 ( -9.649 -7.489 2.304) 12.429 22.866 ( 6.487 2.055 -2.793) 7.355 23.306 ( 0.752 -0.119 2.036) 2.173 23.508 ( -3.636 1.485 2.104) 4.455 23.598 ( 0.757 -2.226 1.929) 3.041 24.193 ( 5.034 4.758 -13.789) 15.431 ======================= Grid point 158 (83/128) ======================= q-point: (-0.43 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -0.449 7.482 13.044) 15.044 1.971 ( 6.601 4.595 8.590) 11.768 2.115 ( 0.195 6.786 5.170) 8.533 2.276 ( -6.408 3.714 1.601) 7.578 2.427 ( 5.819 0.164 2.224) 6.232 2.433 ( -0.877 -0.214 2.393) 2.557 2.798 ( 0.633 2.096 -7.938) 8.234 2.900 ( 2.549 0.033 1.820) 3.132 2.982 ( -1.998 5.114 -6.769) 8.716 3.338 ( -5.715 -1.231 0.800) 5.901 3.460 ( -1.608 -0.946 4.760) 5.112 3.671 ( -4.537 0.008 0.604) 4.577 3.946 ( -1.839 -0.809 8.890) 9.114 3.976 ( 2.407 8.900 1.289) 9.310 4.267 ( 3.705 3.148 4.588) 6.685 4.484 ( -4.990 3.946 6.025) 8.763 4.762 ( -13.063 0.736 4.099) 13.711 5.179 ( 5.046 -7.645 -0.877) 9.201 5.310 ( 3.449 -0.242 14.987) 15.381 5.672 ( 0.890 -1.435 6.323) 6.545 5.837 ( 0.637 -3.496 1.517) 3.864 5.988 ( 1.510 -7.309 -12.614) 14.656 6.234 ( -2.871 0.089 -7.563) 8.090 6.476 ( -3.568 -4.499 -6.063) 8.351 6.917 ( 1.624 -0.483 -16.786) 16.871 7.320 ( -1.098 -0.273 -0.647) 1.303 7.566 ( 2.828 5.995 -2.289) 7.013 7.724 ( 13.035 -2.024 0.593) 13.205 7.820 ( -1.401 -3.081 -0.832) 3.485 8.245 ( 5.755 -4.551 1.985) 7.600 8.351 ( -6.932 3.607 -5.690) 9.666 8.797 ( -3.604 -0.776 2.845) 4.657 9.181 ( -1.706 0.257 -0.820) 1.910 9.460 ( 3.130 3.812 0.420) 4.950 9.830 ( -1.938 0.867 -13.878) 14.040 10.001 ( 5.159 -1.026 1.578) 5.492 10.541 ( 0.845 3.569 10.680) 11.293 10.958 ( -5.044 2.045 2.696) 6.073 11.355 ( -1.566 -0.776 -17.887) 17.972 11.809 ( -6.109 -5.419 8.551) 11.824 11.810 ( 1.608 -2.069 -0.214) 2.629 12.329 ( 15.719 2.396 8.696) 18.123 12.463 ( -8.829 -4.799 -9.862) 14.080 13.301 ( -1.096 -0.378 6.501) 6.604 14.637 ( -1.465 -2.174 8.181) 8.591 15.127 ( -1.001 -2.871 -3.149) 4.378 15.272 ( -0.498 0.403 5.645) 5.681 15.665 ( 1.494 1.487 -3.029) 3.690 20.118 ( -3.403 -1.378 3.621) 5.157 20.255 ( 3.168 -0.970 4.913) 5.926 20.683 ( -7.314 3.130 0.016) 7.956 21.044 ( 13.785 -0.536 2.648) 14.047 21.560 ( -15.854 2.401 -3.241) 16.359 22.013 ( 10.505 -1.810 -0.146) 10.661 22.194 ( -9.252 -7.947 3.815) 12.780 22.882 ( 4.196 4.839 -3.190) 7.155 23.333 ( 1.252 -0.601 1.870) 2.329 23.443 ( -2.354 1.431 1.018) 2.937 23.665 ( 0.401 -4.010 2.821) 4.920 24.116 ( 2.981 7.395 -12.478) 14.808 ======================= Grid point 159 (84/128) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 1.687 6.949 17.300) 18.720 1.915 ( -5.825 12.610 17.458) 22.310 2.036 ( -0.138 5.940 2.821) 6.578 2.132 ( -4.980 0.347 -1.735) 5.285 2.298 ( -4.960 4.578 -1.351) 6.884 2.522 ( 2.825 2.867 -0.184) 4.029 2.702 ( 0.675 6.195 -4.034) 7.423 2.810 ( -5.756 1.649 -10.526) 12.110 2.998 ( 1.272 -2.457 -0.263) 2.779 3.320 ( 0.103 -0.732 -2.936) 3.027 3.459 ( -0.300 -0.675 2.709) 2.808 3.587 ( -1.380 5.466 6.447) 8.565 3.865 ( -0.718 7.266 7.557) 10.508 4.008 ( 0.499 -3.371 11.792) 12.275 4.267 ( 2.782 7.058 4.952) 9.060 4.382 ( -2.654 3.896 7.605) 8.947 4.661 ( -6.775 -3.717 4.186) 8.789 5.346 ( 0.806 -4.543 9.513) 10.573 5.379 ( 0.217 -5.107 2.504) 5.692 5.732 ( 2.595 -1.249 3.516) 4.545 5.834 ( -5.857 -1.796 -5.750) 8.402 6.085 ( -1.387 -7.602 -8.451) 11.452 6.223 ( 3.052 -1.834 -7.120) 7.961 6.572 ( 7.038 -6.293 -2.178) 9.689 6.889 ( 2.034 2.076 -12.693) 13.021 7.263 ( -1.566 3.577 -4.485) 5.947 7.521 ( 1.873 3.703 -2.132) 4.665 7.839 ( -0.298 -3.166 -1.743) 3.627 7.955 ( 12.302 -2.496 1.597) 12.654 8.110 ( -10.517 4.310 -10.058) 15.177 8.443 ( 5.293 -5.312 4.480) 8.735 8.768 ( -4.677 -2.213 3.205) 6.086 9.176 ( -0.386 -0.920 1.167) 1.536 9.421 ( 1.916 5.694 -0.731) 6.052 9.700 ( -4.549 3.848 -10.947) 12.464 10.064 ( 3.354 0.010 -5.838) 6.733 10.600 ( 3.731 -0.938 13.090) 13.643 10.890 ( -5.521 -2.126 3.332) 6.790 11.338 ( 2.134 -1.886 -12.403) 12.726 11.832 ( -3.098 -3.677 6.749) 8.287 11.900 ( 3.624 -4.342 0.891) 5.726 12.375 ( -7.608 -4.017 -12.390) 15.084 12.547 ( 15.144 2.216 9.481) 18.004 13.293 ( -3.576 -0.923 3.494) 5.085 14.674 ( -2.904 -3.504 7.908) 9.124 15.148 ( -0.998 -2.939 -3.192) 4.453 15.268 ( -0.419 1.374 5.245) 5.438 15.619 ( -1.066 3.742 -3.978) 5.565 20.108 ( -2.924 -1.339 4.597) 5.611 20.301 ( 1.008 0.467 1.072) 1.544 20.581 ( -1.108 1.260 2.694) 3.174 21.099 ( -14.868 -0.973 -5.847) 16.006 21.523 ( 16.909 -2.512 7.106) 18.513 22.123 ( -4.669 -5.350 -1.683) 7.297 22.231 ( 2.984 -2.913 5.649) 7.022 22.821 ( 1.531 7.295 -3.685) 8.315 23.355 ( -1.010 -0.745 1.885) 2.265 23.424 ( 1.011 -0.558 -0.567) 1.287 23.728 ( -1.120 -3.470 2.626) 4.494 24.006 ( 3.646 8.163 -10.323) 13.657 ======================= Grid point 160 (85/128) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 5.097 6.614 16.517) 18.508 1.663 ( -6.138 12.250 17.255) 22.033 1.890 ( -6.372 5.145 1.875) 8.402 2.091 ( -3.892 1.628 -1.213) 4.389 2.239 ( 2.098 -0.652 -0.732) 2.315 2.493 ( 2.025 3.710 -2.130) 4.733 2.558 ( -5.254 2.822 -4.335) 7.373 2.729 ( 1.500 5.068 -14.635) 15.560 3.029 ( -0.060 -3.006 1.010) 3.171 3.338 ( 2.020 -0.909 -2.884) 3.636 3.474 ( -0.139 2.477 5.973) 6.468 3.550 ( 5.813 5.241 10.652) 13.219 3.838 ( 1.063 -0.074 8.519) 8.585 4.092 ( 0.458 -0.380 8.762) 8.782 4.188 ( -0.963 5.438 14.234) 15.268 4.324 ( -0.887 4.722 6.952) 8.451 4.680 ( -2.127 -4.259 6.241) 7.849 5.409 ( -0.866 -2.879 8.308) 8.836 5.480 ( -1.958 -6.278 4.758) 8.117 5.697 ( -8.896 -0.356 -9.604) 13.095 5.815 ( 2.599 -1.516 -1.846) 3.531 6.119 ( -3.743 -5.775 -4.791) 8.386 6.307 ( 5.949 -3.041 -8.584) 10.878 6.759 ( 8.455 -2.106 -2.434) 9.047 6.827 ( 1.484 5.529 -8.011) 9.846 7.196 ( 1.978 1.977 -8.008) 8.482 7.482 ( -1.556 1.473 -0.860) 2.309 7.854 ( -6.599 2.562 -1.724) 7.286 7.905 ( -2.610 -2.597 -8.778) 9.519 8.136 ( 6.565 -2.629 -1.228) 7.178 8.590 ( 4.702 -3.582 5.016) 7.752 8.749 ( -5.542 -3.660 1.225) 6.754 9.182 ( -0.592 -0.057 -0.158) 0.616 9.357 ( 2.395 6.398 0.393) 6.843 9.573 ( -2.200 2.136 -7.203) 7.828 10.057 ( 0.986 1.120 -12.720) 12.807 10.736 ( 5.502 -2.458 16.027) 17.122 10.889 ( -4.953 -5.809 5.400) 9.351 11.367 ( 3.847 0.718 -5.741) 6.948 11.864 ( -2.885 -3.988 2.745) 5.637 12.024 ( 3.687 -4.364 0.190) 5.716 12.284 ( -6.991 -2.745 -13.234) 15.217 12.745 ( 13.099 1.896 10.057) 16.622 13.240 ( -7.028 -0.927 -1.010) 7.161 14.692 ( -6.032 -3.500 8.311) 10.849 15.162 ( -1.323 -2.211 -1.732) 3.104 15.254 ( 0.116 2.217 3.962) 4.542 15.516 ( -1.330 5.220 -3.070) 6.200 20.093 ( -3.320 -0.365 5.174) 6.159 20.303 ( 2.184 0.364 -1.368) 2.603 20.617 ( -0.630 -2.600 5.350) 5.981 20.840 ( -11.418 3.264 -2.962) 12.239 21.919 ( 19.024 -8.325 4.299) 21.206 22.081 ( -8.790 -4.963 -1.252) 10.172 22.332 ( 4.111 -0.151 3.846) 5.631 22.703 ( -0.491 7.543 -4.063) 8.582 23.343 ( -2.659 -0.815 1.610) 3.214 23.474 ( 3.134 -2.213 -1.935) 4.296 23.727 ( -3.857 -0.206 1.092) 4.014 23.951 ( 7.098 5.203 -7.644) 11.657 ======================= Grid point 163 (86/128) ======================= q-point: ( 0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 3.294 0.000 -4.901) 5.905 1.989 ( 9.792 0.000 5.037) 11.012 2.098 ( 10.717 0.000 9.331) 14.210 2.185 ( 7.410 0.000 5.756) 9.383 2.379 ( 1.304 0.000 -2.587) 2.898 2.436 ( 8.201 0.000 -4.502) 9.355 2.629 ( 2.139 0.000 2.409) 3.222 2.852 ( 9.798 0.000 -1.336) 9.889 3.321 ( -11.045 -0.000 -0.547) 11.059 3.389 ( -7.954 -0.000 2.395) 8.307 3.460 ( -3.371 -0.000 14.304) 14.696 3.522 ( 3.640 0.000 4.637) 5.895 4.097 ( 8.216 0.000 4.105) 9.185 4.113 ( -5.543 -0.000 -14.482) 15.506 4.144 ( 2.862 0.000 10.497) 10.880 4.540 ( -0.921 -0.000 0.844) 1.249 5.029 ( 0.153 0.000 16.653) 16.654 5.184 ( 6.314 0.000 -3.033) 7.005 5.208 ( -7.658 -0.000 15.146) 16.972 5.400 ( -6.398 -0.000 -3.399) 7.244 5.775 ( 2.357 0.000 10.148) 10.418 5.953 ( -8.679 -0.000 -10.902) 13.935 6.327 ( -9.968 -0.000 -6.777) 12.054 6.540 ( -7.045 -0.000 -9.207) 11.593 6.869 ( 4.767 0.000 -20.302) 20.854 7.293 ( 1.089 0.000 2.467) 2.696 7.497 ( 10.336 0.000 -2.906) 10.736 7.661 ( 2.688 0.000 -0.582) 2.751 7.760 ( -2.394 -0.000 3.495) 4.236 8.049 ( 0.989 0.000 -2.127) 2.346 8.681 ( 1.129 0.000 -6.378) 6.477 8.713 ( -6.239 -0.000 0.221) 6.243 9.260 ( -3.261 -0.000 -2.966) 4.408 9.427 ( 10.405 0.000 3.502) 10.978 9.831 ( 2.049 0.000 -19.426) 19.534 9.849 ( 5.406 0.000 9.368) 10.816 10.857 ( -4.928 -0.000 5.792) 7.604 11.151 ( 0.865 0.000 7.874) 7.922 11.507 ( -12.544 -0.000 10.558) 16.396 11.524 ( -5.513 -0.000 -20.238) 20.976 11.847 ( -4.216 -0.000 -4.521) 6.182 12.170 ( 11.380 0.000 7.373) 13.560 12.477 ( -10.661 -0.000 -6.432) 12.451 13.273 ( 1.924 0.000 8.217) 8.439 14.592 ( -2.456 -0.000 9.276) 9.596 15.079 ( -2.254 -0.000 -2.669) 3.493 15.261 ( 0.981 0.000 6.632) 6.705 15.644 ( 4.974 0.000 -1.558) 5.213 20.129 ( -5.156 -0.000 3.520) 6.243 20.155 ( 3.707 0.000 6.747) 7.698 20.730 ( 5.954 0.000 -2.285) 6.377 21.083 ( -3.041 -0.000 3.390) 4.554 21.811 ( 10.820 0.000 -0.548) 10.833 21.978 ( -12.744 -0.000 2.855) 13.060 21.994 ( -14.102 -0.000 -5.748) 15.228 22.889 ( 6.956 0.000 -2.612) 7.430 23.310 ( 0.704 0.000 2.427) 2.527 23.487 ( -2.572 -0.000 1.878) 3.184 23.608 ( -1.686 -0.000 3.368) 3.767 24.265 ( 6.690 0.000 -16.219) 17.545 ======================= Grid point 164 (87/128) ======================= q-point: ( 0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 3.197 7.882 0.615) 8.528 2.123 ( 11.102 4.077 4.723) 12.735 2.204 ( 0.987 0.033 2.342) 2.541 2.290 ( 0.096 -2.485 2.493) 3.522 2.405 ( 7.787 2.325 3.864) 8.998 2.577 ( 5.095 1.909 0.111) 5.442 2.652 ( 2.127 -3.340 0.839) 4.048 2.972 ( 6.753 0.764 -0.661) 6.828 3.143 ( -8.590 3.336 -2.822) 9.638 3.273 ( -10.919 -2.353 3.454) 11.692 3.436 ( -3.570 0.505 11.293) 11.855 3.607 ( 1.703 -2.523 6.735) 7.391 3.953 ( -7.701 1.117 -9.774) 12.493 4.194 ( 4.399 3.442 3.871) 6.796 4.269 ( 9.391 -0.196 4.894) 10.591 4.521 ( -2.304 -2.217 -1.696) 3.620 4.921 ( -9.667 6.533 7.246) 13.734 5.128 ( -1.334 4.483 3.566) 5.882 5.307 ( 5.145 -0.669 15.795) 16.626 5.463 ( 0.449 -9.061 4.203) 9.999 5.815 ( -7.583 -3.121 -10.265) 13.139 5.827 ( 1.950 0.201 4.607) 5.007 6.189 ( -7.514 -1.835 -5.952) 9.760 6.397 ( -7.613 -0.969 -9.148) 11.941 6.884 ( 4.112 -1.195 -19.788) 20.246 7.313 ( 1.681 0.200 -1.834) 2.495 7.640 ( 7.258 -1.420 -4.229) 8.519 7.694 ( 6.393 0.711 -1.664) 6.644 7.794 ( 2.527 0.914 8.451) 8.867 8.104 ( 4.318 -3.380 3.003) 6.252 8.523 ( -7.111 6.638 -5.251) 11.054 8.721 ( -4.079 -4.474 -3.035) 6.773 9.203 ( -2.080 0.708 -4.387) 4.907 9.565 ( 8.344 2.159 4.645) 9.790 9.806 ( 1.702 -0.576 -17.362) 17.455 9.952 ( 3.632 -1.879 5.975) 7.241 10.753 ( -3.496 7.135 8.940) 11.961 11.095 ( -4.510 7.334 5.607) 10.274 11.336 ( -5.908 -0.776 -14.726) 15.886 11.516 ( -7.604 -11.327 2.636) 13.895 11.790 ( -2.049 -0.576 -3.627) 4.205 12.339 ( -9.419 -2.728 -6.613) 11.828 12.382 ( 15.430 0.983 8.627) 17.705 13.300 ( -1.059 0.123 6.049) 6.143 14.585 ( -3.537 -1.068 9.427) 10.125 15.055 ( -1.553 -1.410 -2.461) 3.233 15.295 ( 1.503 0.579 6.332) 6.534 15.696 ( 3.524 0.557 -2.528) 4.373 20.088 ( -3.178 -0.632 3.789) 4.985 20.236 ( 4.163 -0.240 7.839) 8.879 20.715 ( -6.553 0.018 -3.283) 7.330 21.094 ( 6.767 1.937 -0.342) 7.047 21.692 ( -12.653 6.472 -1.182) 14.261 21.925 ( -10.136 -8.083 -1.095) 13.011 21.993 ( 11.319 -1.254 4.102) 12.104 22.956 ( 4.656 0.840 -3.521) 5.897 23.331 ( 1.674 0.294 2.348) 2.899 23.468 ( -2.778 -0.851 2.670) 3.946 23.593 ( -0.937 -0.015 3.647) 3.765 24.268 ( 3.589 2.694 -16.500) 17.099 ======================= Grid point 165 (88/128) ======================= q-point: (-0.43 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 4.431 9.136 9.105) 13.638 2.148 ( -3.327 3.346 4.122) 6.266 2.215 ( 0.822 3.844 0.517) 3.965 2.229 ( 0.239 4.876 3.049) 5.756 2.502 ( -1.984 9.048 4.575) 10.331 2.519 ( 4.720 -1.289 2.682) 5.580 2.782 ( 3.608 -4.899 -3.064) 6.813 2.934 ( -9.182 6.188 -2.254) 11.300 2.962 ( -1.674 3.401 -0.267) 3.800 3.241 ( -1.015 -3.939 0.067) 4.068 3.464 ( 0.637 -1.976 7.973) 8.239 3.616 ( -3.679 1.660 0.194) 4.041 3.876 ( -2.468 -3.864 1.062) 4.706 4.153 ( -0.205 5.785 -1.930) 6.102 4.380 ( 3.722 -0.966 5.162) 6.436 4.542 ( 2.631 3.647 10.262) 11.204 4.691 ( -5.011 10.615 5.437) 12.937 5.131 ( 0.874 -4.715 2.376) 5.352 5.378 ( -1.411 0.491 11.680) 11.775 5.596 ( -1.824 -7.727 4.993) 9.379 5.760 ( -6.864 -5.274 -9.124) 12.577 5.877 ( 1.016 -3.021 -1.435) 3.495 6.160 ( 1.396 -2.727 -5.993) 6.730 6.367 ( 0.797 -5.859 -4.181) 7.242 6.899 ( 4.074 -0.700 -17.649) 18.127 7.318 ( 0.933 0.671 -5.167) 5.293 7.665 ( 3.806 3.266 -4.823) 6.958 7.802 ( 3.030 2.221 5.314) 6.508 7.866 ( 7.322 -3.315 1.711) 8.218 8.270 ( -0.849 -1.995 -0.336) 2.194 8.285 ( -2.059 3.112 -1.919) 4.196 8.695 ( -6.777 -3.436 -0.314) 7.605 9.165 ( -0.078 0.472 -3.372) 3.406 9.604 ( 4.813 6.191 3.759) 8.696 9.771 ( -1.677 0.450 -13.827) 13.936 10.032 ( 2.420 -2.096 -1.024) 3.361 10.666 ( 0.756 5.236 12.808) 13.858 10.916 ( -8.001 4.381 2.450) 9.445 11.271 ( 0.192 -2.164 -16.847) 16.987 11.619 ( -4.371 -10.217 8.764) 14.152 11.795 ( 0.537 -2.970 -3.649) 4.735 12.243 ( -8.478 -4.238 -8.260) 12.572 12.609 ( 15.420 1.652 9.113) 17.988 13.280 ( -3.613 -0.030 3.389) 4.954 14.583 ( -4.471 -2.416 9.898) 11.127 15.061 ( -0.804 -2.447 -2.366) 3.498 15.321 ( 1.890 1.625 5.818) 6.329 15.704 ( 1.427 1.980 -3.618) 4.364 20.078 ( -1.626 -0.736 4.641) 4.972 20.311 ( 2.728 0.358 6.686) 7.230 20.593 ( -7.816 -0.259 -1.135) 7.902 21.120 ( -3.318 1.792 -5.691) 6.827 21.533 ( 4.745 2.888 3.824) 6.744 21.909 ( -9.429 -8.346 -0.660) 12.609 22.177 ( 10.237 -0.807 5.042) 11.440 22.966 ( 1.849 2.605 -4.919) 5.865 23.358 ( 1.519 0.574 2.285) 2.803 23.439 ( -1.652 0.812 1.896) 2.643 23.619 ( -0.555 -2.934 4.013) 5.002 24.196 ( 1.226 4.501 -15.402) 16.093 ======================= Grid point 166 (89/128) ======================= q-point: (-0.29 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.717 ( 6.506 8.477 14.349) 17.891 2.006 ( -11.207 2.968 3.182) 12.022 2.045 ( -5.946 9.905 10.106) 15.349 2.240 ( 4.298 8.966 6.437) 11.845 2.316 ( -2.894 5.956 -2.499) 7.077 2.532 ( -7.802 -1.184 -2.822) 8.381 2.710 ( -2.078 6.222 -5.678) 8.676 2.847 ( 5.660 3.619 -2.711) 7.244 2.959 ( -1.083 -2.762 0.698) 3.048 3.310 ( 2.707 -3.050 -1.847) 4.477 3.487 ( 2.148 2.230 -1.273) 3.348 3.564 ( -3.867 -2.602 5.957) 7.564 3.927 ( -1.439 -1.347 3.373) 3.907 4.070 ( 0.227 1.726 1.662) 2.406 4.438 ( -2.049 1.344 6.317) 6.776 4.485 ( 5.749 11.227 19.298) 23.054 4.587 ( 0.660 3.322 4.507) 5.638 5.272 ( 3.223 -7.382 3.386) 8.737 5.346 ( -5.983 -0.970 3.420) 6.960 5.651 ( -5.871 -3.378 -1.311) 6.899 5.723 ( -4.324 -6.044 -0.072) 7.432 5.918 ( -1.824 -4.897 -5.101) 7.302 6.239 ( 5.640 -2.185 -5.862) 8.423 6.564 ( 9.640 -9.712 -1.760) 13.797 6.909 ( 3.803 0.479 -15.256) 15.730 7.278 ( -0.318 2.430 -8.474) 8.821 7.627 ( 2.027 7.126 0.119) 7.409 7.821 ( 1.003 -1.204 1.429) 2.121 7.955 ( -8.420 1.536 -5.465) 10.155 8.072 ( 2.918 0.478 -3.014) 4.223 8.468 ( 6.439 -4.355 4.459) 8.961 8.651 ( -6.476 -3.483 1.570) 7.519 9.169 ( 0.912 -0.606 -0.194) 1.112 9.569 ( 3.965 7.521 3.002) 9.017 9.655 ( -4.402 3.141 -10.429) 11.747 10.068 ( 1.514 -0.804 -9.478) 9.632 10.681 ( -0.763 -0.340 11.504) 11.534 10.803 ( -3.332 0.596 7.699) 8.410 11.307 ( 4.789 -3.772 -12.954) 14.317 11.719 ( -3.294 -6.694 8.373) 11.214 11.861 ( 1.354 -5.360 -5.233) 7.613 12.177 ( -6.618 -4.496 -8.049) 11.349 12.810 ( 13.139 2.172 9.290) 16.238 13.220 ( -6.041 -0.262 0.168) 6.049 14.588 ( -5.102 -3.149 10.434) 12.034 15.087 ( 0.003 -2.687 -2.315) 3.547 15.332 ( 1.745 2.733 5.283) 6.199 15.655 ( -0.380 3.787 -4.134) 5.620 20.085 ( -0.755 -0.118 5.687) 5.738 20.325 ( 0.079 1.181 1.089) 1.608 20.539 ( -4.722 -2.542 5.523) 7.699 20.946 ( -8.171 3.572 -5.017) 10.232 21.740 ( 17.280 -3.782 4.710) 18.306 21.891 ( -9.099 -7.032 -1.785) 11.637 22.323 ( 7.045 -0.267 5.031) 8.661 22.893 ( -1.795 4.976 -6.402) 8.305 23.347 ( -1.493 1.295 2.260) 3.002 23.446 ( 2.552 -0.199 -0.060) 2.561 23.665 ( -1.821 -3.118 3.714) 5.180 24.101 ( 1.303 4.143 -12.974) 13.682 ======================= Grid point 167 (90/128) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( 7.921 8.057 10.772) 15.610 1.817 ( -4.688 7.423 13.282) 15.921 1.839 ( -8.302 6.304 7.954) 13.113 2.107 ( -5.229 5.276 2.712) 7.908 2.295 ( 3.120 2.733 -0.138) 4.150 2.411 ( -4.774 -1.444 -3.147) 5.898 2.642 ( 4.230 5.217 -3.932) 7.783 2.836 ( 4.067 6.910 -10.284) 13.040 2.980 ( -0.031 -3.701 0.263) 3.710 3.378 ( 4.783 -0.417 -3.729) 6.079 3.503 ( 0.471 0.776 6.264) 6.329 3.604 ( 0.102 -4.596 3.775) 5.948 3.891 ( -1.481 1.187 3.100) 3.634 4.105 ( -1.205 -1.402 4.066) 4.466 4.367 ( 1.735 7.398 20.035) 21.428 4.476 ( 5.554 11.109 4.181) 13.105 4.622 ( 0.768 -4.042 14.299) 14.880 5.261 ( -10.480 -4.849 -10.484) 15.597 5.419 ( 1.202 -4.523 6.938) 8.369 5.578 ( -5.987 0.049 5.606) 8.202 5.802 ( 1.532 -5.514 -1.705) 5.971 5.944 ( -3.186 -5.509 -3.550) 7.287 6.323 ( 4.549 -2.103 -8.870) 10.188 6.819 ( 8.185 -3.877 -4.554) 10.137 6.895 ( 3.873 1.522 -9.138) 10.041 7.211 ( 0.835 1.263 -12.447) 12.538 7.522 ( -2.576 6.737 3.243) 7.908 7.710 ( -11.211 1.196 -8.896) 14.362 7.904 ( 4.203 -1.124 2.340) 4.940 8.142 ( 0.984 -1.561 -3.571) 4.019 8.584 ( -2.455 -4.523 0.769) 5.203 8.655 ( 2.155 -2.517 4.451) 5.549 9.190 ( 1.041 0.273 0.812) 1.348 9.493 ( -0.434 6.681 -2.658) 7.203 9.574 ( 2.954 2.243 -0.649) 3.765 10.036 ( -0.094 1.213 -15.565) 15.612 10.703 ( -6.467 -7.104 7.121) 11.958 10.856 ( 3.898 -0.405 15.288) 15.782 11.421 ( 8.119 -2.695 -6.607) 10.809 11.766 ( -3.271 -3.804 0.360) 5.030 11.930 ( -2.663 -6.672 -5.895) 9.293 12.144 ( -3.661 -2.872 -3.929) 6.090 12.966 ( 9.759 2.101 10.081) 14.187 13.111 ( -9.223 0.382 -3.431) 9.848 14.593 ( -4.857 -2.551 10.703) 12.027 15.123 ( 0.750 -2.202 -1.877) 2.989 15.314 ( 0.098 3.706 4.486) 5.820 15.576 ( 0.351 4.461 -3.110) 5.449 20.084 ( -0.870 1.018 5.521) 5.682 20.342 ( 3.979 -0.614 -0.253) 4.035 20.484 ( -10.706 -0.874 5.900) 12.255 20.865 ( 3.133 0.563 0.756) 3.271 21.840 ( -8.248 -4.207 -3.190) 9.793 22.075 ( 14.081 -7.262 2.365) 16.018 22.395 ( 1.499 1.525 4.294) 4.797 22.754 ( -2.993 4.939 -6.982) 9.061 23.316 ( -1.600 0.579 1.790) 2.469 23.492 ( 3.084 -0.830 -1.659) 3.599 23.666 ( -3.674 -0.934 2.499) 4.540 24.057 ( 3.923 1.648 -10.287) 11.132 ======================= Grid point 171 (91/128) ======================= q-point: ( 0.43 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 4.751 0.000 -0.956) 4.846 2.223 ( -1.415 -0.000 0.962) 1.711 2.223 ( -6.062 -0.000 3.079) 6.799 2.300 ( 8.348 0.000 3.722) 9.140 2.508 ( -1.079 -0.000 6.375) 6.465 2.670 ( 7.405 0.000 -3.709) 8.282 2.671 ( 2.263 0.000 4.290) 4.850 3.039 ( -1.869 -0.000 -0.252) 1.886 3.090 ( 1.841 0.000 0.505) 1.909 3.112 ( -9.271 -0.000 0.978) 9.322 3.410 ( -4.459 -0.000 13.789) 14.492 3.647 ( 2.500 0.000 8.999) 9.340 3.812 ( -7.976 -0.000 -10.104) 12.872 4.221 ( -3.349 -0.000 4.147) 5.330 4.395 ( -7.028 -0.000 -3.750) 7.966 4.531 ( 19.150 0.000 0.390) 19.154 4.943 ( -0.074 -0.000 8.065) 8.065 5.128 ( -5.612 -0.000 8.877) 10.502 5.325 ( -3.894 -0.000 5.662) 6.872 5.469 ( 2.321 0.000 11.871) 12.096 5.626 ( -7.136 -0.000 -14.671) 16.314 5.851 ( -1.457 -0.000 2.837) 3.189 6.104 ( 0.950 0.000 -6.973) 7.038 6.283 ( -2.227 -0.000 -3.043) 3.771 6.881 ( 4.453 0.000 -18.695) 19.218 7.330 ( 2.395 0.000 -8.997) 9.311 7.723 ( 5.684 0.000 -1.553) 5.893 7.776 ( 6.783 0.000 1.253) 6.897 7.885 ( 3.476 0.000 8.688) 9.357 8.168 ( 6.892 0.000 6.338) 9.363 8.430 ( -11.557 -0.000 -5.634) 12.857 8.599 ( -5.914 -0.000 -4.740) 7.579 9.181 ( 0.421 0.000 -6.205) 6.219 9.708 ( 6.783 0.000 4.991) 8.422 9.771 ( 1.266 0.000 -19.715) 19.755 9.984 ( 0.717 0.000 6.927) 6.964 10.777 ( -3.787 -0.000 7.322) 8.243 11.121 ( -14.309 -0.000 7.010) 15.934 11.185 ( -0.047 -0.000 -4.982) 4.982 11.369 ( 1.919 0.000 -4.490) 4.883 11.744 ( -1.082 -0.000 -5.111) 5.224 12.172 ( -8.862 -0.000 -6.183) 10.806 12.634 ( 15.381 0.000 9.125) 17.884 13.281 ( -3.610 -0.000 3.315) 4.901 14.546 ( -4.753 -0.000 10.283) 11.329 15.022 ( -0.709 -0.000 -2.138) 2.252 15.347 ( 2.440 0.000 6.085) 6.555 15.733 ( 2.197 0.000 -3.317) 3.978 20.066 ( -1.062 -0.000 4.875) 4.990 20.318 ( 3.583 0.000 9.860) 10.491 20.586 ( -9.134 -0.000 -4.568) 10.213 21.155 ( -0.489 -0.000 -5.873) 5.893 21.670 ( -1.725 -0.000 -0.341) 1.758 21.687 ( -7.587 -0.000 2.455) 7.974 22.168 ( 11.191 0.000 5.385) 12.419 22.999 ( 2.397 0.000 -5.216) 5.741 23.373 ( 2.674 0.000 2.505) 3.664 23.437 ( -1.945 -0.000 2.988) 3.565 23.586 ( -1.544 -0.000 4.361) 4.627 24.264 ( 0.300 0.000 -17.473) 17.476 ======================= Grid point 172 (92/128) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( 6.220 5.662 5.222) 9.900 2.079 ( -12.257 1.781 4.788) 13.279 2.184 ( -2.587 1.771 1.181) 3.350 2.404 ( 3.678 1.740 1.401) 4.303 2.463 ( -6.850 -1.232 5.207) 8.692 2.638 ( -1.599 9.178 7.206) 11.778 2.762 ( 3.651 -2.872 -4.909) 6.759 2.956 ( -1.739 5.139 0.224) 5.430 2.981 ( -1.909 3.135 -2.395) 4.383 3.173 ( -0.031 -5.077 1.415) 5.271 3.447 ( -0.934 -3.210 14.512) 14.892 3.620 ( -2.641 4.564 -5.472) 7.599 3.786 ( -0.336 -6.144 4.928) 7.883 4.122 ( -7.330 1.207 -6.089) 9.605 4.332 ( -4.596 -2.882 5.481) 7.712 4.767 ( 15.368 5.877 2.897) 16.707 4.917 ( 3.079 10.823 11.490) 16.082 5.089 ( -0.028 -2.709 5.660) 6.275 5.281 ( -10.278 -5.041 3.215) 11.891 5.517 ( -2.083 -2.222 2.381) 3.866 5.556 ( -2.942 -4.477 -6.238) 8.222 5.837 ( -1.200 -1.566 -1.545) 2.506 6.162 ( 6.015 -2.888 -8.202) 10.573 6.340 ( 6.645 -3.453 2.296) 7.833 6.893 ( 4.074 -0.864 -17.396) 17.888 7.319 ( 1.236 0.662 -12.833) 12.909 7.777 ( 6.221 2.376 3.147) 7.365 7.861 ( -2.690 1.016 6.343) 6.964 7.939 ( 6.578 1.256 2.047) 7.002 8.183 ( -10.028 3.796 -7.250) 12.944 8.345 ( 7.137 -3.201 5.860) 9.774 8.524 ( -7.626 -4.231 -2.389) 9.043 9.172 ( 1.179 0.585 -5.092) 5.260 9.709 ( -1.031 1.154 -17.714) 17.781 9.771 ( 4.085 4.027 5.106) 7.680 10.015 ( -0.266 -1.879 1.566) 2.461 10.717 ( -5.189 1.691 3.686) 6.585 10.927 ( -4.765 6.597 11.103) 13.766 11.203 ( 2.077 -3.051 -12.033) 12.587 11.477 ( 1.186 -7.778 6.293) 10.076 11.745 ( 0.945 -2.210 -5.172) 5.704 12.054 ( -8.032 -2.846 -6.269) 10.579 12.858 ( 13.299 0.927 9.259) 16.231 13.221 ( -5.515 0.143 0.352) 5.528 14.521 ( -4.358 -1.222 10.819) 11.727 15.022 ( 0.208 -1.336 -2.068) 2.470 15.394 ( 2.805 1.187 5.567) 6.346 15.731 ( 0.328 1.315 -3.927) 4.154 20.085 ( 1.159 0.030 6.414) 6.518 20.372 ( 0.178 1.717 7.301) 7.502 20.469 ( -6.327 -2.016 -0.324) 6.649 21.033 ( -9.730 1.933 -7.123) 12.213 21.647 ( 1.509 -2.850 1.771) 3.680 21.749 ( 5.956 -1.691 0.142) 6.193 22.323 ( 8.261 0.168 6.387) 10.444 22.985 ( -0.585 1.375 -7.654) 7.798 23.400 ( 0.132 1.765 2.913) 3.409 23.437 ( 1.271 -0.691 1.998) 2.467 23.589 ( -1.188 -1.451 4.569) 4.939 24.182 ( -2.503 1.377 -16.437) 16.683 ======================= Grid point 173 (93/128) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( -12.101 1.754 9.460) 15.460 1.974 ( 6.168 6.800 7.014) 11.553 2.121 ( -1.647 4.796 6.742) 8.436 2.240 ( -16.459 3.638 4.327) 17.403 2.452 ( 4.635 4.371 -1.544) 6.555 2.465 ( -4.259 9.179 6.722) 12.148 2.780 ( 2.970 2.781 -7.002) 8.098 2.894 ( -3.769 -1.565 -0.129) 4.083 2.971 ( 4.451 2.646 -1.694) 5.449 3.266 ( 0.767 -7.009 1.028) 7.125 3.479 ( -4.672 -2.027 6.222) 8.040 3.553 ( 3.005 2.104 -2.157) 4.256 3.884 ( -1.040 -2.951 4.061) 5.127 4.024 ( -3.994 -2.600 0.825) 4.837 4.350 ( -4.150 -5.183 3.497) 7.505 4.777 ( 3.358 11.179 15.152) 19.127 4.839 ( 7.754 11.322 7.057) 15.431 5.170 ( -11.047 -2.285 -7.084) 13.320 5.267 ( 7.311 -5.536 5.179) 10.532 5.539 ( -3.439 -6.099 2.830) 7.552 5.571 ( -2.521 -2.166 3.724) 4.991 5.866 ( 3.003 -2.234 -7.310) 8.213 6.255 ( 3.701 -2.850 -8.144) 9.389 6.579 ( 13.108 -8.427 1.728) 15.679 6.907 ( 2.802 -0.940 -16.887) 17.144 7.268 ( -0.382 1.625 -13.804) 13.905 7.723 ( -8.328 5.610 3.694) 10.698 7.815 ( -5.925 4.628 -1.846) 7.742 7.906 ( 3.092 2.239 2.595) 4.616 8.111 ( 3.964 -0.138 -1.335) 4.185 8.473 ( -2.783 -3.294 1.049) 4.438 8.545 ( 4.173 -5.390 1.821) 7.056 9.174 ( 0.723 -0.630 -0.994) 1.381 9.605 ( -3.184 2.216 -12.935) 13.505 9.749 ( 3.548 7.060 5.008) 9.355 10.033 ( -0.307 -1.679 -6.957) 7.164 10.613 ( -6.586 0.724 0.864) 6.682 10.888 ( 1.838 2.951 15.663) 16.044 11.286 ( 6.093 -5.045 -8.729) 11.780 11.614 ( -0.057 -6.515 4.168) 7.734 11.778 ( -0.322 -2.977 -5.896) 6.613 12.011 ( -4.300 -5.497 -3.157) 7.660 13.027 ( 9.542 1.764 9.828) 13.811 13.125 ( -7.138 0.522 -2.704) 7.651 14.525 ( -2.827 -1.721 10.753) 11.251 15.053 ( 1.149 -2.233 -2.239) 3.365 15.417 ( 2.128 2.832 4.903) 6.048 15.684 ( -0.906 2.604 -3.900) 4.776 20.123 ( 2.108 1.468 7.167) 7.614 20.336 ( -0.475 0.208 -0.872) 1.014 20.453 ( -5.198 -1.235 9.286) 10.713 20.870 ( -6.738 -0.071 -4.091) 7.883 21.713 ( -1.352 -4.310 -1.971) 4.929 21.925 ( 14.012 -2.554 1.391) 14.311 22.427 ( 4.479 0.754 6.204) 7.689 22.883 ( -4.983 3.547 -10.362) 12.032 23.360 ( -1.597 2.212 2.553) 3.737 23.484 ( 3.065 -0.105 0.668) 3.139 23.616 ( -1.295 -2.173 4.131) 4.844 24.082 ( -2.629 0.224 -13.319) 13.578 ======================= Grid point 174 (94/128) ======================= q-point: (-0.14 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -11.194 2.401 9.457) 14.850 1.942 ( -1.289 7.408 5.174) 9.127 1.983 ( -7.864 1.094 9.373) 12.284 2.091 ( 3.064 6.934 11.534) 13.802 2.343 ( -0.662 3.484 3.963) 5.318 2.450 ( 3.994 3.159 -1.652) 5.354 2.759 ( 4.579 4.193 -5.952) 8.601 2.903 ( -2.152 -4.341 1.119) 4.972 2.936 ( 0.708 3.374 -9.471) 10.079 3.398 ( 3.145 -5.178 0.666) 6.095 3.474 ( -4.499 -3.824 2.573) 6.441 3.602 ( 6.252 -0.140 4.239) 7.555 3.856 ( -4.456 -0.682 2.464) 5.137 4.058 ( -2.594 -1.853 6.291) 7.052 4.385 ( -3.679 -6.447 0.839) 7.470 4.682 ( -1.673 9.750 12.199) 15.706 4.844 ( 10.597 8.388 12.192) 18.201 5.026 ( -7.247 -0.778 -8.111) 10.905 5.371 ( -5.092 -1.726 3.322) 6.320 5.533 ( -2.453 -1.251 10.957) 11.298 5.714 ( 6.712 -8.904 1.379) 11.235 5.907 ( 2.668 0.705 -8.078) 8.537 6.303 ( 1.567 -2.859 -10.334) 10.836 6.844 ( 2.131 -0.462 -12.732) 12.917 6.944 ( 11.879 -5.409 -1.626) 13.153 7.183 ( -1.336 1.344 -14.685) 14.807 7.556 ( -7.275 2.319 4.113) 8.673 7.585 ( -8.989 5.217 -4.014) 11.141 7.989 ( 6.545 1.707 3.089) 7.436 8.130 ( 0.126 1.504 -3.795) 4.084 8.472 ( -3.944 -3.473 1.676) 5.516 8.686 ( 5.334 -3.222 1.407) 6.388 9.203 ( 0.470 -1.362 2.101) 2.548 9.496 ( -2.724 2.302 -8.150) 8.897 9.727 ( 5.502 5.425 4.835) 9.114 10.004 ( -0.531 0.682 -13.390) 13.418 10.548 ( -5.732 -2.817 4.365) 7.736 10.939 ( 1.770 0.115 12.505) 12.630 11.468 ( 9.769 -6.285 -2.436) 11.869 11.652 ( -3.611 -3.272 -11.189) 12.204 11.812 ( 0.049 -3.452 2.906) 4.513 12.046 ( -2.508 -4.167 0.992) 4.964 12.984 ( -8.999 1.691 -5.636) 10.752 13.136 ( 5.860 1.900 10.620) 12.277 14.554 ( -0.960 -1.356 10.032) 10.168 15.101 ( 1.716 -2.280 -2.302) 3.666 15.386 ( -0.701 4.742 3.875) 6.164 15.627 ( 0.446 2.576 -2.619) 3.700 20.129 ( 0.955 2.496 5.024) 5.691 20.363 ( -4.922 0.082 1.167) 5.060 20.413 ( 3.976 -0.524 7.834) 8.801 20.847 ( -2.501 -5.010 1.530) 5.804 21.732 ( 0.896 -0.654 -4.037) 4.186 22.150 ( 7.153 -3.389 -0.745) 7.950 22.445 ( -1.257 3.016 5.804) 6.661 22.724 ( -4.215 1.344 -9.829) 10.779 23.321 ( -0.948 1.509 2.084) 2.742 23.514 ( 0.929 0.096 -0.683) 1.157 23.631 ( -0.600 -0.355 2.737) 2.825 24.045 ( 0.034 -2.627 -10.155) 10.490 ======================= Grid point 179 (95/128) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -14.047 -0.000 8.411) 16.373 2.071 ( 0.108 0.000 1.973) 1.976 2.160 ( -1.766 -0.000 5.221) 5.511 2.343 ( -7.924 -0.000 12.097) 14.462 2.500 ( 3.934 0.000 -1.697) 4.284 2.714 ( -3.269 -0.000 9.361) 9.915 2.751 ( -0.047 -0.000 -7.437) 7.437 2.941 ( -1.402 -0.000 -7.855) 7.979 2.973 ( -2.218 -0.000 -4.392) 4.920 3.121 ( -3.295 -0.000 8.167) 8.807 3.471 ( -1.373 -0.000 15.131) 15.194 3.599 ( -0.187 -0.000 -8.111) 8.113 3.771 ( 2.462 0.000 9.340) 9.659 3.994 ( -8.503 -0.000 -4.435) 9.590 4.267 ( -3.553 -0.000 4.951) 6.094 5.012 ( -14.049 -0.000 1.473) 14.126 5.027 ( 0.748 0.000 11.606) 11.630 5.126 ( -0.739 -0.000 10.242) 10.268 5.129 ( 21.536 0.000 -6.407) 22.468 5.463 ( 1.411 0.000 -6.656) 6.804 5.533 ( -0.959 -0.000 5.280) 5.366 5.826 ( 2.823 0.000 -2.547) 3.802 6.174 ( 3.597 0.000 -12.212) 12.730 6.459 ( 11.976 0.000 5.258) 13.079 6.882 ( 2.491 0.000 -17.237) 17.416 7.294 ( 0.621 0.000 -14.983) 14.995 7.794 ( -10.860 -0.000 2.289) 11.099 7.886 ( 2.208 0.000 7.118) 7.452 8.048 ( -7.587 -0.000 -4.510) 8.826 8.082 ( 8.619 0.000 3.348) 9.246 8.412 ( -2.056 -0.000 0.452) 2.105 8.414 ( 5.173 0.000 2.292) 5.658 9.171 ( -0.030 -0.000 -4.478) 4.478 9.643 ( -1.267 -0.000 -21.069) 21.107 9.870 ( 2.965 0.000 6.020) 6.710 9.988 ( -2.247 -0.000 2.327) 3.235 10.648 ( -5.402 -0.000 -2.076) 5.787 10.985 ( -0.828 -0.000 17.502) 17.521 11.178 ( 2.426 0.000 -7.927) 8.290 11.481 ( 5.258 0.000 2.747) 5.932 11.751 ( 3.570 0.000 -1.892) 4.040 11.898 ( -7.934 -0.000 -6.199) 10.068 13.056 ( 9.612 0.000 10.009) 13.877 13.134 ( -6.570 -0.000 -2.711) 7.107 14.500 ( -1.862 -0.000 10.400) 10.565 15.015 ( 1.069 0.000 -2.062) 2.323 15.462 ( 3.146 0.000 4.891) 5.815 15.722 ( -1.306 -0.000 -3.979) 4.188 20.151 ( 4.763 0.000 8.732) 9.946 20.344 ( -5.417 -0.000 -4.170) 6.836 20.426 ( -1.219 -0.000 12.810) 12.868 20.869 ( -11.577 -0.000 -6.742) 13.397 21.637 ( 3.473 0.000 0.228) 3.481 21.896 ( 12.230 0.000 -0.827) 12.258 22.440 ( 5.005 0.000 7.188) 8.759 22.938 ( -3.978 -0.000 -11.444) 12.116 23.410 ( -1.268 -0.000 2.261) 2.593 23.481 ( 3.706 0.000 2.392) 4.411 23.569 ( -1.684 -0.000 4.460) 4.767 24.083 ( -5.458 -0.000 -14.729) 15.708 ======================= Grid point 180 (96/128) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -10.597 -0.093 13.233) 16.953 1.944 ( -15.093 0.212 5.371) 16.022 2.201 ( -2.107 4.635 6.046) 7.904 2.252 ( 3.166 4.625 9.226) 10.795 2.504 ( -0.057 2.211 -6.090) 6.479 2.593 ( -3.646 8.512 9.124) 13.000 2.740 ( -6.576 -5.072 -0.248) 8.308 2.870 ( 1.948 3.585 -7.284) 8.348 2.989 ( -0.849 -2.667 -4.546) 5.338 3.135 ( -4.305 -7.255 6.098) 10.409 3.425 ( -4.075 0.382 2.549) 4.822 3.643 ( 6.146 1.670 4.146) 7.599 3.841 ( -2.647 -0.894 -0.586) 2.855 3.931 ( -0.985 -5.189 10.421) 11.684 4.244 ( -3.802 -1.662 1.413) 4.383 4.782 ( -16.258 -0.985 -3.638) 16.689 5.048 ( 1.946 3.059 6.990) 7.874 5.127 ( 1.938 4.018 11.339) 12.185 5.392 ( 12.795 3.872 -7.453) 15.306 5.508 ( 0.864 -0.636 7.053) 7.134 5.545 ( 6.597 -2.629 3.435) 7.888 5.885 ( 5.750 -0.935 -7.169) 9.237 6.198 ( 0.540 -3.914 -12.825) 13.420 6.714 ( 17.733 -3.954 4.901) 18.818 6.856 ( -0.032 -1.369 -17.229) 17.283 7.246 ( -0.099 1.650 -13.687) 13.787 7.587 ( -16.092 0.524 -0.444) 16.106 7.766 ( -9.627 4.950 -2.959) 11.222 8.057 ( 6.020 1.698 8.269) 10.368 8.189 ( 5.594 1.354 1.591) 5.971 8.402 ( -0.578 0.644 0.513) 1.006 8.548 ( 5.894 -6.204 0.699) 8.585 9.157 ( -0.978 -0.859 -0.752) 1.503 9.550 ( -2.033 1.276 -17.760) 17.921 9.889 ( 1.996 4.094 5.098) 6.836 9.969 ( -2.611 -2.008 -2.343) 4.042 10.570 ( -2.452 1.935 -2.163) 3.799 11.005 ( 1.423 4.435 14.281) 15.021 11.254 ( 3.315 -7.547 -0.957) 8.298 11.590 ( 5.781 -0.452 -2.830) 6.453 11.753 ( -0.605 0.419 -0.928) 1.184 11.879 ( -0.113 -6.259 -0.031) 6.260 13.020 ( -7.298 0.669 -5.696) 9.282 13.184 ( 5.241 0.978 11.134) 12.345 14.528 ( 1.029 -0.362 9.107) 9.172 15.040 ( 1.924 -1.390 -2.397) 3.373 15.500 ( 2.182 2.352 3.712) 4.907 15.677 ( -2.158 0.778 -3.511) 4.194 20.221 ( 2.262 3.568 4.815) 6.406 20.318 ( 2.429 -2.641 1.534) 3.902 20.431 ( -2.321 0.779 13.125) 13.351 20.718 ( -8.950 -2.824 -4.277) 10.314 21.718 ( 6.506 -0.359 -1.177) 6.622 22.074 ( 11.733 -1.459 -1.318) 11.897 22.500 ( 1.306 0.862 7.027) 7.200 22.787 ( -9.708 1.992 -15.586) 18.470 23.380 ( -1.130 2.179 1.848) 3.073 23.532 ( 2.061 0.613 3.071) 3.749 23.581 ( -0.202 -2.459 2.402) 3.444 23.975 ( -5.141 -1.497 -10.409) 11.705 ======================= Grid point 181 (97/128) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -12.923 3.998 13.440) 19.069 1.799 ( -8.720 -5.624 12.064) 15.912 2.048 ( -3.765 7.231 4.975) 9.551 2.296 ( 3.279 3.382 6.701) 8.191 2.408 ( -1.177 4.842 0.468) 5.005 2.517 ( 0.106 2.556 2.325) 3.457 2.727 ( -6.962 -7.529 -0.459) 10.265 2.868 ( 5.154 2.015 -5.196) 7.591 2.933 ( -3.380 1.564 -5.024) 6.254 3.269 ( -1.656 -12.008 5.564) 13.338 3.407 ( -1.659 -1.783 0.572) 2.502 3.736 ( 8.343 1.094 6.356) 10.545 3.769 ( -7.048 -0.529 1.834) 7.301 4.051 ( 0.886 -0.587 10.194) 10.249 4.212 ( -6.180 -4.814 -1.186) 7.923 4.582 ( -14.720 -3.724 -3.858) 15.666 5.025 ( -1.648 2.942 5.504) 6.455 5.155 ( 6.300 5.331 12.908) 15.321 5.340 ( 0.766 7.755 -3.845) 8.689 5.539 ( 1.383 0.019 7.316) 7.446 5.787 ( 13.750 -2.645 3.053) 14.331 5.952 ( 5.632 0.603 -8.250) 10.007 6.220 ( -0.395 -4.453 -12.810) 13.568 6.781 ( -3.056 -0.035 -16.511) 16.791 7.083 ( 12.539 -2.582 1.452) 12.884 7.146 ( 2.567 0.178 -8.413) 8.798 7.420 ( -9.166 -3.926 -0.728) 9.998 7.559 ( -6.287 5.685 -2.012) 8.712 8.082 ( -0.994 2.955 -0.221) 3.126 8.232 ( 7.347 5.541 3.207) 9.745 8.382 ( -3.134 -2.311 -1.204) 4.076 8.711 ( 5.158 -3.780 1.347) 6.535 9.175 ( -0.807 -2.441 3.037) 3.979 9.458 ( -1.828 0.970 -11.603) 11.786 9.863 ( 1.560 2.634 0.293) 3.076 9.952 ( -1.219 -0.515 -4.276) 4.476 10.513 ( -0.712 2.479 1.315) 2.895 10.992 ( -0.303 2.301 7.604) 7.950 11.458 ( 3.096 -9.431 1.936) 10.113 11.570 ( 1.986 1.612 -9.753) 10.083 11.849 ( 7.946 -2.061 5.727) 10.009 11.966 ( -0.682 -3.909 3.694) 5.421 12.872 ( -8.116 2.014 -8.354) 11.820 13.250 ( 2.279 1.329 11.368) 11.671 14.583 ( 2.475 0.027 7.892) 8.271 15.091 ( 2.481 -2.057 -2.690) 4.198 15.452 ( -2.021 5.362 2.127) 6.112 15.643 ( -0.171 0.212 -2.212) 2.229 20.196 ( 0.959 2.701 2.032) 3.513 20.311 ( -5.151 1.792 4.102) 6.824 20.550 ( 12.997 -0.580 11.392) 17.293 20.684 ( -6.551 -6.985 0.099) 9.576 21.804 ( 7.951 1.535 -2.473) 8.467 22.165 ( -3.394 3.119 -6.075) 7.626 22.480 ( -2.680 2.633 6.917) 7.872 22.615 ( -3.863 -4.055 -11.127) 12.457 23.344 ( -0.165 1.953 1.733) 2.616 23.519 ( -2.054 1.575 2.352) 3.498 23.646 ( 3.326 -1.587 0.254) 3.694 23.939 ( -2.574 -4.742 -7.122) 8.935 ======================= Grid point 187 (98/128) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -7.147 -0.000 16.816) 18.272 1.751 ( -16.129 -0.000 10.503) 19.247 2.208 ( -6.277 -0.000 4.156) 7.528 2.335 ( 1.355 0.000 5.717) 5.875 2.453 ( -9.212 -0.000 -8.409) 12.473 2.511 ( -8.182 -0.000 -2.737) 8.627 2.729 ( 1.045 0.000 14.710) 14.747 2.878 ( -2.633 -0.000 -7.919) 8.346 2.953 ( 4.838 0.000 -6.859) 8.394 3.016 ( -7.859 -0.000 14.996) 16.931 3.375 ( -2.748 -0.000 -0.418) 2.780 3.760 ( -6.330 -0.000 -1.529) 6.512 3.781 ( 7.768 0.000 7.688) 10.930 3.966 ( 5.291 0.000 13.546) 14.542 4.191 ( -3.559 -0.000 -0.352) 3.577 4.498 ( -18.077 -0.000 -8.434) 19.948 5.061 ( -4.260 -0.000 5.781) 7.181 5.225 ( 2.392 0.000 9.794) 10.082 5.468 ( -2.250 -0.000 9.469) 9.733 5.602 ( 12.015 0.000 -8.726) 14.850 5.787 ( 21.304 0.000 3.207) 21.544 5.924 ( 2.855 0.000 -5.742) 6.412 6.118 ( -0.110 -0.000 -15.700) 15.701 6.770 ( -2.627 -0.000 -16.673) 16.878 6.991 ( 22.454 0.000 6.529) 23.384 7.226 ( 0.216 0.000 -12.105) 12.107 7.327 ( -18.713 -0.000 -0.752) 18.728 7.666 ( -8.163 -0.000 -3.234) 8.780 8.142 ( 1.820 0.000 3.923) 4.324 8.239 ( 0.139 0.000 -0.181) 0.228 8.502 ( 2.377 0.000 -1.331) 2.725 8.552 ( 8.711 0.000 5.630) 10.372 9.134 ( -0.855 -0.000 1.647) 1.856 9.479 ( -1.505 -0.000 -18.651) 18.711 9.876 ( -5.510 -0.000 -3.962) 6.786 9.972 ( 2.018 0.000 5.103) 5.487 10.568 ( 0.533 0.000 -2.184) 2.248 11.147 ( -2.093 -0.000 -4.102) 4.605 11.176 ( 5.497 0.000 18.512) 19.311 11.679 ( -4.190 -0.000 -4.837) 6.399 11.755 ( 13.515 0.000 -0.242) 13.517 11.886 ( 4.270 0.000 6.572) 7.838 12.903 ( -7.269 -0.000 -8.627) 11.281 13.272 ( 1.612 0.000 12.188) 12.294 14.588 ( 3.842 0.000 6.904) 7.902 15.054 ( 2.664 0.000 -2.843) 3.896 15.559 ( 1.511 0.000 1.787) 2.340 15.627 ( -3.654 -0.000 -3.097) 4.790 20.248 ( -0.053 -0.000 -2.605) 2.605 20.350 ( -2.843 -0.000 9.441) 9.860 20.543 ( 13.194 0.000 16.038) 20.768 20.556 ( -7.584 -0.000 -4.649) 8.895 21.829 ( 8.585 0.000 -0.926) 8.635 22.216 ( 10.665 0.000 -2.338) 10.918 22.525 ( -1.871 -0.000 6.991) 7.237 22.555 ( -17.683 -0.000 -20.133) 26.796 23.397 ( 0.154 0.000 0.824) 0.838 23.532 ( -2.874 -0.000 5.089) 5.844 23.595 ( 3.317 0.000 0.284) 3.329 23.869 ( -4.068 -0.000 -5.454) 6.804 ======================= Grid point 188 (99/128) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -14.369 3.194 13.198) 19.770 1.687 ( -5.295 -4.514 18.514) 19.779 2.074 ( -6.997 3.919 3.865) 8.903 2.314 ( -10.173 -5.407 -2.035) 11.699 2.326 ( -3.450 1.824 1.757) 4.280 2.453 ( -3.430 -3.132 -4.561) 6.510 2.707 ( 0.545 5.373 4.107) 6.785 2.850 ( -3.366 -2.386 -4.001) 5.747 2.952 ( 1.301 1.052 4.846) 5.127 3.103 ( 0.445 -9.851 8.630) 13.105 3.368 ( -0.109 -0.737 1.005) 1.251 3.661 ( -7.662 0.139 -0.331) 7.671 3.900 ( 8.026 1.558 8.320) 11.665 4.074 ( -2.860 -1.560 2.828) 4.314 4.120 ( -2.339 2.605 5.900) 6.860 4.293 ( -11.574 -6.763 -3.874) 13.954 4.971 ( -8.809 1.071 1.667) 9.029 5.266 ( 1.529 1.026 10.312) 10.475 5.505 ( 4.425 2.318 10.608) 11.725 5.671 ( 7.914 7.455 -6.387) 12.610 5.923 ( 3.038 -0.019 -3.155) 4.380 6.077 ( 14.264 -0.340 -1.073) 14.309 6.115 ( 3.048 -3.186 -15.519) 16.133 6.686 ( -2.778 -0.235 -14.567) 14.831 7.029 ( -12.901 2.612 -2.131) 13.335 7.230 ( -2.490 -4.532 -7.478) 9.091 7.382 ( 22.978 -2.458 6.130) 23.908 7.545 ( -4.130 2.670 -1.759) 5.223 8.094 ( -3.208 4.103 -4.821) 7.097 8.250 ( -3.989 -4.617 -3.749) 7.161 8.463 ( 4.191 7.479 3.305) 9.188 8.736 ( 5.913 -3.689 4.108) 8.090 9.150 ( 0.134 -1.393 4.478) 4.692 9.404 ( -1.628 0.158 -13.776) 13.873 9.790 ( -5.695 -1.882 -7.602) 9.683 9.998 ( 2.319 1.563 2.743) 3.918 10.564 ( 1.439 2.148 0.997) 2.772 11.051 ( -1.595 4.755 1.496) 5.234 11.363 ( 0.726 -6.315 4.916) 8.036 11.639 ( 5.589 1.037 -0.578) 5.714 11.926 ( 3.387 -1.799 1.772) 4.225 12.018 ( 12.415 -0.893 8.970) 15.343 12.760 ( -7.474 1.399 -11.160) 13.504 13.311 ( -0.093 0.567 11.280) 11.295 14.660 ( 4.231 0.812 5.650) 7.105 15.097 ( 3.249 -1.278 -3.230) 4.756 15.493 ( -4.001 5.281 -0.184) 6.628 15.608 ( -1.890 -2.363 -2.301) 3.801 20.241 ( 0.357 1.805 -0.131) 1.844 20.289 ( -4.186 1.636 5.334) 6.975 20.505 ( -4.528 -5.049 -1.384) 6.922 20.842 ( 22.183 1.217 14.788) 26.688 21.898 ( -2.156 1.096 -7.004) 7.410 22.119 ( -9.794 9.306 -8.467) 15.944 22.456 ( 3.615 -10.010 -5.969) 12.202 22.488 ( -4.896 1.493 6.476) 8.254 23.387 ( 1.213 2.458 0.770) 2.847 23.508 ( -3.403 0.308 3.743) 5.068 23.663 ( 4.040 -3.245 -1.456) 5.383 23.830 ( -2.466 -2.021 -2.311) 3.938 ======================= Grid point 195 (100/128) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -9.555 -0.000 15.735) 18.409 1.557 ( -13.056 -0.000 15.834) 20.523 1.987 ( -9.303 -0.000 3.025) 9.782 2.171 ( -1.808 -0.000 4.559) 4.905 2.332 ( -4.844 -0.000 -7.361) 8.812 2.342 ( -0.880 -0.000 0.551) 1.039 2.712 ( -5.189 -0.000 -8.569) 10.018 2.779 ( -1.682 -0.000 -3.245) 3.655 2.974 ( -1.629 -0.000 23.942) 23.997 3.098 ( 4.616 0.000 0.849) 4.693 3.398 ( 2.627 0.000 3.562) 4.426 3.549 ( -7.717 -0.000 -3.294) 8.391 3.984 ( -4.135 -0.000 4.012) 5.761 4.038 ( -4.665 -0.000 0.531) 4.695 4.081 ( 0.221 0.000 1.468) 1.485 4.184 ( 0.911 0.000 14.824) 14.852 4.862 ( -8.110 -0.000 1.474) 8.243 5.332 ( 2.405 0.000 10.939) 11.200 5.603 ( 2.388 0.000 10.790) 11.051 5.811 ( 3.431 0.000 -8.848) 9.490 5.886 ( -1.987 -0.000 -4.535) 4.951 6.103 ( 7.462 0.000 -13.996) 15.861 6.282 ( 10.018 0.000 -5.054) 11.220 6.639 ( 2.814 0.000 -10.386) 10.760 6.853 ( -12.385 -0.000 3.035) 12.752 7.159 ( 0.057 0.000 -8.596) 8.596 7.517 ( -1.711 -0.000 -0.262) 1.731 7.716 ( 22.449 0.000 6.024) 23.243 8.073 ( -3.390 -0.000 -10.264) 10.809 8.098 ( -7.667 -0.000 -6.322) 9.938 8.564 ( 1.228 0.000 3.725) 3.922 8.811 ( 5.176 0.000 4.732) 7.013 9.163 ( 0.842 0.000 5.022) 5.092 9.336 ( -2.598 -0.000 -11.697) 11.982 9.668 ( -5.402 -0.000 -8.330) 9.928 10.040 ( 1.940 0.000 -1.915) 2.726 10.613 ( 2.166 0.000 4.721) 5.194 11.060 ( -2.172 -0.000 -1.581) 2.686 11.335 ( -1.349 -0.000 5.269) 5.439 11.765 ( 11.262 0.000 3.063) 11.671 11.957 ( 0.947 0.000 4.149) 4.256 12.243 ( 15.652 0.000 8.204) 17.672 12.632 ( -7.265 -0.000 -13.455) 15.291 13.336 ( -1.230 -0.000 8.768) 8.854 14.742 ( 3.723 0.000 4.413) 5.773 15.127 ( 3.918 0.000 -3.775) 5.441 15.489 ( -7.750 -0.000 -1.816) 7.960 15.500 ( -4.008 -0.000 -1.731) 4.366 20.237 ( -6.800 -0.000 7.053) 9.798 20.267 ( 0.916 0.000 -2.549) 2.709 20.448 ( 2.752 0.000 -0.990) 2.925 21.267 ( 29.469 0.000 12.384) 31.965 21.617 ( -28.468 -0.000 -15.402) 32.368 22.178 ( 5.584 0.000 1.109) 5.693 22.393 ( -3.598 -0.000 -0.294) 3.610 22.476 ( 2.026 0.000 3.405) 3.962 23.450 ( 3.702 0.000 -1.034) 3.844 23.459 ( -3.978 -0.000 3.088) 5.036 23.664 ( 1.347 0.000 -0.027) 1.347 23.802 ( 0.162 0.000 -0.940) 0.954 ======================= Grid point 196 (101/128) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -1.448 -0.000 9.651) 9.759 1.700 ( 2.120 0.000 8.084) 8.357 1.839 ( -4.477 -0.000 1.230) 4.643 1.966 ( -0.738 -0.000 -9.023) 9.053 2.185 ( -0.870 -0.000 -1.913) 2.102 2.259 ( 1.440 0.000 -6.328) 6.490 2.479 ( 0.255 0.000 -0.109) 0.278 2.487 ( -1.390 -0.000 -2.189) 2.593 3.187 ( 0.421 0.000 2.909) 2.939 3.261 ( -0.788 -0.000 -3.751) 3.833 3.622 ( 4.906 0.000 4.533) 6.680 3.638 ( 0.355 0.000 6.228) 6.238 4.039 ( 3.377 0.000 2.319) 4.097 4.061 ( -3.138 -0.000 3.027) 4.360 4.307 ( -0.829 -0.000 7.118) 7.166 4.441 ( 2.260 0.000 -1.769) 2.870 5.029 ( 4.332 0.000 18.017) 18.530 5.357 ( -9.503 -0.000 -14.746) 17.543 5.732 ( -5.536 -0.000 9.923) 11.363 5.842 ( -4.939 -0.000 13.068) 13.970 5.962 ( -1.216 -0.000 20.718) 20.753 5.993 ( 4.163 0.000 -10.190) 11.008 6.110 ( 9.145 0.000 -15.694) 18.164 6.489 ( 1.176 0.000 -22.250) 22.282 6.748 ( -5.808 -0.000 5.041) 7.690 6.907 ( 7.001 0.000 -11.491) 13.456 7.549 ( -0.547 -0.000 5.899) 5.925 7.689 ( -4.731 -0.000 -6.538) 8.070 7.954 ( 3.242 0.000 4.061) 5.196 8.077 ( 0.341 0.000 -6.633) 6.642 8.721 ( 6.848 0.000 1.993) 7.132 8.770 ( -7.068 -0.000 -2.712) 7.571 9.181 ( -3.552 -0.000 4.133) 5.450 9.281 ( 2.099 0.000 -3.272) 3.887 9.528 ( 5.874 0.000 6.994) 9.133 9.757 ( -5.029 -0.000 -12.982) 13.922 11.094 ( -0.478 -0.000 9.506) 9.518 11.115 ( 2.596 0.000 3.331) 4.223 11.385 ( 6.943 0.000 10.673) 12.732 11.757 ( -8.582 -0.000 -18.500) 20.393 12.105 ( 5.355 0.000 1.270) 5.503 12.135 ( -4.763 -0.000 -2.569) 5.412 12.944 ( 12.883 0.000 10.704) 16.750 13.146 ( -11.448 -0.000 -7.977) 13.953 14.918 ( -4.314 -0.000 8.582) 9.605 15.089 ( 3.312 0.000 -7.149) 7.879 15.312 ( -3.052 -0.000 4.004) 5.034 15.381 ( 0.759 0.000 -2.454) 2.568 20.193 ( -4.956 -0.000 3.677) 6.171 20.255 ( 4.574 0.000 -2.370) 5.152 20.718 ( 13.706 0.000 2.118) 13.869 20.755 ( -17.369 -0.000 -1.486) 17.432 22.131 ( 19.782 0.000 0.275) 19.784 22.137 ( -15.190 -0.000 -0.265) 15.193 22.406 ( 2.356 0.000 3.824) 4.491 22.484 ( -2.354 -0.000 -3.253) 4.015 23.410 ( -3.528 -0.000 2.685) 4.434 23.477 ( 3.298 0.000 -3.582) 4.869 23.708 ( -1.049 -0.000 2.963) 3.143 23.785 ( 2.729 0.000 -4.151) 4.968 ======================= Grid point 197 (102/128) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 0.608 -1.456 3.665) 3.990 1.813 ( 3.270 -5.446 7.802) 10.061 1.844 ( 1.408 -4.360 4.662) 6.537 1.999 ( 2.188 -5.726 -1.350) 6.277 2.194 ( 1.321 -1.568 -0.713) 2.171 2.315 ( 2.919 -5.568 -7.185) 9.547 2.477 ( 2.046 1.660 0.248) 2.646 2.513 ( 4.026 -0.600 -0.520) 4.104 3.187 ( 3.254 4.755 4.086) 7.064 3.274 ( 4.263 0.194 -4.404) 6.133 3.633 ( -2.333 -0.281 -0.896) 2.515 3.701 ( 4.421 0.271 2.900) 5.294 4.010 ( -3.699 0.345 0.834) 3.807 4.091 ( 1.381 0.547 1.650) 2.220 4.333 ( -1.694 -4.523 5.572) 7.374 4.458 ( 1.395 -0.203 -4.974) 5.170 5.135 ( -5.503 4.047 -1.079) 6.916 5.171 ( 1.770 0.842 12.218) 12.375 5.652 ( -5.911 0.923 8.300) 10.231 5.777 ( -5.107 2.823 5.614) 8.098 6.007 ( -1.597 0.897 23.070) 23.143 6.014 ( -0.403 -1.343 -6.723) 6.867 6.188 ( 6.583 1.056 -11.374) 13.184 6.435 ( 0.705 -1.108 -24.798) 24.832 6.716 ( -3.619 -3.466 0.287) 5.019 6.976 ( 8.149 0.644 -8.695) 11.935 7.558 ( -2.262 0.684 7.438) 7.805 7.617 ( -1.001 0.846 -1.502) 1.993 7.982 ( -0.275 0.963 1.708) 1.980 8.017 ( -4.732 -0.734 -7.627) 9.006 8.660 ( -5.595 1.248 -2.580) 6.286 8.809 ( 5.564 1.747 2.854) 6.492 9.184 ( 0.257 -2.524 5.720) 6.257 9.308 ( 1.216 -1.110 -4.001) 4.327 9.651 ( 6.658 -0.379 7.678) 10.170 9.659 ( -3.094 -1.129 -12.712) 13.132 11.051 ( -4.181 3.906 3.218) 6.565 11.144 ( 2.650 2.130 4.598) 5.718 11.532 ( 0.783 2.620 -0.978) 2.904 11.575 ( 1.561 0.852 -4.507) 4.846 12.037 ( -6.254 1.623 -1.333) 6.597 12.152 ( 1.479 0.428 0.672) 1.680 12.944 ( -13.841 -0.913 -9.359) 16.733 13.138 ( 9.838 -0.381 9.483) 13.670 14.864 ( -5.536 0.835 9.609) 11.121 15.087 ( 0.775 0.828 -6.622) 6.719 15.319 ( -0.451 -1.511 4.586) 4.850 15.424 ( 4.046 -1.833 -1.584) 4.716 20.156 ( -2.061 -0.303 3.587) 4.149 20.329 ( 6.870 0.447 -2.177) 7.221 20.546 ( -12.777 -0.961 1.106) 12.861 20.931 ( 14.757 0.343 4.262) 15.364 21.884 ( -15.989 2.828 -3.674) 16.648 22.284 ( 6.081 6.140 -1.754) 8.818 22.440 ( -1.528 -2.342 4.362) 5.182 22.485 ( 2.059 -4.335 -4.303) 6.446 23.367 ( -2.304 1.015 2.481) 3.535 23.497 ( 3.513 1.650 -2.342) 4.533 23.698 ( -2.858 -0.138 2.157) 3.583 23.843 ( 4.627 -2.506 -5.617) 7.697 ======================= Grid point 198 (103/128) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -1.567 -1.450 0.187) 2.143 1.934 ( -1.136 -6.295 10.821) 12.570 2.046 ( 9.189 -5.869 5.849) 12.373 2.127 ( 1.906 -4.414 4.887) 6.855 2.278 ( 4.143 -4.417 0.286) 6.063 2.425 ( 0.981 -6.040 -5.402) 8.162 2.504 ( 5.604 0.445 -1.456) 5.807 2.607 ( 7.226 -1.855 -1.083) 7.539 3.151 ( 1.641 7.439 4.114) 8.658 3.324 ( 5.488 1.063 -7.151) 9.077 3.586 ( -2.118 0.424 -2.202) 3.085 3.766 ( 3.781 0.104 4.818) 6.125 3.949 ( -4.315 0.232 -2.145) 4.825 4.062 ( -1.211 2.955 0.508) 3.234 4.420 ( -3.122 -6.117 0.597) 6.893 4.471 ( 1.827 -3.945 -6.662) 7.955 4.908 ( -4.368 7.197 -5.008) 9.796 5.324 ( 5.584 0.058 22.242) 22.933 5.586 ( -7.084 2.455 7.909) 10.897 5.685 ( -3.412 -0.692 1.543) 3.808 5.961 ( -4.163 1.139 -3.269) 5.414 6.015 ( -2.514 3.297 18.574) 19.031 6.185 ( 1.731 2.881 -5.602) 6.533 6.402 ( 1.311 -2.118 -22.282) 22.421 6.721 ( -2.672 -3.927 -9.019) 10.193 7.086 ( 11.834 0.338 -3.796) 12.433 7.476 ( -4.875 1.723 0.312) 5.180 7.649 ( -0.774 -0.589 8.131) 8.189 7.926 ( -5.733 -1.824 -4.325) 7.410 7.983 ( 1.539 -0.537 -2.106) 2.664 8.565 ( -3.749 2.312 -1.863) 4.783 8.841 ( 2.569 2.035 2.546) 4.150 9.272 ( 1.234 -1.074 4.840) 5.109 9.326 ( 1.810 -2.543 -1.510) 3.467 9.605 ( -1.451 -3.015 -13.893) 14.290 9.796 ( 7.527 -0.882 8.712) 11.548 10.902 ( -5.619 7.708 4.838) 10.695 11.144 ( 1.186 3.764 3.660) 5.382 11.329 ( -7.588 2.499 -21.110) 22.571 11.725 ( 10.185 3.594 10.278) 14.910 11.940 ( -4.315 -0.674 1.850) 4.743 12.152 ( -0.086 0.824 2.423) 2.560 12.746 ( -13.366 -2.367 -10.316) 17.049 13.282 ( 6.318 -0.383 7.309) 9.669 14.812 ( -3.831 0.998 9.396) 10.196 15.065 ( 0.239 0.353 -5.731) 5.746 15.350 ( -0.428 -1.631 3.520) 3.903 15.513 ( 4.219 -1.982 -0.806) 4.731 20.162 ( 0.362 -0.560 3.002) 3.075 20.359 ( -2.832 0.866 -1.169) 3.184 20.497 ( 3.376 -2.940 2.751) 5.255 21.091 ( 7.220 4.496 5.975) 10.395 21.647 ( -7.254 1.213 -6.498) 9.814 22.171 ( -8.267 3.222 -3.416) 9.508 22.471 ( -4.381 -5.494 5.520) 8.935 22.583 ( 8.377 1.162 -4.952) 9.800 23.340 ( -1.050 0.254 1.973) 2.249 23.517 ( 4.077 2.712 -1.524) 5.128 23.658 ( -4.069 -1.325 2.323) 4.869 23.915 ( 3.580 -0.925 -6.298) 7.303 ======================= Grid point 199 (104/128) ======================= q-point: (-0.57 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -2.310 -0.809 2.669) 3.622 2.026 ( -1.933 -4.771 10.396) 11.601 2.195 ( 1.044 0.081 8.326) 8.391 2.247 ( 7.418 -2.674 1.651) 8.056 2.378 ( 1.200 -1.177 0.685) 1.815 2.466 ( -0.212 -2.582 -0.057) 2.591 2.603 ( 3.622 -3.346 -8.412) 9.751 2.753 ( 7.829 -2.653 1.352) 8.376 3.032 ( -3.089 7.568 2.809) 8.644 3.318 ( 0.461 1.951 -9.701) 9.906 3.576 ( 1.292 0.843 2.760) 3.162 3.837 ( 3.593 -0.902 2.530) 4.486 3.866 ( -4.551 1.965 0.734) 5.011 4.015 ( -0.266 0.533 -2.148) 2.229 4.379 ( -5.828 0.886 -0.768) 5.944 4.518 ( -2.682 -2.518 -6.554) 7.516 4.925 ( 13.051 -2.793 3.732) 13.858 5.276 ( -15.309 4.416 3.388) 16.289 5.531 ( 2.306 2.563 18.182) 18.506 5.730 ( 1.874 -5.257 -0.767) 5.634 5.885 ( -3.928 0.498 1.773) 4.339 5.968 ( -0.660 4.296 9.742) 10.668 6.132 ( -1.102 3.189 -2.332) 4.102 6.397 ( 1.902 -1.674 -15.927) 16.127 6.702 ( -2.639 -3.766 -13.160) 13.940 7.267 ( 14.388 0.242 -0.123) 14.391 7.413 ( -3.871 -1.321 0.089) 4.091 7.581 ( -5.602 4.192 1.457) 7.147 7.879 ( -4.408 -3.034 -3.799) 6.563 8.099 ( 7.598 -4.995 4.095) 9.973 8.449 ( -5.349 4.200 -4.096) 7.938 8.860 ( 1.927 0.603 2.875) 3.513 9.240 ( -2.775 0.864 -1.809) 3.423 9.412 ( 3.199 0.440 5.297) 6.203 9.622 ( 0.330 -4.319 -11.656) 12.435 9.932 ( 5.551 -1.498 5.837) 8.193 10.736 ( -3.919 6.569 8.283) 11.275 11.074 ( -2.384 4.414 -2.192) 5.475 11.182 ( -3.146 -1.181 -14.388) 14.775 11.763 ( 2.487 3.247 2.100) 4.597 11.978 ( 2.236 -1.492 4.785) 5.488 12.171 ( 4.455 1.494 8.378) 9.606 12.579 ( -11.459 -2.849 -11.544) 16.513 13.370 ( 2.720 -0.526 4.651) 5.414 14.788 ( -1.563 0.546 8.290) 8.454 15.051 ( 0.757 0.214 -5.197) 5.257 15.373 ( -1.039 -1.680 2.435) 3.136 15.579 ( 2.253 -0.874 -1.125) 2.666 20.190 ( 1.071 -0.453 1.637) 2.008 20.303 ( -3.587 -0.679 0.691) 3.715 20.662 ( 10.301 -3.753 3.570) 11.529 20.978 ( -7.454 8.465 1.790) 11.420 21.678 ( 9.153 -2.056 -2.489) 9.706 21.972 ( -13.467 0.819 -4.095) 14.100 22.506 ( -6.480 -6.753 6.233) 11.245 22.638 ( 8.344 5.265 -5.358) 11.227 23.339 ( -0.234 -0.534 1.386) 1.503 23.503 ( 0.563 2.448 -0.862) 2.656 23.664 ( -0.544 -2.462 2.086) 3.272 23.925 ( 1.389 1.744 -5.313) 5.762 ======================= Grid point 200 (105/128) ======================= q-point: (-0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -2.525 1.317 5.387) 6.094 2.078 ( -1.990 -2.245 5.931) 6.646 2.205 ( -0.549 3.494 10.804) 11.368 2.311 ( 0.450 2.644 1.290) 2.976 2.338 ( -1.345 3.805 -3.901) 5.613 2.515 ( -2.775 -5.533 -1.621) 6.399 2.565 ( -2.908 5.968 -8.752) 10.985 2.820 ( -2.526 2.896 -3.984) 5.535 2.977 ( 3.776 -2.096 8.537) 9.567 3.269 ( -1.898 -1.525 -6.622) 7.055 3.583 ( -0.995 0.457 4.541) 4.671 3.742 ( -2.647 6.991 2.232) 7.801 3.924 ( 1.533 -3.026 3.249) 4.697 4.029 ( 0.629 -2.571 -4.087) 4.869 4.292 ( -1.161 3.621 5.890) 7.011 4.479 ( 0.787 4.145 -1.481) 4.472 4.989 ( -15.434 1.330 -1.178) 15.536 5.235 ( 12.565 -9.048 4.537) 16.135 5.583 ( 2.088 1.243 14.860) 15.057 5.813 ( -1.101 -0.202 -5.986) 6.089 5.864 ( 1.226 -3.713 4.845) 6.226 5.964 ( 0.431 0.259 4.916) 4.942 6.059 ( 0.170 3.496 -0.916) 3.618 6.411 ( 3.320 -0.919 -9.718) 10.310 6.694 ( -1.503 -4.532 -12.938) 13.791 7.303 ( -8.501 3.867 -3.657) 10.029 7.420 ( 3.367 0.087 -0.937) 3.496 7.569 ( 12.552 -0.119 2.401) 12.780 7.863 ( -2.500 -2.387 -2.492) 4.261 8.225 ( -5.501 2.815 -5.498) 8.271 8.352 ( 4.631 -4.160 3.194) 6.997 8.875 ( 0.244 0.884 2.037) 2.234 9.209 ( -0.440 -0.764 -0.017) 0.882 9.421 ( 0.977 3.884 5.523) 6.823 9.613 ( -2.818 -0.199 -10.931) 11.290 9.997 ( 0.157 -0.187 0.078) 0.256 10.701 ( 2.254 0.343 12.437) 12.644 10.998 ( -0.761 0.582 -2.750) 2.912 11.169 ( -1.196 -4.976 -7.540) 9.113 11.772 ( 3.086 0.983 1.110) 3.423 12.007 ( -0.441 -0.104 1.727) 1.785 12.289 ( 9.772 1.735 9.408) 13.675 12.443 ( -7.569 -2.081 -9.996) 12.710 13.403 ( -0.757 -0.795 1.722) 2.042 14.803 ( 0.347 -0.476 7.241) 7.265 15.047 ( 1.719 0.645 -5.212) 5.526 15.383 ( -1.981 -1.703 1.446) 2.986 15.590 ( -0.379 0.659 -2.102) 2.235 20.205 ( -0.620 -0.729 0.180) 0.973 20.293 ( 0.144 -0.743 1.496) 1.676 20.709 ( -7.815 6.370 -0.773) 10.112 20.952 ( 13.706 -5.161 4.602) 15.351 21.691 ( -14.118 0.549 -4.292) 14.766 21.918 ( 9.691 -2.813 1.255) 10.169 22.515 ( -8.157 -5.546 5.857) 11.471 22.632 ( 7.035 7.754 -5.203) 11.692 23.352 ( 0.536 -0.530 0.285) 0.806 23.483 ( -2.312 -1.707 0.854) 2.998 23.699 ( 2.509 0.550 -0.680) 2.657 23.884 ( -0.604 2.563 -1.823) 3.202 ======================= Grid point 201 (106/128) ======================= q-point: (-0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( -1.920 2.200 7.619) 8.160 2.056 ( -4.386 3.108 4.104) 6.763 2.114 ( -2.979 9.774 5.307) 11.514 2.147 ( -9.736 4.192 -3.952) 11.313 2.290 ( -0.923 2.747 2.175) 3.624 2.392 ( 0.038 7.340 -6.767) 9.984 2.527 ( -4.335 -4.047 -5.163) 7.863 2.678 ( -7.180 2.849 -6.342) 9.994 3.103 ( 1.276 -3.707 8.799) 9.633 3.278 ( -2.238 -5.321 -4.560) 7.356 3.552 ( -3.478 0.414 0.633) 3.559 3.646 ( 1.843 7.305 13.198) 15.197 3.960 ( -0.825 -1.222 0.665) 1.617 4.086 ( 1.237 -3.232 -1.708) 3.859 4.261 ( 2.051 4.675 9.023) 10.367 4.429 ( 2.553 5.119 2.211) 6.133 4.865 ( -5.044 -3.811 1.558) 6.511 5.486 ( 2.633 -6.739 1.292) 7.350 5.651 ( 2.295 -1.851 13.261) 13.585 5.766 ( -4.010 -1.708 -6.657) 7.957 5.931 ( 0.638 2.027 6.556) 6.892 5.956 ( 1.778 0.540 4.640) 4.998 6.074 ( 3.844 -0.356 -7.122) 8.101 6.468 ( 6.248 -0.780 -8.280) 10.402 6.720 ( 0.361 -4.951 -9.681) 10.880 7.085 ( -7.910 6.271 -5.293) 11.398 7.466 ( 1.571 -2.216 -0.022) 2.717 7.787 ( 13.610 -0.902 -1.453) 13.717 7.866 ( 0.576 -0.895 -0.413) 1.141 8.027 ( -8.486 3.471 -6.780) 11.403 8.516 ( 4.586 -4.263 2.745) 6.837 8.866 ( -0.872 -0.367 0.575) 1.107 9.230 ( -0.008 -0.716 2.176) 2.290 9.376 ( -0.120 5.170 6.307) 8.156 9.504 ( -3.912 1.871 -10.532) 11.390 9.958 ( -3.458 0.449 -5.924) 6.874 10.826 ( 5.535 -2.586 15.650) 16.800 11.015 ( 1.310 -1.450 2.889) 3.488 11.231 ( -0.636 -6.824 -5.351) 8.695 11.832 ( 4.357 -1.549 0.227) 4.629 12.000 ( -0.434 0.298 -0.472) 0.707 12.285 ( -6.256 -1.414 -11.416) 13.094 12.511 ( 13.350 1.796 11.145) 17.483 13.381 ( -4.103 -0.771 -1.564) 4.458 14.852 ( 1.324 -1.584 6.868) 7.171 15.048 ( 2.618 1.065 -5.800) 6.452 15.376 ( -2.896 -1.563 0.886) 3.408 15.535 ( -3.068 2.360 -2.839) 4.800 20.204 ( -0.763 -0.857 -0.784) 1.390 20.317 ( -0.886 -0.913 2.494) 2.800 20.538 ( -1.251 5.325 -0.975) 5.556 21.210 ( -1.377 -6.996 -4.262) 8.308 21.512 ( 1.131 0.492 5.066) 5.214 22.115 ( 9.256 -3.591 1.919) 10.112 22.470 ( -8.283 -1.787 4.741) 9.710 22.587 ( 4.202 6.756 -4.184) 8.989 23.374 ( 1.414 -0.959 -1.060) 2.011 23.481 ( -4.449 -3.062 1.814) 5.698 23.715 ( 4.557 2.708 -3.059) 6.120 23.831 ( -2.095 2.016 1.773) 3.405 ======================= Grid point 202 (107/128) ======================= q-point: (-0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.766 0.401 9.190) 9.231 1.818 ( -8.056 10.702 8.475) 15.851 1.951 ( -7.190 3.731 0.854) 8.145 2.029 ( -1.230 2.116 -9.867) 10.166 2.230 ( -1.516 2.992 0.570) 3.402 2.301 ( 0.424 3.879 -6.831) 7.867 2.499 ( -3.111 -1.290 -2.534) 4.215 2.542 ( -5.477 0.335 -4.598) 7.159 3.163 ( -2.393 -3.452 5.361) 6.811 3.294 ( -3.466 -2.950 -5.176) 6.893 3.542 ( 2.868 0.230 5.079) 5.837 3.626 ( 1.725 4.459 12.575) 13.453 3.985 ( 1.155 -1.616 1.637) 2.574 4.097 ( -1.010 1.341 2.339) 2.879 4.284 ( 2.424 1.207 8.058) 8.501 4.417 ( 2.501 1.749 0.295) 3.066 4.922 ( 1.775 -2.809 10.172) 10.701 5.497 ( -6.199 -1.975 -10.752) 12.567 5.728 ( -1.955 -1.290 8.376) 8.698 5.792 ( -1.259 -7.375 9.493) 12.087 5.929 ( -1.187 0.459 13.474) 13.534 5.992 ( 5.340 3.592 -3.835) 7.492 6.078 ( 3.681 2.213 -11.062) 11.867 6.515 ( 3.954 0.074 -15.719) 16.209 6.786 ( 0.348 -3.508 -1.506) 3.833 6.903 ( -1.947 4.559 -8.125) 9.518 7.522 ( 0.308 -2.439 2.773) 3.706 7.799 ( -5.588 1.303 -10.594) 12.048 7.898 ( 2.469 0.132 2.382) 3.433 8.019 ( 7.873 -1.111 -0.875) 7.999 8.623 ( 4.680 -1.642 1.147) 5.090 8.851 ( -4.206 -1.272 -0.965) 4.499 9.222 ( -2.479 0.381 2.918) 3.848 9.303 ( -0.956 3.550 -0.747) 3.752 9.458 ( 2.475 0.669 0.331) 2.585 9.867 ( -4.825 0.456 -10.156) 11.253 10.994 ( 5.246 -2.624 15.503) 16.575 11.068 ( 1.381 -0.783 5.690) 5.907 11.299 ( 0.991 -3.440 -0.733) 3.655 11.881 ( -4.661 -3.483 -10.126) 11.679 12.013 ( 6.128 1.000 0.821) 6.263 12.199 ( -4.513 -1.102 -6.536) 8.019 12.723 ( 14.591 1.009 11.165) 18.401 13.298 ( -7.631 -0.309 -5.108) 9.188 14.913 ( -0.155 -1.630 7.778) 7.949 15.058 ( 3.608 0.570 -7.026) 7.919 15.354 ( -3.804 -1.159 1.699) 4.324 15.432 ( -3.399 3.173 -2.800) 5.428 20.213 ( 0.955 -0.774 -1.262) 1.762 20.271 ( -5.886 0.472 2.702) 6.494 20.555 ( 9.835 1.685 0.270) 9.982 21.026 ( -19.873 -0.921 -4.957) 20.502 21.793 ( 21.488 -3.812 4.914) 22.369 22.254 ( -2.297 -4.856 1.087) 5.481 22.383 ( -2.540 2.425 4.363) 5.600 22.533 ( 1.160 4.023 -3.326) 5.347 23.418 ( 1.949 -2.021 -1.660) 3.262 23.455 ( -3.784 -1.185 1.118) 4.120 23.728 ( 2.015 2.323 0.379) 3.098 23.781 ( -0.549 1.414 -0.664) 1.656 ======================= Grid point 204 (108/128) ======================= q-point: ( 0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -0.156 -0.000 5.992) 5.995 1.799 ( 6.348 0.000 1.635) 6.555 1.907 ( 9.722 0.000 4.192) 10.587 2.022 ( 7.316 0.000 1.328) 7.435 2.224 ( 4.209 0.000 1.269) 4.396 2.287 ( 1.434 0.000 -4.962) 5.165 2.545 ( 5.053 0.000 1.574) 5.292 2.586 ( 7.099 0.000 0.275) 7.105 3.328 ( 5.276 0.000 -3.612) 6.394 3.329 ( 7.469 0.000 3.757) 8.361 3.565 ( -4.986 -0.000 -3.702) 6.210 3.770 ( 2.919 0.000 3.566) 4.608 3.928 ( -5.523 -0.000 -5.845) 8.041 4.143 ( 2.482 0.000 2.057) 3.224 4.258 ( -5.030 -0.000 5.804) 7.680 4.443 ( -0.282 -0.000 -10.363) 10.366 5.049 ( -3.795 -0.000 -7.836) 8.707 5.326 ( 5.958 0.000 22.939) 23.700 5.562 ( -8.688 -0.000 8.925) 12.456 5.723 ( -8.841 -0.000 11.238) 14.298 5.957 ( -2.636 -0.000 -11.166) 11.473 6.071 ( -1.914 -0.000 25.306) 25.378 6.244 ( 3.696 0.000 -15.914) 16.337 6.374 ( 3.702 0.000 -26.008) 26.270 6.628 ( -5.003 -0.000 1.366) 5.186 7.079 ( 10.122 0.000 -7.477) 12.585 7.561 ( -5.055 -0.000 12.006) 13.027 7.605 ( 0.093 0.000 -2.582) 2.584 7.892 ( -6.446 -0.000 -4.405) 7.808 7.988 ( -0.215 -0.000 -1.600) 1.615 8.604 ( -2.364 -0.000 -2.697) 3.587 8.866 ( -0.879 -0.000 2.012) 2.196 9.232 ( 6.910 0.000 6.933) 9.789 9.297 ( -0.744 -0.000 -3.270) 3.354 9.564 ( -1.853 -0.000 -14.009) 14.131 9.787 ( 7.819 0.000 8.977) 11.905 11.034 ( -3.832 -0.000 1.748) 4.212 11.199 ( 1.205 0.000 0.596) 1.345 11.404 ( -6.870 -0.000 -17.843) 19.120 11.745 ( 8.145 0.000 15.882) 17.849 11.947 ( -7.096 -0.000 -3.475) 7.901 12.154 ( -1.223 -0.000 2.882) 3.131 12.703 ( -14.468 -0.000 -9.923) 17.544 13.279 ( 6.676 0.000 8.140) 10.527 14.827 ( -4.489 -0.000 9.929) 10.896 15.061 ( -1.492 -0.000 -7.066) 7.222 15.334 ( 1.053 0.000 5.748) 5.843 15.478 ( 5.543 0.000 -0.844) 5.607 20.155 ( 0.627 0.000 3.644) 3.697 20.383 ( -9.607 -0.000 2.085) 9.831 20.442 ( 9.215 0.000 -2.429) 9.530 21.156 ( 12.151 0.000 7.438) 14.246 21.676 ( -12.193 -0.000 -6.976) 14.048 22.281 ( -10.079 -0.000 -3.669) 10.726 22.323 ( -6.998 -0.000 2.142) 7.318 22.593 ( 11.408 0.000 -1.640) 11.525 23.357 ( -1.444 -0.000 2.691) 3.054 23.529 ( 1.085 0.000 -0.901) 1.410 23.695 ( -1.066 -0.000 3.137) 3.314 23.867 ( 5.620 0.000 -9.391) 10.944 ======================= Grid point 205 (109/128) ======================= q-point: ( 0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 3.500 3.908 3.116) 6.102 1.916 ( 4.675 -1.864 5.592) 7.523 2.128 ( 10.171 -4.094 6.935) 12.973 2.157 ( 7.839 -2.523 0.619) 8.258 2.287 ( 2.027 -1.486 -1.677) 3.022 2.355 ( 5.534 -5.184 -2.352) 7.939 2.609 ( 4.900 1.971 2.196) 5.719 2.710 ( 9.730 -0.311 1.113) 9.799 3.277 ( -3.011 7.275 -3.685) 8.693 3.408 ( 4.043 2.981 -3.119) 5.913 3.548 ( 0.607 -2.558 1.539) 3.046 3.810 ( 0.814 -0.316 8.274) 8.320 3.836 ( -5.053 -1.477 -11.177) 12.355 4.124 ( 0.083 4.293 2.057) 4.761 4.275 ( -2.999 -6.021 2.076) 7.039 4.406 ( -0.889 -2.652 -13.613) 13.898 5.006 ( 5.868 4.609 -0.420) 7.473 5.392 ( -8.301 2.407 12.504) 15.201 5.525 ( -1.656 -4.729 6.754) 8.409 5.643 ( -4.476 2.025 19.122) 19.743 5.867 ( -6.294 -1.088 -9.374) 11.343 6.083 ( -2.755 3.103 17.038) 17.536 6.208 ( -1.519 -0.051 -10.358) 10.469 6.360 ( 4.681 1.055 -19.567) 20.147 6.581 ( -5.893 -3.879 -4.397) 8.313 7.227 ( 11.956 -1.339 -4.783) 12.947 7.454 ( -6.460 2.576 3.586) 7.825 7.615 ( -2.938 -1.490 -1.987) 3.847 7.841 ( -0.592 0.019 2.503) 2.572 8.013 ( 4.209 -1.182 1.306) 4.563 8.559 ( -1.489 2.965 -2.415) 4.104 8.828 ( -4.829 -1.928 -0.106) 5.201 9.258 ( -3.045 0.261 -2.576) 3.997 9.390 ( 9.499 -1.384 7.098) 11.938 9.526 ( 0.589 -1.211 -12.447) 12.520 9.913 ( 6.394 -0.083 7.080) 9.540 10.946 ( -3.824 5.307 2.661) 7.062 11.161 ( -4.538 -0.854 -15.710) 16.374 11.267 ( -1.281 6.987 0.468) 7.119 11.827 ( -5.062 1.178 -3.980) 6.546 11.857 ( -3.701 -5.164 7.525) 9.848 12.195 ( 5.998 0.243 9.013) 10.829 12.502 ( -11.541 -1.736 -9.653) 15.146 13.368 ( 3.112 0.161 5.980) 6.743 14.802 ( -2.910 0.266 9.205) 9.658 15.025 ( -1.466 -1.085 -6.875) 7.112 15.365 ( 0.975 0.385 5.748) 5.843 15.555 ( 4.461 -0.576 -0.842) 4.577 20.184 ( 1.261 -0.018 2.451) 2.757 20.290 ( -4.465 -0.256 3.783) 5.858 20.578 ( 9.411 -1.554 -2.280) 9.808 21.179 ( -8.146 4.107 1.442) 9.236 21.638 ( 9.820 -0.662 -1.876) 10.019 22.060 ( -12.497 4.762 -1.905) 13.508 22.280 ( -9.722 -7.485 3.015) 12.635 22.720 ( 8.513 0.935 -3.568) 9.277 23.345 ( -0.321 0.708 2.145) 2.282 23.559 ( 0.112 -3.013 1.082) 3.203 23.649 ( -0.646 4.853 1.959) 5.273 23.928 ( 4.426 -1.255 -10.009) 11.016 ======================= Grid point 206 (110/128) ======================= q-point: ( 0.43 0.14 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 4.434 4.351 6.167) 8.754 2.018 ( 3.634 -1.216 7.475) 8.400 2.214 ( 1.246 -0.063 -0.960) 1.575 2.334 ( -0.094 -3.515 -1.670) 3.892 2.344 ( 8.485 -0.824 3.472) 9.204 2.504 ( 5.770 -0.303 1.908) 6.085 2.642 ( 3.940 1.378 -1.501) 4.435 2.854 ( 8.867 0.203 1.189) 8.949 3.079 ( -6.532 6.893 -3.563) 10.143 3.328 ( -3.299 4.859 -6.823) 9.002 3.580 ( -2.260 -0.128 4.077) 4.663 3.784 ( -1.992 -3.326 -8.343) 9.200 3.856 ( 0.332 -0.527 8.266) 8.289 4.067 ( 0.371 3.811 -2.396) 4.517 4.308 ( -0.482 -2.605 0.280) 2.664 4.455 ( 3.468 -5.091 -6.960) 9.294 5.105 ( 11.756 0.917 6.623) 13.524 5.138 ( -17.123 7.302 4.756) 19.213 5.628 ( -2.426 -1.350 8.747) 9.177 5.648 ( 2.496 -4.913 7.362) 9.196 5.784 ( -6.992 -2.424 -2.016) 7.670 6.029 ( -2.264 2.926 6.616) 7.580 6.147 ( -2.958 1.125 -3.183) 4.488 6.368 ( 2.666 -0.812 -8.079) 8.546 6.552 ( -3.797 -4.766 -9.166) 11.007 7.303 ( -5.442 -1.039 -3.261) 6.428 7.480 ( 12.363 -2.498 -1.897) 12.755 7.549 ( -1.760 2.884 -4.438) 5.578 7.860 ( 2.589 1.718 5.173) 6.034 8.156 ( 7.767 -4.287 6.032) 10.728 8.423 ( -6.730 5.959 -5.103) 10.337 8.822 ( -3.337 -4.399 -0.208) 5.526 9.199 ( -3.360 0.030 -1.353) 3.622 9.517 ( 3.898 2.152 0.266) 4.461 9.552 ( 4.130 -2.996 -4.870) 7.054 10.000 ( 3.169 0.241 3.136) 4.465 10.819 ( -1.592 6.491 4.951) 8.317 11.048 ( -3.316 0.191 -15.664) 16.013 11.148 ( -3.154 5.957 4.538) 8.126 11.758 ( -2.699 -1.454 -3.543) 4.685 11.892 ( -6.509 -7.630 2.974) 10.461 12.310 ( -0.031 -0.859 -2.397) 2.546 12.401 ( 3.108 -0.058 4.372) 5.364 13.396 ( -0.521 0.266 3.234) 3.287 14.795 ( -1.549 -0.158 7.840) 7.994 15.014 ( -0.787 -2.133 -6.241) 6.642 15.382 ( 0.641 1.041 5.262) 5.402 15.602 ( 2.222 0.227 -1.749) 2.837 20.184 ( -1.964 -0.606 1.300) 2.433 20.294 ( 2.426 0.602 4.296) 4.970 20.724 ( 3.719 -3.770 -1.210) 5.432 20.974 ( -4.794 4.894 -4.123) 7.996 21.747 ( -6.747 2.820 -2.000) 7.581 21.888 ( 6.709 1.104 4.290) 8.039 22.282 ( -9.546 -9.278 4.992) 14.217 22.782 ( 5.912 2.484 -5.264) 8.296 23.345 ( 0.735 0.295 1.519) 1.713 23.548 ( -3.100 3.383 1.519) 4.833 23.639 ( 2.770 -2.075 1.608) 3.816 23.947 ( 1.914 0.959 -8.803) 9.060 ======================= Grid point 207 (111/128) ======================= q-point: (-0.43 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 4.376 6.208 8.964) 11.749 2.089 ( 2.415 0.487 5.016) 5.588 2.202 ( -1.909 0.833 -0.242) 2.097 2.320 ( -4.089 0.274 1.691) 4.434 2.429 ( 3.619 3.056 -3.301) 5.774 2.494 ( 0.782 6.864 6.346) 9.381 2.638 ( 1.954 5.071 -7.337) 9.130 2.818 ( -6.105 6.701 -8.048) 12.122 3.019 ( 3.716 -1.351 7.047) 8.080 3.207 ( -3.105 1.060 -5.867) 6.722 3.530 ( -4.767 -0.663 1.941) 5.190 3.790 ( -1.618 0.453 0.987) 1.948 3.896 ( 0.350 -3.381 3.635) 4.977 4.019 ( 0.299 0.788 -6.033) 6.091 4.360 ( 4.141 0.837 3.798) 5.680 4.577 ( 8.256 0.725 3.285) 8.915 4.811 ( -14.426 4.252 0.904) 15.067 5.293 ( 5.911 -4.210 9.750) 12.154 5.639 ( -0.764 -0.365 8.536) 8.578 5.689 ( -8.845 -2.612 -8.838) 12.774 5.823 ( 4.417 -8.139 2.971) 9.725 5.998 ( -0.465 1.494 8.252) 8.399 6.091 ( -1.723 0.578 -1.844) 2.589 6.415 ( 3.618 -2.173 -3.204) 5.299 6.567 ( -0.401 -5.018 -9.524) 10.772 7.194 ( -7.660 0.165 -10.164) 12.728 7.496 ( 3.015 3.847 -1.360) 5.073 7.702 ( 12.021 -3.015 -1.584) 12.494 7.889 ( 3.534 2.007 5.367) 6.732 8.178 ( -9.017 6.720 -7.127) 13.314 8.368 ( 6.345 -5.561 5.723) 10.195 8.823 ( -4.887 -3.180 -1.106) 5.935 9.185 ( -0.437 -1.867 2.187) 2.908 9.515 ( 1.373 1.681 -3.772) 4.352 9.577 ( 0.626 3.909 -1.118) 4.114 9.993 ( -1.782 1.916 -3.360) 4.259 10.792 ( 3.649 1.215 7.870) 8.760 11.005 ( 1.429 0.774 -0.347) 1.661 11.062 ( -4.051 -2.415 -2.565) 5.368 11.759 ( -1.300 -3.296 -5.373) 6.436 11.926 ( -3.974 -5.910 2.815) 7.658 12.229 ( -6.927 -2.361 -10.051) 12.433 12.569 ( 13.675 1.927 12.022) 18.310 13.368 ( -3.873 0.017 0.019) 3.873 14.812 ( -0.557 -1.166 7.194) 7.310 15.023 ( -0.229 -2.418 -6.068) 6.536 15.384 ( 0.388 1.680 4.688) 4.995 15.595 ( -0.157 1.696 -3.041) 3.485 20.176 ( -1.284 -0.884 1.798) 2.380 20.326 ( 1.962 1.455 2.132) 3.242 20.669 ( -6.016 2.176 -1.771) 6.638 21.015 ( 4.704 -4.440 -4.652) 7.968 21.560 ( -5.533 2.906 2.833) 6.862 22.038 ( 6.467 -1.972 2.361) 7.161 22.314 ( -5.562 -7.007 7.422) 11.624 22.778 ( 3.168 4.403 -6.707) 8.626 23.363 ( 1.418 -0.028 0.777) 1.617 23.465 ( -2.412 2.624 1.059) 3.718 23.717 ( 2.234 -2.523 1.625) 3.741 23.908 ( 0.110 2.727 -6.398) 6.956 ======================= Grid point 208 (112/128) ======================= q-point: (-0.29 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( 3.703 7.596 9.493) 12.709 2.063 ( -4.447 3.615 -3.530) 6.731 2.123 ( -1.173 6.095 4.275) 7.537 2.257 ( -5.170 13.393 7.613) 16.250 2.290 ( -2.597 -0.321 5.457) 6.052 2.464 ( 1.289 1.565 -7.512) 7.781 2.534 ( 3.428 9.508 -7.682) 12.695 2.599 ( -8.304 3.906 -7.461) 11.827 3.082 ( -2.284 -1.364 7.719) 8.165 3.193 ( 1.789 -2.283 -6.241) 6.882 3.520 ( 0.012 -2.034 3.128) 3.731 3.739 ( -3.115 1.565 2.706) 4.413 3.942 ( -0.633 -1.347 3.159) 3.492 4.053 ( 2.681 -3.582 -3.790) 5.864 4.394 ( 4.267 4.743 5.668) 8.534 4.541 ( -1.881 6.919 3.926) 8.174 4.797 ( 4.804 -4.770 7.958) 10.448 5.412 ( -3.492 -3.869 0.407) 5.228 5.562 ( -8.448 -4.878 -0.498) 9.768 5.686 ( 0.137 -2.870 1.122) 3.084 5.960 ( -1.901 -0.703 15.270) 15.404 6.030 ( 3.442 -1.408 2.982) 4.766 6.086 ( 2.205 -1.026 -4.875) 5.448 6.496 ( 5.326 -1.780 -14.173) 15.245 6.644 ( 3.413 -5.807 -1.213) 6.844 7.036 ( -5.816 3.074 -12.535) 14.157 7.503 ( 4.084 2.482 1.434) 4.990 7.819 ( -0.759 0.508 -5.169) 5.249 7.943 ( -1.193 2.371 0.800) 2.772 7.981 ( 3.149 -0.047 -1.326) 3.417 8.537 ( 5.263 -4.021 4.030) 7.753 8.786 ( -5.714 -2.982 -1.898) 6.719 9.224 ( -0.001 -0.981 4.529) 4.634 9.460 ( -2.727 3.949 -9.648) 10.776 9.509 ( 3.181 5.050 6.848) 9.084 9.900 ( -3.806 2.051 -9.319) 10.273 10.895 ( 3.774 -3.241 7.956) 9.383 11.021 ( -1.997 -1.678 10.105) 10.436 11.136 ( 5.510 -6.071 -2.685) 8.628 11.757 ( -4.704 -4.560 -11.293) 13.056 11.981 ( 0.823 -3.616 3.132) 4.854 12.153 ( -4.689 -2.012 -6.743) 8.456 12.770 ( 13.857 1.865 10.927) 17.745 13.288 ( -7.035 -0.173 -3.569) 7.890 14.852 ( -0.821 -2.172 8.012) 8.342 15.038 ( 0.352 -2.102 -6.739) 7.068 15.374 ( 0.369 2.216 4.422) 4.960 15.532 ( -1.872 3.302 -3.960) 5.485 20.186 ( -0.022 -0.800 2.282) 2.418 20.299 ( -2.645 1.573 -0.402) 3.104 20.622 ( 4.632 1.913 0.582) 5.045 20.982 ( -13.265 -1.708 -4.942) 14.259 21.659 ( 15.038 -3.831 5.661) 16.518 22.101 ( -6.338 -5.851 -0.476) 8.638 22.381 ( 2.450 -1.365 8.416) 8.871 22.704 ( 0.150 5.606 -7.242) 9.160 23.386 ( 1.286 -0.189 0.015) 1.299 23.414 ( -2.013 0.312 0.664) 2.143 23.776 ( 1.272 -1.290 1.041) 2.090 23.845 ( 0.151 3.490 -3.907) 5.241 ======================= Grid point 209 (113/128) ======================= q-point: (-0.14 0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 2.596 6.362 9.241) 11.516 1.885 ( -3.832 7.606 -0.985) 8.574 1.973 ( -5.497 9.621 8.432) 13.924 2.082 ( 1.202 7.399 -0.471) 7.511 2.246 ( -2.787 3.508 2.428) 5.096 2.404 ( 3.954 7.887 -13.181) 15.861 2.449 ( -2.054 -1.188 -0.168) 2.379 2.497 ( 0.731 1.488 -2.709) 3.176 3.097 ( -1.561 -3.435 5.664) 6.806 3.234 ( 2.333 -1.486 -6.246) 6.831 3.594 ( 3.637 -1.436 5.940) 7.112 3.690 ( -1.741 0.724 -0.514) 1.954 3.981 ( -0.018 -2.621 6.643) 7.142 4.100 ( 0.321 -0.327 -3.201) 3.234 4.384 ( 2.560 5.345 5.930) 8.384 4.466 ( 0.045 2.393 -0.246) 2.406 4.978 ( 6.583 -2.670 18.040) 19.388 5.294 ( -12.423 -3.397 -13.033) 18.323 5.619 ( -1.854 -6.025 7.511) 9.806 5.748 ( -0.047 -4.104 1.386) 4.332 5.964 ( -2.616 0.881 20.771) 20.954 6.061 ( -1.086 0.300 -1.140) 1.603 6.131 ( 4.761 0.144 -6.010) 7.669 6.501 ( 2.228 0.437 -21.605) 21.724 6.779 ( 2.955 -0.701 1.547) 3.408 6.907 ( 0.727 0.818 -12.218) 12.267 7.536 ( 2.590 0.979 5.554) 6.206 7.685 ( -7.464 0.416 -8.117) 11.035 7.946 ( 1.756 -0.244 4.909) 5.219 8.059 ( 1.917 -1.183 -5.286) 5.746 8.669 ( 4.690 -3.058 3.425) 6.564 8.738 ( -5.410 -2.268 -2.550) 6.396 9.219 ( -1.314 1.963 4.778) 5.330 9.348 ( -0.174 4.049 -5.766) 7.048 9.546 ( 5.534 1.589 7.794) 9.690 9.781 ( -4.357 1.636 -12.908) 13.721 11.010 ( -1.407 -6.033 6.345) 8.868 11.062 ( 0.683 -2.026 6.628) 6.965 11.332 ( 9.619 -3.890 8.410) 13.356 11.685 ( -7.936 -3.958 -17.671) 19.772 12.060 ( -0.383 -3.395 2.713) 4.362 12.117 ( -0.521 -0.858 -3.358) 3.505 12.964 ( 12.403 1.222 10.148) 16.072 13.150 ( -10.474 0.260 -7.077) 12.643 14.883 ( -3.698 -2.086 9.328) 10.249 15.061 ( 1.891 -1.839 -7.063) 7.539 15.353 ( -0.437 2.653 4.701) 5.415 15.444 ( -0.308 3.601 -3.862) 5.289 20.191 ( -2.996 0.004 4.015) 5.010 20.261 ( 2.676 0.458 -2.624) 3.776 20.713 ( 2.716 -0.457 3.769) 4.668 20.780 ( -6.588 1.549 -2.856) 7.345 21.993 ( 14.109 -6.648 2.859) 15.857 22.044 ( -10.480 -5.757 -2.106) 12.141 22.445 ( 2.852 1.738 6.558) 7.360 22.589 ( -1.984 4.904 -6.548) 8.418 23.381 ( -2.793 -0.907 2.070) 3.593 23.428 ( 2.815 -1.364 -2.308) 3.888 23.759 ( -3.798 1.355 2.228) 4.607 23.827 ( 4.776 2.322 -4.388) 6.889 ======================= Grid point 212 (114/128) ======================= q-point: ( 0.29 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 2.600 0.000 8.195) 8.598 2.043 ( 10.396 0.000 -2.505) 10.693 2.239 ( 2.170 0.000 1.421) 2.593 2.239 ( 5.125 0.000 2.981) 5.929 2.318 ( 12.086 0.000 -0.036) 12.086 2.424 ( 7.912 0.000 0.740) 7.947 2.684 ( 2.348 0.000 2.455) 3.397 2.866 ( 11.185 0.000 2.426) 11.445 3.204 ( -9.802 -0.000 -8.881) 13.227 3.439 ( -5.465 -0.000 3.447) 6.462 3.583 ( 5.272 0.000 -0.245) 5.277 3.709 ( -6.407 -0.000 -6.615) 9.210 3.868 ( 2.538 0.000 7.020) 7.464 4.169 ( 1.005 0.000 1.456) 1.769 4.204 ( -1.382 -0.000 -7.575) 7.700 4.331 ( 2.863 0.000 -9.515) 9.936 5.176 ( 12.135 0.000 1.114) 12.186 5.272 ( -13.844 -0.000 8.505) 16.248 5.473 ( -2.875 -0.000 10.801) 11.177 5.701 ( -1.754 -0.000 20.701) 20.775 5.710 ( -9.197 -0.000 -11.402) 14.649 6.097 ( -5.304 -0.000 -15.343) 16.234 6.119 ( -4.667 -0.000 16.738) 17.377 6.396 ( 6.145 0.000 -22.460) 23.286 6.448 ( -7.085 -0.000 6.114) 9.358 7.286 ( -7.728 -0.000 -3.960) 8.684 7.419 ( 9.978 0.000 -4.249) 10.845 7.610 ( 3.375 0.000 -1.724) 3.790 7.899 ( 4.578 0.000 7.799) 9.044 8.077 ( 5.508 0.000 4.578) 7.162 8.585 ( 0.469 0.000 -2.522) 2.566 8.682 ( -10.439 -0.000 -2.622) 10.764 9.200 ( -4.067 -0.000 -2.328) 4.686 9.474 ( 2.534 0.000 -11.442) 11.720 9.571 ( 9.055 0.000 6.662) 11.242 10.005 ( 4.004 0.000 4.920) 6.344 10.954 ( -2.745 -0.000 3.926) 4.790 11.020 ( -4.875 -0.000 -20.309) 20.886 11.368 ( 2.764 0.000 6.897) 7.430 11.663 ( -15.538 -0.000 4.625) 16.212 11.735 ( -5.158 -0.000 -6.896) 8.611 12.284 ( -5.157 -0.000 -6.826) 8.555 12.410 ( 8.649 0.000 10.121) 13.313 13.404 ( -0.486 -0.000 3.932) 3.962 14.792 ( -2.691 -0.000 9.153) 9.540 14.975 ( -0.992 -0.000 -7.420) 7.486 15.403 ( 1.123 0.000 6.655) 6.749 15.605 ( 3.471 0.000 -1.726) 3.876 20.174 ( -2.543 -0.000 1.518) 2.962 20.309 ( 3.948 0.000 7.048) 8.078 20.658 ( 3.979 0.000 -4.703) 6.160 21.057 ( -8.519 -0.000 -6.152) 10.509 21.797 ( 5.221 0.000 -0.005) 5.221 21.989 ( -1.077 -0.000 5.034) 5.148 22.050 ( -12.290 -0.000 3.929) 12.902 22.813 ( 5.663 0.000 -4.771) 7.405 23.359 ( 0.632 0.000 2.129) 2.221 23.527 ( -1.269 -0.000 1.800) 2.203 23.688 ( -0.951 -0.000 4.075) 4.184 23.948 ( 4.361 0.000 -13.502) 14.189 ======================= Grid point 213 (115/128) ======================= q-point: ( 0.43 0.29 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 4.224 1.533 10.913) 11.802 2.140 ( 8.403 3.357 -3.406) 9.669 2.224 ( -0.100 0.774 -1.417) 1.618 2.320 ( 1.638 -0.445 3.445) 3.840 2.478 ( 8.121 1.626 1.419) 8.403 2.573 ( 7.338 -3.621 -0.616) 8.206 2.694 ( 0.417 1.642 2.261) 2.825 2.980 ( 1.438 2.917 -6.060) 6.878 3.056 ( 0.175 1.990 1.787) 2.680 3.303 ( -8.712 3.506 1.651) 9.535 3.564 ( -3.652 3.073 -0.489) 4.798 3.692 ( 1.076 -4.489 -9.221) 10.312 3.872 ( -4.046 0.648 11.469) 12.179 4.075 ( -3.318 2.893 -11.199) 12.033 4.307 ( 9.074 -3.746 -2.768) 10.199 4.447 ( 7.298 -5.062 0.672) 8.907 5.065 ( -10.688 7.279 5.998) 14.255 5.303 ( 6.878 4.462 8.503) 11.812 5.525 ( -2.702 -5.634 -0.580) 6.276 5.589 ( -4.632 -5.684 1.304) 7.447 5.682 ( -7.136 0.276 6.977) 9.984 5.984 ( -4.866 -1.871 -11.534) 12.657 6.090 ( -5.183 0.031 12.880) 13.884 6.394 ( 1.706 0.856 1.902) 2.694 6.449 ( 1.877 -2.851 -9.124) 9.741 7.151 ( -7.446 -1.616 -12.287) 14.458 7.580 ( 9.906 0.892 -0.833) 9.981 7.677 ( 9.743 0.966 0.079) 9.791 7.967 ( 3.682 2.761 7.880) 9.125 8.209 ( 5.948 -4.389 5.229) 9.055 8.410 ( -8.438 8.526 -4.719) 12.890 8.662 ( -5.576 -7.349 -2.644) 9.596 9.149 ( -2.278 -0.497 -0.078) 2.333 9.472 ( 0.468 -2.141 -13.119) 13.301 9.700 ( 7.664 2.711 7.688) 11.189 10.045 ( 0.911 1.126 1.464) 2.059 10.875 ( -1.391 3.231 -5.479) 6.511 10.956 ( -2.376 -2.100 -6.751) 7.458 11.249 ( -5.042 12.107 7.976) 15.350 11.644 ( -6.486 -12.559 4.391) 14.802 11.670 ( -2.641 -2.196 -6.676) 7.507 12.163 ( -7.862 -1.516 -9.119) 12.136 12.612 ( 13.576 0.821 11.854) 18.041 13.377 ( -4.004 0.341 1.238) 4.205 14.785 ( -2.625 -0.585 8.812) 9.213 14.956 ( -0.170 -1.436 -7.009) 7.157 15.432 ( 1.234 1.050 6.505) 6.704 15.632 ( 1.809 0.670 -3.092) 3.644 20.156 ( -1.117 -0.395 2.812) 3.052 20.388 ( 5.064 2.082 6.051) 8.160 20.636 ( -6.734 -2.554 -3.958) 8.218 20.982 ( 1.974 0.623 -9.468) 9.691 21.680 ( -7.763 4.638 0.290) 9.048 21.941 ( -8.729 -4.951 2.614) 10.370 22.165 ( 10.745 -1.857 11.241) 15.661 22.849 ( 2.767 0.943 -6.698) 7.308 23.376 ( 1.712 0.692 1.704) 2.513 23.520 ( -2.572 -0.663 2.045) 3.352 23.677 ( 0.404 1.011 4.065) 4.209 23.952 ( 1.942 0.357 -12.770) 12.921 ======================= Grid point 214 (116/128) ======================= q-point: (-0.43 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 4.297 4.723 13.209) 14.671 2.155 ( 2.069 2.960 -3.568) 5.077 2.214 ( 0.792 1.238 -0.506) 1.554 2.313 ( -0.698 2.359 5.687) 6.196 2.507 ( 0.903 3.045 -3.101) 4.439 2.621 ( -0.635 4.018 -2.023) 4.543 2.666 ( -0.438 3.995 0.230) 4.025 2.840 ( -1.811 7.537 -6.230) 9.945 3.083 ( -1.022 1.992 10.099) 10.344 3.193 ( 1.107 1.319 -3.416) 3.826 3.483 ( -2.036 0.855 -0.227) 2.219 3.713 ( -3.821 -2.805 -9.313) 10.450 3.862 ( -2.056 -2.652 8.486) 9.125 4.000 ( 0.114 -0.187 -6.461) 6.464 4.455 ( 7.338 -0.199 0.999) 7.409 4.613 ( -0.124 -5.310 0.635) 5.349 4.866 ( 4.494 10.811 7.432) 13.868 5.318 ( -2.728 -0.528 9.789) 10.176 5.483 ( -9.354 -2.601 -6.840) 11.876 5.598 ( -3.466 -2.265 -0.005) 4.140 5.747 ( -0.134 -10.178 8.861) 13.496 5.983 ( 1.926 -5.547 -10.941) 12.417 6.057 ( -4.604 1.146 16.210) 16.890 6.439 ( 4.281 -0.945 -2.973) 5.297 6.508 ( 3.545 -3.086 -4.196) 6.301 7.048 ( -4.736 -1.368 -17.048) 17.747 7.646 ( 8.534 5.740 2.007) 10.478 7.840 ( 10.249 0.149 -0.011) 10.250 7.970 ( 0.104 2.232 6.050) 6.450 8.119 ( -10.832 6.736 -6.616) 14.369 8.400 ( 6.392 -4.625 4.783) 9.226 8.660 ( -7.049 -5.860 -3.077) 9.670 9.166 ( 0.884 -2.109 3.965) 4.577 9.463 ( -1.214 -2.121 -12.424) 12.662 9.732 ( 4.175 7.007 6.817) 10.630 9.995 ( -2.151 3.776 -3.908) 5.844 10.838 ( -0.637 -0.350 0.471) 0.866 10.945 ( -2.083 -3.417 -8.024) 8.967 11.105 ( 1.666 5.203 13.588) 14.646 11.631 ( -4.316 -3.713 -11.209) 12.572 11.793 ( -0.092 -8.842 6.569) 11.015 12.071 ( -6.200 -3.207 -7.736) 10.420 12.820 ( 13.513 1.367 10.214) 16.994 13.293 ( -6.898 0.417 -1.980) 7.189 14.792 ( -2.633 -1.754 9.174) 9.704 14.966 ( 0.462 -2.212 -6.706) 7.077 15.446 ( 1.423 2.110 5.868) 6.396 15.614 ( 0.168 2.084 -4.447) 4.914 20.170 ( 0.792 -0.287 3.980) 4.068 20.373 ( -2.213 3.442 -1.099) 4.237 20.616 ( 0.017 -2.542 3.367) 4.219 20.954 ( -4.251 0.011 -9.143) 10.083 21.610 ( 5.448 0.665 3.231) 6.369 21.905 ( -10.176 -6.976 0.402) 12.344 22.357 ( 9.406 0.042 11.403) 14.782 22.818 ( -0.641 2.249 -8.937) 9.238 23.398 ( 2.230 0.831 1.225) 2.676 23.471 ( -2.663 2.100 1.132) 3.575 23.711 ( 0.694 -2.011 4.660) 5.122 23.918 ( 0.274 1.282 -10.485) 10.567 ======================= Grid point 215 (117/128) ======================= q-point: (-0.29 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.083 6.944 8.235) 10.773 2.078 ( -0.957 5.807 -0.569) 5.913 2.226 ( 1.398 3.541 7.717) 8.605 2.305 ( 0.576 1.968 6.714) 7.020 2.372 ( -6.760 6.060 -2.546) 9.429 2.467 ( -4.680 8.082 -1.757) 9.503 2.576 ( 0.769 5.049 -2.259) 5.585 2.713 ( 3.855 9.392 -8.730) 13.389 3.052 ( -3.975 0.207 8.174) 9.091 3.224 ( 5.245 0.845 -5.758) 7.834 3.518 ( 3.502 -3.400 4.085) 6.365 3.643 ( -6.201 -2.439 -5.115) 8.400 3.906 ( -1.613 -2.862 4.165) 5.305 4.038 ( 3.225 -2.471 -4.604) 6.140 4.515 ( -0.595 0.204 3.154) 3.217 4.573 ( 1.534 4.644 -1.552) 5.131 4.960 ( 11.615 3.075 15.941) 19.961 5.216 ( -14.506 -1.476 -9.792) 17.564 5.458 ( 0.791 -4.142 9.252) 10.167 5.626 ( 0.196 -4.054 -4.636) 6.162 5.888 ( -4.824 -9.720 11.262) 15.639 6.004 ( -5.804 0.118 13.606) 14.793 6.106 ( 4.843 -3.029 -4.552) 7.305 6.489 ( 4.581 -1.083 -20.059) 20.604 6.649 ( 7.665 -5.412 6.675) 11.515 6.947 ( -3.081 0.512 -18.428) 18.691 7.670 ( 7.189 7.571 3.929) 11.155 7.775 ( -9.139 5.913 -5.486) 12.189 7.953 ( -2.159 0.719 3.928) 4.539 8.025 ( 4.415 -0.811 -2.468) 5.122 8.558 ( 4.412 -4.368 4.045) 7.410 8.637 ( -5.365 -4.667 -2.835) 7.655 9.234 ( 1.456 -1.546 6.529) 6.865 9.421 ( -2.046 -0.279 -10.629) 10.827 9.687 ( 3.921 7.940 7.614) 11.679 9.871 ( -2.922 4.738 -9.419) 10.941 10.833 ( -6.496 -4.843 6.838) 10.603 10.986 ( 3.340 -2.999 -4.501) 6.357 11.213 ( 8.712 -2.393 13.364) 16.131 11.570 ( -6.011 -3.270 -16.252) 17.634 11.926 ( -0.218 -5.891 6.636) 8.877 12.048 ( -1.825 -4.050 -5.202) 6.841 13.007 ( 12.009 1.550 8.844) 14.994 13.161 ( -9.334 0.526 -5.437) 10.815 14.812 ( -3.515 -2.487 10.182) 11.055 14.993 ( 1.544 -2.430 -6.667) 7.262 15.443 ( 0.992 2.992 5.264) 6.135 15.554 ( -0.271 3.413 -5.206) 6.231 20.199 ( 0.711 0.584 4.965) 5.049 20.289 ( -1.220 1.465 -3.372) 3.874 20.686 ( 0.043 -1.387 7.261) 7.392 20.828 ( -4.321 1.373 -6.181) 7.666 21.811 ( 14.325 -5.216 2.342) 15.423 21.853 ( -11.287 -6.366 -1.797) 13.083 22.488 ( 5.945 1.310 10.023) 11.727 22.712 ( -4.247 3.257 -10.354) 11.655 23.396 ( -1.554 1.737 2.160) 3.178 23.432 ( 1.888 1.189 -1.229) 2.547 23.751 ( -1.842 -1.500 4.734) 5.296 23.880 ( 1.594 0.919 -7.998) 8.207 ======================= Grid point 216 (118/128) ======================= q-point: (-0.14 0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -4.711 6.230 2.510) 8.204 2.017 ( 5.009 6.780 4.657) 9.631 2.078 ( -5.464 10.321 8.315) 14.336 2.196 ( -3.477 4.682 5.386) 7.938 2.320 ( 1.784 7.689 1.191) 7.983 2.398 ( 2.243 -2.789 4.381) 5.657 2.532 ( 3.572 4.721 -5.860) 8.330 2.603 ( 4.605 8.513 -9.451) 13.528 3.049 ( -1.445 -3.253 6.106) 7.068 3.267 ( 5.410 0.455 -7.552) 9.301 3.604 ( -3.547 -2.829 -2.929) 5.400 3.659 ( 5.794 -2.904 5.860) 8.738 3.938 ( -1.878 -3.500 4.390) 5.920 4.077 ( -0.176 -0.878 -5.236) 5.312 4.478 ( -1.661 0.419 -1.652) 2.380 4.546 ( 4.901 8.383 2.462) 10.018 4.978 ( -14.477 -4.689 -8.429) 17.396 5.159 ( 8.524 0.925 19.065) 20.904 5.570 ( 0.214 -3.933 7.164) 8.176 5.680 ( 0.617 -3.673 -3.972) 5.445 5.961 ( -5.313 -6.009 3.266) 8.660 5.981 ( -4.824 -1.383 21.092) 21.680 6.159 ( 1.427 -0.599 -4.061) 4.346 6.473 ( 2.178 0.735 -23.340) 23.453 6.825 ( 0.474 2.594 -9.482) 9.841 6.897 ( 8.880 -4.874 -3.806) 10.821 7.570 ( -7.547 2.307 -4.525) 9.097 7.653 ( 1.913 4.781 7.755) 9.309 7.953 ( -0.145 -0.769 1.608) 1.788 8.038 ( -1.125 0.930 -5.654) 5.839 8.596 ( -5.167 -3.111 -1.003) 6.114 8.719 ( 5.408 -3.981 3.145) 7.415 9.267 ( 0.650 1.538 6.347) 6.563 9.365 ( -0.566 1.590 -6.831) 7.036 9.695 ( 5.579 3.441 7.802) 10.190 9.733 ( -1.865 4.285 -11.682) 12.582 10.855 ( -6.704 -7.629 7.163) 12.428 11.065 ( 2.330 -2.824 0.720) 3.731 11.430 ( 1.617 -4.097 -2.457) 5.043 11.492 ( 2.696 -3.589 -5.153) 6.834 11.974 ( -3.673 -2.700 3.484) 5.737 12.105 ( 2.013 -3.186 -0.760) 3.845 12.980 ( -11.745 1.271 -8.547) 14.581 13.161 ( 9.355 1.205 8.033) 12.389 14.820 ( -4.430 -1.992 10.062) 11.174 15.039 ( 2.217 -2.282 -5.687) 6.517 15.402 ( -1.496 3.711 3.038) 5.024 15.505 ( 2.690 3.115 -2.744) 4.946 20.178 ( -1.740 1.251 2.948) 3.645 20.313 ( 5.016 -0.373 -1.629) 5.287 20.592 ( -9.495 1.876 3.512) 10.297 20.900 ( 9.545 -2.061 2.715) 10.135 21.762 ( -11.532 -4.396 -4.246) 13.052 22.096 ( 10.170 -6.319 0.195) 11.975 22.528 ( -0.178 3.212 6.083) 6.881 22.581 ( -2.151 1.936 -7.391) 7.937 23.357 ( -1.671 0.799 1.934) 2.678 23.451 ( 2.802 -0.166 -2.071) 3.489 23.724 ( -3.836 0.689 3.210) 5.049 23.891 ( 3.262 0.192 -5.596) 6.480 ======================= Grid point 220 (119/128) ======================= q-point: ( 0.43 0.43 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 5.573 0.000 10.971) 12.306 2.221 ( -0.016 -0.000 -1.058) 1.059 2.252 ( 2.539 0.000 -3.584) 4.392 2.350 ( 0.222 0.000 4.987) 4.992 2.557 ( 3.047 0.000 -6.653) 7.318 2.608 ( 0.103 0.000 2.075) 2.078 2.755 ( 5.094 0.000 3.906) 6.419 2.948 ( -1.072 -0.000 -7.382) 7.459 3.170 ( 6.511 0.000 5.080) 8.258 3.195 ( -11.303 -0.000 9.264) 14.615 3.533 ( -3.213 -0.000 -5.382) 6.268 3.640 ( 1.210 0.000 -14.580) 14.630 3.831 ( -6.423 -0.000 13.156) 14.640 4.011 ( -2.734 -0.000 -8.471) 8.902 4.464 ( 16.607 0.000 -6.824) 17.954 4.473 ( -0.502 -0.000 7.263) 7.280 5.077 ( 1.264 0.000 4.415) 4.592 5.370 ( -10.632 -0.000 -6.310) 12.363 5.452 ( 0.996 0.000 3.244) 3.393 5.474 ( -4.301 -0.000 19.185) 19.661 5.579 ( -7.062 -0.000 -2.198) 7.396 5.875 ( 0.289 0.000 -15.337) 15.340 6.073 ( -4.792 -0.000 17.636) 18.276 6.445 ( 6.739 0.000 -21.272) 22.314 6.451 ( 0.616 0.000 17.778) 17.789 7.020 ( -3.048 -0.000 -17.991) 18.247 7.761 ( 11.928 0.000 3.217) 12.354 7.815 ( 9.829 0.000 2.672) 10.186 8.052 ( 0.134 0.000 6.280) 6.281 8.211 ( -3.474 -0.000 -2.678) 4.387 8.384 ( -4.046 -0.000 1.455) 4.300 8.491 ( -5.246 -0.000 -4.980) 7.233 9.134 ( 0.364 0.000 2.215) 2.244 9.413 ( -0.771 -0.000 -13.643) 13.664 9.844 ( 6.034 0.000 7.064) 9.291 10.060 ( -0.818 -0.000 0.085) 0.822 10.867 ( 2.713 0.000 -15.124) 15.366 10.868 ( -7.500 -0.000 3.202) 8.155 11.305 ( -8.135 -0.000 9.470) 12.485 11.499 ( 1.237 0.000 3.815) 4.010 11.620 ( 1.982 0.000 -3.113) 3.691 12.012 ( -8.060 -0.000 -8.746) 11.894 12.842 ( 13.484 0.000 9.876) 16.714 13.301 ( -7.017 -0.000 -1.360) 7.147 14.763 ( -3.423 -0.000 9.737) 10.321 14.930 ( 0.858 0.000 -6.862) 6.916 15.479 ( 1.481 0.000 6.383) 6.553 15.646 ( 0.925 0.000 -4.535) 4.628 20.166 ( 1.456 0.000 4.572) 4.798 20.475 ( -8.885 -0.000 -6.052) 10.751 20.521 ( 6.308 0.000 9.315) 11.250 20.960 ( -2.052 -0.000 -11.504) 11.686 21.663 ( -0.054 -0.000 -0.533) 0.536 21.755 ( -9.230 -0.000 3.841) 9.997 22.364 ( 11.073 0.000 12.424) 16.642 22.850 ( -0.419 -0.000 -8.905) 8.915 23.418 ( 2.583 0.000 1.623) 3.051 23.489 ( -2.055 -0.000 1.778) 2.717 23.691 ( -0.900 -0.000 5.723) 5.793 23.932 ( 0.414 0.000 -13.505) 13.512 ======================= Grid point 221 (120/128) ======================= q-point: (-0.43 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( 0.434 3.292 9.098) 9.685 2.199 ( -3.919 1.560 3.557) 5.518 2.226 ( 2.208 -0.710 3.809) 4.459 2.354 ( 1.207 1.579 -5.281) 5.642 2.522 ( -3.113 4.631 0.751) 5.631 2.613 ( 1.003 -0.014 -7.074) 7.145 2.783 ( 0.585 4.653 5.390) 7.145 2.902 ( -0.131 3.035 -5.443) 6.233 3.077 ( -6.941 1.193 13.620) 15.333 3.248 ( 3.454 0.684 2.761) 4.474 3.473 ( -1.468 0.711 -4.118) 4.429 3.607 ( -0.462 -0.413 -15.781) 15.794 3.814 ( -2.857 -2.405 11.378) 11.975 3.990 ( 1.578 -0.823 -2.770) 3.292 4.452 ( -7.069 -2.386 6.656) 9.999 4.660 ( 13.274 1.181 -10.843) 17.181 5.117 ( 8.424 5.085 6.207) 11.634 5.197 ( -11.766 0.383 -1.587) 11.879 5.411 ( -1.428 0.887 8.503) 8.668 5.523 ( 0.522 -2.998 -2.765) 4.111 5.573 ( -6.027 -8.859 11.668) 15.841 5.907 ( 3.837 -4.751 -14.202) 15.460 6.052 ( -5.265 -0.064 17.497) 18.272 6.472 ( 5.608 0.046 -18.329) 19.167 6.545 ( 4.596 -1.719 13.302) 14.178 6.944 ( -0.385 -0.211 -20.484) 20.488 7.890 ( 11.351 5.101 5.567) 13.633 7.963 ( -5.085 0.352 3.049) 5.940 7.977 ( 0.536 4.984 0.360) 5.026 8.045 ( -5.464 2.690 -4.938) 7.841 8.426 ( 4.352 -3.732 2.076) 6.097 8.471 ( -4.785 -5.555 -2.378) 7.708 9.172 ( 1.669 -1.551 5.133) 5.616 9.369 ( -1.927 -1.930 -13.158) 13.438 9.899 ( 3.803 4.584 6.422) 8.759 10.009 ( -2.500 3.141 -3.115) 5.081 10.755 ( -8.977 -0.729 3.508) 9.665 10.910 ( 6.440 -1.629 -10.978) 12.831 11.243 ( 1.347 3.521 14.330) 14.817 11.505 ( -2.522 -1.644 -9.124) 9.608 11.736 ( 4.664 -5.124 7.600) 10.284 11.908 ( -6.135 -4.050 -7.691) 10.639 13.044 ( 12.165 0.757 7.922) 14.537 13.177 ( -9.056 0.355 -4.428) 10.087 14.754 ( -3.411 -1.154 10.510) 11.110 14.936 ( 1.500 -1.162 -6.395) 6.671 15.509 ( 1.519 1.243 5.478) 5.819 15.627 ( -0.063 1.326 -5.576) 5.732 20.219 ( 3.875 0.521 6.128) 7.269 20.336 ( -5.690 1.310 -4.886) 7.613 20.639 ( 3.364 -1.315 10.527) 11.129 20.853 ( -7.001 0.370 -9.596) 11.884 21.686 ( -2.520 -2.759 2.039) 4.257 21.729 ( 5.378 -1.810 -1.798) 5.953 22.523 ( 7.175 0.847 11.735) 13.781 22.778 ( -4.337 1.198 -11.627) 12.467 23.449 ( 0.493 1.350 1.602) 2.152 23.463 ( 0.129 0.453 0.346) 0.584 23.705 ( -0.849 -1.053 6.734) 6.868 23.889 ( -0.796 -0.025 -11.172) 11.200 ======================= Grid point 222 (121/128) ======================= q-point: (-0.29 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -5.371 4.941 5.639) 9.223 2.148 ( -3.395 0.600 6.039) 6.954 2.271 ( -3.640 2.795 -8.686) 9.824 2.317 ( -0.197 3.307 5.289) 6.241 2.389 ( -0.213 4.504 10.669) 11.582 2.560 ( 0.816 5.333 -5.728) 7.869 2.703 ( 1.302 7.681 4.813) 9.157 2.824 ( -0.756 3.808 -7.516) 8.459 3.027 ( -4.602 1.401 9.432) 10.588 3.293 ( 4.367 0.379 -2.278) 4.939 3.457 ( -3.735 -4.088 -0.652) 5.575 3.600 ( 4.932 -0.866 -3.069) 5.873 3.854 ( -1.478 -2.289 5.554) 6.186 4.043 ( 3.520 -1.300 -3.727) 5.289 4.410 ( -7.493 -4.494 3.221) 9.312 4.733 ( 7.030 2.463 -9.241) 11.870 4.968 ( -11.460 4.978 -2.575) 12.757 5.234 ( 8.789 3.092 11.481) 14.786 5.475 ( 2.705 -2.168 9.271) 9.898 5.558 ( 0.153 -3.721 -4.364) 5.738 5.693 ( -1.554 -9.696 9.465) 13.638 5.946 ( -5.181 -2.067 6.744) 8.752 6.082 ( 0.560 -4.375 1.092) 4.544 6.478 ( 3.496 0.090 -20.790) 21.082 6.730 ( 10.459 -4.422 10.430) 15.418 6.881 ( 0.893 0.949 -20.534) 20.576 7.710 ( -11.110 6.174 -3.496) 13.182 7.822 ( -9.262 3.758 1.772) 10.152 7.993 ( 9.513 4.937 4.416) 11.592 8.079 ( 3.161 1.815 -2.616) 4.487 8.473 ( -4.687 -4.861 -1.857) 7.003 8.582 ( 5.894 -5.411 3.105) 8.583 9.244 ( 0.790 -2.383 6.484) 6.954 9.339 ( -1.467 -2.596 -10.256) 10.681 9.862 ( 0.156 6.434 1.838) 6.693 9.903 ( 0.514 5.860 -2.759) 6.498 10.688 ( -6.777 -3.163 6.832) 10.129 10.997 ( 4.947 -1.497 -5.544) 7.580 11.336 ( 6.763 -1.559 12.622) 14.405 11.432 ( -3.120 0.199 -13.197) 13.562 11.858 ( -0.909 -5.023 4.412) 6.747 11.956 ( 2.498 -6.507 -0.488) 6.987 13.013 ( -10.461 0.864 -7.604) 12.961 13.202 ( 9.486 1.345 6.467) 11.560 14.762 ( -3.132 -1.652 10.792) 11.358 14.968 ( 2.166 -2.170 -5.843) 6.598 15.507 ( -0.083 2.945 3.288) 4.415 15.584 ( 0.599 1.942 -4.694) 5.115 20.227 ( -2.105 1.788 0.291) 2.777 20.315 ( 4.895 0.488 1.997) 5.309 20.646 ( -6.131 1.700 4.956) 8.064 20.807 ( 0.937 -3.901 0.953) 4.124 21.668 ( -3.492 -1.752 -2.332) 4.550 21.922 ( 12.227 -5.027 -0.982) 13.256 22.609 ( 2.671 1.945 9.532) 10.088 22.626 ( -7.717 1.593 -12.665) 14.916 23.401 ( -2.163 1.735 1.019) 2.954 23.486 ( 3.113 1.632 -0.322) 3.529 23.718 ( -2.717 -0.855 5.444) 6.144 23.865 ( 0.458 -1.408 -7.076) 7.229 ======================= Grid point 223 (122/128) ======================= q-point: (-0.14 -0.57 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -7.870 5.991 2.486) 10.198 2.129 ( -3.962 0.932 5.417) 6.776 2.153 ( -2.845 3.799 13.630) 14.432 2.215 ( 2.680 3.644 -4.334) 6.264 2.410 ( -0.605 2.579 2.002) 3.321 2.497 ( 3.083 5.420 5.676) 8.432 2.661 ( 4.618 5.491 -2.519) 7.604 2.730 ( 1.587 4.983 -7.028) 8.760 2.982 ( -4.144 -2.636 6.005) 7.757 3.318 ( 2.962 0.852 -9.381) 9.874 3.507 ( 0.031 -5.177 2.654) 5.817 3.729 ( 6.612 -3.012 4.136) 8.360 3.870 ( -2.452 -1.940 4.219) 5.252 4.059 ( 0.221 1.357 -5.686) 5.850 4.402 ( -4.653 -4.825 0.198) 6.706 4.685 ( -14.166 -1.497 -8.434) 16.555 4.817 ( 13.000 9.578 0.696) 16.163 5.338 ( 2.721 1.084 15.378) 15.654 5.464 ( -8.209 -4.300 3.685) 9.973 5.694 ( 8.278 -1.306 0.241) 8.384 5.831 ( 1.189 -6.092 3.588) 7.169 5.925 ( -6.098 -2.731 14.290) 15.775 6.127 ( -1.678 -2.318 -0.919) 3.006 6.445 ( 1.787 0.648 -20.850) 20.936 6.807 ( 0.347 2.082 -18.742) 18.860 7.012 ( 14.910 -4.286 5.797) 16.562 7.511 ( -5.427 3.386 -2.270) 6.788 7.652 ( -10.863 -0.037 3.460) 11.401 8.005 ( -1.668 3.743 -3.923) 5.673 8.067 ( 6.773 5.505 1.654) 8.883 8.467 ( -4.910 -4.464 -2.865) 7.228 8.751 ( 5.885 -3.915 4.609) 8.438 9.264 ( -2.177 -1.272 -1.089) 2.746 9.364 ( 1.410 -1.551 0.916) 2.288 9.736 ( -1.961 5.118 -9.587) 11.043 9.877 ( 5.439 4.874 6.198) 9.578 10.690 ( -5.276 -5.010 8.724) 11.359 11.047 ( 0.392 -2.021 -1.387) 2.482 11.297 ( -3.823 1.095 -17.089) 17.546 11.577 ( 9.463 -5.512 10.100) 14.898 11.925 ( 0.798 -2.729 3.416) 4.444 12.081 ( 2.517 -3.943 3.448) 5.812 12.812 ( -11.562 1.844 -10.356) 15.631 13.308 ( 6.008 1.336 5.567) 8.299 14.776 ( -2.429 -1.247 9.766) 10.141 15.020 ( 2.269 -2.409 -4.964) 5.966 15.439 ( -2.011 3.903 0.404) 4.410 15.571 ( 2.103 1.605 -1.527) 3.055 20.189 ( -0.251 1.068 0.801) 1.358 20.354 ( -0.027 0.884 -0.721) 1.141 20.587 ( 2.665 2.645 6.422) 7.439 20.907 ( -1.173 -7.194 4.424) 8.526 21.643 ( 1.400 1.075 -4.387) 4.729 22.100 ( -0.048 -2.269 -3.152) 3.884 22.499 ( -0.570 -3.070 -9.393) 9.898 22.615 ( -1.352 3.293 7.788) 8.563 23.358 ( -1.228 1.176 1.202) 2.082 23.490 ( 1.909 1.903 -1.316) 2.999 23.695 ( -2.648 -0.060 3.072) 4.056 23.891 ( 1.257 -2.066 -4.240) 4.882 ======================= Grid point 228 (123/128) ======================= q-point: (-0.43 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -8.639 -0.000 6.899) 11.056 2.152 ( -5.372 -0.000 4.808) 7.209 2.313 ( 5.526 0.000 8.384) 10.041 2.351 ( -0.214 -0.000 -11.710) 11.712 2.522 ( -4.870 -0.000 0.334) 4.881 2.632 ( 2.426 0.000 -2.418) 3.426 2.808 ( -1.280 -0.000 2.769) 3.051 2.861 ( -5.321 -0.000 -5.716) 7.809 3.051 ( -4.700 -0.000 17.589) 18.206 3.298 ( 0.642 0.000 6.074) 6.108 3.437 ( -2.168 -0.000 -3.525) 4.138 3.594 ( 4.658 0.000 -16.165) 16.823 3.811 ( 0.178 0.000 13.428) 13.429 4.011 ( 3.219 0.000 0.355) 3.238 4.326 ( -9.342 -0.000 3.073) 9.834 4.738 ( -2.460 -0.000 -17.023) 17.200 5.125 ( 3.565 0.000 -0.047) 3.565 5.257 ( 4.427 0.000 5.550) 7.099 5.451 ( -6.860 -0.000 18.528) 19.758 5.480 ( 6.306 0.000 4.840) 7.949 5.549 ( 6.673 0.000 -0.349) 6.682 5.863 ( 2.083 0.000 -17.023) 17.150 6.017 ( -6.547 -0.000 18.266) 19.404 6.483 ( 3.768 0.000 -19.855) 20.209 6.665 ( 8.809 0.000 14.121) 16.643 6.896 ( 2.164 0.000 -21.728) 21.836 7.809 ( -14.966 -0.000 -0.886) 14.992 7.889 ( -11.424 -0.000 -4.136) 12.149 8.092 ( 7.250 0.000 3.573) 8.083 8.145 ( 8.923 0.000 2.826) 9.360 8.413 ( 1.628 0.000 -0.672) 1.761 8.425 ( 2.203 0.000 0.512) 2.262 9.196 ( 1.095 0.000 6.550) 6.641 9.287 ( -1.912 -0.000 -12.318) 12.465 9.973 ( -4.633 -0.000 -4.086) 6.177 9.997 ( 2.521 0.000 5.379) 5.941 10.650 ( -5.937 -0.000 4.705) 7.575 10.978 ( 7.695 0.000 -7.890) 11.021 11.323 ( 1.673 0.000 13.735) 13.836 11.478 ( 2.817 0.000 -5.785) 6.435 11.747 ( -6.881 -0.000 -8.125) 10.647 11.821 ( 7.481 0.000 8.383) 11.236 13.027 ( -10.152 -0.000 -7.257) 12.479 13.225 ( 9.750 0.000 5.881) 11.386 14.736 ( -2.458 -0.000 11.080) 11.349 14.932 ( 1.861 0.000 -6.000) 6.282 15.554 ( 1.365 0.000 4.168) 4.386 15.612 ( -0.863 -0.000 -6.107) 6.168 20.258 ( -3.928 -0.000 -4.148) 5.713 20.328 ( 7.486 0.000 7.858) 10.854 20.699 ( 0.484 0.000 12.911) 12.920 20.708 ( -9.068 -0.000 -8.369) 12.340 21.648 ( 1.609 0.000 0.758) 1.779 21.839 ( 10.873 0.000 -3.839) 11.530 22.638 ( 3.341 0.000 10.595) 11.109 22.657 ( -8.925 -0.000 -14.507) 17.033 23.435 ( -2.072 -0.000 0.085) 2.074 23.507 ( 2.986 0.000 0.157) 2.990 23.703 ( -1.444 -0.000 8.405) 8.528 23.839 ( -1.455 -0.000 -8.790) 8.909 ======================= Grid point 229 (124/128) ======================= q-point: (-0.29 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -6.317 2.118 8.232) 10.590 2.042 ( -9.127 -0.559 4.532) 10.206 2.288 ( -0.119 1.584 -10.504) 10.623 2.341 ( -4.850 4.107 4.380) 7.718 2.444 ( -2.166 0.568 4.226) 4.782 2.601 ( -3.888 -0.014 -3.407) 5.170 2.767 ( -3.631 0.870 -4.066) 5.520 2.818 ( 2.579 2.610 3.895) 5.351 3.023 ( -4.489 1.963 9.355) 10.560 3.329 ( 1.044 -1.693 7.480) 7.740 3.398 ( -1.327 1.540 2.155) 2.962 3.644 ( 5.441 -2.298 -7.863) 9.835 3.866 ( 2.241 0.932 9.895) 10.188 4.082 ( 5.169 -0.524 -1.464) 5.397 4.229 ( -8.602 -4.113 0.780) 9.566 4.578 ( -13.806 -3.369 -11.060) 18.008 5.158 ( 11.660 9.737 -2.080) 15.332 5.353 ( -1.580 -3.313 3.744) 5.242 5.384 ( -4.325 1.453 9.489) 10.529 5.651 ( 13.745 -0.907 5.535) 14.846 5.678 ( 6.072 -2.921 6.369) 9.272 5.852 ( -2.752 -2.476 -5.939) 6.998 6.017 ( -2.932 -3.623 10.334) 11.337 6.457 ( 1.469 0.290 -19.128) 19.186 6.853 ( 4.808 1.115 -17.848) 18.517 6.898 ( 13.467 -2.634 6.587) 15.221 7.578 ( -15.258 0.361 -0.278) 15.265 7.704 ( -9.922 3.071 -2.419) 10.665 8.106 ( -1.309 3.116 -4.155) 5.356 8.248 ( 6.452 0.205 2.774) 7.026 8.371 ( -0.217 4.039 -1.774) 4.417 8.594 ( 7.046 -7.043 3.494) 10.557 9.226 ( -0.715 -0.574 -0.828) 1.235 9.267 ( 0.353 -3.313 -0.757) 3.416 9.860 ( -5.996 2.446 -6.508) 9.181 10.013 ( 1.574 3.015 3.924) 5.193 10.622 ( -1.758 -0.468 8.288) 8.485 11.032 ( 2.591 0.538 -5.144) 5.784 11.414 ( 1.012 0.645 2.507) 2.779 11.460 ( 6.997 4.294 1.263) 8.306 11.749 ( 0.783 -8.858 -3.128) 9.427 11.969 ( 6.434 -2.444 8.592) 11.009 12.850 ( -10.626 0.693 -10.136) 14.701 13.346 ( 6.201 0.882 4.363) 7.633 14.749 ( -1.046 -0.457 10.789) 10.849 14.954 ( 2.272 -1.489 -5.775) 6.382 15.545 ( -1.266 2.830 -1.432) 3.415 15.592 ( 0.317 -0.354 -1.836) 1.896 20.210 ( -1.037 0.286 -2.338) 2.574 20.428 ( 3.176 3.767 3.916) 6.294 20.600 ( -1.726 -2.862 -1.121) 3.525 20.744 ( -1.894 -2.188 11.436) 11.796 21.695 ( 6.142 1.841 -0.970) 6.485 22.012 ( 10.652 -2.927 -3.710) 11.654 22.450 ( -12.478 -0.202 -15.453) 19.863 22.680 ( -0.348 1.112 8.968) 9.044 23.397 ( -1.547 1.321 -0.224) 2.047 23.549 ( 3.229 -0.114 -0.636) 3.293 23.688 ( -3.456 1.396 6.013) 7.074 23.822 ( -0.270 -2.370 -3.642) 4.354 ======================= Grid point 230 (125/128) ======================= q-point: (-0.14 -0.43 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -10.433 4.459 3.564) 11.893 2.077 ( -0.622 -5.380 10.734) 12.023 2.185 ( -6.076 4.959 3.925) 8.770 2.269 ( 1.863 -0.291 -4.538) 4.914 2.399 ( -4.508 0.888 -1.159) 4.739 2.544 ( -5.934 -3.781 -1.810) 7.266 2.681 ( -3.593 3.885 -4.270) 6.800 2.837 ( 2.030 2.280 2.424) 3.898 2.943 ( -0.765 2.792 6.977) 7.554 3.332 ( 0.287 2.890 -5.296) 6.040 3.473 ( 2.617 -5.841 12.400) 13.954 3.713 ( -1.314 -3.840 -4.103) 5.771 3.911 ( 4.073 2.597 8.160) 9.483 4.085 ( 0.146 2.689 -6.219) 6.777 4.245 ( -3.756 -6.289 4.261) 8.474 4.453 ( -8.417 -5.909 -5.268) 11.555 5.165 ( 0.054 4.306 3.433) 5.508 5.218 ( -0.002 6.729 -4.671) 8.191 5.476 ( 4.106 -0.909 14.228) 14.837 5.807 ( 3.919 -1.214 -7.170) 8.261 5.825 ( 0.690 -3.120 10.769) 11.233 5.875 ( 7.701 -0.616 4.504) 8.943 6.051 ( -3.836 -2.904 4.935) 6.892 6.417 ( 1.672 0.052 -16.327) 16.412 6.799 ( 1.430 2.789 -19.609) 19.858 7.202 ( 16.129 -2.888 5.387) 17.248 7.427 ( -9.580 -4.925 1.930) 10.943 7.524 ( -5.458 4.670 -1.119) 7.270 7.989 ( -4.700 3.791 -6.444) 8.831 8.292 ( -3.962 0.766 -4.161) 5.797 8.324 ( 5.880 2.714 2.461) 6.928 8.783 ( 5.235 -4.499 3.787) 7.873 9.219 ( -0.290 -0.504 -2.761) 2.821 9.342 ( 0.358 -4.044 4.970) 6.417 9.718 ( -5.254 2.104 -9.231) 10.828 9.999 ( 1.445 2.528 2.870) 4.089 10.648 ( 0.328 0.039 11.361) 11.366 11.019 ( -0.809 0.349 -3.289) 3.406 11.293 ( -0.532 6.822 -9.617) 11.803 11.639 ( 7.219 -4.544 7.570) 11.404 11.916 ( 5.561 -5.729 0.472) 7.998 12.114 ( 6.141 -1.929 9.763) 11.694 12.649 ( -10.660 1.719 -12.404) 16.445 13.401 ( 2.451 1.292 3.137) 4.185 14.777 ( 0.035 -0.088 9.126) 9.127 15.003 ( 2.601 -2.397 -5.175) 6.268 15.461 ( -2.504 3.551 -1.629) 4.640 15.594 ( 0.034 -0.034 -1.444) 1.445 20.204 ( 0.960 0.246 -0.553) 1.135 20.348 ( -3.574 2.825 -0.562) 4.591 20.691 ( -1.655 -6.068 1.690) 6.513 20.809 ( 7.541 1.319 10.576) 13.056 21.755 ( 7.679 2.888 -1.950) 8.433 22.012 ( -10.179 3.361 -7.289) 12.963 22.412 ( 5.312 -9.057 -7.514) 12.911 22.646 ( -4.119 2.803 7.438) 8.953 23.363 ( -0.509 1.083 -0.028) 1.197 23.558 ( 0.521 4.950 0.860) 5.051 23.652 ( -1.327 -3.014 0.290) 3.306 23.856 ( -0.133 -2.571 -0.403) 2.606 ======================= Grid point 236 (126/128) ======================= q-point: (-0.29 -0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -11.386 -0.000 6.866) 13.296 1.972 ( -4.063 -0.000 7.067) 8.152 2.244 ( -1.541 -0.000 -8.803) 8.937 2.299 ( -8.243 -0.000 1.868) 8.452 2.412 ( -3.039 -0.000 0.409) 3.066 2.413 ( -13.653 -0.000 -5.570) 14.745 2.745 ( -2.239 -0.000 -4.072) 4.647 2.870 ( -2.700 -0.000 2.412) 3.620 3.034 ( 2.425 0.000 8.041) 8.399 3.342 ( -0.601 -0.000 14.528) 14.540 3.445 ( 0.859 0.000 9.276) 9.316 3.636 ( -0.108 -0.000 -6.672) 6.673 3.974 ( 5.920 0.000 9.621) 11.297 4.088 ( -5.374 -0.000 -5.164) 7.453 4.162 ( 6.788 0.000 0.742) 6.828 4.315 ( -14.031 -0.000 -5.863) 15.206 5.182 ( -12.382 -0.000 2.041) 12.549 5.433 ( 14.512 0.000 -7.310) 16.249 5.466 ( 4.544 0.000 12.905) 13.682 5.751 ( 2.199 0.000 14.924) 15.085 5.772 ( 0.288 0.000 -15.953) 15.956 5.875 ( 14.708 0.000 1.953) 14.837 5.983 ( -3.006 -0.000 14.063) 14.381 6.417 ( 0.706 0.000 -16.244) 16.259 6.848 ( 3.559 0.000 -22.732) 23.009 7.150 ( 18.933 0.000 7.895) 20.514 7.347 ( -15.394 -0.000 2.357) 15.573 7.610 ( -6.347 -0.000 -1.638) 6.555 8.071 ( -5.101 -0.000 -7.859) 9.369 8.187 ( -4.468 -0.000 -4.578) 6.396 8.543 ( 2.840 0.000 2.663) 3.893 8.626 ( 10.732 0.000 2.479) 11.015 9.215 ( 1.263 0.000 -5.700) 5.838 9.257 ( -0.038 -0.000 8.622) 8.622 9.749 ( -8.453 -0.000 -8.131) 11.729 10.045 ( -0.864 -0.000 1.157) 1.444 10.660 ( 2.443 0.000 11.711) 11.964 11.043 ( 0.379 0.000 -4.782) 4.797 11.456 ( -1.081 -0.000 4.586) 4.711 11.599 ( 2.824 0.000 0.873) 2.955 11.728 ( 14.298 0.000 -2.070) 14.447 12.082 ( 7.434 0.000 10.491) 12.858 12.675 ( -10.277 -0.000 -12.569) 16.236 13.424 ( 2.415 0.000 2.548) 3.511 14.780 ( 0.982 0.000 10.309) 10.356 14.958 ( 2.625 0.000 -6.312) 6.836 15.534 ( -2.092 -0.000 -5.545) 5.926 15.580 ( -1.227 -0.000 0.764) 1.445 20.205 ( 0.987 0.000 -1.621) 1.898 20.445 ( -5.615 -0.000 -5.870) 8.123 20.530 ( -3.121 -0.000 7.439) 8.067 20.849 ( 12.464 0.000 12.715) 17.805 21.810 ( 5.389 0.000 -0.893) 5.463 22.138 ( 11.346 0.000 -4.285) 12.129 22.191 ( -14.628 -0.000 -13.832) 20.133 22.685 ( -3.551 -0.000 7.289) 8.108 23.394 ( -0.305 -0.000 -1.022) 1.067 23.559 ( 0.436 0.000 -1.162) 1.241 23.707 ( -1.902 -0.000 9.222) 9.416 23.774 ( -0.380 -0.000 -4.100) 4.118 ======================= Grid point 237 (127/128) ======================= q-point: (-0.14 -0.29 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 221 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -9.614 4.097 6.386) 12.247 1.991 ( -4.130 -7.217 7.705) 11.337 2.150 ( -6.959 2.228 -1.398) 7.439 2.226 ( -3.951 -2.446 -2.692) 5.370 2.273 ( -8.392 -4.887 -4.796) 10.831 2.369 ( -3.360 -1.458 -1.915) 4.133 2.667 ( -5.094 2.160 -3.544) 6.571 2.776 ( -7.838 -0.073 -3.912) 8.760 3.092 ( 5.105 4.437 10.203) 12.241 3.388 ( -0.099 3.787 1.937) 4.255 3.470 ( 0.842 -3.985 17.457) 17.926 3.602 ( -5.628 -2.571 -3.139) 6.938 4.005 ( -0.709 2.230 -3.620) 4.311 4.100 ( 4.314 0.190 5.114) 6.693 4.162 ( -4.481 -2.586 3.043) 6.002 4.305 ( 3.575 -5.211 0.801) 6.370 5.012 ( -10.382 1.432 0.510) 10.493 5.521 ( 8.708 7.372 -1.904) 11.568 5.574 ( 5.002 0.803 13.112) 14.057 5.764 ( 2.521 -2.285 -9.977) 10.541 5.840 ( 1.908 -2.765 10.452) 10.979 5.981 ( -4.040 -0.160 9.645) 10.458 6.031 ( 7.628 0.661 -6.234) 9.874 6.411 ( 4.476 -0.386 -9.835) 10.812 6.809 ( 2.418 2.887 -19.515) 19.875 7.147 ( -12.782 -4.136 1.899) 13.568 7.474 ( 12.334 1.563 1.087) 12.480 7.550 ( 6.052 -0.505 3.226) 6.877 7.950 ( -4.708 2.460 -6.999) 8.787 8.115 ( -7.577 -3.149 -7.117) 10.862 8.524 ( 3.607 5.485 1.618) 6.762 8.804 ( 5.983 -3.174 2.142) 7.103 9.225 ( 1.328 0.249 -0.744) 1.543 9.302 ( -0.460 -3.080 6.864) 7.538 9.603 ( -7.760 -0.300 -9.897) 12.580 10.013 ( -2.400 0.577 -1.971) 3.159 10.740 ( 4.333 1.438 15.234) 15.903 11.024 ( 0.415 1.332 -2.101) 2.522 11.363 ( -2.416 5.980 -3.898) 7.536 11.718 ( 8.248 -1.628 5.965) 10.308 11.934 ( 7.290 -3.582 -0.812) 8.163 12.242 ( 10.285 -1.036 10.351) 14.629 12.491 ( -8.778 0.958 -13.040) 15.748 13.431 ( -1.066 0.746 0.616) 1.440 14.825 ( 1.816 0.815 8.650) 8.876 14.994 ( 3.259 -1.843 -6.108) 7.165 15.462 ( -2.966 2.698 -3.062) 5.045 15.559 ( -2.981 -1.378 -1.578) 3.643 20.218 ( 0.803 0.133 -1.225) 1.471 20.350 ( -1.298 2.996 -0.929) 3.395 20.516 ( -6.854 -5.496 2.810) 9.224 21.096 ( 18.995 3.075 8.882) 21.193 21.707 ( -17.185 1.028 -8.044) 19.003 22.044 ( 7.417 5.337 -0.559) 9.155 22.354 ( 7.936 -8.678 -3.967) 12.411 22.624 ( -6.389 1.484 5.618) 8.636 23.381 ( 0.753 1.429 -1.174) 1.997 23.571 ( -3.675 -1.736 0.868) 4.156 23.654 ( 1.883 3.753 1.221) 4.373 23.807 ( -0.777 -3.418 0.987) 3.642 ======================= Grid point 244 (128/128) ======================= q-point: (-0.14 -0.14 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -6.452 -0.000 8.776) 10.893 1.815 ( -10.386 -0.000 7.592) 12.865 2.045 ( -9.503 -0.000 0.591) 9.521 2.081 ( -3.400 -0.000 -13.927) 14.336 2.213 ( -0.418 -0.000 1.752) 1.801 2.311 ( -2.587 -0.000 -3.631) 4.458 2.589 ( -6.164 -0.000 -2.973) 6.843 2.647 ( -7.552 -0.000 -6.177) 9.756 3.200 ( 0.166 0.000 7.287) 7.289 3.411 ( -5.369 -0.000 0.851) 5.436 3.486 ( 1.457 0.000 3.584) 3.869 3.512 ( -0.529 -0.000 15.277) 15.286 3.998 ( 0.091 0.000 -5.068) 5.069 4.091 ( -2.902 -0.000 6.936) 7.518 4.202 ( 4.912 0.000 8.621) 9.922 4.347 ( 5.149 0.000 0.149) 5.152 4.935 ( -3.741 -0.000 4.439) 5.805 5.605 ( -1.588 -0.000 -10.597) 10.715 5.667 ( 2.403 0.000 17.332) 17.497 5.831 ( 11.204 0.000 -11.825) 16.290 5.864 ( -0.960 -0.000 15.640) 15.669 5.954 ( -4.835 -0.000 12.283) 13.200 6.058 ( 2.437 0.000 -16.519) 16.698 6.473 ( 6.873 0.000 -8.408) 10.860 6.829 ( 4.647 0.000 -19.297) 19.849 6.943 ( -11.454 -0.000 5.436) 12.678 7.538 ( -0.043 -0.000 2.610) 2.611 7.762 ( 15.542 0.000 -4.254) 16.114 7.897 ( -1.927 -0.000 -4.787) 5.160 7.979 ( -5.031 -0.000 -2.544) 5.638 8.590 ( 2.008 0.000 -0.534) 2.078 8.867 ( 3.145 0.000 1.431) 3.455 9.237 ( -0.393 -0.000 1.035) 1.107 9.287 ( -1.275 -0.000 5.698) 5.839 9.476 ( -4.428 -0.000 -8.194) 9.314 9.954 ( -4.285 -0.000 -6.306) 7.624 10.877 ( 5.789 0.000 18.854) 19.723 11.043 ( 1.396 0.000 -0.057) 1.397 11.355 ( -2.987 -0.000 -2.200) 3.710 11.857 ( 9.896 0.000 4.879) 11.034 11.974 ( 1.129 0.000 -3.593) 3.766 12.307 ( -5.035 -0.000 -11.791) 12.821 12.481 ( 12.541 0.000 9.684) 15.844 13.396 ( -4.350 -0.000 -2.268) 4.906 14.888 ( 1.880 0.000 8.569) 8.772 15.011 ( 4.193 0.000 -7.254) 8.378 15.439 ( -2.412 -0.000 -4.046) 4.710 15.469 ( -6.557 -0.000 -0.127) 6.558 20.217 ( -0.065 -0.000 -2.419) 2.420 20.365 ( -8.392 -0.000 4.954) 9.746 20.421 ( 6.529 0.000 -1.566) 6.715 21.328 ( -10.640 -0.000 -8.631) 13.701 21.515 ( 11.149 0.000 7.693) 13.545 22.217 ( 8.718 0.000 2.458) 9.058 22.363 ( 3.659 0.000 -1.756) 4.059 22.550 ( -6.728 -0.000 2.810) 7.291 23.412 ( 2.223 0.000 -2.391) 3.265 23.508 ( -3.692 -0.000 1.390) 3.945 23.712 ( -0.945 -0.000 5.015) 5.104 23.761 ( 0.751 0.000 -2.808) 2.907 =================== 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 3/26460 10.0 435.130 494.336 442.894 0.000 147.435 -0.000 3/26460 20.0 103.066 110.293 119.892 0.000 29.881 -0.000 3/26460 30.0 51.569 50.159 57.871 0.000 14.360 -0.000 3/26460 40.0 33.276 30.637 37.068 0.000 8.871 -0.000 3/26460 50.0 24.063 21.496 27.020 0.000 6.199 -0.000 3/26460 60.0 18.606 16.321 21.154 0.000 4.668 -0.000 3/26460 70.0 15.059 13.049 17.337 0.000 3.696 -0.000 3/26460 80.0 12.599 10.820 14.672 0.000 3.037 -0.000 3/26460 90.0 10.810 9.219 12.716 0.000 2.566 -0.000 3/26460 100.0 9.458 8.021 11.223 0.000 2.216 -0.000 3/26460 110.0 8.406 7.095 10.049 0.000 1.948 -0.000 3/26460 120.0 7.565 6.360 9.103 0.000 1.737 -0.000 3/26460 130.0 6.879 5.763 8.324 0.000 1.568 -0.000 3/26460 140.0 6.310 5.269 7.671 0.000 1.429 -0.000 3/26460 150.0 5.830 4.854 7.116 0.000 1.313 -0.000 3/26460 160.0 5.420 4.501 6.638 0.000 1.215 -0.000 3/26460 170.0 5.066 4.196 6.222 0.000 1.131 -0.000 3/26460 180.0 4.758 3.931 5.857 0.000 1.058 -0.000 3/26460 190.0 4.486 3.698 5.533 0.000 0.995 -0.000 3/26460 200.0 4.245 3.492 5.244 0.000 0.939 -0.000 3/26460 210.0 4.030 3.308 4.984 0.000 0.889 -0.000 3/26460 220.0 3.837 3.143 4.749 0.000 0.844 -0.000 3/26460 230.0 3.662 2.994 4.536 0.000 0.804 -0.000 3/26460 240.0 3.503 2.859 4.342 0.000 0.768 -0.000 3/26460 250.0 3.358 2.736 4.164 0.000 0.735 -0.000 3/26460 260.0 3.225 2.623 4.001 0.000 0.704 -0.000 3/26460 270.0 3.103 2.520 3.850 0.000 0.677 -0.000 3/26460 280.0 2.990 2.424 3.710 0.000 0.651 -0.000 3/26460 290.0 2.885 2.336 3.580 0.000 0.628 -0.000 3/26460 300.0 2.788 2.254 3.459 0.000 0.606 -0.000 3/26460 310.0 2.697 2.178 3.346 0.000 0.585 -0.000 3/26460 320.0 2.613 2.106 3.241 0.000 0.567 -0.000 3/26460 330.0 2.533 2.040 3.142 0.000 0.549 -0.000 3/26460 340.0 2.459 1.977 3.049 0.000 0.532 -0.000 3/26460 350.0 2.388 1.919 2.961 0.000 0.517 -0.000 3/26460 360.0 2.322 1.864 2.879 0.000 0.502 -0.000 3/26460 370.0 2.260 1.812 2.801 0.000 0.488 -0.000 3/26460 380.0 2.200 1.762 2.727 0.000 0.475 -0.000 3/26460 390.0 2.144 1.716 2.657 0.000 0.463 -0.000 3/26460 400.0 2.091 1.672 2.590 0.000 0.451 -0.000 3/26460 410.0 2.041 1.630 2.527 0.000 0.440 -0.000 3/26460 420.0 1.992 1.590 2.467 0.000 0.429 -0.000 3/26460 430.0 1.947 1.552 2.409 0.000 0.419 -0.000 3/26460 440.0 1.903 1.516 2.355 0.000 0.409 -0.000 3/26460 450.0 1.861 1.482 2.302 0.000 0.400 -0.000 3/26460 460.0 1.821 1.449 2.252 0.000 0.391 -0.000 3/26460 470.0 1.783 1.418 2.205 0.000 0.383 -0.000 3/26460 480.0 1.746 1.388 2.159 0.000 0.375 -0.000 3/26460 490.0 1.711 1.359 2.115 0.000 0.367 -0.000 3/26460 500.0 1.677 1.331 2.073 0.000 0.360 -0.000 3/26460 510.0 1.644 1.305 2.032 0.000 0.353 -0.000 3/26460 520.0 1.613 1.279 1.993 0.000 0.346 -0.000 3/26460 530.0 1.583 1.255 1.956 0.000 0.339 -0.000 3/26460 540.0 1.554 1.231 1.920 0.000 0.333 -0.000 3/26460 550.0 1.526 1.209 1.885 0.000 0.327 -0.000 3/26460 560.0 1.499 1.187 1.851 0.000 0.321 -0.000 3/26460 570.0 1.473 1.166 1.819 0.000 0.316 -0.000 3/26460 580.0 1.448 1.145 1.788 0.000 0.310 -0.000 3/26460 590.0 1.424 1.126 1.757 0.000 0.305 -0.000 3/26460 600.0 1.400 1.107 1.728 0.000 0.300 -0.000 3/26460 610.0 1.378 1.088 1.700 0.000 0.295 -0.000 3/26460 620.0 1.356 1.071 1.673 0.000 0.290 -0.000 3/26460 630.0 1.335 1.054 1.646 0.000 0.286 -0.000 3/26460 640.0 1.314 1.037 1.621 0.000 0.281 -0.000 3/26460 650.0 1.294 1.021 1.596 0.000 0.277 -0.000 3/26460 660.0 1.275 1.005 1.572 0.000 0.273 -0.000 3/26460 670.0 1.256 0.990 1.548 0.000 0.268 -0.000 3/26460 680.0 1.238 0.976 1.526 0.000 0.265 -0.000 3/26460 690.0 1.220 0.961 1.504 0.000 0.261 -0.000 3/26460 700.0 1.203 0.947 1.482 0.000 0.257 -0.000 3/26460 710.0 1.186 0.934 1.461 0.000 0.253 -0.000 3/26460 720.0 1.170 0.921 1.441 0.000 0.250 -0.000 3/26460 730.0 1.154 0.908 1.422 0.000 0.246 -0.000 3/26460 740.0 1.138 0.896 1.402 0.000 0.243 -0.000 3/26460 750.0 1.123 0.884 1.384 0.000 0.240 -0.000 3/26460 760.0 1.109 0.872 1.366 0.000 0.237 -0.000 3/26460 770.0 1.094 0.861 1.348 0.000 0.234 -0.000 3/26460 780.0 1.080 0.850 1.331 0.000 0.231 -0.000 3/26460 790.0 1.067 0.839 1.314 0.000 0.228 -0.000 3/26460 800.0 1.054 0.828 1.298 0.000 0.225 -0.000 3/26460 810.0 1.041 0.818 1.282 0.000 0.222 -0.000 3/26460 820.0 1.028 0.808 1.266 0.000 0.219 -0.000 3/26460 830.0 1.016 0.798 1.251 0.000 0.217 -0.000 3/26460 840.0 1.004 0.789 1.236 0.000 0.214 -0.000 3/26460 850.0 0.992 0.779 1.222 0.000 0.212 -0.000 3/26460 860.0 0.981 0.770 1.207 0.000 0.209 -0.000 3/26460 870.0 0.970 0.762 1.194 0.000 0.207 -0.000 3/26460 880.0 0.959 0.753 1.180 0.000 0.205 -0.000 3/26460 890.0 0.948 0.744 1.167 0.000 0.202 -0.000 3/26460 900.0 0.938 0.736 1.154 0.000 0.200 -0.000 3/26460 910.0 0.927 0.728 1.141 0.000 0.198 -0.000 3/26460 920.0 0.917 0.720 1.129 0.000 0.196 -0.000 3/26460 930.0 0.908 0.712 1.117 0.000 0.194 -0.000 3/26460 940.0 0.898 0.705 1.105 0.000 0.191 -0.000 3/26460 950.0 0.889 0.697 1.093 0.000 0.189 -0.000 3/26460 960.0 0.879 0.690 1.082 0.000 0.188 -0.000 3/26460 970.0 0.870 0.683 1.071 0.000 0.186 -0.000 3/26460 980.0 0.862 0.676 1.060 0.000 0.184 -0.000 3/26460 990.0 0.853 0.669 1.049 0.000 0.182 -0.000 3/26460 1000.0 0.845 0.662 1.039 0.000 0.180 -0.000 3/26460 Thermal conductivity related properties were written into "kappa-m779.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:21:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|