# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/b821a30a-1246-4ce9-948b-a0e6495fd585/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Ca2Sb2O7 / Imma (74) / materials id 16280](https://mdr.nims.go.jp/datasets/b05b2729-949c-4636-b00a-197c3e1f25fb) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 01:59:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 1 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: Imma (74)Number of symmetry operations in supercell: 32------------------------------ primitive cell ------------------------------Lattice vectors: a -3.664914530000000 5.116810965000000 3.734656135000001 b 3.664914530000000 -5.116810965000000 3.734656135000001 c 3.664914530000000 5.116810965000000 -3.734656135000001Atomic positions (fractional): *1 O 0.05731893364344 0.15020290136041 0.32906912740467 15.999 2 O 0.94268106635656 0.27175019376123 0.09288396771697 15.999 3 O 0.32113377395574 0.72824980623877 0.17093087259533 15.999 4 O 0.67886622604426 0.84979709863959 0.40711603228303 15.999 5 O 0.94268106635656 0.84979709863959 0.67093087259533 15.999 6 O 0.05731893364344 0.72824980623877 0.90711603228303 15.999 7 O 0.67886622604426 0.27175019376123 0.82906912740467 15.999 8 O 0.32113377395574 0.15020290136041 0.59288396771697 15.999 *9 O 0.90007782344934 0.65007782344934 0.25000000000000 15.999 10 O 0.09992217655066 0.34992217655066 0.75000000000000 15.999 *11 O 0.32487518758285 0.23030203872297 0.09457314885988 15.999 12 O 0.67512481241715 0.76969796127703 0.90542685114012 15.999 13 O 0.63572888986309 0.23030203872297 0.40542685114012 15.999 14 O 0.36427111013691 0.76969796127703 0.59457314885988 15.999 *15 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 16 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 *17 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 18 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 *19 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 20 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 *21 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 22 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.329829060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.233621930000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.469312270000001Atomic positions (fractional): *1 O 0.21097654756082 0.11809257984385 0.93922635379959 15.999 > 1 2 O 0.71097654756082 0.38190742015615 0.56077364620041 15.999 > 2 3 O 0.28902345243918 0.88190742015615 0.43922635379959 15.999 > 3 4 O 0.28902345243918 0.11809257984385 0.56077364620041 15.999 > 4 5 O 0.28902345243918 0.38190742015615 0.56077364620041 15.999 > 5 6 O 0.78902345243918 0.11809257984385 0.93922635379959 15.999 > 6 7 O 0.21097654756082 0.61809257984385 0.06077364620041 15.999 > 7 8 O 0.21097654756082 0.38190742015615 0.93922635379959 15.999 > 8 *9 O 0.00000000000000 0.25000000000000 0.65007782344934 15.999 > 9 10 O 0.50000000000000 0.25000000000000 0.84992217655066 15.999 > 10 *11 O 0.00000000000000 0.09457314885988 0.23030203872297 15.999 > 11 12 O 0.50000000000000 0.40542685114012 0.26969796127703 15.999 > 12 13 O 0.50000000000000 0.90542685114012 0.73030203872297 15.999 > 13 14 O 0.00000000000000 0.59457314885988 0.76969796127703 15.999 > 14 15 O 0.71097654756082 0.61809257984385 0.43922635379959 15.999 > 1 16 O 0.21097654756082 0.88190742015615 0.06077364620041 15.999 > 2 17 O 0.78902345243918 0.38190742015615 0.93922635379959 15.999 > 3 18 O 0.78902345243918 0.61809257984385 0.06077364620041 15.999 > 4 19 O 0.78902345243918 0.88190742015615 0.06077364620041 15.999 > 5 20 O 0.28902345243918 0.61809257984385 0.43922635379959 15.999 > 6 21 O 0.71097654756082 0.11809257984385 0.56077364620041 15.999 > 7 22 O 0.71097654756082 0.88190742015615 0.43922635379959 15.999 > 8 23 O 0.50000000000000 0.75000000000000 0.15007782344934 15.999 > 9 24 O 0.00000000000000 0.75000000000000 0.34992217655066 15.999 > 10 25 O 0.50000000000000 0.59457314885988 0.73030203872297 15.999 > 11 26 O 0.00000000000000 0.90542685114012 0.76969796127703 15.999 > 12 27 O 0.00000000000000 0.40542685114012 0.23030203872297 15.999 > 13 28 O 0.50000000000000 0.09457314885988 0.26969796127703 15.999 > 14 *29 Ca 0.25000000000000 0.25000000000000 0.25000000000000 40.078 > 15 30 Ca 0.25000000000000 0.75000000000000 0.75000000000000 40.078 > 16 *31 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 17 32 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 > 18 33 Ca 0.75000000000000 0.75000000000000 0.75000000000000 40.078 > 15 34 Ca 0.75000000000000 0.25000000000000 0.25000000000000 40.078 > 16 35 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 > 17 36 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 18 *37 Sb 0.25000000000000 0.25000000000000 0.75000000000000 121.760 > 19 38 Sb 0.75000000000000 0.25000000000000 0.75000000000000 121.760 > 20 *39 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 21 40 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 22 41 Sb 0.75000000000000 0.75000000000000 0.25000000000000 121.760 > 19 42 Sb 0.25000000000000 0.75000000000000 0.25000000000000 121.760 > 20 43 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 21 44 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 22-------------------------------- super cell --------------------------------Lattice vectors: a 14.659658120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.233621930000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.469312270000001Atomic positions (fractional): *1 O 0.10548827378041 0.11809257984385 0.93922635379959 15.999 > 1 2 O 0.60548827378041 0.11809257984385 0.93922635379959 15.999 > 1 3 O 0.35548827378041 0.38190742015615 0.56077364620041 15.999 > 2 4 O 0.85548827378041 0.38190742015615 0.56077364620041 15.999 > 2 5 O 0.14451172621959 0.88190742015615 0.43922635379959 15.999 > 3 6 O 0.64451172621959 0.88190742015615 0.43922635379959 15.999 > 3 7 O 0.14451172621959 0.11809257984385 0.56077364620041 15.999 > 4 8 O 0.64451172621959 0.11809257984385 0.56077364620041 15.999 > 4 9 O 0.14451172621959 0.38190742015615 0.56077364620041 15.999 > 5 10 O 0.64451172621959 0.38190742015615 0.56077364620041 15.999 > 5 11 O 0.39451172621959 0.11809257984385 0.93922635379959 15.999 > 6 12 O 0.89451172621959 0.11809257984385 0.93922635379959 15.999 > 6 13 O 0.10548827378041 0.61809257984385 0.06077364620041 15.999 > 7 14 O 0.60548827378041 0.61809257984385 0.06077364620041 15.999 > 7 15 O 0.10548827378041 0.38190742015615 0.93922635379959 15.999 > 8 16 O 0.60548827378041 0.38190742015615 0.93922635379959 15.999 > 8 *17 O 0.00000000000000 0.25000000000000 0.65007782344934 15.999 > 9 18 O 0.50000000000000 0.25000000000000 0.65007782344934 15.999 > 9 19 O 0.25000000000000 0.25000000000000 0.84992217655066 15.999 > 10 20 O 0.75000000000000 0.25000000000000 0.84992217655066 15.999 > 10 *21 O 0.00000000000000 0.09457314885988 0.23030203872297 15.999 > 11 22 O 0.50000000000000 0.09457314885988 0.23030203872297 15.999 > 11 23 O 0.25000000000000 0.40542685114012 0.26969796127703 15.999 > 12 24 O 0.75000000000000 0.40542685114012 0.26969796127703 15.999 > 12 25 O 0.25000000000000 0.90542685114012 0.73030203872297 15.999 > 13 26 O 0.75000000000000 0.90542685114012 0.73030203872297 15.999 > 13 27 O 0.00000000000000 0.59457314885988 0.76969796127703 15.999 > 14 28 O 0.50000000000000 0.59457314885988 0.76969796127703 15.999 > 14 29 O 0.35548827378041 0.61809257984385 0.43922635379959 15.999 > 1 30 O 0.85548827378041 0.61809257984385 0.43922635379959 15.999 > 1 31 O 0.10548827378041 0.88190742015615 0.06077364620041 15.999 > 2 32 O 0.60548827378041 0.88190742015615 0.06077364620041 15.999 > 2 33 O 0.39451172621959 0.38190742015615 0.93922635379959 15.999 > 3 34 O 0.89451172621959 0.38190742015615 0.93922635379959 15.999 > 3 35 O 0.39451172621959 0.61809257984385 0.06077364620041 15.999 > 4 36 O 0.89451172621959 0.61809257984385 0.06077364620041 15.999 > 4 37 O 0.39451172621959 0.88190742015615 0.06077364620041 15.999 > 5 38 O 0.89451172621959 0.88190742015615 0.06077364620041 15.999 > 5 39 O 0.14451172621959 0.61809257984385 0.43922635379959 15.999 > 6 40 O 0.64451172621959 0.61809257984385 0.43922635379959 15.999 > 6 41 O 0.35548827378041 0.11809257984385 0.56077364620041 15.999 > 7 42 O 0.85548827378041 0.11809257984385 0.56077364620041 15.999 > 7 43 O 0.35548827378041 0.88190742015615 0.43922635379959 15.999 > 8 44 O 0.85548827378041 0.88190742015615 0.43922635379959 15.999 > 8 45 O 0.25000000000000 0.75000000000000 0.15007782344934 15.999 > 9 46 O 0.75000000000000 0.75000000000000 0.15007782344934 15.999 > 9 47 O 0.00000000000000 0.75000000000000 0.34992217655066 15.999 > 10 48 O 0.50000000000000 0.75000000000000 0.34992217655066 15.999 > 10 49 O 0.25000000000000 0.59457314885988 0.73030203872297 15.999 > 11 50 O 0.75000000000000 0.59457314885988 0.73030203872297 15.999 > 11 51 O 0.00000000000000 0.90542685114012 0.76969796127703 15.999 > 12 52 O 0.50000000000000 0.90542685114012 0.76969796127703 15.999 > 12 53 O 0.00000000000000 0.40542685114012 0.23030203872297 15.999 > 13 54 O 0.50000000000000 0.40542685114012 0.23030203872297 15.999 > 13 55 O 0.25000000000000 0.09457314885988 0.26969796127703 15.999 > 14 56 O 0.75000000000000 0.09457314885988 0.26969796127703 15.999 > 14 *57 Ca 0.12500000000000 0.25000000000000 0.25000000000000 40.078 > 15 58 Ca 0.62500000000000 0.25000000000000 0.25000000000000 40.078 > 15 59 Ca 0.12500000000000 0.75000000000000 0.75000000000000 40.078 > 16 60 Ca 0.62500000000000 0.75000000000000 0.75000000000000 40.078 > 16 *61 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 17 62 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 17 63 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 18 64 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 18 65 Ca 0.37500000000000 0.75000000000000 0.75000000000000 40.078 > 15 66 Ca 0.87500000000000 0.75000000000000 0.75000000000000 40.078 > 15 67 Ca 0.37500000000000 0.25000000000000 0.25000000000000 40.078 > 16 68 Ca 0.87500000000000 0.25000000000000 0.25000000000000 40.078 > 16 69 Ca 0.25000000000000 0.50000000000000 0.00000000000000 40.078 > 17 70 Ca 0.75000000000000 0.50000000000000 0.00000000000000 40.078 > 17 71 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 18 72 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 18 *73 Sb 0.12500000000000 0.25000000000000 0.75000000000000 121.760 > 19 74 Sb 0.62500000000000 0.25000000000000 0.75000000000000 121.760 > 19 75 Sb 0.37500000000000 0.25000000000000 0.75000000000000 121.760 > 20 76 Sb 0.87500000000000 0.25000000000000 0.75000000000000 121.760 > 20 *77 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 21 78 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 21 79 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 22 80 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 22 81 Sb 0.37500000000000 0.75000000000000 0.25000000000000 121.760 > 19 82 Sb 0.87500000000000 0.75000000000000 0.25000000000000 121.760 > 19 83 Sb 0.12500000000000 0.75000000000000 0.25000000000000 121.760 > 20 84 Sb 0.62500000000000 0.75000000000000 0.25000000000000 121.760 > 20 85 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 21 86 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 21 87 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 22 88 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 22----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.0575950 0.0000000 0.0000000 0.0000000 4.0196286 0.0000000 0.0000000 0.0000000 3.9533748-------------------------- Born effective charges -------------------------- 1 O -2.0875233 -0.4638739 0.2404177 -0.5194319 -2.2682737 0.5637302 0.2456171 0.5792320 -1.9332306 2 O -2.0875233 0.4638739 -0.2404177 0.5194319 -2.2682737 0.5637302 -0.2456171 0.5792320 -1.9332306 3 O -2.0875233 -0.4638739 -0.2404177 -0.5194319 -2.2682737 -0.5637302 -0.2456171 -0.5792320 -1.9332306 4 O -2.0875233 0.4638739 0.2404177 0.5194319 -2.2682737 -0.5637302 0.2456171 -0.5792320 -1.9332306 5 O -2.0875233 -0.4638739 0.2404177 -0.5194319 -2.2682737 0.5637302 0.2456171 0.5792320 -1.9332306 6 O -2.0875233 0.4638739 -0.2404177 0.5194319 -2.2682737 0.5637302 -0.2456171 0.5792320 -1.9332306 7 O -2.0875233 -0.4638739 -0.2404177 -0.5194319 -2.2682737 -0.5637302 -0.2456171 -0.5792320 -1.9332306 8 O -2.0875233 0.4638739 0.2404177 0.5194319 -2.2682737 -0.5637302 0.2456171 -0.5792320 -1.9332306 9 O -3.2058795 0.0000000 0.0000000 0.0000000 -1.6419579 0.0000000 0.0000000 0.0000000 -1.6068898 10 O -3.2058795 0.0000000 0.0000000 0.0000000 -1.6419579 0.0000000 0.0000000 0.0000000 -1.6068898 11 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 -0.1877289 0.0000000 -0.1696197 -2.4848854 12 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 -0.1877289 0.0000000 -0.1696197 -2.4848854 13 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 0.1877289 0.0000000 0.1696197 -2.4848854 14 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 0.1877289 0.0000000 0.1696197 -2.4848854 15 Ca 2.4553244 0.0000000 0.3224721 0.0000000 2.6342356 0.0000000 0.5081309 0.0000000 2.5022049 16 Ca 2.4553244 0.0000000 -0.3224721 0.0000000 2.6342356 0.0000000 -0.5081309 0.0000000 2.5022049 17 Ca 2.6379188 0.0000000 0.0000000 0.0000000 2.1918459 0.0802572 0.0000000 -0.0670887 2.8038413 18 Ca 2.6379188 0.0000000 0.0000000 0.0000000 2.1918459 -0.0802572 0.0000000 0.0670887 2.8038413 19 Sb 5.1220306 0.0000000 -0.3913904 0.0000000 4.8903643 0.0000000 -0.1026406 0.0000000 4.6387528 20 Sb 5.1220306 0.0000000 0.3913904 0.0000000 4.8903643 0.0000000 0.1026406 0.0000000 4.6387528 21 Sb 4.8959369 0.0000000 0.0000000 0.0000000 4.9989264 -0.0605821 0.0000000 -0.5730310 4.3647839 22 Sb 4.8959369 0.0000000 0.0000000 0.0000000 4.9989264 0.0605821 0.0000000 0.5730310 4.3647839----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 264/264Permutation basis: 10830/10830Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1252Number of blocks in projector: 1252Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 260Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 238Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 196Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 186Use standard eigh solver.Tree of FC basis block matrices:- (1252, 1215), data: False|-- (186, 179), data: True|-- (186, 179), data: True|-- (186, 179), data: True|-- (196, 194), data: True|-- (238, 232), data: True|-- (260, 252), data: True-----Solver_atoms: 1 -- 88 / 88Time (Solver_compr_matrix_reshape): 0.002Solver_block: 100 / 400 - Time: 1.157Solver_block: 200 / 400 - Time: 1.165Solver_block: 300 / 400 - Time: 1.163Solver_block: 400 / 400 - Time: 1.167Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.677--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 264/264Permutation basis: 10830/10830Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 1252Number of blocks in projector: 1252Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 260Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 238Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 196Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 186Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 186Use standard eigh solver.Tree of FC basis block matrices:- (1252, 1215), data: False|-- (186, 179), data: True|-- (186, 179), data: True|-- (186, 179), data: True|-- (196, 194), data: True|-- (238, 232), data: True|-- (260, 252), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 02:00:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 02:00:08]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 1 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: Imma (74)------------------------------ primitive cell ------------------------------Lattice vectors: a -3.664914530000000 5.116810965000000 3.734656135000001 b 3.664914530000000 -5.116810965000000 3.734656135000001 c 3.664914530000000 5.116810965000000 -3.734656135000001Atomic positions (fractional): 1 O 0.05731893364344 0.15020290136041 0.32906912740467 15.999 2 O 0.94268106635656 0.27175019376123 0.09288396771697 15.999 3 O 0.32113377395574 0.72824980623877 0.17093087259533 15.999 4 O 0.67886622604426 0.84979709863959 0.40711603228303 15.999 5 O 0.94268106635656 0.84979709863959 0.67093087259533 15.999 6 O 0.05731893364344 0.72824980623877 0.90711603228303 15.999 7 O 0.67886622604426 0.27175019376123 0.82906912740467 15.999 8 O 0.32113377395574 0.15020290136041 0.59288396771697 15.999 9 O 0.90007782344934 0.65007782344934 0.25000000000000 15.999 10 O 0.09992217655066 0.34992217655066 0.75000000000000 15.999 11 O 0.32487518758285 0.23030203872297 0.09457314885988 15.999 12 O 0.67512481241715 0.76969796127703 0.90542685114012 15.999 13 O 0.63572888986309 0.23030203872297 0.40542685114012 15.999 14 O 0.36427111013691 0.76969796127703 0.59457314885988 15.999 15 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 16 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 17 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 18 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 19 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 20 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 21 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 22 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760-------------------------------- supercell ---------------------------------Lattice vectors: a 14.659658120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.233621930000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.469312270000001Atomic positions (fractional): 1 O 0.10548827378041 0.11809257984385 0.93922635379959 15.999 > 1 2 O 0.60548827378041 0.11809257984385 0.93922635379959 15.999 > 1 3 O 0.35548827378041 0.38190742015615 0.56077364620041 15.999 > 3 4 O 0.85548827378041 0.38190742015615 0.56077364620041 15.999 > 3 5 O 0.14451172621959 0.88190742015615 0.43922635379959 15.999 > 5 6 O 0.64451172621959 0.88190742015615 0.43922635379959 15.999 > 5 7 O 0.14451172621959 0.11809257984385 0.56077364620041 15.999 > 7 8 O 0.64451172621959 0.11809257984385 0.56077364620041 15.999 > 7 9 O 0.14451172621959 0.38190742015615 0.56077364620041 15.999 > 9 10 O 0.64451172621959 0.38190742015615 0.56077364620041 15.999 > 9 11 O 0.39451172621959 0.11809257984385 0.93922635379959 15.999 > 11 12 O 0.89451172621959 0.11809257984385 0.93922635379959 15.999 > 11 13 O 0.10548827378041 0.61809257984385 0.06077364620041 15.999 > 13 14 O 0.60548827378041 0.61809257984385 0.06077364620041 15.999 > 13 15 O 0.10548827378041 0.38190742015615 0.93922635379959 15.999 > 15 16 O 0.60548827378041 0.38190742015615 0.93922635379959 15.999 > 15 17 O 0.00000000000000 0.25000000000000 0.65007782344934 15.999 > 17 18 O 0.50000000000000 0.25000000000000 0.65007782344934 15.999 > 17 19 O 0.25000000000000 0.25000000000000 0.84992217655066 15.999 > 19 20 O 0.75000000000000 0.25000000000000 0.84992217655066 15.999 > 19 21 O 0.00000000000000 0.09457314885988 0.23030203872297 15.999 > 21 22 O 0.50000000000000 0.09457314885988 0.23030203872297 15.999 > 21 23 O 0.25000000000000 0.40542685114012 0.26969796127703 15.999 > 23 24 O 0.75000000000000 0.40542685114012 0.26969796127703 15.999 > 23 25 O 0.25000000000000 0.90542685114012 0.73030203872297 15.999 > 25 26 O 0.75000000000000 0.90542685114012 0.73030203872297 15.999 > 25 27 O 0.00000000000000 0.59457314885988 0.76969796127703 15.999 > 27 28 O 0.50000000000000 0.59457314885988 0.76969796127703 15.999 > 27 29 O 0.35548827378041 0.61809257984385 0.43922635379959 15.999 > 1 30 O 0.85548827378041 0.61809257984385 0.43922635379959 15.999 > 1 31 O 0.10548827378041 0.88190742015615 0.06077364620041 15.999 > 3 32 O 0.60548827378041 0.88190742015615 0.06077364620041 15.999 > 3 33 O 0.39451172621959 0.38190742015615 0.93922635379959 15.999 > 5 34 O 0.89451172621959 0.38190742015615 0.93922635379959 15.999 > 5 35 O 0.39451172621959 0.61809257984385 0.06077364620041 15.999 > 7 36 O 0.89451172621959 0.61809257984385 0.06077364620041 15.999 > 7 37 O 0.39451172621959 0.88190742015615 0.06077364620041 15.999 > 9 38 O 0.89451172621959 0.88190742015615 0.06077364620041 15.999 > 9 39 O 0.14451172621959 0.61809257984385 0.43922635379959 15.999 > 11 40 O 0.64451172621959 0.61809257984385 0.43922635379959 15.999 > 11 41 O 0.35548827378041 0.11809257984385 0.56077364620041 15.999 > 13 42 O 0.85548827378041 0.11809257984385 0.56077364620041 15.999 > 13 43 O 0.35548827378041 0.88190742015615 0.43922635379959 15.999 > 15 44 O 0.85548827378041 0.88190742015615 0.43922635379959 15.999 > 15 45 O 0.25000000000000 0.75000000000000 0.15007782344934 15.999 > 17 46 O 0.75000000000000 0.75000000000000 0.15007782344934 15.999 > 17 47 O 0.00000000000000 0.75000000000000 0.34992217655066 15.999 > 19 48 O 0.50000000000000 0.75000000000000 0.34992217655066 15.999 > 19 49 O 0.25000000000000 0.59457314885988 0.73030203872297 15.999 > 21 50 O 0.75000000000000 0.59457314885988 0.73030203872297 15.999 > 21 51 O 0.00000000000000 0.90542685114012 0.76969796127703 15.999 > 23 52 O 0.50000000000000 0.90542685114012 0.76969796127703 15.999 > 23 53 O 0.00000000000000 0.40542685114012 0.23030203872297 15.999 > 25 54 O 0.50000000000000 0.40542685114012 0.23030203872297 15.999 > 25 55 O 0.25000000000000 0.09457314885988 0.26969796127703 15.999 > 27 56 O 0.75000000000000 0.09457314885988 0.26969796127703 15.999 > 27 57 Ca 0.12500000000000 0.25000000000000 0.25000000000000 40.078 > 57 58 Ca 0.62500000000000 0.25000000000000 0.25000000000000 40.078 > 57 59 Ca 0.12500000000000 0.75000000000000 0.75000000000000 40.078 > 59 60 Ca 0.62500000000000 0.75000000000000 0.75000000000000 40.078 > 59 61 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 61 62 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 61 63 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 63 64 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 63 65 Ca 0.37500000000000 0.75000000000000 0.75000000000000 40.078 > 57 66 Ca 0.87500000000000 0.75000000000000 0.75000000000000 40.078 > 57 67 Ca 0.37500000000000 0.25000000000000 0.25000000000000 40.078 > 59 68 Ca 0.87500000000000 0.25000000000000 0.25000000000000 40.078 > 59 69 Ca 0.25000000000000 0.50000000000000 0.00000000000000 40.078 > 61 70 Ca 0.75000000000000 0.50000000000000 0.00000000000000 40.078 > 61 71 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 63 72 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 63 73 Sb 0.12500000000000 0.25000000000000 0.75000000000000 121.760 > 73 74 Sb 0.62500000000000 0.25000000000000 0.75000000000000 121.760 > 73 75 Sb 0.37500000000000 0.25000000000000 0.75000000000000 121.760 > 75 76 Sb 0.87500000000000 0.25000000000000 0.75000000000000 121.760 > 75 77 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 77 78 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 77 79 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 79 80 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 79 81 Sb 0.37500000000000 0.75000000000000 0.25000000000000 121.760 > 73 82 Sb 0.87500000000000 0.75000000000000 0.25000000000000 121.760 > 73 83 Sb 0.12500000000000 0.75000000000000 0.25000000000000 121.760 > 75 84 Sb 0.62500000000000 0.75000000000000 0.25000000000000 121.760 > 75 85 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 77 86 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 77 87 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 79 88 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.0575950 0.0000000 0.0000000 0.0000000 4.0196286 0.0000000 0.0000000 0.0000000 3.9533748-------------------------- Born effective charges -------------------------- 1 O -2.0875233 -0.4638739 0.2404177 -0.5194319 -2.2682737 0.5637302 0.2456171 0.5792320 -1.9332306 2 O -2.0875233 0.4638739 -0.2404177 0.5194319 -2.2682737 0.5637302 -0.2456171 0.5792320 -1.9332306 3 O -2.0875233 -0.4638739 -0.2404177 -0.5194319 -2.2682737 -0.5637302 -0.2456171 -0.5792320 -1.9332306 4 O -2.0875233 0.4638739 0.2404177 0.5194319 -2.2682737 -0.5637302 0.2456171 -0.5792320 -1.9332306 5 O -2.0875233 -0.4638739 0.2404177 -0.5194319 -2.2682737 0.5637302 0.2456171 0.5792320 -1.9332306 6 O -2.0875233 0.4638739 -0.2404177 0.5194319 -2.2682737 0.5637302 -0.2456171 0.5792320 -1.9332306 7 O -2.0875233 -0.4638739 -0.2404177 -0.5194319 -2.2682737 -0.5637302 -0.2456171 -0.5792320 -1.9332306 8 O -2.0875233 0.4638739 0.2404177 0.5194319 -2.2682737 -0.5637302 0.2456171 -0.5792320 -1.9332306 9 O -3.2058795 0.0000000 0.0000000 0.0000000 -1.6419579 0.0000000 0.0000000 0.0000000 -1.6068898 10 O -3.2058795 0.0000000 0.0000000 0.0000000 -1.6419579 0.0000000 0.0000000 0.0000000 -1.6068898 11 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 -0.1877289 0.0000000 -0.1696197 -2.4848854 12 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 -0.1877289 0.0000000 -0.1696197 -2.4848854 13 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 0.1877289 0.0000000 0.1696197 -2.4848854 14 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 0.1877289 0.0000000 0.1696197 -2.4848854 15 Ca 2.4553244 0.0000000 0.3224721 0.0000000 2.6342356 0.0000000 0.5081309 0.0000000 2.5022049 16 Ca 2.4553244 0.0000000 -0.3224721 0.0000000 2.6342356 0.0000000 -0.5081309 0.0000000 2.5022049 17 Ca 2.6379188 0.0000000 0.0000000 0.0000000 2.1918459 0.0802572 0.0000000 -0.0670887 2.8038413 18 Ca 2.6379188 0.0000000 0.0000000 0.0000000 2.1918459 -0.0802572 0.0000000 0.0670887 2.8038413 19 Sb 5.1220306 0.0000000 -0.3913904 0.0000000 4.8903643 0.0000000 -0.1026406 0.0000000 4.6387528 20 Sb 5.1220306 0.0000000 0.3913904 0.0000000 4.8903643 0.0000000 0.1026406 0.0000000 4.6387528 21 Sb 4.8959369 0.0000000 0.0000000 0.0000000 4.9989264 -0.0605821 0.0000000 -0.5730310 4.3647839 22 Sb 4.8959369 0.0000000 0.0000000 0.0000000 4.9989264 0.0605821 0.0000000 0.5730310 4.3647839----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 21, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 57, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 61, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 77, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yyx) -0.00000000 (yyx) -0.00000000 (yxy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 02:00:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 02:00:22]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 1 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: Imma (74)------------------------------ primitive cell ------------------------------Lattice vectors: a -3.664914530000000 5.116810965000000 3.734656135000001 b 3.664914530000000 -5.116810965000000 3.734656135000001 c 3.664914530000000 5.116810965000000 -3.734656135000001Atomic positions (fractional): 1 O 0.05731893364344 0.15020290136041 0.32906912740467 15.999 2 O 0.94268106635656 0.27175019376123 0.09288396771697 15.999 3 O 0.32113377395574 0.72824980623877 0.17093087259533 15.999 4 O 0.67886622604426 0.84979709863959 0.40711603228303 15.999 5 O 0.94268106635656 0.84979709863959 0.67093087259533 15.999 6 O 0.05731893364344 0.72824980623877 0.90711603228303 15.999 7 O 0.67886622604426 0.27175019376123 0.82906912740467 15.999 8 O 0.32113377395574 0.15020290136041 0.59288396771697 15.999 9 O 0.90007782344934 0.65007782344934 0.25000000000000 15.999 10 O 0.09992217655066 0.34992217655066 0.75000000000000 15.999 11 O 0.32487518758285 0.23030203872297 0.09457314885988 15.999 12 O 0.67512481241715 0.76969796127703 0.90542685114012 15.999 13 O 0.63572888986309 0.23030203872297 0.40542685114012 15.999 14 O 0.36427111013691 0.76969796127703 0.59457314885988 15.999 15 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 16 Ca 0.50000000000000 0.00000000000000 0.00000000000000 40.078 17 Ca 0.50000000000000 0.50000000000000 0.00000000000000 40.078 18 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 19 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 20 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 21 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 22 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760-------------------------------- supercell ---------------------------------Lattice vectors: a 14.659658120000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.233621930000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.469312270000001Atomic positions (fractional): 1 O 0.10548827378041 0.11809257984385 0.93922635379959 15.999 > 1 2 O 0.60548827378041 0.11809257984385 0.93922635379959 15.999 > 1 3 O 0.35548827378041 0.38190742015615 0.56077364620041 15.999 > 3 4 O 0.85548827378041 0.38190742015615 0.56077364620041 15.999 > 3 5 O 0.14451172621959 0.88190742015615 0.43922635379959 15.999 > 5 6 O 0.64451172621959 0.88190742015615 0.43922635379959 15.999 > 5 7 O 0.14451172621959 0.11809257984385 0.56077364620041 15.999 > 7 8 O 0.64451172621959 0.11809257984385 0.56077364620041 15.999 > 7 9 O 0.14451172621959 0.38190742015615 0.56077364620041 15.999 > 9 10 O 0.64451172621959 0.38190742015615 0.56077364620041 15.999 > 9 11 O 0.39451172621959 0.11809257984385 0.93922635379959 15.999 > 11 12 O 0.89451172621959 0.11809257984385 0.93922635379959 15.999 > 11 13 O 0.10548827378041 0.61809257984385 0.06077364620041 15.999 > 13 14 O 0.60548827378041 0.61809257984385 0.06077364620041 15.999 > 13 15 O 0.10548827378041 0.38190742015615 0.93922635379959 15.999 > 15 16 O 0.60548827378041 0.38190742015615 0.93922635379959 15.999 > 15 17 O 0.00000000000000 0.25000000000000 0.65007782344934 15.999 > 17 18 O 0.50000000000000 0.25000000000000 0.65007782344934 15.999 > 17 19 O 0.25000000000000 0.25000000000000 0.84992217655066 15.999 > 19 20 O 0.75000000000000 0.25000000000000 0.84992217655066 15.999 > 19 21 O 0.00000000000000 0.09457314885988 0.23030203872297 15.999 > 21 22 O 0.50000000000000 0.09457314885988 0.23030203872297 15.999 > 21 23 O 0.25000000000000 0.40542685114012 0.26969796127703 15.999 > 23 24 O 0.75000000000000 0.40542685114012 0.26969796127703 15.999 > 23 25 O 0.25000000000000 0.90542685114012 0.73030203872297 15.999 > 25 26 O 0.75000000000000 0.90542685114012 0.73030203872297 15.999 > 25 27 O 0.00000000000000 0.59457314885988 0.76969796127703 15.999 > 27 28 O 0.50000000000000 0.59457314885988 0.76969796127703 15.999 > 27 29 O 0.35548827378041 0.61809257984385 0.43922635379959 15.999 > 1 30 O 0.85548827378041 0.61809257984385 0.43922635379959 15.999 > 1 31 O 0.10548827378041 0.88190742015615 0.06077364620041 15.999 > 3 32 O 0.60548827378041 0.88190742015615 0.06077364620041 15.999 > 3 33 O 0.39451172621959 0.38190742015615 0.93922635379959 15.999 > 5 34 O 0.89451172621959 0.38190742015615 0.93922635379959 15.999 > 5 35 O 0.39451172621959 0.61809257984385 0.06077364620041 15.999 > 7 36 O 0.89451172621959 0.61809257984385 0.06077364620041 15.999 > 7 37 O 0.39451172621959 0.88190742015615 0.06077364620041 15.999 > 9 38 O 0.89451172621959 0.88190742015615 0.06077364620041 15.999 > 9 39 O 0.14451172621959 0.61809257984385 0.43922635379959 15.999 > 11 40 O 0.64451172621959 0.61809257984385 0.43922635379959 15.999 > 11 41 O 0.35548827378041 0.11809257984385 0.56077364620041 15.999 > 13 42 O 0.85548827378041 0.11809257984385 0.56077364620041 15.999 > 13 43 O 0.35548827378041 0.88190742015615 0.43922635379959 15.999 > 15 44 O 0.85548827378041 0.88190742015615 0.43922635379959 15.999 > 15 45 O 0.25000000000000 0.75000000000000 0.15007782344934 15.999 > 17 46 O 0.75000000000000 0.75000000000000 0.15007782344934 15.999 > 17 47 O 0.00000000000000 0.75000000000000 0.34992217655066 15.999 > 19 48 O 0.50000000000000 0.75000000000000 0.34992217655066 15.999 > 19 49 O 0.25000000000000 0.59457314885988 0.73030203872297 15.999 > 21 50 O 0.75000000000000 0.59457314885988 0.73030203872297 15.999 > 21 51 O 0.00000000000000 0.90542685114012 0.76969796127703 15.999 > 23 52 O 0.50000000000000 0.90542685114012 0.76969796127703 15.999 > 23 53 O 0.00000000000000 0.40542685114012 0.23030203872297 15.999 > 25 54 O 0.50000000000000 0.40542685114012 0.23030203872297 15.999 > 25 55 O 0.25000000000000 0.09457314885988 0.26969796127703 15.999 > 27 56 O 0.75000000000000 0.09457314885988 0.26969796127703 15.999 > 27 57 Ca 0.12500000000000 0.25000000000000 0.25000000000000 40.078 > 57 58 Ca 0.62500000000000 0.25000000000000 0.25000000000000 40.078 > 57 59 Ca 0.12500000000000 0.75000000000000 0.75000000000000 40.078 > 59 60 Ca 0.62500000000000 0.75000000000000 0.75000000000000 40.078 > 59 61 Ca 0.00000000000000 0.00000000000000 0.50000000000000 40.078 > 61 62 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 > 61 63 Ca 0.25000000000000 0.00000000000000 0.00000000000000 40.078 > 63 64 Ca 0.75000000000000 0.00000000000000 0.00000000000000 40.078 > 63 65 Ca 0.37500000000000 0.75000000000000 0.75000000000000 40.078 > 57 66 Ca 0.87500000000000 0.75000000000000 0.75000000000000 40.078 > 57 67 Ca 0.37500000000000 0.25000000000000 0.25000000000000 40.078 > 59 68 Ca 0.87500000000000 0.25000000000000 0.25000000000000 40.078 > 59 69 Ca 0.25000000000000 0.50000000000000 0.00000000000000 40.078 > 61 70 Ca 0.75000000000000 0.50000000000000 0.00000000000000 40.078 > 61 71 Ca 0.00000000000000 0.50000000000000 0.50000000000000 40.078 > 63 72 Ca 0.50000000000000 0.50000000000000 0.50000000000000 40.078 > 63 73 Sb 0.12500000000000 0.25000000000000 0.75000000000000 121.760 > 73 74 Sb 0.62500000000000 0.25000000000000 0.75000000000000 121.760 > 73 75 Sb 0.37500000000000 0.25000000000000 0.75000000000000 121.760 > 75 76 Sb 0.87500000000000 0.25000000000000 0.75000000000000 121.760 > 75 77 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 77 78 Sb 0.50000000000000 0.00000000000000 0.00000000000000 121.760 > 77 79 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 79 80 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 79 81 Sb 0.37500000000000 0.75000000000000 0.25000000000000 121.760 > 73 82 Sb 0.87500000000000 0.75000000000000 0.25000000000000 121.760 > 73 83 Sb 0.12500000000000 0.75000000000000 0.25000000000000 121.760 > 75 84 Sb 0.62500000000000 0.75000000000000 0.25000000000000 121.760 > 75 85 Sb 0.25000000000000 0.50000000000000 0.50000000000000 121.760 > 77 86 Sb 0.75000000000000 0.50000000000000 0.50000000000000 121.760 > 77 87 Sb 0.25000000000000 0.00000000000000 0.50000000000000 121.760 > 79 88 Sb 0.75000000000000 0.00000000000000 0.50000000000000 121.760 > 79----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.0575950 0.0000000 0.0000000 0.0000000 4.0196286 0.0000000 0.0000000 0.0000000 3.9533748-------------------------- Born effective charges -------------------------- 1 O -2.0875233 -0.4638739 0.2404177 -0.5194319 -2.2682737 0.5637302 0.2456171 0.5792320 -1.9332306 2 O -2.0875233 0.4638739 -0.2404177 0.5194319 -2.2682737 0.5637302 -0.2456171 0.5792320 -1.9332306 3 O -2.0875233 -0.4638739 -0.2404177 -0.5194319 -2.2682737 -0.5637302 -0.2456171 -0.5792320 -1.9332306 4 O -2.0875233 0.4638739 0.2404177 0.5194319 -2.2682737 -0.5637302 0.2456171 -0.5792320 -1.9332306 5 O -2.0875233 -0.4638739 0.2404177 -0.5194319 -2.2682737 0.5637302 0.2456171 0.5792320 -1.9332306 6 O -2.0875233 0.4638739 -0.2404177 0.5194319 -2.2682737 0.5637302 -0.2456171 0.5792320 -1.9332306 7 O -2.0875233 -0.4638739 -0.2404177 -0.5194319 -2.2682737 -0.5637302 -0.2456171 -0.5792320 -1.9332306 8 O -2.0875233 0.4638739 0.2404177 0.5194319 -2.2682737 -0.5637302 0.2456171 -0.5792320 -1.9332306 9 O -3.2058795 0.0000000 0.0000000 0.0000000 -1.6419579 0.0000000 0.0000000 0.0000000 -1.6068898 10 O -3.2058795 0.0000000 0.0000000 0.0000000 -1.6419579 0.0000000 0.0000000 0.0000000 -1.6068898 11 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 -0.1877289 0.0000000 -0.1696197 -2.4848854 12 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 -0.1877289 0.0000000 -0.1696197 -2.4848854 13 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 0.1877289 0.0000000 0.1696197 -2.4848854 14 O -1.7776190 0.0000000 0.0000000 0.0000000 -2.0001597 0.1877289 0.0000000 0.1696197 -2.4848854 15 Ca 2.4553244 0.0000000 0.3224721 0.0000000 2.6342356 0.0000000 0.5081309 0.0000000 2.5022049 16 Ca 2.4553244 0.0000000 -0.3224721 0.0000000 2.6342356 0.0000000 -0.5081309 0.0000000 2.5022049 17 Ca 2.6379188 0.0000000 0.0000000 0.0000000 2.1918459 0.0802572 0.0000000 -0.0670887 2.8038413 18 Ca 2.6379188 0.0000000 0.0000000 0.0000000 2.1918459 -0.0802572 0.0000000 0.0670887 2.8038413 19 Sb 5.1220306 0.0000000 -0.3913904 0.0000000 4.8903643 0.0000000 -0.1026406 0.0000000 4.6387528 20 Sb 5.1220306 0.0000000 0.3913904 0.0000000 4.8903643 0.0000000 0.1026406 0.0000000 4.6387528 21 Sb 4.8959369 0.0000000 0.0000000 0.0000000 4.9989264 -0.0605821 0.0000000 -0.5730310 4.3647839 22 Sb 4.8959369 0.0000000 0.0000000 0.0000000 4.9989264 0.0605821 0.0000000 0.5730310 4.3647839----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yyx) -0.00000000 (yyx) -0.00000000 (yxy)Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... Generalized regular grid: [ 1 7 70 ]Grid generation matrix: [ 0 7 7 ] [ 5 0 5 ] [ 7 7 0 ]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: 0.63, Number of G-points: 311, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/96) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.133 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.324 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.946 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.811 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.483 ( 0.000 0.000 0.000) 0.000 7.831 ( 0.000 0.000 0.000) 0.000 7.913 ( 0.000 0.000 0.000) 0.000 8.196 ( 0.000 0.000 0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.818 ( 0.000 0.000 0.000) 0.000 8.830 ( 0.000 0.000 0.000) 0.000 9.289 ( 0.000 0.000 0.000) 0.000 9.706 ( 0.000 0.000 0.000) 0.000 9.939 ( 0.000 0.000 0.000) 0.000 10.061 ( 0.000 0.000 0.000) 0.000 10.350 ( 0.000 0.000 0.000) 0.000 10.475 ( 0.000 0.000 0.000) 0.000 10.651 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 0.000) 0.000 11.472 ( 0.000 0.000 0.000) 0.000 11.512 ( 0.000 0.000 0.000) 0.000 12.211 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 12.953 ( 0.000 0.000 0.000) 0.000 13.070 ( 0.000 0.000 0.000) 0.000 13.168 ( 0.000 0.000 0.000) 0.000 13.370 ( 0.000 0.000 0.000) 0.000 13.438 ( 0.000 0.000 0.000) 0.000 13.689 ( 0.000 0.000 0.000) 0.000 13.749 ( 0.000 0.000 0.000) 0.000 14.360 ( 0.000 0.000 0.000) 0.000 17.412 ( 0.000 0.000 0.000) 0.000 17.833 ( 0.000 0.000 0.000) 0.000 18.395 ( 0.000 0.000 0.000) 0.000 18.430 ( 0.000 0.000 0.000) 0.000 18.612 ( 0.000 0.000 0.000) 0.000 18.781 ( 0.000 0.000 0.000) 0.000 20.368 ( 0.000 0.000 0.000) 0.000 21.265 ( 0.000 0.000 0.000) 0.000 21.277 ( 0.000 0.000 0.000) 0.000 22.047 ( 0.000 0.000 0.000) 0.000 22.961 ( 0.000 0.000 0.000) 0.000 23.816 ( 0.000 0.000 0.000) 0.000 23.947 ( 0.000 0.000 0.000) 0.000 24.671 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/96) =======================q-point: (-0.14 0.00 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.117 ( 26.111 0.000 -25.011) 36.157 1.196 ( 28.681 0.000 -30.156) 41.617 1.848 ( 54.318 0.000 -38.348) 66.491 2.059 ( 3.083 0.000 2.678) 4.083 2.585 ( -6.579 0.000 -8.316) 10.604 2.750 ( 4.130 0.000 -7.244) 8.339 3.486 ( -14.105 -0.000 11.569) 18.242 3.798 ( -13.932 -0.000 -6.451) 15.353 3.984 ( -4.953 -0.000 4.588) 6.752 4.035 ( 2.310 0.000 1.168) 2.588 4.125 ( -0.533 0.000 -5.135) 5.163 4.293 ( 6.861 0.000 -2.322) 7.243 4.575 ( 11.681 0.000 2.845) 12.023 4.780 ( 7.821 0.000 1.383) 7.943 4.980 ( -10.364 -0.000 -9.705) 14.198 5.268 ( -1.968 0.000 -2.953) 3.549 5.512 ( 1.749 0.000 1.544) 2.333 5.528 ( 13.583 0.000 -7.985) 15.756 5.650 ( 5.490 0.000 -6.268) 8.333 5.679 ( -12.185 -0.000 -6.792) 13.950 6.001 ( -2.133 0.000 -13.624) 13.790 6.048 ( -10.733 -0.000 -0.703) 10.756 6.808 ( 2.393 -0.000 3.208) 4.002 6.863 ( -6.168 -0.000 1.605) 6.374 7.042 ( 0.523 0.000 -4.414) 4.444 7.355 ( -5.705 -0.000 3.657) 6.777 7.709 ( -5.645 -0.000 7.199) 9.149 7.918 ( -3.028 -0.000 -2.426) 3.880 8.189 ( -0.090 -0.000 6.145) 6.146 8.629 ( 9.102 -0.000 13.171) 16.010 9.078 ( 3.535 0.000 -10.778) 11.343 9.270 ( -4.552 -0.000 -2.825) 5.358 9.595 ( 21.796 -0.000 25.069) 33.219 9.840 ( -7.815 -0.000 -0.770) 7.853 9.861 ( 17.164 0.000 6.002) 18.183 10.135 ( 3.482 0.000 -3.137) 4.687 10.537 ( 6.133 0.000 3.998) 7.321 10.624 ( -4.911 -0.000 -3.275) 5.903 10.648 ( -13.366 -0.000 -7.090) 15.130 10.937 ( -3.277 -0.000 6.686) 7.446 11.411 ( -3.690 -0.000 -2.984) 4.746 11.649 ( 7.361 0.000 -1.164) 7.453 12.002 ( -14.644 -0.000 6.775) 16.135 12.605 ( -2.194 -0.000 2.864) 3.608 12.900 ( 2.072 -0.000 5.315) 5.704 13.119 ( -16.116 -0.000 2.525) 16.313 13.152 ( 0.664 -0.000 1.191) 1.364 13.195 ( 7.333 0.000 3.708) 8.217 13.730 ( -0.491 -0.000 2.834) 2.876 13.850 ( 11.613 0.000 1.498) 11.709 13.920 ( 14.339 0.000 10.727) 17.907 15.663 ( 2.086 -0.000 13.948) 14.103 17.412 ( 1.297 0.000 1.305) 1.840 17.855 ( -0.942 0.000 -3.299) 3.431 18.374 ( -7.236 -0.000 -1.560) 7.403 18.710 ( 4.020 0.000 -5.631) 6.918 18.903 ( 2.881 0.000 -8.576) 9.047 19.268 ( -23.184 0.000 -28.998) 37.126 20.305 ( -1.441 -0.000 5.197) 5.393 21.270 ( 0.134 -0.000 0.462) 0.481 21.981 ( -3.794 -0.000 2.150) 4.361 23.036 ( 3.041 0.000 -3.863) 4.916 23.189 ( 11.952 -0.000 16.517) 20.388 23.520 ( -21.797 -0.000 -0.791) 21.811 24.240 ( 20.242 0.000 4.819) 20.808 24.725 ( 1.593 0.000 -3.160) 3.538======================= Grid point 2 (3/96) =======================q-point: (-0.29 0.00 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.640 ( -5.138 -0.000 -5.184) 7.299 2.203 ( 19.358 0.000 -23.264) 30.265 2.286 ( 16.815 0.000 -3.992) 17.282 2.600 ( -3.426 0.000 -3.891) 5.184 2.929 ( -14.796 -0.000 8.296) 16.964 3.006 ( 8.510 0.000 -6.615) 10.779 3.506 ( 47.426 0.000 -26.923) 54.535 3.681 ( -11.160 -0.000 0.468) 11.170 3.726 ( -4.753 0.000 -8.545) 9.778 4.209 ( -5.340 -0.000 -3.209) 6.230 4.369 ( 1.091 0.000 -5.608) 5.713 4.415 ( 19.331 0.000 -5.975) 20.233 4.718 ( 3.796 0.000 -0.816) 3.883 4.891 ( 3.329 -0.000 5.035) 6.036 5.120 ( 15.437 0.000 0.817) 15.458 5.228 ( -3.265 -0.000 5.465) 6.366 5.363 ( -13.736 -0.000 -0.285) 13.739 5.640 ( -8.450 -0.000 -2.777) 8.895 5.745 ( 7.786 0.000 -2.684) 8.236 5.818 ( -5.451 -0.000 1.818) 5.746 5.921 ( 15.418 0.000 -1.563) 15.497 6.385 ( 5.638 0.000 -15.129) 16.145 6.713 ( -10.120 -0.000 -2.817) 10.505 6.773 ( 0.307 -0.000 3.502) 3.515 7.119 ( -2.444 -0.000 0.491) 2.493 7.231 ( -3.769 -0.000 -1.593) 4.092 7.427 ( -8.510 -0.000 1.124) 8.584 7.872 ( -7.028 -0.000 -3.227) 7.734 8.182 ( 9.125 0.000 0.323) 9.130 8.528 ( 2.933 -0.000 12.025) 12.378 9.080 ( -9.392 -0.000 6.907) 11.658 9.216 ( -8.062 -0.000 -3.776) 8.903 9.608 ( 11.191 0.000 5.352) 12.405 9.735 ( -7.620 -0.000 -4.521) 8.860 10.007 ( 8.741 0.000 7.138) 11.286 10.292 ( 3.883 0.000 -2.607) 4.677 10.498 ( 1.128 -0.000 6.192) 6.294 10.601 ( -4.876 0.000 -6.514) 8.137 10.646 ( -2.217 -0.000 17.103) 17.246 10.693 ( 1.483 0.000 -9.886) 9.996 11.456 ( -2.526 0.000 -5.172) 5.756 11.617 ( -11.389 -0.000 1.790) 11.529 11.791 ( 5.293 0.000 -0.743) 5.345 12.487 ( -2.839 -0.000 3.148) 4.239 12.780 ( -11.932 -0.000 2.253) 12.143 12.783 ( -3.939 -0.000 5.247) 6.562 13.075 ( 7.491 -0.000 18.850) 20.284 13.231 ( 1.592 0.000 -2.934) 3.338 13.615 ( -5.415 -0.000 1.982) 5.766 14.007 ( 7.956 0.000 2.375) 8.303 14.090 ( 5.055 0.000 -6.945) 8.590 15.375 ( -5.212 -0.000 11.527) 12.651 17.415 ( 1.367 0.000 0.954) 1.667 17.917 ( -0.325 0.000 -4.083) 4.096 18.226 ( -9.017 -0.000 -0.512) 9.032 18.957 ( 5.866 0.000 -9.381) 11.064 19.121 ( -3.556 0.000 -12.351) 12.853 19.470 ( 11.304 0.000 -4.170) 12.049 20.113 ( -3.449 -0.000 9.692) 10.288 21.266 ( 0.531 0.000 0.447) 0.694 21.860 ( -3.767 -0.000 1.804) 4.177 23.054 ( -2.292 -0.000 13.385) 13.580 23.148 ( -14.345 -0.000 -4.740) 15.108 23.183 ( 3.065 0.000 -4.287) 5.270 24.514 ( 15.273 0.000 3.095) 15.584 24.816 ( 0.361 0.000 -3.459) 3.478======================= Grid point 3 (4/96) =======================q-point: (-0.43 0.00 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.562 ( -1.754 -0.000 0.491) 1.822 2.232 ( -10.604 -0.000 2.588) 10.915 2.575 ( 0.413 0.000 -0.299) 0.510 2.721 ( 0.663 0.000 -7.126) 7.157 2.905 ( 5.787 0.000 -0.914) 5.858 3.412 ( 16.151 0.000 -9.631) 18.804 3.510 ( -3.366 -0.000 1.228) 3.583 3.969 ( -13.884 -0.000 4.088) 14.474 4.071 ( 8.561 0.000 -19.946) 21.706 4.449 ( 18.089 0.000 -5.018) 18.772 4.695 ( -1.472 -0.000 13.978) 14.055 4.740 ( 10.531 0.000 -5.004) 11.660 4.757 ( 0.982 -0.000 1.583) 1.863 4.842 ( 1.828 -0.000 4.942) 5.270 5.053 ( 3.802 0.000 -5.235) 6.470 5.075 ( -3.967 -0.000 9.059) 9.889 5.227 ( -5.773 0.000 -11.744) 13.086 5.512 ( -8.735 -0.000 -0.886) 8.780 5.831 ( 3.308 0.000 -1.983) 3.857 6.112 ( 17.863 0.000 -3.709) 18.244 6.165 ( 10.510 0.000 3.347) 11.030 6.510 ( -15.707 -0.000 -0.470) 15.714 6.581 ( -5.478 -0.000 -2.834) 6.167 6.701 ( -0.580 -0.000 1.060) 1.208 7.086 ( 10.767 0.000 3.026) 11.184 7.308 ( -11.943 -0.000 -4.224) 12.668 7.343 ( 7.129 0.000 -8.324) 10.960 7.763 ( -9.866 -0.000 -0.212) 9.868 8.177 ( -7.328 -0.000 15.052) 16.741 8.540 ( 14.919 0.000 -7.918) 16.890 8.781 ( -2.887 -0.000 4.638) 5.463 9.055 ( -11.951 -0.000 0.877) 11.983 9.711 ( -4.023 -0.000 -4.139) 5.772 9.770 ( 5.410 0.000 -2.421) 5.927 10.003 ( 2.814 0.000 1.137) 3.035 10.237 ( -5.199 -0.000 6.133) 8.040 10.303 ( -1.149 -0.000 10.793) 10.854 10.412 ( 0.805 -0.000 3.860) 3.943 10.638 ( -0.485 0.000 -2.925) 2.964 10.977 ( 6.950 0.000 -4.869) 8.486 11.428 ( -3.213 -0.000 0.208) 3.220 11.569 ( -2.738 0.000 -6.695) 7.233 11.906 ( 3.124 0.000 -1.714) 3.563 12.401 ( -1.449 -0.000 1.466) 2.061 12.603 ( -4.426 -0.000 2.450) 5.059 12.605 ( -3.543 -0.000 0.348) 3.560 12.826 ( 1.825 -0.000 12.060) 12.197 13.341 ( 5.011 0.000 -0.662) 5.055 13.475 ( -6.590 -0.000 -0.216) 6.594 14.073 ( 2.714 0.000 1.272) 2.998 14.307 ( 3.047 0.000 -5.148) 5.982 15.089 ( -3.866 -0.000 6.418) 7.493 17.426 ( 0.612 0.000 0.180) 0.637 17.975 ( 0.016 0.000 -1.768) 1.768 18.092 ( -3.878 -0.000 0.206) 3.883 19.225 ( -1.876 0.000 -4.489) 4.865 19.254 ( 4.619 0.000 -8.444) 9.624 19.753 ( 8.376 0.000 -1.319) 8.479 19.839 ( -3.786 -0.000 8.846) 9.623 21.275 ( 0.786 0.000 0.204) 0.812 21.785 ( -1.421 -0.000 0.573) 1.532 22.740 ( -7.980 -0.000 2.624) 8.401 23.074 ( -0.713 -0.000 0.732) 1.022 23.289 ( 1.210 0.000 -1.806) 2.174 24.699 ( 7.531 0.000 1.536) 7.686 24.851 ( -1.810 -0.000 -1.857) 2.593======================= Grid point 7 (5/96) =======================q-point: (-0.41 -0.01 0.01)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.103 ( 0.000 -3.133 1.508) 3.477 2.285 ( 0.000 -10.936 -15.900) 19.297 2.328 ( 0.000 -14.882 -14.800) 20.988 2.831 ( -0.000 1.774 -1.254) 2.172 2.890 ( -0.000 0.724 7.627) 7.661 3.191 ( -0.000 7.025 1.941) 7.288 3.398 ( -0.000 9.849 6.712) 11.918 3.851 ( -0.000 1.237 -3.951) 4.140 3.981 ( 0.000 -19.350 -17.694) 26.220 4.384 ( 0.000 -12.610 -0.503) 12.620 4.463 ( 0.000 0.042 -4.214) 4.214 4.488 ( 0.000 -3.908 -7.088) 8.094 4.643 ( 0.000 -4.992 0.433) 5.010 4.673 ( -0.000 7.938 9.039) 12.029 4.811 ( -0.000 5.331 2.269) 5.794 5.212 ( 0.000 -3.478 -1.790) 3.912 5.267 ( -0.000 3.326 2.010) 3.886 5.685 ( 0.000 -9.895 -3.706) 10.566 5.818 ( -0.000 1.602 -11.567) 11.677 5.870 ( -0.000 4.912 2.145) 5.360 6.035 ( -0.000 13.107 4.989) 14.024 6.383 ( -0.000 3.388 4.420) 5.569 6.559 ( -0.000 2.914 7.122) 7.696 6.620 ( -0.000 0.925 -0.003) 0.925 7.090 ( 0.000 -8.952 -7.386) 11.606 7.509 ( 0.000 -0.552 6.393) 6.417 7.536 ( -0.000 3.068 1.198) 3.293 8.191 ( 0.000 -7.266 -9.563) 12.010 8.335 ( 0.000 -1.052 -0.625) 1.224 8.595 ( -0.000 7.233 6.696) 9.857 8.621 ( 0.000 -7.305 -0.101) 7.305 9.317 ( -0.000 0.192 -1.130) 1.146 9.494 ( 0.000 -6.328 0.239) 6.332 9.668 ( -0.000 9.045 0.715) 9.073 9.691 ( -0.000 3.327 -1.026) 3.481 10.390 ( 0.000 -0.470 -3.341) 3.374 10.478 ( -0.000 4.001 -2.226) 4.578 10.707 ( 0.000 -6.491 -1.101) 6.584 11.017 ( 0.000 -5.545 -5.415) 7.750 11.071 ( 0.000 -3.045 3.892) 4.941 11.298 ( -0.000 3.194 12.116) 12.530 11.903 ( 0.000 -6.702 -5.644) 8.762 12.128 ( 0.000 -5.097 -4.939) 7.098 12.162 ( -0.000 5.676 10.235) 11.704 12.372 ( -0.000 4.755 3.491) 5.899 12.550 ( -0.000 2.845 6.247) 6.865 12.790 ( -0.000 8.172 4.594) 9.375 13.473 ( -0.000 1.141 -1.188) 1.647 13.715 ( 0.000 -3.553 0.817) 3.646 13.726 ( 0.000 -1.213 -1.242) 1.736 13.987 ( 0.000 -0.000 -2.768) 2.768 15.305 ( -0.000 2.870 0.194) 2.876 17.512 ( 0.000 -4.471 -0.606) 4.512 17.745 ( -0.000 6.365 0.450) 6.381 18.718 ( 0.000 -10.886 -0.918) 10.925 18.748 ( -0.000 0.601 -0.959) 1.132 18.960 ( -0.000 15.674 -2.804) 15.923 19.663 ( 0.000 -14.314 -10.406) 17.697 20.823 ( 0.000 -6.433 5.254) 8.306 20.853 ( -0.000 9.813 8.209) 12.795 21.703 ( -0.000 2.830 0.866) 2.960 22.060 ( -0.000 8.615 0.259) 8.618 23.671 ( 0.000 -0.133 1.240) 1.247 23.763 ( 0.000 -5.528 -1.038) 5.625 24.011 ( -0.000 0.156 -0.974) 0.986 24.872 ( 0.000 -1.112 -1.356) 1.753======================= Grid point 8 (6/96) =======================q-point: ( 0.44 -0.01 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.834 ( -9.619 -12.836 8.415) 18.114 2.580 ( 4.171 9.867 4.994) 11.820 2.698 ( -10.496 7.792 0.081) 13.072 2.811 ( 9.044 -3.306 -17.478) 19.955 3.011 ( 15.681 -0.641 2.845) 15.950 3.178 ( 9.636 0.086 -7.826) 12.414 3.427 ( 7.405 3.653 3.752) 9.070 3.852 ( 2.434 4.033 3.623) 5.943 4.235 ( -2.489 -1.948 -8.485) 9.055 4.278 ( -11.500 1.015 1.309) 11.619 4.436 ( -3.889 1.155 -0.000) 4.057 4.518 ( -0.316 -8.082 -5.007) 9.513 4.598 ( -0.055 2.546 -1.705) 3.064 4.672 ( -0.552 6.715 3.865) 7.767 4.890 ( 9.435 -2.553 0.497) 9.787 5.184 ( -3.809 5.550 1.095) 6.819 5.377 ( 11.077 -6.400 -1.079) 12.838 5.588 ( -3.295 -3.845 4.426) 6.725 5.741 ( 4.006 -4.557 9.646) 11.396 5.966 ( -0.085 12.327 1.624) 12.434 6.180 ( 4.914 12.428 -5.483) 14.445 6.305 ( -5.924 1.533 -11.713) 13.215 6.529 ( -4.517 -4.560 -0.445) 6.434 6.679 ( 8.603 3.452 -0.280) 9.274 7.185 ( 1.987 -1.759 0.277) 2.668 7.390 ( -4.853 -6.944 2.950) 8.971 7.516 ( 1.284 -0.392 -0.494) 1.431 8.150 ( -8.742 -2.876 7.284) 11.736 8.205 ( -5.151 0.217 3.573) 6.272 8.526 ( 3.733 -7.837 -0.881) 8.725 8.828 ( 1.505 6.093 -10.135) 11.921 9.239 ( -2.052 -1.610 5.390) 5.988 9.481 ( -0.988 -7.016 -0.485) 7.102 9.673 ( -0.281 9.872 -1.426) 9.978 9.768 ( 3.409 5.095 -2.658) 6.682 10.307 ( -5.054 -8.756 11.405) 15.241 10.416 ( -1.711 4.260 0.494) 4.617 10.632 ( -6.052 -13.775 14.250) 20.723 10.787 ( -1.228 -3.208 -7.967) 8.676 11.162 ( 6.381 -0.006 -2.796) 6.967 11.460 ( -8.417 13.898 -12.640) 20.586 11.846 ( -10.060 -0.142 -4.208) 10.906 12.057 ( 1.560 -2.238 -0.498) 2.773 12.337 ( 5.071 -2.603 1.552) 5.907 12.356 ( 8.098 0.232 0.332) 8.109 12.509 ( -0.468 -0.478 -3.151) 3.221 12.772 ( 4.696 -1.347 1.940) 5.256 13.269 ( -11.405 1.288 2.296) 11.704 13.734 ( -1.147 -1.238 -1.926) 2.560 13.786 ( 3.134 -1.099 2.184) 3.975 14.142 ( 11.184 1.424 -1.061) 11.324 15.201 ( -5.933 -0.973 3.326) 6.871 17.538 ( 0.008 -3.074 -1.785) 3.554 17.708 ( -1.574 5.586 1.437) 5.979 18.646 ( -3.549 -11.639 3.063) 12.548 18.910 ( 3.235 10.785 -1.608) 11.374 18.943 ( 4.715 8.062 -0.483) 9.352 19.851 ( 4.793 -2.625 -2.227) 5.901 20.478 ( -9.289 -21.318 10.990) 25.720 20.949 ( 13.786 0.733 5.897) 15.012 21.361 ( -19.871 10.522 -6.154) 23.312 22.526 ( 20.753 8.170 -7.057) 23.393 23.313 ( -20.944 -1.362 0.256) 20.990 23.916 ( -6.299 -4.042 -0.202) 7.487 24.106 ( 16.878 0.828 0.712) 16.914 24.907 ( 0.533 1.444 -1.238) 1.975======================= Grid point 9 (7/96) =======================q-point: ( 0.30 -0.01 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.539 ( -3.826 -17.591 5.691) 18.880 2.398 ( -15.682 9.623 0.138) 18.400 2.551 ( 11.223 8.575 9.008) 16.752 2.944 ( 4.907 -9.021 10.187) 14.465 3.224 ( 4.752 -5.364 1.536) 7.329 3.443 ( 5.022 -0.000 3.085) 5.894 3.700 ( -4.999 1.629 9.533) 10.887 3.876 ( 11.909 15.381 -15.175) 24.672 4.138 ( 1.568 9.918 -1.146) 10.107 4.261 ( -8.338 0.739 -6.046) 10.326 4.345 ( -15.348 7.616 0.778) 17.152 4.481 ( 6.358 6.768 -1.808) 9.461 4.640 ( -6.300 -11.580 -6.964) 14.909 4.735 ( 6.422 -8.403 1.643) 10.703 4.952 ( 11.985 16.787 -0.279) 20.628 5.298 ( 4.773 -2.663 -4.731) 7.229 5.361 ( 7.812 4.035 7.921) 11.834 5.679 ( -2.376 0.355 -0.306) 2.422 5.755 ( 7.751 2.032 2.356) 8.353 5.917 ( 1.737 6.700 4.952) 8.510 6.154 ( -1.184 4.875 -3.581) 6.164 6.433 ( -10.193 -8.638 -3.445) 13.798 6.542 ( 8.580 1.761 -2.028) 8.990 6.801 ( 3.192 0.405 4.029) 5.156 7.159 ( 2.324 5.366 6.224) 8.540 7.183 ( -8.341 -8.406 5.232) 12.946 7.486 ( -8.596 1.382 0.377) 8.714 7.690 ( -11.994 -0.101 8.282) 14.576 8.299 ( 6.457 -4.248 -7.878) 11.036 8.692 ( 4.289 -12.153 -9.289) 15.886 8.957 ( -4.627 4.552 -7.359) 9.812 9.071 ( 0.227 -3.480 9.404) 10.030 9.466 ( -1.843 -8.462 -0.664) 8.685 9.719 ( 0.124 11.543 -2.517) 11.815 9.878 ( 4.235 -7.873 6.153) 10.853 9.999 ( 0.269 -4.651 5.657) 7.328 10.318 ( -3.849 7.269 4.121) 9.199 10.480 ( -2.171 -3.687 -3.764) 5.699 10.888 ( -1.210 4.513 -3.769) 6.003 11.193 ( -4.001 2.230 3.980) 6.068 11.387 ( -8.088 6.355 -6.833) 12.349 11.805 ( -8.368 -0.674 -3.218) 8.991 12.119 ( 5.961 1.470 -2.625) 6.677 12.384 ( 0.379 -2.121 0.332) 2.180 12.529 ( 4.433 -5.185 -3.927) 7.871 12.662 ( -2.217 -4.370 -11.353) 12.366 12.824 ( 6.267 -10.184 3.178) 12.373 13.098 ( 0.061 2.585 2.039) 3.293 13.672 ( -5.626 -2.225 1.175) 6.163 13.809 ( -0.219 6.092 -0.125) 6.098 14.421 ( 13.609 -4.426 -2.185) 14.476 15.030 ( -4.346 1.093 1.379) 4.689 17.570 ( -0.592 -2.871 -1.991) 3.543 17.654 ( -1.182 5.357 0.622) 5.521 18.490 ( -2.798 -10.743 5.855) 12.550 18.766 ( -3.530 11.511 7.306) 14.083 19.303 ( 15.127 9.609 -6.428) 19.039 19.886 ( -0.781 2.333 5.218) 5.769 20.125 ( -3.092 -23.057 7.903) 24.569 20.930 ( -10.207 19.018 0.260) 21.586 21.469 ( 15.857 -10.453 -6.696) 20.138 22.824 ( -10.414 -11.241 2.943) 15.604 23.048 ( 0.254 10.442 -9.885) 14.381 23.718 ( -10.294 1.688 2.454) 10.716 24.427 ( 15.078 -1.768 -0.177) 15.183 24.923 ( -1.327 3.276 -0.905) 3.648======================= Grid point 10 (8/96) =======================q-point: ( 0.16 -0.01 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( 13.760 -16.890 -3.646) 22.088 2.159 ( -13.060 9.483 -4.594) 16.781 2.682 ( 12.586 -2.016 8.506) 15.324 2.807 ( 4.910 -5.590 13.146) 15.105 3.090 ( 1.203 4.175 9.324) 10.286 3.264 ( -19.629 2.510 6.362) 20.786 3.396 ( -3.075 -13.876 6.028) 15.438 3.800 ( -9.665 12.487 4.060) 16.305 4.149 ( -2.407 1.159 -4.732) 5.434 4.373 ( -2.857 9.358 -8.670) 13.073 4.450 ( 4.367 3.817 -6.472) 8.690 4.462 ( -6.060 3.738 -5.482) 8.986 4.829 ( 7.119 -3.909 -1.883) 8.337 4.901 ( 5.059 -4.840 -1.039) 7.078 5.194 ( 5.861 6.511 -3.924) 9.599 5.308 ( -1.768 6.903 2.507) 7.554 5.517 ( 1.068 -10.012 -0.935) 10.112 5.681 ( 9.520 5.549 -0.829) 11.050 5.726 ( 2.520 10.402 6.812) 12.687 5.838 ( -12.466 -3.101 -1.481) 12.931 6.144 ( 5.489 -2.679 3.474) 7.026 6.324 ( -4.457 2.619 4.628) 6.939 6.612 ( -3.984 -5.764 1.482) 7.162 6.703 ( -0.834 7.701 5.944) 9.764 6.946 ( 1.323 -10.535 -0.314) 10.622 7.190 ( -1.183 -7.820 4.740) 9.221 7.278 ( 2.195 13.088 -1.857) 13.400 7.452 ( -8.826 0.915 0.513) 8.888 8.588 ( 9.105 -8.127 -5.286) 13.300 8.911 ( 7.841 -12.189 8.972) 17.045 8.937 ( -8.120 2.052 -9.379) 12.574 9.070 ( -1.050 -2.256 -9.752) 10.064 9.480 ( -0.517 -3.846 -5.413) 6.660 9.615 ( -1.400 4.809 5.927) 7.760 9.866 ( 4.138 3.042 6.468) 8.259 10.019 ( 1.184 -3.549 4.407) 5.781 10.130 ( 4.165 2.396 5.891) 7.602 10.474 ( -8.593 6.500 -2.173) 10.991 11.026 ( 7.316 7.081 -9.409) 13.864 11.113 ( -10.445 -2.328 -10.255) 14.821 11.400 ( 6.798 2.817 5.089) 8.947 11.575 ( -12.628 -0.727 4.409) 13.396 12.326 ( -1.026 -4.558 -5.173) 6.970 12.364 ( -0.626 -0.412 -1.221) 1.433 12.617 ( -7.503 -13.173 0.284) 15.162 12.680 ( 10.669 10.189 -1.258) 14.807 13.060 ( 9.843 -10.075 -5.557) 15.142 13.199 ( 8.003 0.427 -2.910) 8.526 13.497 ( -6.317 -2.309 4.291) 7.978 13.707 ( -7.813 11.470 2.532) 14.107 14.681 ( 6.645 -17.599 -1.881) 18.905 15.043 ( 2.268 13.385 -3.932) 14.134 17.591 ( -1.100 -3.315 -2.210) 4.133 17.654 ( 0.482 4.714 -0.874) 4.819 18.355 ( -0.802 -6.552 3.620) 7.528 18.527 ( -2.896 8.173 10.084) 13.299 19.639 ( -10.451 -14.716 3.069) 18.309 19.672 ( 9.992 9.941 -2.988) 14.408 20.144 ( 11.263 -6.399 1.787) 13.076 20.672 ( -13.425 19.735 1.646) 23.925 21.993 ( 23.119 -11.288 -5.682) 26.348 22.479 ( -16.055 -6.370 0.524) 17.281 23.251 ( 2.191 1.225 -3.839) 4.587 23.467 ( -8.443 6.225 2.847) 10.869 24.669 ( 9.141 -3.686 -0.043) 9.856 24.883 ( -4.618 4.365 -0.746) 6.398======================= Grid point 11 (9/96) =======================q-point: ( 0.01 -0.01 -0.41)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( -10.787 12.781 -0.000) 16.724 2.100 ( 24.490 -12.821 0.000) 27.643 2.396 ( -16.197 -10.145 0.000) 19.112 2.652 ( -29.102 -4.622 0.000) 29.467 2.827 ( 3.995 2.364 -0.000) 4.642 3.273 ( 20.867 -2.161 -0.000) 20.979 3.420 ( 11.367 -19.718 0.000) 22.760 3.654 ( -1.945 13.098 -0.000) 13.242 4.216 ( 0.450 -9.764 0.000) 9.774 4.225 ( -12.480 9.509 -0.000) 15.690 4.500 ( -4.605 -2.849 0.000) 5.415 4.608 ( 1.533 7.405 -0.000) 7.562 4.692 ( -17.920 -17.974 0.000) 25.380 5.026 ( 0.974 -7.579 0.000) 7.642 5.137 ( -16.569 1.518 0.000) 16.639 5.138 ( -2.461 5.925 -0.000) 6.416 5.413 ( -6.671 -10.358 0.000) 12.321 5.696 ( 0.213 3.243 -0.000) 3.250 5.783 ( 7.391 8.555 -0.000) 11.305 5.895 ( 7.212 -1.976 0.000) 7.478 5.973 ( -17.240 -5.048 0.000) 17.964 6.424 ( 12.998 11.839 -0.000) 17.581 6.490 ( -0.223 -6.345 0.000) 6.349 6.723 ( 8.041 7.043 -0.000) 10.689 6.988 ( -6.461 -14.652 0.000) 16.014 7.073 ( 0.988 -0.393 0.000) 1.063 7.315 ( 0.012 8.332 -0.000) 8.332 7.481 ( 8.277 3.661 -0.000) 9.050 8.818 ( 4.192 -18.277 0.000) 18.752 8.901 ( -6.930 2.435 -0.000) 7.345 8.963 ( 5.182 0.990 -0.000) 5.275 9.031 ( -1.200 4.099 -0.000) 4.271 9.622 ( -1.336 9.764 -0.000) 9.855 9.659 ( 3.565 3.055 -0.000) 4.695 9.730 ( 9.513 -10.104 0.000) 13.878 9.954 ( -1.001 13.665 -0.000) 13.701 10.307 ( -9.778 13.403 -0.000) 16.591 10.318 ( 13.529 -9.091 0.000) 16.300 11.089 ( -8.352 -4.820 0.000) 9.643 11.164 ( -13.301 -2.639 0.000) 13.560 11.378 ( 6.545 4.352 -0.000) 7.860 11.499 ( 13.413 -0.207 -0.000) 13.415 12.206 ( -9.991 -14.531 0.000) 17.634 12.468 ( -4.358 -4.212 0.000) 6.061 12.493 ( 8.012 3.609 -0.000) 8.787 12.979 ( 12.698 19.370 -0.000) 23.161 13.253 ( -8.022 2.434 -0.000) 8.383 13.369 ( 11.562 -16.346 0.000) 20.022 13.445 ( 10.019 -0.964 -0.000) 10.065 13.448 ( -12.637 13.777 -0.000) 18.695 14.753 ( -0.339 -17.926 0.000) 17.929 15.115 ( -2.335 21.507 -0.000) 21.633 17.595 ( -1.510 -3.383 0.000) 3.705 17.682 ( 1.005 3.164 -0.000) 3.320 18.313 ( -2.065 -1.200 0.000) 2.388 18.378 ( 2.552 0.337 -0.000) 2.574 19.399 ( -10.915 -17.776 0.000) 20.860 19.767 ( -3.930 0.565 0.000) 3.970 20.413 ( 14.872 -7.989 0.000) 16.883 20.422 ( -6.343 25.284 -0.000) 26.067 22.169 ( -14.940 -0.325 0.000) 14.944 22.549 ( 25.568 -2.826 -0.000) 25.724 23.274 ( 0.407 -5.318 0.000) 5.334 23.348 ( -3.006 6.070 -0.000) 6.773 24.757 ( -9.404 4.472 -0.000) 10.414 24.791 ( 3.824 -5.030 0.000) 6.318======================= Grid point 12 (10/96) =======================q-point: (-0.13 -0.01 -0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.883 ( -0.950 17.433 -1.356) 17.511 2.083 ( -3.652 -16.980 -3.856) 17.791 2.172 ( -20.297 -7.912 -9.425) 23.736 2.674 ( 5.114 -14.738 -9.433) 18.230 2.948 ( -0.196 -7.880 -8.599) 11.666 3.594 ( -4.234 -9.690 6.670) 12.502 3.611 ( 8.885 -2.324 2.000) 9.400 3.803 ( 11.370 -7.939 -6.475) 15.305 3.872 ( -16.749 -1.689 1.775) 16.927 4.163 ( 4.758 -9.925 6.230) 12.647 4.275 ( -10.079 -10.514 -9.986) 17.660 4.407 ( -5.410 -4.024 1.280) 6.863 4.482 ( -18.252 -6.256 -2.382) 19.441 4.966 ( -2.548 8.216 2.727) 9.024 5.023 ( 3.737 10.176 0.429) 10.849 5.185 ( -4.057 -2.796 1.117) 5.052 5.247 ( -1.447 -1.944 -0.854) 2.570 5.568 ( -10.270 -6.862 -3.342) 12.796 5.808 ( 0.823 0.690 3.078) 3.260 5.942 ( 6.089 3.055 2.200) 7.159 6.016 ( -2.678 -2.830 -7.872) 8.783 6.543 ( -1.383 -2.172 -0.785) 2.692 6.596 ( 1.346 5.218 -2.886) 6.113 6.713 ( -1.620 -10.700 -1.629) 10.944 6.890 ( 1.344 -0.589 6.149) 6.322 7.292 ( 9.282 8.847 -7.959) 15.092 7.429 ( 8.254 3.010 -2.780) 9.215 7.611 ( 7.773 -0.829 0.783) 7.856 8.565 ( -7.480 8.167 8.605) 14.025 8.871 ( 5.046 -18.342 7.327) 20.386 9.003 ( -2.346 6.768 -7.839) 10.619 9.255 ( 4.334 6.107 3.184) 8.137 9.370 ( -5.100 2.169 5.851) 8.059 9.769 ( 2.374 0.028 4.851) 5.400 9.940 ( 7.824 11.319 -9.524) 16.734 10.032 ( -9.626 3.746 -0.683) 10.352 10.143 ( 0.716 4.870 -5.552) 7.420 10.575 ( 10.269 -2.794 -0.331) 10.648 10.755 ( -4.773 -6.226 7.157) 10.619 11.123 ( -6.167 -3.179 -6.611) 9.584 11.481 ( 17.214 0.375 9.921) 19.872 11.792 ( 10.053 -0.416 -1.955) 10.250 11.997 ( -8.060 -13.948 1.848) 16.215 12.422 ( -0.412 2.148 0.232) 2.199 12.655 ( 5.063 5.646 0.349) 7.592 13.016 ( -5.479 4.450 2.900) 7.631 13.106 ( 0.722 10.956 5.656) 12.351 13.176 ( 0.178 10.487 10.606) 14.916 13.619 ( 5.313 -8.926 -3.507) 10.964 13.660 ( 5.333 1.082 -4.049) 6.783 14.568 ( -13.244 -6.207 9.590) 17.490 15.042 ( -2.605 15.013 -5.191) 16.097 17.552 ( -0.697 -4.585 1.522) 4.881 17.687 ( 1.088 4.535 0.327) 4.675 18.411 ( 4.035 -5.844 -7.670) 10.453 18.522 ( 2.204 3.836 -8.486) 9.570 19.170 ( -11.945 -13.390 2.079) 18.063 19.595 ( -14.018 -9.934 -5.465) 18.030 20.489 ( 6.298 28.124 -5.957) 29.430 20.687 ( 15.903 -12.153 3.038) 20.244 21.835 ( -12.472 9.323 6.925) 17.041 22.977 ( 22.017 2.484 3.219) 22.390 23.128 ( -9.441 1.080 8.516) 12.760 23.495 ( 9.371 -8.603 -7.924) 14.987 24.499 ( -15.378 3.433 1.606) 15.838 24.842 ( 0.735 -4.691 -0.918) 4.836======================= Grid point 13 (11/96) =======================q-point: (-0.27 -0.01 -0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.884 ( -4.192 -1.351 -10.899) 11.755 2.128 ( -0.491 -13.002 -6.902) 14.728 2.326 ( -8.436 -15.127 -13.917) 22.219 2.778 ( -3.472 -5.512 -2.762) 7.076 3.032 ( -2.259 -11.934 -0.008) 12.146 3.223 ( -0.698 3.873 6.459) 7.563 3.557 ( -10.604 -17.584 -6.680) 21.594 3.730 ( -6.157 2.948 -1.524) 6.995 3.906 ( -7.529 1.995 -1.767) 7.987 4.277 ( 5.527 -4.977 -3.204) 8.098 4.313 ( 7.890 -12.676 -1.055) 14.968 4.376 ( -2.893 -3.348 -5.536) 7.087 4.584 ( 7.475 -8.861 -8.442) 14.340 4.800 ( -5.374 1.883 4.197) 7.074 4.894 ( -1.801 5.718 8.070) 10.053 5.167 ( 3.134 4.841 -0.903) 5.837 5.437 ( -7.481 2.282 -1.676) 7.999 5.479 ( -2.157 -0.611 -10.073) 10.320 5.724 ( 1.522 1.077 0.910) 2.074 5.942 ( -1.738 -8.082 2.039) 8.515 6.066 ( 2.868 14.569 2.266) 15.020 6.466 ( -2.907 -4.605 2.657) 6.060 6.564 ( 1.919 2.350 2.626) 4.013 6.798 ( 0.381 4.001 6.430) 7.583 6.915 ( -1.635 -13.712 -12.811) 18.836 7.492 ( 1.777 10.620 -4.051) 11.505 7.592 ( 4.636 -1.430 4.294) 6.479 7.900 ( 13.112 -4.706 -7.571) 15.855 8.315 ( -3.562 5.009 4.690) 7.731 8.754 ( -0.482 -13.539 10.954) 17.422 8.840 ( -10.249 9.622 6.670) 15.560 9.185 ( 2.148 5.004 -7.920) 9.611 9.456 ( 2.419 -5.924 -1.739) 6.631 9.711 ( -0.062 4.878 2.918) 5.684 9.787 ( -6.806 0.086 4.110) 7.951 10.262 ( 4.508 0.367 -7.492) 8.751 10.329 ( 3.186 7.696 -7.065) 10.922 10.617 ( 2.031 1.453 -2.577) 3.588 10.836 ( 4.895 -4.194 -4.825) 8.052 11.103 ( -3.549 -0.556 -0.387) 3.613 11.593 ( 17.844 -7.116 20.518) 28.108 11.841 ( -3.569 -6.540 -2.309) 7.800 11.971 ( 6.390 -5.048 1.564) 8.293 12.409 ( -0.412 3.483 1.084) 3.671 12.546 ( -8.725 8.466 7.092) 14.075 12.743 ( -3.413 6.436 12.538) 14.501 12.952 ( -3.819 8.445 8.385) 12.498 13.226 ( 12.261 2.194 -3.293) 12.884 13.685 ( -0.687 -5.529 -1.404) 5.746 13.789 ( 0.850 1.762 -1.877) 2.711 14.107 ( -16.568 -3.070 0.871) 16.872 15.201 ( 4.439 7.502 -5.268) 10.186 17.518 ( 0.040 -5.281 1.182) 5.412 17.725 ( 1.227 6.315 -0.969) 6.505 18.624 ( 3.947 -10.014 -4.067) 11.507 18.771 ( 2.773 11.925 -8.793) 15.074 18.895 ( -9.053 -3.726 0.902) 9.831 19.533 ( -8.631 -15.721 -10.987) 21.032 20.732 ( 5.010 14.696 -3.573) 15.932 20.970 ( 12.198 2.742 -0.356) 12.508 21.501 ( 3.377 7.494 11.325) 13.994 22.602 ( -22.153 -2.557 11.931) 25.291 23.343 ( 20.054 0.811 1.012) 20.096 23.818 ( 7.204 -6.920 -5.140) 11.234 24.139 ( -16.984 2.265 1.043) 17.166 24.859 ( -0.757 -3.304 -1.155) 3.581======================= Grid point 14 (12/96) =======================q-point: ( 0.17 -0.03 0.03)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.032 ( -0.000 27.387 23.537) 36.112 1.087 ( -0.000 32.645 20.956) 38.792 1.899 ( -0.000 46.854 45.267) 65.150 2.246 ( -0.000 7.313 -7.835) 10.717 2.688 ( -0.000 0.102 4.406) 4.407 2.834 ( -0.000 10.181 -1.817) 10.342 3.703 ( 0.000 -0.110 -10.921) 10.922 3.792 ( 0.000 -1.572 -3.703) 4.023 4.016 ( 0.000 -5.292 0.674) 5.335 4.137 ( -0.000 0.776 2.959) 3.059 4.162 ( -0.000 9.931 -1.301) 10.016 4.195 ( 0.000 -10.081 -2.881) 10.485 4.418 ( -0.000 7.971 6.793) 10.473 4.762 ( -0.000 2.906 -0.944) 3.055 5.050 ( 0.000 -6.563 1.447) 6.720 5.284 ( 0.000 -3.977 -0.277) 3.986 5.360 ( -0.000 3.000 2.083) 3.653 5.443 ( 0.000 -3.462 -2.640) 4.354 5.583 ( 0.000 -2.033 14.687) 14.827 5.961 ( 0.000 -5.624 4.283) 7.069 6.162 ( -0.000 16.778 21.156) 27.001 6.228 ( -0.000 6.977 1.254) 7.089 6.572 ( 0.000 -10.314 -5.267) 11.581 6.687 ( 0.000 -6.419 -0.344) 6.429 7.232 ( 0.000 -6.071 -17.999) 18.995 7.692 ( 0.000 -15.219 2.117) 15.365 7.698 ( 0.000 -1.449 -2.329) 2.743 8.145 ( -0.000 22.536 -28.121) 36.037 8.209 ( 0.000 -1.833 3.174) 3.665 8.518 ( -0.000 22.212 -6.732) 23.210 8.988 ( -0.000 0.971 -2.973) 3.128 9.073 ( 0.000 -9.220 9.713) 13.392 9.359 ( -0.000 4.222 1.985) 4.666 9.706 ( -0.000 0.202 -0.289) 0.353 9.905 ( 0.000 -2.218 -3.896) 4.483 10.108 ( -0.000 1.395 6.080) 6.238 10.434 ( 0.000 -10.813 7.769) 13.314 10.565 ( -0.000 2.118 2.157) 3.024 10.716 ( -0.000 4.215 2.357) 4.830 11.148 ( 0.000 -3.842 0.154) 3.846 11.563 ( -0.000 5.119 3.993) 6.492 12.025 ( -0.000 22.184 -24.410) 32.985 12.260 ( -0.000 8.768 -26.737) 28.139 12.538 ( 0.000 -6.487 -1.110) 6.581 12.753 ( 0.000 -7.319 -9.718) 12.165 12.990 ( 0.000 -4.845 -7.615) 9.025 13.242 ( 0.000 -8.070 -6.423) 10.314 13.339 ( -0.000 8.346 1.262) 8.441 13.527 ( -0.000 0.721 7.152) 7.188 13.702 ( -0.000 3.225 -1.536) 3.572 13.800 ( -0.000 1.193 4.003) 4.177 15.275 ( 0.000 -22.775 21.548) 31.353 17.446 ( -0.000 4.107 -1.081) 4.247 17.815 ( 0.000 -4.614 2.365) 5.185 18.480 ( -0.000 3.438 2.350) 4.165 18.704 ( -0.000 4.314 0.363) 4.329 18.922 ( -0.000 11.129 7.252) 13.283 18.927 ( 0.000 -31.734 29.619) 43.409 20.974 ( -0.000 1.607 -9.099) 9.240 21.238 ( 0.000 -1.204 -2.708) 2.963 21.916 ( 0.000 -9.990 -2.082) 10.204 22.557 ( -0.000 0.809 -20.970) 20.986 23.439 ( -0.000 14.321 5.652) 15.395 23.768 ( 0.000 -1.993 -2.063) 2.868 23.955 ( 0.000 -0.637 1.449) 1.583 24.737 ( -0.000 3.729 2.032) 4.246======================= Grid point 15 (13/96) =======================q-point: ( 0.03 -0.03 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.076 ( 24.002 27.085 -0.000) 36.190 1.131 ( 29.518 25.281 -0.000) 38.864 2.007 ( 46.681 47.084 -0.000) 66.302 2.344 ( -0.574 -6.974 0.000) 6.998 2.621 ( -10.418 21.248 -0.000) 23.664 2.701 ( 1.137 7.608 -0.000) 7.693 3.693 ( -10.736 0.547 0.000) 10.750 3.811 ( -8.407 13.664 -0.000) 16.043 3.967 ( -3.366 -2.306 0.000) 4.080 4.130 ( -4.073 6.119 -0.000) 7.351 4.133 ( 4.456 6.363 -0.000) 7.768 4.239 ( 3.026 -1.026 0.000) 3.195 4.373 ( 2.139 -26.015 0.000) 26.103 4.855 ( 9.356 3.483 -0.000) 9.984 4.930 ( 2.765 13.537 -0.000) 13.816 5.165 ( -6.306 -0.805 0.000) 6.357 5.342 ( 1.967 -2.934 0.000) 3.533 5.475 ( 0.651 -5.625 0.000) 5.663 5.636 ( 14.791 1.722 -0.000) 14.891 5.872 ( -0.589 20.917 -0.000) 20.925 5.877 ( -3.952 -0.157 0.000) 3.955 6.220 ( -0.810 15.439 -0.000) 15.460 6.661 ( -0.430 -7.532 0.000) 7.545 6.713 ( 3.176 -11.938 0.000) 12.353 7.355 ( -8.721 -4.779 0.000) 9.945 7.397 ( -23.127 13.029 -0.000) 26.545 7.671 ( -0.749 -13.884 0.000) 13.904 7.755 ( -6.378 -0.492 0.000) 6.397 8.560 ( -2.860 22.638 -0.000) 22.818 8.781 ( 3.433 -6.940 0.000) 7.742 8.880 ( 4.371 -1.746 0.000) 4.707 9.276 ( -5.210 3.454 -0.000) 6.251 9.716 ( 16.011 -21.256 0.000) 26.611 9.865 ( -8.682 3.105 -0.000) 9.221 9.866 ( 21.151 -10.885 0.000) 23.787 10.064 ( 3.312 -3.880 0.000) 5.101 10.208 ( -6.314 -6.289 0.000) 8.912 10.620 ( -1.074 4.387 -0.000) 4.517 10.655 ( 2.823 5.210 -0.000) 5.926 11.053 ( -6.938 -3.143 0.000) 7.617 11.618 ( 8.011 4.414 -0.000) 9.147 11.958 ( -37.925 24.394 -0.000) 45.092 12.052 ( -12.655 -1.709 0.000) 12.770 12.532 ( -1.555 -7.027 0.000) 7.197 12.858 ( 1.282 -8.649 0.000) 8.744 13.123 ( 6.937 -8.264 0.000) 10.790 13.184 ( -7.245 -0.314 0.000) 7.252 13.348 ( -4.515 17.487 -0.000) 18.061 13.697 ( 4.598 -13.319 0.000) 14.090 13.717 ( -3.444 0.040 0.000) 3.445 14.425 ( -2.401 11.964 -0.000) 12.203 15.123 ( 44.344 -50.912 0.000) 67.516 17.460 ( 1.380 3.135 -0.000) 3.425 17.788 ( -1.115 -3.101 0.000) 3.295 18.332 ( -4.926 1.676 -0.000) 5.203 18.445 ( -1.703 2.657 -0.000) 3.156 18.768 ( 5.516 10.160 -0.000) 11.561 19.042 ( 16.911 5.591 -0.000) 17.811 20.796 ( -24.625 21.674 -0.000) 32.805 21.034 ( -2.784 -21.401 0.000) 21.582 21.947 ( 0.999 -6.984 0.000) 7.055 23.107 ( 1.000 10.260 -0.000) 10.308 23.328 ( 5.692 -7.019 0.000) 9.037 23.511 ( -22.284 0.388 0.000) 22.287 24.252 ( 20.760 -5.062 0.000) 21.368 24.725 ( 0.654 4.281 -0.000) 4.331======================= Grid point 16 (14/96) =======================q-point: (-0.11 -0.03 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.711 ( 11.312 17.142 -6.858) 21.653 1.915 ( 20.845 17.321 -17.156) 32.076 2.216 ( 13.079 -10.173 -0.877) 16.593 2.451 ( -5.459 0.074 -6.674) 8.622 2.875 ( 6.313 1.717 -7.058) 9.624 3.172 ( 17.378 18.612 0.923) 25.481 3.351 ( 0.384 18.175 -2.653) 18.372 3.671 ( 2.557 14.547 -8.956) 17.273 3.893 ( -3.974 -1.441 3.777) 5.669 4.034 ( -0.062 -0.508 -0.426) 0.666 4.292 ( -0.196 -1.766 1.116) 2.098 4.399 ( 17.254 5.207 -2.608) 18.210 4.503 ( 3.726 -16.586 -5.034) 17.729 5.007 ( 2.591 7.615 0.327) 8.051 5.125 ( -1.392 -5.229 -0.685) 5.455 5.154 ( 15.600 -1.681 -0.331) 15.694 5.316 ( -4.215 -4.581 1.400) 6.380 5.537 ( 2.132 -5.815 -2.871) 6.827 5.767 ( 0.423 6.205 1.503) 6.399 5.870 ( 0.163 2.109 1.265) 2.465 5.992 ( -1.079 8.796 -13.716) 16.330 6.319 ( 13.943 14.512 1.277) 20.165 6.619 ( -7.639 -2.489 -4.001) 8.975 6.738 ( 0.499 -8.341 1.859) 8.560 6.992 ( -4.274 -5.824 5.280) 8.948 7.290 ( -10.528 5.722 -8.256) 14.552 7.580 ( -7.734 -1.445 4.922) 9.281 7.623 ( -4.780 -10.610 -0.122) 11.638 8.458 ( -2.239 19.788 1.909) 20.006 8.718 ( 6.769 -4.652 11.089) 13.799 9.086 ( -0.100 -2.110 -3.904) 4.439 9.175 ( -9.305 4.245 -4.556) 11.197 9.615 ( -1.130 -9.948 10.322) 14.380 9.744 ( -1.396 -0.301 2.854) 3.191 10.092 ( 6.961 -2.626 0.919) 7.496 10.149 ( -3.271 -8.135 -6.427) 10.871 10.311 ( 6.309 -11.530 -2.197) 13.325 10.519 ( -7.907 1.543 -5.972) 10.028 10.677 ( 4.501 2.404 9.326) 10.631 11.025 ( 1.424 7.587 -2.189) 8.024 11.461 ( -9.974 4.942 6.329) 12.804 11.726 ( -8.652 4.791 2.650) 10.239 11.814 ( 4.438 2.676 -1.031) 5.284 12.484 ( -2.266 -4.169 0.905) 4.831 12.755 ( -10.349 -4.261 1.795) 11.335 12.993 ( -0.997 4.982 7.063) 8.701 13.198 ( -2.118 3.990 0.814) 4.590 13.320 ( 7.195 -5.475 9.677) 13.244 13.616 ( -6.044 -6.084 1.730) 8.749 13.732 ( -0.932 -9.003 -7.274) 11.612 14.337 ( 5.894 14.967 4.782) 16.781 15.428 ( 1.547 -19.690 8.127) 21.358 17.476 ( 1.532 2.945 1.862) 3.807 17.780 ( -1.309 -4.490 -2.245) 5.188 18.281 ( -5.803 5.896 -2.038) 8.520 18.651 ( -2.040 -7.958 -17.923) 19.716 18.938 ( 8.739 9.512 -3.586) 13.405 19.446 ( 17.797 5.008 -3.128) 18.751 20.428 ( -11.325 13.252 4.840) 18.091 21.015 ( -3.085 -23.065 -3.892) 23.594 21.914 ( 2.381 0.830 5.548) 6.095 22.968 ( -16.598 -1.084 2.294) 16.791 23.199 ( -0.964 0.951 -0.631) 1.494 23.349 ( -0.766 3.185 2.584) 4.172 24.559 ( 15.013 -2.453 3.298) 15.566 24.769 ( 0.220 2.388 -2.829) 3.709======================= Grid point 17 (15/96) =======================q-point: (-0.26 -0.03 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( -10.706 8.421 -0.038) 13.621 2.177 ( -3.571 -10.712 1.730) 11.423 2.633 ( 5.340 11.514 -10.650) 16.568 2.831 ( 8.769 19.422 -3.186) 21.547 2.960 ( 1.949 6.870 -5.576) 9.060 3.244 ( 12.390 4.695 -7.217) 15.088 3.529 ( 1.400 -5.303 -14.297) 15.313 3.754 ( 3.086 4.994 7.035) 9.163 3.974 ( -5.313 -4.743 -1.443) 7.267 4.294 ( 9.678 -6.584 -1.911) 11.860 4.513 ( 10.827 -2.966 -7.817) 13.680 4.603 ( 4.204 -9.048 -0.502) 9.989 4.846 ( 13.723 3.204 -6.607) 15.564 4.975 ( -0.369 -1.430 -0.894) 1.726 5.004 ( -4.948 -3.678 6.566) 9.007 5.121 ( 1.187 7.460 4.354) 8.719 5.357 ( -3.875 4.132 12.636) 13.847 5.471 ( 2.967 -4.576 -5.772) 7.941 5.892 ( 1.828 6.804 0.650) 7.076 6.017 ( 20.795 -0.140 -3.454) 21.081 6.170 ( -3.123 -4.772 -8.251) 10.030 6.437 ( -7.110 0.857 5.722) 9.166 6.563 ( -2.097 4.415 -6.952) 8.498 6.687 ( -0.544 -1.321 1.604) 2.148 7.048 ( 4.581 -3.851 -7.776) 9.813 7.277 ( -3.972 5.617 -5.400) 8.746 7.331 ( -4.472 4.743 3.750) 7.521 7.571 ( -6.074 -12.356 -5.393) 14.786 8.503 ( 3.539 8.882 -3.728) 10.262 8.532 ( -0.140 0.090 18.555) 18.556 8.904 ( -5.696 1.202 7.435) 9.443 9.079 ( -11.250 7.529 -6.423) 14.983 9.462 ( -1.302 -10.637 2.627) 11.034 9.760 ( 1.601 0.401 -4.892) 5.163 10.090 ( -4.960 5.773 -0.015) 7.611 10.208 ( -2.680 -9.027 1.009) 9.470 10.404 ( 0.636 -9.197 -4.480) 10.250 10.475 ( -5.846 -1.650 -0.602) 6.104 10.646 ( 7.078 0.922 8.941) 11.441 11.088 ( 11.129 6.248 6.708) 14.419 11.300 ( 1.231 -4.020 -1.569) 4.488 11.560 ( -6.692 5.799 -1.090) 8.922 11.954 ( 5.802 7.006 -0.899) 9.141 12.424 ( -1.910 -0.805 1.125) 2.359 12.555 ( -5.926 -1.937 0.667) 6.270 12.729 ( -7.355 4.262 6.797) 10.884 13.090 ( -2.500 -3.027 12.814) 13.402 13.292 ( 4.716 -4.037 -0.449) 6.225 13.479 ( -6.411 2.028 -1.592) 6.910 13.897 ( 2.550 -10.896 -4.764) 12.162 14.396 ( 2.909 13.502 -1.043) 13.851 15.189 ( -4.160 -8.516 10.207) 13.929 17.468 ( 1.335 2.332 1.644) 3.150 17.796 ( -1.440 -7.623 -1.854) 7.976 18.240 ( -2.559 11.005 -2.763) 11.631 18.906 ( -0.469 -9.704 -11.025) 14.695 19.235 ( 10.130 9.653 -7.524) 15.887 19.764 ( 7.753 2.736 -1.448) 8.348 20.098 ( -8.202 6.499 9.121) 13.882 21.072 ( 1.532 -20.856 -3.455) 21.196 21.856 ( 0.636 7.318 4.618) 8.676 22.585 ( -18.120 -5.889 -3.558) 19.383 23.258 ( -0.580 4.030 4.744) 6.251 23.305 ( 7.334 1.905 0.243) 7.581 24.720 ( 3.925 0.571 0.509) 3.999 24.817 ( 2.192 -1.347 -0.385) 2.601======================= Grid point 18 (16/96) =======================q-point: (-0.40 -0.03 0.60)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( -4.360 3.211 -6.234) 8.257 2.189 ( 11.372 -5.622 2.646) 12.959 2.724 ( -0.243 13.160 -1.379) 13.234 2.901 ( -1.989 11.299 -2.728) 11.793 3.062 ( -2.132 15.904 -1.081) 16.083 3.539 ( -11.025 -1.614 5.177) 12.286 3.688 ( 7.261 6.328 3.760) 10.339 3.793 ( 14.095 1.373 -6.553) 15.604 4.159 ( 2.139 -14.028 2.885) 14.481 4.390 ( -6.059 -7.380 -2.834) 9.961 4.475 ( 1.121 -10.977 1.586) 11.147 4.571 ( -2.819 -13.821 -3.760) 14.598 4.742 ( -12.491 0.528 4.918) 13.435 4.823 ( -5.762 1.069 -6.667) 8.877 4.987 ( 2.238 4.814 4.660) 7.064 5.177 ( -0.936 -1.364 2.697) 3.164 5.391 ( 11.180 4.402 6.885) 13.848 5.709 ( 7.294 7.112 -3.712) 10.843 5.849 ( 3.542 -1.578 5.748) 6.934 6.084 ( -14.100 -2.173 -0.638) 14.281 6.204 ( -7.760 -1.062 -0.726) 7.866 6.363 ( 4.129 -7.707 0.683) 8.770 6.637 ( 3.080 9.038 -3.272) 10.094 6.683 ( 2.415 -0.375 -1.887) 3.088 7.125 ( -7.971 7.636 -2.425) 11.302 7.355 ( 10.262 -2.333 -0.422) 10.532 7.455 ( -7.375 -4.671 4.551) 9.845 7.607 ( 13.553 -1.386 -13.002) 18.832 8.115 ( -2.459 4.115 7.966) 9.297 8.577 ( -1.989 -6.102 2.474) 6.879 8.814 ( -2.560 4.800 1.651) 5.685 9.089 ( 4.264 12.215 -7.234) 14.823 9.430 ( -1.588 -11.970 -0.851) 12.105 9.961 ( 3.670 -5.977 -6.864) 9.814 9.991 ( -7.782 8.782 -4.586) 12.598 10.023 ( -5.841 -2.355 4.652) 7.829 10.327 ( -0.473 5.211 0.458) 5.253 10.520 ( 0.550 -9.203 -1.261) 9.305 10.584 ( 5.133 4.826 7.622) 10.380 11.174 ( 7.303 0.615 11.208) 13.392 11.395 ( 2.975 -1.341 -1.966) 3.810 11.548 ( 2.010 -2.042 -3.579) 4.585 12.021 ( -0.119 7.396 1.444) 7.537 12.387 ( 0.114 0.084 -0.603) 0.619 12.478 ( -3.267 -1.283 -2.825) 4.505 12.579 ( 0.125 -1.636 2.128) 2.687 12.843 ( -3.975 4.275 2.757) 6.455 13.297 ( -4.505 -4.329 -1.490) 6.423 13.505 ( 5.502 3.007 0.044) 6.270 13.956 ( -1.290 -8.135 -0.413) 8.247 14.443 ( -2.993 8.415 -1.017) 8.990 15.007 ( 1.581 -4.662 2.554) 5.546 17.461 ( 0.527 2.432 1.193) 2.760 17.811 ( 0.470 -9.289 -1.220) 9.380 18.277 ( 1.380 13.054 -1.827) 13.254 19.056 ( 1.577 -11.030 -3.546) 11.693 19.502 ( -2.745 7.873 2.423) 8.683 19.731 ( 1.175 1.099 -5.265) 5.505 19.900 ( -2.288 8.665 5.046) 10.285 21.172 ( 5.522 -15.490 1.481) 16.512 21.706 ( -12.645 0.921 -2.970) 13.021 22.555 ( 5.747 -2.756 -5.720) 8.564 23.141 ( -4.039 -0.357 2.909) 4.990 23.434 ( 9.483 5.908 3.805) 11.802 24.666 ( -9.213 0.240 -1.652) 9.363 24.878 ( 4.362 -1.564 2.194) 5.127======================= Grid point 20 (17/96) =======================q-point: ( 0.46 -0.03 -0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 5.871 6.664 -8.368) 12.202 2.426 ( 14.326 -6.087 5.658) 16.562 2.606 ( -15.863 8.651 12.582) 22.018 2.873 ( 1.792 10.878 6.479) 12.787 2.894 ( -9.032 10.931 0.943) 14.211 3.112 ( -9.137 0.084 5.613) 10.724 3.742 ( -4.686 -3.654 7.480) 9.553 3.778 ( 2.499 7.502 5.865) 9.845 4.126 ( -5.782 0.979 6.054) 8.428 4.159 ( 5.884 -5.149 2.827) 8.314 4.398 ( -11.090 -6.344 2.503) 13.019 4.532 ( -11.347 2.513 -0.067) 11.623 4.682 ( 0.156 -8.141 0.657) 8.169 4.826 ( -8.033 6.435 -3.421) 10.846 4.994 ( -4.994 -6.494 -1.629) 8.353 5.110 ( 7.011 -2.110 -1.582) 7.491 5.440 ( 8.996 4.880 1.943) 10.417 5.649 ( -0.345 0.195 8.818) 8.827 5.738 ( -10.539 -3.733 2.449) 11.445 5.898 ( -0.450 3.283 2.919) 4.416 6.162 ( 0.800 14.075 -3.248) 14.467 6.411 ( -0.441 -17.055 -1.007) 17.090 6.606 ( -3.879 -3.373 0.491) 5.164 6.774 ( 2.439 1.713 0.133) 2.984 7.137 ( -1.581 2.484 5.360) 6.115 7.231 ( 3.387 3.620 -4.144) 6.461 7.545 ( 7.465 -0.864 0.010) 7.515 7.872 ( 6.808 -1.436 9.248) 11.573 8.269 ( 1.938 -1.270 -8.784) 9.085 8.429 ( -5.699 11.228 -0.524) 12.602 8.852 ( 4.072 -0.980 -10.240) 11.064 9.302 ( 5.805 5.304 -0.372) 7.871 9.383 ( -4.101 -13.143 0.859) 13.794 9.834 ( 0.054 -4.074 4.818) 6.310 9.900 ( -7.890 -1.136 -3.890) 8.870 10.254 ( 6.215 -0.322 -4.376) 7.608 10.453 ( -0.457 8.567 -8.614) 12.158 10.495 ( 0.283 2.810 1.282) 3.102 10.633 ( 7.009 0.566 -3.572) 7.887 10.962 ( -1.380 4.538 12.119) 13.015 11.426 ( 4.668 -8.315 6.116) 11.328 11.700 ( 7.409 1.119 -1.730) 7.690 11.901 ( -4.344 6.831 5.059) 9.547 12.424 ( 0.905 -0.654 -1.615) 1.963 12.608 ( 0.427 -3.770 -11.210) 11.834 12.621 ( -0.085 -5.118 -6.879) 8.575 12.846 ( -1.059 6.074 -6.441) 8.916 13.249 ( 0.396 -4.970 1.611) 5.239 13.606 ( 4.384 1.868 0.404) 4.783 13.896 ( -4.181 -4.845 0.304) 6.407 14.289 ( -9.470 5.568 2.314) 11.226 15.158 ( 7.573 -3.659 -5.347) 9.966 17.441 ( -0.401 2.686 0.782) 2.826 17.853 ( 1.708 -8.660 -0.049) 8.826 18.359 ( 5.406 11.044 0.170) 12.297 19.099 ( 2.611 -9.149 4.953) 10.726 19.169 ( -10.431 -5.179 6.684) 13.428 19.649 ( -10.305 10.602 7.059) 16.384 20.098 ( 11.016 15.573 -11.474) 22.260 21.200 ( 3.355 -8.524 4.346) 10.140 21.613 ( -7.139 -13.889 -8.885) 17.967 22.866 ( 0.433 6.412 -9.783) 11.705 23.008 ( 4.749 -12.257 4.518) 13.900 23.534 ( 10.452 11.272 5.606) 16.363 24.457 ( -15.085 -0.715 -1.839) 15.213 24.879 ( 0.651 -0.095 2.799) 2.875======================= Grid point 21 (18/96) =======================q-point: ( 0.31 -0.03 -0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( -13.456 10.424 25.700) 30.826 1.837 ( -18.699 9.005 16.606) 26.581 2.128 ( -7.269 11.610 0.347) 13.702 2.697 ( 7.005 1.279 3.887) 8.113 2.895 ( -3.572 3.628 9.085) 10.414 2.982 ( -15.896 20.434 31.844) 41.040 3.301 ( 8.621 4.055 -11.075) 14.609 3.871 ( 3.245 -5.272 -1.844) 6.460 4.001 ( 0.277 5.268 3.151) 6.145 4.050 ( -12.416 0.782 -1.704) 12.557 4.219 ( 6.321 2.652 8.941) 11.266 4.337 ( -3.388 0.900 4.180) 5.455 4.540 ( -2.427 -2.841 5.404) 6.570 4.787 ( -3.727 1.206 -3.029) 4.952 4.998 ( -1.416 -3.102 -3.694) 5.027 5.231 ( 3.830 -2.699 -0.239) 4.692 5.415 ( -4.326 0.282 -0.186) 4.339 5.508 ( -6.111 -2.249 2.472) 6.965 5.712 ( 2.443 1.889 -0.424) 3.117 5.962 ( 10.047 -7.782 2.475) 12.947 6.200 ( 0.973 19.288 2.062) 19.422 6.326 ( 4.890 -3.731 8.725) 10.675 6.609 ( -1.645 -5.792 -3.802) 7.121 6.821 ( -3.712 -1.448 6.118) 7.301 6.920 ( -0.738 -11.047 -2.427) 11.335 7.507 ( 7.551 6.914 -6.527) 12.142 7.671 ( 5.245 -0.450 -1.364) 5.438 7.774 ( 4.724 0.357 7.073) 8.513 8.332 ( -3.527 12.086 -7.740) 14.779 8.447 ( -3.439 4.842 -4.096) 7.215 9.088 ( -12.259 -10.788 -12.913) 20.819 9.243 ( -0.940 -1.953 6.169) 6.539 9.363 ( 2.993 3.508 2.013) 5.032 9.791 ( -5.511 -2.733 0.010) 6.151 9.829 ( 0.687 -3.683 -0.688) 3.809 10.242 ( -0.018 0.940 7.032) 7.095 10.487 ( 1.288 -3.551 0.984) 3.903 10.578 ( 3.305 0.321 0.889) 3.437 10.767 ( 2.377 3.067 7.303) 8.270 10.990 ( 6.847 12.818 -11.408) 18.475 11.510 ( 6.683 0.297 -6.529) 9.348 11.714 ( -4.695 4.414 4.456) 7.834 11.894 ( 9.964 2.956 -3.315) 10.909 12.486 ( 1.140 -4.115 -2.500) 4.948 12.692 ( -8.329 -5.952 -9.314) 13.840 12.855 ( -4.914 -4.314 -15.577) 16.894 13.047 ( 6.905 -1.240 -7.368) 10.173 13.272 ( 7.503 -1.351 3.836) 8.534 13.616 ( -2.187 -0.424 1.459) 2.663 13.812 ( -2.782 -0.394 0.905) 2.952 14.026 ( -13.628 4.974 1.562) 14.591 15.376 ( 4.433 -8.836 -2.230) 10.135 17.429 ( -0.493 3.438 -0.699) 3.543 17.856 ( 0.913 -6.070 2.321) 6.563 18.461 ( 5.861 6.191 1.840) 8.722 18.835 ( -8.625 -0.624 4.004) 9.530 19.056 ( 5.091 -6.650 11.563) 14.277 19.317 ( -6.780 -2.629 8.650) 11.300 20.553 ( 14.220 22.902 -10.938) 29.092 21.177 ( 1.396 -8.202 1.841) 8.521 21.738 ( 3.157 -15.053 -7.073) 16.929 22.689 ( -20.441 -11.585 -5.496) 24.130 23.312 ( 14.162 5.330 -1.767) 15.235 23.643 ( 10.252 9.706 3.846) 14.632 24.173 ( -16.481 -1.133 -1.464) 16.584 24.809 ( -1.429 1.741 3.141) 3.865======================= Grid point 22 (19/96) =======================q-point: (-0.24 -0.04 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.561 ( 0.000 -18.885 -26.879) 32.850 1.584 ( 0.000 -8.935 -31.651) 32.888 2.094 ( 0.000 -10.734 8.463) 13.669 2.785 ( -0.000 0.449 -4.998) 5.018 2.805 ( 0.000 -29.029 -38.930) 48.561 2.870 ( 0.000 -3.721 -9.700) 10.389 3.501 ( -0.000 0.902 7.949) 8.000 3.717 ( -0.000 7.653 3.900) 8.589 3.910 ( -0.000 11.064 3.338) 11.556 4.105 ( 0.000 -11.390 1.641) 11.508 4.256 ( 0.000 -4.981 -6.189) 7.945 4.314 ( 0.000 -1.398 -6.838) 6.979 4.547 ( 0.000 -3.730 -5.736) 6.842 4.745 ( 0.000 -5.003 0.018) 5.003 4.999 ( -0.000 7.330 5.240) 9.010 5.266 ( -0.000 4.076 1.952) 4.519 5.379 ( -0.000 2.160 3.613) 4.210 5.400 ( 0.000 -4.896 -2.614) 5.551 5.752 ( 0.000 -1.330 -1.489) 1.996 6.077 ( -0.000 17.792 -6.743) 19.027 6.217 ( 0.000 -16.248 -3.298) 16.580 6.464 ( -0.000 14.058 5.862) 15.231 6.625 ( 0.000 -6.743 -17.431) 18.690 6.663 ( -0.000 2.159 1.782) 2.799 6.927 ( -0.000 10.236 9.313) 13.839 7.597 ( 0.000 -4.459 7.317) 8.569 7.705 ( -0.000 11.313 1.919) 11.475 7.859 ( 0.000 -18.645 3.104) 18.901 8.274 ( 0.000 -5.385 0.740) 5.436 8.402 ( 0.000 -12.417 -0.312) 12.421 8.900 ( -0.000 8.598 5.857) 10.403 9.254 ( 0.000 -0.197 -6.268) 6.271 9.391 ( 0.000 -3.900 -0.968) 4.018 9.725 ( -0.000 2.871 -2.836) 4.036 9.852 ( -0.000 6.594 1.075) 6.681 10.242 ( 0.000 -2.644 -7.701) 8.142 10.493 ( 0.000 -1.142 -1.327) 1.751 10.622 ( -0.000 3.248 0.166) 3.252 10.784 ( 0.000 -4.875 -4.685) 6.762 11.082 ( 0.000 -9.013 8.492) 12.383 11.592 ( 0.000 -5.878 12.733) 14.024 11.660 ( 0.000 -5.317 -5.795) 7.864 12.039 ( 0.000 -0.994 5.431) 5.521 12.502 ( -0.000 4.406 2.560) 5.096 12.518 ( -0.000 4.915 13.938) 14.779 12.815 ( -0.000 4.469 10.249) 11.182 13.121 ( -0.000 10.533 6.606) 12.434 13.410 ( 0.000 -3.093 -5.104) 5.968 13.635 ( 0.000 -2.929 -3.737) 4.748 13.663 ( 0.000 -3.146 2.554) 4.053 13.897 ( 0.000 -0.203 -5.712) 5.715 15.424 ( -0.000 8.965 0.216) 8.968 17.424 ( 0.000 -3.741 0.578) 3.786 17.865 ( -0.000 5.658 -2.227) 6.080 18.526 ( 0.000 -5.042 -2.003) 5.425 18.737 ( -0.000 2.139 -3.121) 3.784 19.102 ( 0.000 -15.503 -11.233) 19.145 19.270 ( -0.000 29.617 -8.273) 30.750 20.741 ( 0.000 -23.316 14.525) 27.471 21.160 ( -0.000 4.051 5.377) 6.732 21.859 ( -0.000 7.207 3.893) 8.191 22.383 ( -0.000 23.046 0.085) 23.047 23.504 ( 0.000 -17.479 -2.599) 17.671 23.716 ( -0.000 0.245 3.271) 3.280 23.988 ( -0.000 0.333 -1.773) 1.804 24.790 ( 0.000 -2.189 -3.286) 3.948======================= Grid point 23 (20/96) =======================q-point: (-0.39 -0.04 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( -6.290 -9.098 10.030) 14.931 2.301 ( 12.292 -3.292 -24.652) 27.742 2.372 ( 21.002 -11.161 -19.796) 30.944 2.785 ( -5.322 1.509 -4.993) 7.452 2.964 ( 0.358 3.006 -0.962) 3.177 3.143 ( -12.688 -0.604 2.624) 12.970 3.513 ( 7.347 -4.949 -15.553) 17.898 3.899 ( -1.630 1.236 -4.607) 5.041 4.048 ( 8.861 -4.159 -1.850) 9.962 4.098 ( 7.671 3.364 -6.881) 10.840 4.326 ( -1.922 -6.119 -0.860) 6.471 4.408 ( -0.851 -0.980 -2.931) 3.205 4.622 ( 6.251 -4.934 -3.133) 8.558 4.751 ( -2.705 2.889 -0.150) 3.960 4.920 ( 2.256 5.964 3.528) 7.287 5.230 ( -3.341 1.259 -0.686) 3.636 5.377 ( 9.901 0.002 3.307) 10.438 5.565 ( 8.488 -6.364 -0.537) 10.623 5.680 ( -4.335 -0.385 -0.946) 4.454 6.040 ( -12.345 7.882 -6.789) 16.143 6.255 ( -5.850 -12.418 -1.996) 13.871 6.384 ( 1.330 16.129 -0.011) 16.184 6.546 ( 1.096 2.934 1.897) 3.662 6.773 ( 3.522 2.450 3.627) 5.618 7.068 ( 4.163 5.180 -6.785) 9.497 7.358 ( -7.081 -7.007 7.202) 12.292 7.619 ( 0.119 3.688 5.349) 6.498 7.955 ( -2.396 -7.304 -10.496) 13.010 8.220 ( 4.852 -12.920 3.367) 14.205 8.451 ( -7.075 -0.115 -2.544) 7.519 8.858 ( 5.158 4.879 9.547) 11.897 9.307 ( 1.856 3.052 -0.853) 3.673 9.379 ( -1.873 -3.510 0.620) 4.027 9.814 ( 1.262 4.964 -2.053) 5.518 9.857 ( -1.438 8.460 -3.557) 9.289 10.347 ( -3.329 -4.292 2.693) 6.063 10.424 ( 1.561 -14.052 11.335) 18.121 10.534 ( -2.655 2.123 -4.221) 5.420 10.771 ( -6.819 -5.246 9.073) 12.504 10.932 ( 1.961 -4.720 -9.366) 10.670 11.519 ( -4.036 11.421 -6.948) 13.964 11.796 ( 1.242 -3.832 -2.987) 5.015 11.895 ( -7.470 -4.421 -3.373) 9.312 12.422 ( 4.915 2.483 6.768) 8.725 12.466 ( 7.544 1.559 8.937) 11.799 12.623 ( 0.725 3.596 9.035) 9.751 12.912 ( -6.018 2.470 7.109) 9.636 13.343 ( -8.546 4.407 -2.524) 9.941 13.645 ( 0.528 -1.713 -1.823) 2.556 13.791 ( 6.705 -3.083 2.703) 7.859 14.096 ( 8.821 -0.733 -4.596) 9.973 15.299 ( -6.021 2.810 5.152) 8.408 17.435 ( 0.194 -2.901 -1.346) 3.204 17.878 ( -0.854 7.370 0.150) 7.420 18.475 ( -5.716 -8.016 0.526) 9.859 18.937 ( 9.840 6.352 -6.604) 13.446 19.212 ( -6.062 11.814 -3.876) 13.832 19.465 ( 8.006 -9.024 -8.563) 14.794 20.314 ( -10.496 -23.054 13.703) 28.800 21.148 ( 8.020 3.321 4.785) 9.912 21.634 ( -8.599 16.409 3.964) 18.945 22.650 ( 13.729 12.370 -0.949) 18.504 23.296 ( -16.411 -1.555 -0.128) 16.485 23.707 ( -4.977 -11.470 -2.998) 12.858 24.152 ( 14.265 1.050 0.936) 14.334 24.871 ( 1.045 -0.281 -3.331) 3.502======================= Grid point 24 (21/96) =======================q-point: (-0.53 -0.04 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.474 ( -1.840 -7.716 12.295) 14.632 2.516 ( -19.047 6.020 -3.879) 20.349 2.732 ( -0.686 -6.811 -0.350) 6.854 2.795 ( 6.989 -5.127 2.968) 9.162 3.062 ( -1.525 -10.915 -2.997) 11.421 3.275 ( 13.329 -2.888 -10.819) 17.408 3.873 ( -2.784 -2.685 -8.133) 9.006 3.926 ( 9.739 2.314 -5.758) 11.547 4.067 ( -9.603 7.729 4.229) 13.032 4.317 ( 4.528 0.807 -8.296) 9.486 4.395 ( 10.251 7.625 4.834) 13.660 4.483 ( 8.674 -0.271 -0.043) 8.678 4.632 ( -7.664 5.384 4.853) 10.549 4.779 ( 1.896 0.660 1.232) 2.355 5.009 ( 5.594 -5.576 -3.397) 8.598 5.146 ( -4.622 6.561 -5.060) 9.487 5.495 ( 3.187 2.955 -2.766) 5.152 5.687 ( 6.524 3.795 -0.068) 7.548 5.832 ( 11.754 -2.557 0.214) 12.031 6.056 ( -9.880 -7.721 -10.739) 16.509 6.111 ( -6.393 -5.491 -0.354) 8.435 6.352 ( 0.961 16.667 4.834) 17.381 6.614 ( 4.612 4.258 -0.285) 6.283 6.764 ( -0.634 -4.640 1.423) 4.894 7.086 ( -3.620 -11.761 4.476) 13.094 7.294 ( 5.444 6.311 -4.706) 9.572 7.528 ( -4.084 1.920 0.962) 4.614 7.909 ( -13.531 -0.397 10.086) 16.882 8.105 ( -2.542 -1.863 2.168) 3.825 8.460 ( 8.198 -6.700 -2.821) 10.957 8.821 ( -3.864 -1.124 -6.975) 8.053 9.221 ( -6.551 -5.479 9.952) 13.114 9.372 ( 3.857 6.668 1.636) 7.875 9.823 ( 5.692 -4.571 7.411) 10.403 9.957 ( 1.409 6.399 -7.512) 9.969 10.030 ( -1.753 -2.812 10.579) 11.086 10.349 ( -3.243 -5.995 0.968) 6.884 10.533 ( -0.663 8.395 0.954) 8.475 10.685 ( -4.302 -3.268 -9.730) 11.129 11.223 ( 3.309 -3.937 -12.752) 13.750 11.488 ( -8.190 6.607 2.786) 10.886 11.678 ( -9.518 2.579 -2.301) 10.126 11.992 ( 2.241 -6.842 -3.780) 8.132 12.398 ( 4.949 -1.564 4.934) 7.162 12.402 ( -0.622 -1.022 2.612) 2.873 12.591 ( 0.695 4.037 -0.802) 4.174 12.748 ( 3.885 -5.464 3.728) 7.671 13.250 ( -1.181 5.815 2.013) 6.266 13.622 ( -5.488 -1.923 -1.270) 5.952 13.884 ( 6.420 1.843 1.122) 6.773 14.332 ( 7.563 -2.645 -1.554) 8.162 15.084 ( -5.668 1.800 2.111) 6.311 17.470 ( -0.380 -2.420 -2.100) 3.226 17.831 ( -1.294 8.885 1.954) 9.189 18.337 ( -4.650 -11.459 2.211) 12.563 19.110 ( -3.904 12.053 3.470) 13.136 19.318 ( 12.275 6.642 -8.730) 16.462 19.785 ( 5.458 -15.664 -4.552) 17.201 19.881 ( -7.691 -11.102 8.596) 16.010 21.266 ( 3.730 -0.925 -2.293) 4.475 21.449 ( 4.321 20.189 7.810) 22.074 22.696 ( -4.966 -11.338 7.967) 14.720 23.125 ( -4.427 14.010 -7.544) 16.516 23.627 ( -9.471 -8.859 -3.999) 13.571 24.427 ( 14.751 0.133 1.393) 14.817 24.931 ( -1.142 1.215 -2.652) 3.132======================= Grid point 25 (22/96) =======================q-point: ( 0.33 -0.04 -0.53)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.372 ( 11.520 -7.578 6.805) 15.377 2.253 ( -11.563 5.890 -3.784) 13.517 2.688 ( -1.392 -7.749 3.002) 8.426 2.816 ( 6.275 -7.542 6.179) 11.595 2.983 ( -1.174 -16.705 5.509) 17.629 3.530 ( -15.745 -1.381 12.643) 20.240 3.577 ( 4.693 9.618 3.625) 11.299 3.887 ( -12.391 -8.830 -11.469) 19.054 4.042 ( -12.291 1.764 7.210) 14.358 4.396 ( -2.023 0.808 8.729) 8.996 4.459 ( 12.218 8.945 -3.505) 15.542 4.603 ( 2.353 15.103 -7.507) 17.030 4.808 ( 6.587 9.837 -3.298) 12.289 4.851 ( 11.536 2.878 -5.766) 13.214 5.139 ( -2.313 -6.702 -10.194) 12.417 5.210 ( -7.870 -0.208 -0.851) 7.919 5.468 ( -10.148 -2.890 -1.675) 10.683 5.620 ( -11.723 -5.207 3.993) 13.434 5.909 ( -0.355 0.189 0.293) 0.497 6.056 ( 5.559 2.585 2.601) 6.660 6.180 ( 10.727 9.868 4.176) 15.162 6.386 ( 6.314 0.659 -2.571) 6.850 6.526 ( -14.383 -8.592 4.631) 17.382 6.687 ( 0.960 -1.888 -2.096) 2.980 7.077 ( 7.183 -7.861 2.507) 10.939 7.200 ( -5.977 6.580 17.639) 19.752 7.442 ( -7.438 -1.046 0.262) 7.516 7.494 ( -1.197 7.226 -0.073) 7.324 8.385 ( 9.133 -3.161 -15.533) 18.294 8.610 ( -0.311 -3.059 -0.950) 3.218 8.873 ( 3.379 -12.325 10.813) 16.741 8.915 ( -2.749 -1.417 -7.112) 7.755 9.408 ( 3.493 4.581 0.860) 5.825 9.771 ( 3.055 -6.100 10.196) 12.268 9.913 ( 7.262 -1.776 2.857) 8.003 10.148 ( 3.078 10.987 -4.749) 12.359 10.417 ( 0.692 1.636 -1.816) 2.540 10.433 ( -1.898 5.030 2.172) 5.798 10.808 ( -8.157 -0.771 -14.222) 16.414 11.222 ( -4.331 11.087 5.670) 13.185 11.438 ( 1.645 -2.988 -4.789) 5.880 11.522 ( -13.909 -4.712 -2.751) 14.941 12.046 ( -3.079 -8.816 -1.787) 9.508 12.375 ( 2.796 0.761 0.350) 2.919 12.482 ( 2.713 -2.646 -1.568) 4.101 12.592 ( 5.157 -5.643 -0.421) 7.656 12.963 ( 9.539 3.082 -7.638) 12.603 13.250 ( 6.829 3.833 3.119) 8.429 13.502 ( -7.074 -1.705 0.479) 7.293 13.938 ( -0.552 8.412 1.454) 8.554 14.398 ( 2.170 -11.603 2.923) 12.160 15.117 ( 3.059 6.433 -7.999) 10.711 17.494 ( -1.286 -2.062 -2.155) 3.248 17.781 ( 0.076 7.733 1.714) 7.921 18.231 ( -1.501 -10.852 2.190) 11.172 18.923 ( -2.117 9.931 10.097) 14.319 19.427 ( -9.256 -14.817 7.274) 18.924 19.746 ( 8.102 6.206 -4.284) 11.068 20.008 ( 2.382 -5.480 -5.813) 8.337 21.175 ( -8.283 20.768 1.399) 22.403 21.686 ( 18.342 -6.398 -1.488) 19.483 22.413 ( -1.701 -8.524 8.682) 12.285 23.233 ( -0.815 6.270 -5.927) 8.666 23.501 ( -10.001 -3.245 -3.171) 10.982 24.635 ( 8.975 -1.174 1.567) 9.186 24.921 ( -4.768 2.285 -2.153) 5.709======================= Grid point 26 (23/96) =======================q-point: ( 0.19 -0.04 -0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.618 ( 15.252 -17.900 -1.947) 23.597 2.189 ( -7.836 6.577 2.914) 10.637 2.411 ( -7.443 -3.166 8.263) 11.563 2.720 ( -20.409 -1.905 7.676) 21.888 2.911 ( 4.608 -9.834 -1.224) 10.929 3.128 ( -2.928 -11.422 5.533) 13.025 3.257 ( 2.269 4.609 11.816) 12.885 3.901 ( -2.603 8.210 -0.622) 8.635 3.985 ( -0.265 -4.852 -7.769) 9.163 4.295 ( -1.582 -11.729 1.257) 11.902 4.354 ( -33.508 -4.398 2.756) 33.907 4.580 ( -7.158 12.772 2.492) 14.852 4.722 ( -12.190 -2.587 4.713) 13.323 4.931 ( 3.183 -1.121 1.722) 3.788 5.134 ( 2.931 1.642 -5.800) 6.702 5.235 ( -3.267 1.460 -3.740) 5.176 5.378 ( -0.249 6.457 4.278) 7.750 5.592 ( -0.918 -2.201 -11.053) 11.307 5.873 ( -1.278 -7.723 3.477) 8.565 5.927 ( -12.928 0.523 5.961) 14.246 5.991 ( -6.064 0.416 6.983) 9.257 6.408 ( 9.367 -2.386 2.812) 10.067 6.579 ( -1.577 0.385 -3.465) 3.826 6.746 ( -3.664 -0.553 -4.084) 5.514 6.917 ( 4.004 5.870 5.521) 8.998 7.117 ( 6.717 -4.232 8.884) 11.915 7.442 ( 4.597 1.039 -5.669) 7.372 7.526 ( 4.340 9.561 -0.195) 10.502 8.417 ( 1.584 -17.824 4.697) 18.500 8.853 ( -5.359 3.044 -13.677) 15.001 8.949 ( 13.601 -5.468 5.702) 15.729 9.057 ( 1.476 0.581 -7.238) 7.410 9.513 ( 5.916 0.498 -2.055) 6.283 9.706 ( 4.494 2.647 -0.059) 5.216 10.053 ( 3.954 4.807 10.546) 12.245 10.119 ( 5.213 3.779 1.219) 6.553 10.286 ( 2.779 4.193 5.708) 7.608 10.523 ( -1.620 9.558 -3.766) 10.400 10.853 ( -12.941 0.550 -11.565) 17.365 11.192 ( -15.529 -7.909 0.611) 17.438 11.308 ( 6.433 4.855 -5.164) 9.572 11.541 ( 7.412 -5.448 1.595) 9.336 11.951 ( -7.336 -7.201 -0.375) 10.287 12.441 ( 2.070 1.306 -0.650) 2.532 12.551 ( 8.601 1.292 0.784) 8.732 12.896 ( 9.298 -10.834 -10.079) 17.476 13.226 ( -0.926 5.089 -0.409) 5.189 13.359 ( 2.763 2.972 -7.414) 8.452 13.441 ( 9.477 3.619 2.211) 10.382 13.775 ( -6.331 11.220 7.174) 14.745 14.392 ( -0.195 -16.981 -0.319) 16.985 15.393 ( 4.696 13.321 -9.740) 17.157 17.509 ( -1.729 -2.207 -2.429) 3.710 17.758 ( 0.903 4.391 1.951) 4.889 18.216 ( 0.899 -6.318 -1.456) 6.545 18.642 ( -0.909 7.166 15.641) 17.228 19.118 ( -9.589 -12.847 4.322) 16.603 19.747 ( -11.016 -1.832 0.420) 11.175 20.244 ( 8.165 -4.438 -5.734) 10.920 21.006 ( -2.958 26.294 3.135) 26.645 21.951 ( -0.420 -12.948 -4.957) 13.870 22.497 ( 25.127 -2.733 4.949) 25.755 23.246 ( -3.460 -0.768 1.300) 3.775 23.419 ( -6.122 3.692 -6.167) 9.441 24.715 ( 1.837 -2.535 0.756) 3.220 24.825 ( -8.072 2.715 -0.878) 8.561======================= Grid point 27 (24/96) =======================q-point: ( 0.04 -0.04 -0.24)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( -27.855 -12.929 0.000) 30.709 1.744 ( -21.991 -25.108 0.000) 33.377 2.265 ( -0.914 -5.485 0.000) 5.561 2.341 ( -0.499 14.668 -0.000) 14.677 2.795 ( -6.499 -0.917 0.000) 6.563 3.160 ( -39.819 -26.747 0.000) 47.968 3.354 ( 20.744 -18.551 0.000) 27.829 3.577 ( 3.852 -15.679 0.000) 16.146 3.892 ( 1.060 11.211 -0.000) 11.261 4.086 ( -0.561 -6.334 0.000) 6.359 4.327 ( -2.274 -2.057 0.000) 3.067 4.367 ( -14.509 -5.603 0.000) 15.554 4.442 ( -5.202 21.878 -0.000) 22.488 5.044 ( -7.486 -11.067 0.000) 13.361 5.047 ( 6.214 1.827 -0.000) 6.477 5.151 ( -18.447 2.422 0.000) 18.605 5.345 ( 2.004 6.023 -0.000) 6.348 5.498 ( -3.033 5.671 -0.000) 6.431 5.804 ( -1.799 -9.833 0.000) 9.996 5.820 ( 0.245 -4.508 0.000) 4.515 5.887 ( -0.230 -3.170 0.000) 3.178 6.342 ( -15.442 -16.260 0.000) 22.424 6.572 ( 8.739 4.620 -0.000) 9.885 6.762 ( -1.085 9.923 -0.000) 9.982 7.113 ( 7.984 -7.510 0.000) 10.961 7.140 ( 13.042 6.455 -0.000) 14.552 7.609 ( 5.453 12.102 -0.000) 13.274 7.652 ( 5.407 2.041 -0.000) 5.779 8.478 ( 5.495 -22.859 0.000) 23.511 8.879 ( -6.353 6.282 -0.000) 8.934 8.990 ( -6.852 3.445 -0.000) 7.669 9.125 ( 10.109 -3.473 0.000) 10.689 9.685 ( 8.982 -4.105 0.000) 9.876 9.863 ( -2.875 12.510 -0.000) 12.836 10.021 ( 12.203 4.825 -0.000) 13.122 10.088 ( -2.898 7.778 -0.000) 8.301 10.333 ( -20.504 14.101 -0.000) 24.885 10.449 ( 12.385 -4.493 0.000) 13.175 10.825 ( -10.058 -3.634 0.000) 10.694 10.939 ( 2.369 -2.790 0.000) 3.660 11.535 ( 10.702 -11.307 0.000) 15.569 11.770 ( 15.071 0.470 -0.000) 15.078 11.792 ( -8.764 -3.407 0.000) 9.403 12.492 ( 2.386 4.944 -0.000) 5.490 12.769 ( 11.752 4.662 -0.000) 12.643 13.073 ( -5.107 0.122 0.000) 5.108 13.220 ( 8.453 -17.320 0.000) 19.273 13.411 ( -14.228 9.152 -0.000) 16.918 13.615 ( 7.081 0.115 -0.000) 7.082 13.664 ( 8.260 18.791 -0.000) 20.527 14.398 ( 0.062 -17.354 0.000) 17.354 15.529 ( -5.311 29.454 -0.000) 29.929 17.496 ( -2.181 -2.643 0.000) 3.427 17.762 ( 1.462 2.446 -0.000) 2.849 18.272 ( 0.824 -1.238 0.000) 1.487 18.416 ( 1.148 -0.074 -0.000) 1.151 18.904 ( -8.120 -11.993 0.000) 14.483 19.415 ( -19.773 -4.264 0.000) 20.228 20.476 ( 10.886 -12.557 0.000) 16.619 20.975 ( 2.588 25.226 -0.000) 25.358 21.971 ( -1.403 -3.234 0.000) 3.525 23.010 ( 28.009 -4.298 -0.000) 28.337 23.145 ( -3.105 -5.126 0.000) 5.993 23.409 ( -3.537 7.008 -0.000) 7.850 24.602 ( -14.855 4.112 -0.000) 15.414 24.733 ( 0.120 -3.940 0.000) 3.942======================= Grid point 28 (25/96) =======================q-point: (-0.10 -0.04 -0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.272 ( -25.700 -16.275 -20.474) 36.668 1.441 ( -23.040 -21.790 -22.926) 39.131 2.184 ( -2.273 -17.281 -2.563) 17.618 2.335 ( -32.551 -25.549 -18.597) 45.367 2.643 ( 6.363 -7.561 -1.791) 10.043 2.787 ( -2.019 -6.152 -6.851) 9.427 3.540 ( 9.540 -3.614 11.944) 15.708 3.903 ( 12.263 -6.813 -3.261) 14.403 4.007 ( -2.715 -2.253 3.666) 5.088 4.046 ( 2.651 4.416 -4.287) 6.701 4.111 ( -2.500 -6.048 3.741) 7.538 4.265 ( -5.756 1.267 -2.935) 6.584 4.426 ( -1.788 11.202 -5.719) 12.704 4.837 ( -8.049 -2.902 1.893) 8.763 5.003 ( 0.611 -4.227 -4.108) 5.926 5.221 ( 4.939 4.426 -2.041) 6.939 5.380 ( 0.847 3.608 -3.206) 4.900 5.480 ( -3.113 4.712 -0.829) 5.708 5.671 ( -8.962 -2.667 -3.037) 9.831 5.913 ( 4.236 0.789 -2.993) 5.246 6.043 ( 5.854 -13.388 -16.518) 22.054 6.200 ( 0.368 -17.158 1.542) 17.231 6.652 ( -3.671 11.573 0.708) 12.162 6.717 ( -1.760 7.193 -1.161) 7.496 7.124 ( 8.680 3.563 13.985) 16.841 7.528 ( 14.584 -10.994 -4.489) 18.807 7.682 ( 1.702 14.613 -1.875) 14.831 7.728 ( 7.973 -3.022 3.027) 9.048 8.491 ( 0.650 -18.859 6.998) 20.126 8.593 ( -7.223 1.570 10.763) 13.057 9.068 ( -1.481 1.892 -11.103) 11.360 9.305 ( 2.630 -2.331 -1.726) 3.915 9.407 ( -21.183 15.001 19.418) 32.417 9.813 ( -6.229 1.855 1.998) 6.799 9.859 ( -0.802 -0.666 1.709) 2.002 10.119 ( -1.713 1.151 -5.213) 5.607 10.386 ( 6.126 12.959 -9.973) 17.462 10.590 ( -3.255 -4.316 3.171) 6.267 10.668 ( 4.849 -3.772 -2.988) 6.831 11.082 ( 5.169 -0.733 -0.950) 5.307 11.637 ( -5.662 -7.374 -1.558) 9.426 11.759 ( 19.457 -18.388 15.149) 30.760 11.992 ( 12.650 0.693 5.518) 13.819 12.522 ( 1.508 6.124 1.166) 6.414 12.817 ( -2.523 7.591 4.254) 9.060 13.081 ( -2.315 6.332 5.567) 8.743 13.179 ( 6.185 -0.364 1.053) 6.284 13.282 ( 2.348 -8.318 8.336) 12.008 13.617 ( -6.690 8.514 3.605) 11.412 13.759 ( 1.750 1.093 -3.613) 4.161 14.098 ( -20.725 -8.460 11.759) 25.285 15.343 ( -5.789 23.975 -7.585) 25.804 17.453 ( -0.778 -3.746 1.280) 4.034 17.804 ( 1.026 4.565 -2.409) 5.263 18.415 ( 6.325 -4.080 -2.780) 8.024 18.743 ( 7.862 12.111 -22.161) 26.450 18.784 ( -6.735 -4.702 -2.084) 8.474 19.128 ( -13.417 -3.708 -8.870) 16.506 20.724 ( 19.355 -21.230 6.784) 29.519 21.099 ( 5.647 16.934 -5.210) 18.595 21.880 ( -0.404 8.535 6.514) 10.745 22.880 ( -17.029 3.723 14.423) 22.625 23.349 ( 6.461 -4.241 1.223) 7.825 23.560 ( 17.373 -5.085 -4.459) 18.642 24.213 ( -19.318 2.328 2.697) 19.644 24.754 ( -1.193 -3.126 -2.494) 4.173======================= Grid point 29 (26/96) =======================q-point: ( 0.34 -0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.911 ( -0.000 21.068 14.100) 25.351 2.036 ( -0.000 28.091 14.822) 31.761 2.183 ( 0.000 -1.954 1.342) 2.371 2.775 ( 0.000 -0.553 4.154) 4.190 3.019 ( -0.000 12.553 -5.053) 13.532 3.270 ( 0.000 -17.381 -1.531) 17.448 3.472 ( -0.000 31.395 23.121) 38.990 3.555 ( 0.000 -7.988 -9.312) 12.269 3.864 ( -0.000 3.241 -0.851) 3.351 4.325 ( -0.000 4.398 9.109) 10.115 4.356 ( -0.000 6.655 6.313) 9.173 4.395 ( -0.000 13.410 -1.234) 13.467 4.648 ( -0.000 5.776 0.401) 5.790 4.823 ( -0.000 0.460 0.534) 0.705 4.865 ( 0.000 -5.749 -8.959) 10.645 5.182 ( 0.000 -4.343 1.348) 4.547 5.314 ( 0.000 -2.759 -2.546) 3.754 5.486 ( 0.000 -3.665 10.309) 10.941 5.733 ( -0.000 1.559 1.561) 2.206 5.895 ( 0.000 -0.630 0.750) 0.979 6.151 ( 0.000 -15.072 -6.910) 16.581 6.408 ( -0.000 7.670 -0.123) 7.671 6.609 ( 0.000 -2.917 1.046) 3.099 6.784 ( 0.000 -4.844 -10.763) 11.803 6.906 ( -0.000 17.116 10.200) 19.925 7.500 ( 0.000 -10.581 4.289) 11.417 7.638 ( 0.000 -0.047 -4.980) 4.980 8.095 ( -0.000 5.873 -3.094) 6.638 8.238 ( 0.000 -4.544 5.883) 7.434 8.687 ( 0.000 -12.231 -3.977) 12.861 8.770 ( -0.000 19.935 -11.287) 22.909 9.207 ( 0.000 -5.739 10.072) 11.592 9.487 ( -0.000 5.225 1.239) 5.370 9.699 ( -0.000 1.088 -1.463) 1.824 9.727 ( 0.000 -5.238 -5.322) 7.467 10.301 ( -0.000 3.983 5.926) 7.141 10.368 ( 0.000 -10.646 8.036) 13.338 10.638 ( 0.000 -0.452 3.325) 3.356 10.902 ( -0.000 6.389 5.718) 8.574 11.055 ( 0.000 -6.505 -0.506) 6.525 11.794 ( -0.000 7.828 5.550) 9.596 11.823 ( -0.000 11.986 -31.183) 33.407 12.075 ( -0.000 2.840 0.030) 2.840 12.379 ( 0.000 -9.096 -11.332) 14.531 12.417 ( 0.000 -4.184 -1.863) 4.580 12.708 ( 0.000 -5.604 -9.125) 10.709 12.898 ( 0.000 -11.113 -6.767) 13.011 13.425 ( 0.000 -2.125 2.968) 3.650 13.654 ( 0.000 -1.391 6.119) 6.275 13.755 ( -0.000 4.649 -2.463) 5.261 13.928 ( -0.000 4.268 2.757) 5.081 15.248 ( 0.000 -7.677 7.102) 10.458 17.519 ( -0.000 5.477 -1.236) 5.615 17.738 ( 0.000 -6.278 1.197) 6.391 18.668 ( -0.000 9.121 4.016) 9.965 18.764 ( -0.000 4.885 -2.651) 5.558 18.843 ( 0.000 -15.297 9.636) 18.079 19.438 ( -0.000 17.869 12.479) 21.795 20.796 ( 0.000 -16.282 6.497) 17.530 21.029 ( 0.000 -9.359 -9.430) 13.286 21.699 ( 0.000 -7.937 1.212) 8.029 22.268 ( -0.000 10.901 -20.313) 23.054 23.692 ( 0.000 -2.383 -0.945) 2.564 23.735 ( -0.000 6.971 2.443) 7.386 23.977 ( 0.000 -0.851 2.428) 2.573 24.849 ( -0.000 3.674 1.088) 3.831======================= Grid point 30 (27/96) =======================q-point: ( 0.20 -0.06 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.686 ( 9.381 23.083 7.472) 26.012 1.938 ( 9.157 23.866 16.138) 30.230 2.126 ( -5.717 -9.589 3.372) 11.662 2.717 ( 1.232 2.053 3.444) 4.194 3.033 ( -6.947 19.768 -0.874) 20.971 3.163 ( 28.630 37.408 8.183) 47.812 3.541 ( 4.548 -1.328 -5.729) 7.434 3.801 ( -2.959 -10.603 -2.505) 11.290 3.909 ( 7.185 -7.356 -3.246) 10.783 4.230 ( 5.017 0.847 8.458) 9.871 4.249 ( 1.022 17.048 -0.462) 17.085 4.333 ( -6.196 14.858 -0.343) 16.102 4.419 ( -14.872 9.222 5.986) 18.494 4.877 ( 5.562 -0.939 -3.772) 6.786 5.046 ( 3.341 -1.511 -6.084) 7.104 5.124 ( -2.002 -5.089 3.022) 6.248 5.303 ( -2.690 -5.569 5.470) 8.257 5.411 ( 5.335 0.139 2.250) 5.792 5.776 ( 4.087 4.700 -2.455) 6.695 5.895 ( 5.341 2.705 5.545) 8.161 6.128 ( -10.036 -4.546 -3.007) 11.421 6.493 ( 5.306 0.612 -0.359) 5.353 6.563 ( 0.400 -0.597 2.795) 2.886 6.685 ( 1.149 17.494 7.598) 19.108 6.999 ( -6.271 -7.426 -14.240) 17.241 7.403 ( -1.736 -13.354 4.324) 14.144 7.581 ( -5.642 -2.671 6.143) 8.758 7.826 ( -16.437 3.770 1.249) 16.910 8.449 ( 5.295 -8.429 -8.363) 13.001 8.928 ( 4.216 -6.225 4.837) 8.940 8.954 ( 0.004 15.271 -5.221) 16.138 9.105 ( 11.787 -11.424 -11.408) 19.990 9.405 ( -4.044 5.311 3.386) 7.485 9.776 ( 2.975 -2.339 -2.913) 4.776 9.870 ( 3.300 -0.057 -4.589) 5.653 10.090 ( -6.364 -6.521 9.307) 13.025 10.186 ( -2.101 -2.833 7.618) 8.395 10.669 ( 1.012 1.540 -6.718) 6.966 10.760 ( -4.990 6.290 2.756) 8.489 11.046 ( 2.317 -1.507 5.803) 6.428 11.744 ( 0.981 5.857 1.785) 6.201 11.949 ( -14.553 -0.666 -7.443) 16.360 12.077 ( -17.428 8.132 -11.199) 22.255 12.426 ( -1.107 -3.342 -0.811) 3.613 12.642 ( 4.974 -9.631 -2.928) 11.228 12.885 ( 6.632 -12.317 -1.438) 14.062 13.171 ( -10.158 -2.804 1.903) 10.708 13.218 ( 2.636 -11.588 -16.877) 20.642 13.655 ( 2.901 7.375 1.439) 8.055 13.744 ( -3.001 -0.582 2.389) 3.880 14.195 ( 22.797 1.918 -9.879) 24.920 14.999 ( 1.303 -8.700 16.660) 18.840 17.543 ( 0.237 5.177 -0.661) 5.225 17.707 ( -0.781 -4.833 0.229) 4.901 18.512 ( -5.650 2.968 9.257) 11.244 18.573 ( -2.790 -1.567 7.412) 8.074 18.957 ( 9.330 11.115 -4.857) 15.303 19.329 ( 11.520 14.471 9.842) 20.952 20.604 ( -4.904 -26.526 6.414) 27.728 21.023 ( -16.108 6.511 -3.295) 17.684 21.662 ( 4.012 -13.710 -5.336) 15.249 22.917 ( 11.637 4.992 -19.491) 23.243 23.359 ( -17.243 -0.737 -0.404) 17.263 23.684 ( -8.326 6.263 9.077) 13.818 24.160 ( 18.164 -3.035 -1.021) 18.444 24.840 ( 0.562 5.280 0.815) 5.372======================= Grid point 31 (28/96) =======================q-point: ( 0.06 -0.06 0.34)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.846 ( 4.579 -0.463 -0.000) 4.603 2.050 ( 24.354 10.010 -0.000) 26.331 2.082 ( 11.289 -1.247 -0.000) 11.358 2.591 ( -15.955 17.602 -0.000) 23.757 2.851 ( -2.668 8.393 -0.000) 8.807 3.629 ( -0.516 -4.978 0.000) 5.005 3.678 ( -4.501 22.083 -0.000) 22.537 3.692 ( -15.626 -6.500 0.000) 16.924 4.019 ( 28.963 30.039 -0.000) 41.727 4.051 ( 2.513 -2.500 0.000) 3.545 4.237 ( -1.986 8.189 -0.000) 8.426 4.424 ( 10.621 9.097 -0.000) 13.985 4.477 ( 13.762 2.783 -0.000) 14.041 4.999 ( -2.007 -3.104 0.000) 3.696 5.001 ( 1.218 -11.642 0.000) 11.706 5.204 ( -3.832 -8.256 0.000) 9.102 5.261 ( 8.639 10.671 -0.000) 13.730 5.534 ( 12.454 7.243 -0.000) 14.407 5.839 ( -0.476 -1.801 0.000) 1.863 5.906 ( 1.751 2.761 -0.000) 3.269 5.966 ( -7.653 0.864 0.000) 7.701 6.523 ( -1.851 -0.633 0.000) 1.957 6.575 ( -2.400 -5.914 0.000) 6.383 6.685 ( 10.238 13.554 -0.000) 16.986 7.025 ( -11.440 -1.142 0.000) 11.497 7.172 ( -8.892 -2.624 0.000) 9.271 7.398 ( -4.775 -10.043 0.000) 11.120 7.616 ( -6.434 -1.067 0.000) 6.521 8.692 ( 8.356 -10.823 0.000) 13.674 8.870 ( 5.225 -9.141 0.000) 10.529 8.968 ( -5.508 24.777 -0.000) 25.381 9.208 ( -9.694 3.573 -0.000) 10.332 9.540 ( 7.795 -16.670 0.000) 18.403 9.756 ( -7.152 -0.628 0.000) 7.180 9.934 ( 3.031 -7.520 0.000) 8.108 9.939 ( -9.845 0.572 0.000) 9.861 10.102 ( 10.006 -11.438 0.000) 15.197 10.565 ( -11.263 6.767 -0.000) 13.139 10.928 ( 8.161 6.910 -0.000) 10.694 10.967 ( 5.068 0.772 -0.000) 5.126 11.594 ( -14.828 -1.299 0.000) 14.885 11.757 ( -13.069 -0.941 0.000) 13.103 12.022 ( 7.021 16.118 -0.000) 17.581 12.424 ( 0.650 -2.164 0.000) 2.259 12.650 ( -5.983 -7.148 0.000) 9.321 13.033 ( 3.578 -7.013 0.000) 7.873 13.162 ( 9.710 -12.386 0.000) 15.738 13.324 ( -6.137 -16.424 0.000) 17.533 13.566 ( -8.122 16.197 -0.000) 18.119 13.612 ( -7.028 0.092 0.000) 7.029 14.714 ( 2.992 14.804 -0.000) 15.103 14.946 ( 16.331 -27.273 0.000) 31.789 17.564 ( 1.490 4.086 -0.000) 4.349 17.701 ( -0.875 -3.463 0.000) 3.571 18.310 ( -1.859 2.769 -0.000) 3.335 18.442 ( -3.794 2.173 -0.000) 4.373 19.195 ( 9.748 16.997 -0.000) 19.594 19.537 ( 17.001 8.044 -0.000) 18.808 20.430 ( -5.022 -28.787 0.000) 29.221 20.716 ( -16.639 11.592 -0.000) 20.279 21.903 ( 12.081 -9.934 0.000) 15.641 23.006 ( -19.041 -7.868 0.000) 20.603 23.304 ( -2.295 10.443 -0.000) 10.693 23.332 ( -3.154 2.207 -0.000) 3.850 24.517 ( 15.372 -4.332 0.000) 15.970 24.832 ( -0.686 5.734 -0.000) 5.775======================= Grid point 32 (29/96) =======================q-point: (-0.09 -0.06 0.49)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.926 ( -3.844 -2.194 3.301) 5.522 1.941 ( -5.262 -0.799 8.668) 10.172 2.671 ( 8.657 10.055 -20.427) 24.358 2.730 ( 27.220 7.842 -7.724) 29.361 2.962 ( -2.311 -1.230 -11.679) 11.969 3.296 ( -17.366 3.293 -3.007) 17.929 3.471 ( -11.207 18.704 -4.491) 22.262 3.692 ( 2.370 -12.274 -3.715) 13.041 4.124 ( 1.355 9.136 8.533) 12.574 4.163 ( 12.054 -7.982 5.340) 15.412 4.449 ( -0.468 0.009 5.894) 5.912 4.530 ( 1.808 -4.736 3.284) 6.040 4.793 ( 9.841 7.089 -5.895) 13.485 5.015 ( -1.707 4.306 1.525) 4.877 5.073 ( 9.625 1.188 3.276) 10.236 5.197 ( 10.954 -4.227 -3.997) 12.403 5.417 ( 8.076 12.054 -0.606) 14.522 5.613 ( -2.709 0.725 7.143) 7.674 5.828 ( -4.580 -10.952 -2.378) 12.107 5.917 ( -0.112 -3.915 -2.664) 4.736 6.051 ( 9.367 8.443 -6.303) 14.098 6.412 ( -12.905 -6.446 -0.247) 14.427 6.560 ( 0.122 5.098 -5.322) 7.371 6.735 ( -1.313 -5.896 -0.763) 6.088 6.978 ( 4.195 13.644 0.137) 14.276 7.141 ( -2.951 -4.737 -7.266) 9.162 7.315 ( -0.657 -6.031 -0.158) 6.069 7.454 ( -8.694 -1.543 2.502) 9.178 8.728 ( 3.124 3.697 7.519) 8.943 8.762 ( -0.257 3.030 8.691) 9.208 9.041 ( 0.793 -1.063 -1.074) 1.706 9.101 ( -8.760 5.323 -4.706) 11.279 9.450 ( 2.496 -1.531 7.916) 8.440 9.675 ( -6.229 -5.650 1.456) 8.535 9.881 ( 1.481 -3.276 -12.103) 12.625 10.042 ( -3.631 -6.545 -7.308) 10.461 10.269 ( 5.271 -4.687 2.762) 7.575 10.354 ( -8.016 0.214 -2.674) 8.453 10.903 ( 9.779 4.818 11.349) 15.737 11.198 ( -8.979 -5.661 9.158) 14.019 11.320 ( 10.489 5.290 -4.325) 12.518 11.589 ( -10.479 0.056 -4.517) 11.411 12.178 ( 9.380 13.214 2.345) 16.373 12.430 ( -1.404 -1.068 2.055) 2.708 12.539 ( -2.369 1.550 -2.236) 3.607 12.924 ( -12.537 -13.789 7.436) 20.065 13.137 ( 4.234 2.360 4.692) 6.746 13.271 ( 1.574 -6.644 8.864) 11.189 13.494 ( -6.009 8.554 -6.166) 12.137 13.590 ( 1.254 -7.374 -7.045) 10.275 14.718 ( 2.757 15.684 3.317) 16.266 15.071 ( -0.112 -17.878 4.145) 18.353 17.569 ( 1.040 3.835 2.134) 4.510 17.668 ( -0.879 -4.464 0.926) 4.643 18.360 ( -1.343 7.872 -5.023) 9.434 18.498 ( -0.006 -7.150 -10.108) 12.381 19.408 ( 12.303 15.492 -0.926) 19.805 19.778 ( 1.971 -0.048 -1.180) 2.298 20.357 ( -9.530 4.036 2.889) 10.745 20.498 ( 0.835 -19.375 -4.914) 20.006 22.114 ( 14.900 1.346 5.442) 15.919 22.516 ( -23.828 0.019 3.103) 24.029 23.289 ( 5.635 -0.984 -0.613) 5.753 23.351 ( -3.532 1.877 -1.082) 4.144 24.741 ( 8.941 -2.811 1.377) 9.473 24.800 ( -3.351 3.149 -0.675) 4.648======================= Grid point 33 (30/96) =======================q-point: (-0.23 -0.06 -0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.578 ( -7.993 13.699 -1.522) 15.933 2.075 ( 14.883 -12.013 3.976) 19.535 2.849 ( -16.943 6.806 -8.694) 20.223 3.049 ( -5.375 13.093 -10.918) 17.875 3.291 ( 1.879 7.268 -8.332) 11.215 3.447 ( 6.699 -6.426 -11.770) 14.990 3.535 ( 6.599 6.577 -7.641) 12.049 3.845 ( 7.817 -13.724 1.822) 15.899 4.076 ( 9.293 2.854 1.377) 9.819 4.217 ( -0.801 -14.218 6.025) 15.463 4.273 ( -9.483 -11.883 8.153) 17.251 4.359 ( 11.997 0.773 5.903) 13.393 4.809 ( -10.957 1.898 1.327) 11.199 4.855 ( -8.632 7.801 1.760) 11.767 5.119 ( -7.183 -7.365 3.664) 10.920 5.297 ( 9.644 5.894 4.061) 12.010 5.554 ( 1.787 6.006 -4.425) 7.671 5.626 ( -10.950 -6.668 3.580) 13.311 5.842 ( 7.314 -1.880 -0.776) 7.591 5.862 ( 0.602 -12.309 -5.999) 13.706 6.200 ( -4.738 4.875 -2.030) 7.095 6.362 ( -1.297 -0.241 0.505) 1.412 6.640 ( -2.057 2.410 -1.067) 3.343 6.786 ( 5.363 4.375 -4.317) 8.157 7.095 ( -0.441 1.647 -11.719) 11.842 7.222 ( -5.100 -1.731 -0.343) 5.397 7.304 ( 6.081 -2.944 -3.375) 7.552 7.476 ( 10.095 -0.943 -3.481) 10.720 8.451 ( -8.519 3.405 10.665) 14.068 8.662 ( 6.406 0.601 14.488) 15.853 8.935 ( -2.078 5.998 3.006) 7.023 9.092 ( -1.886 0.428 -6.062) 6.363 9.427 ( 1.989 10.872 0.072) 11.053 9.698 ( 1.258 -13.402 -2.550) 13.701 10.002 ( -6.607 5.442 -8.436) 12.018 10.084 ( -7.686 5.283 -0.998) 9.380 10.251 ( 1.952 -7.849 -5.072) 9.547 10.416 ( 4.936 -1.386 3.081) 5.982 10.857 ( 3.906 2.859 8.992) 10.212 10.993 ( 6.757 -10.012 -1.231) 12.141 11.450 ( -8.113 -1.977 0.078) 8.351 11.606 ( 11.970 3.141 2.090) 12.550 12.226 ( -2.294 6.229 4.303) 7.911 12.347 ( 1.668 -1.389 0.436) 2.214 12.569 ( 1.858 5.961 5.134) 8.084 12.619 ( -2.520 -3.481 5.032) 6.617 12.982 ( -8.116 6.893 1.808) 10.801 13.166 ( -3.914 -4.712 0.141) 6.127 13.567 ( 3.765 5.168 -2.767) 6.968 13.757 ( 3.954 -9.742 -2.122) 10.726 14.642 ( -7.580 11.787 1.934) 14.147 14.955 ( 2.594 -8.782 4.580) 10.239 17.554 ( 1.013 4.059 1.503) 4.445 17.642 ( -0.095 -6.244 0.138) 6.246 18.458 ( 0.479 12.020 -5.914) 13.405 18.711 ( 1.971 -11.686 -8.213) 14.419 19.603 ( -14.572 -7.031 3.895) 16.642 19.720 ( 12.953 10.492 -4.987) 17.400 20.177 ( -5.223 14.065 -1.435) 15.072 20.712 ( 9.803 -23.687 -2.190) 25.729 21.878 ( -22.850 10.791 5.411) 25.843 22.467 ( 19.502 -2.708 1.829) 19.774 23.198 ( -9.857 2.660 1.342) 10.297 23.505 ( 11.364 -2.880 -0.914) 11.759 24.669 ( -9.624 2.233 -0.120) 9.880 24.864 ( 4.911 -3.144 1.072) 5.929======================= Grid point 34 (31/96) =======================q-point: (-0.37 -0.06 -0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 5.475 12.754 -8.500) 16.276 2.349 ( 20.005 -10.106 4.409) 22.842 2.754 ( -11.774 -0.678 -12.257) 17.009 3.039 ( -11.765 11.610 7.199) 18.029 3.147 ( -8.314 -1.916 1.975) 8.758 3.492 ( -7.251 16.486 7.557) 19.532 3.654 ( -14.274 -12.639 -0.362) 19.069 3.874 ( 3.422 -10.919 -7.343) 13.596 4.060 ( 5.513 2.729 4.604) 7.683 4.186 ( 3.044 -4.728 3.733) 6.750 4.380 ( 8.182 -7.092 1.405) 10.919 4.471 ( -1.924 -5.910 -0.695) 6.254 4.533 ( 4.190 11.893 -0.495) 12.619 4.782 ( -9.750 -2.895 -1.081) 10.229 4.982 ( 0.381 -4.260 -4.908) 6.510 5.169 ( -4.516 3.888 8.557) 10.427 5.468 ( 1.185 3.711 -2.458) 4.606 5.662 ( -8.708 0.556 -2.015) 8.955 5.838 ( -1.676 -6.150 -0.691) 6.411 6.002 ( -4.741 -8.261 -3.533) 10.159 6.141 ( 3.369 -3.461 -3.800) 6.146 6.256 ( 2.980 7.068 13.689) 15.691 6.510 ( -5.760 -3.876 0.285) 6.949 6.874 ( -8.812 3.061 -2.154) 9.574 7.232 ( -2.510 -0.962 -0.005) 2.688 7.264 ( 6.915 7.361 -4.665) 11.125 7.463 ( 7.134 -3.912 1.568) 8.286 7.909 ( 14.593 -0.489 -10.178) 17.798 8.167 ( -1.211 3.533 3.620) 5.201 8.548 ( 2.845 2.780 4.897) 6.309 8.860 ( -2.677 2.057 2.567) 4.241 9.195 ( 2.359 -4.213 -2.592) 5.480 9.462 ( 0.933 10.645 0.117) 10.687 9.692 ( -1.958 -11.196 0.269) 11.369 9.869 ( -7.714 -0.888 2.583) 8.183 10.190 ( 5.863 6.433 -8.442) 12.125 10.355 ( 3.876 -7.997 -0.281) 8.891 10.535 ( 4.364 11.034 -10.190) 15.641 10.768 ( 0.777 6.223 5.621) 8.421 11.192 ( 5.431 -9.913 12.246) 16.665 11.368 ( -1.482 -3.954 -9.284) 10.199 11.657 ( 8.983 0.868 9.566) 13.151 12.102 ( -3.199 2.655 0.875) 4.248 12.410 ( 0.559 0.203 -2.659) 2.725 12.452 ( -3.176 3.551 2.955) 5.606 12.505 ( -0.427 -3.337 3.653) 4.966 12.887 ( -5.964 8.052 -3.304) 10.550 13.128 ( 1.460 -5.741 -0.712) 5.966 13.681 ( 4.063 3.995 -0.049) 5.699 13.807 ( 0.507 -5.432 0.222) 5.460 14.391 ( -12.937 2.300 0.985) 13.177 15.054 ( 8.513 -0.594 -1.291) 8.631 17.537 ( 0.115 3.860 1.462) 4.129 17.672 ( 1.795 -6.397 -1.179) 6.748 18.582 ( 2.800 13.263 -3.143) 13.915 18.862 ( 2.885 -13.250 -2.396) 13.770 19.199 ( -16.070 -4.755 4.287) 17.298 19.935 ( -1.750 1.269 0.843) 2.320 20.284 ( 9.561 26.256 -8.902) 29.326 20.935 ( 13.504 -25.202 1.206) 28.617 21.371 ( -20.169 4.154 1.717) 20.664 22.879 ( 20.567 2.724 -1.428) 20.796 22.902 ( -14.460 -4.019 3.675) 15.452 23.735 ( 11.146 1.936 0.557) 11.326 24.428 ( -15.062 0.319 -0.322) 15.069 24.904 ( 1.284 -1.407 1.056) 2.178======================= Grid point 35 (32/96) =======================q-point: ( 0.49 -0.06 -0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.963 ( 7.620 2.628 -3.193) 8.670 2.378 ( -9.237 7.116 18.525) 21.889 2.553 ( -3.694 6.141 9.615) 11.991 2.800 ( -4.710 1.888 -3.001) 5.895 2.994 ( -11.187 7.724 -0.688) 13.612 3.126 ( 2.256 -1.659 -1.458) 3.157 3.528 ( -10.605 -7.950 -5.296) 14.273 3.861 ( -1.923 -2.350 4.045) 5.058 4.036 ( -3.637 11.057 10.740) 15.838 4.295 ( 10.116 4.504 -0.077) 11.073 4.389 ( 4.231 6.106 4.788) 8.838 4.469 ( 0.266 1.392 3.366) 3.652 4.612 ( 4.597 -3.787 -4.461) 7.442 4.736 ( -4.282 -3.676 -2.532) 6.186 4.850 ( -7.582 4.597 3.406) 9.499 5.178 ( 6.714 -4.311 0.885) 8.028 5.399 ( -15.163 2.574 -3.257) 15.721 5.651 ( 5.840 1.035 0.807) 5.986 5.831 ( 0.850 6.851 12.707) 14.461 5.877 ( -0.704 -3.241 -0.341) 3.334 6.027 ( -3.100 -12.341 -2.222) 12.917 6.351 ( 2.802 -3.506 -8.389) 9.514 6.531 ( 1.624 2.948 -0.368) 3.386 6.710 ( -7.179 -4.937 -3.253) 9.300 7.109 ( -1.787 7.536 7.486) 10.772 7.473 ( 3.431 2.507 -6.535) 7.795 7.534 ( 1.468 -4.312 -0.003) 4.555 8.092 ( 8.465 5.693 9.645) 14.039 8.280 ( 4.819 -4.036 -0.711) 6.326 8.578 ( -1.552 7.500 -6.500) 10.046 8.750 ( -7.120 -3.552 -2.279) 8.277 9.274 ( 4.037 -1.211 1.396) 4.440 9.475 ( 1.477 6.056 0.418) 6.248 9.673 ( -0.758 -8.378 -1.300) 8.512 9.737 ( -4.452 -2.187 -0.214) 4.965 10.358 ( 3.641 0.402 2.866) 4.651 10.428 ( 4.568 -4.666 2.268) 6.913 10.702 ( 0.749 5.276 2.299) 5.803 10.949 ( 8.018 0.724 2.302) 8.373 11.028 ( 1.358 10.556 -8.240) 13.460 11.301 ( -0.585 -5.020 0.130) 5.056 11.846 ( 7.187 0.803 -2.347) 7.603 12.005 ( 0.587 6.038 4.164) 7.359 12.378 ( -6.407 -2.063 -3.012) 7.374 12.408 ( -6.506 -3.960 -4.651) 8.924 12.546 ( 0.615 -3.439 -6.782) 7.629 12.836 ( -4.684 -4.571 -4.636) 8.021 13.277 ( 12.535 -1.893 1.489) 12.764 13.706 ( 0.160 3.538 1.027) 3.688 13.807 ( -1.180 -1.009 -0.063) 1.553 14.119 ( -12.648 1.306 1.367) 12.788 15.239 ( 6.363 -2.871 -0.514) 7.000 17.513 ( -0.076 4.528 0.671) 4.578 17.729 ( 1.531 -6.630 -0.585) 6.829 18.670 ( 3.366 11.534 0.611) 12.030 18.856 ( -7.475 -4.189 2.330) 8.880 18.933 ( 0.291 -10.746 2.477) 11.031 19.732 ( -6.215 12.857 9.219) 16.997 20.664 ( 8.600 7.726 -8.154) 14.147 21.054 ( -8.595 -7.197 1.769) 11.349 21.295 ( 20.091 -10.957 -5.409) 23.515 22.474 ( -24.934 -3.680 -1.743) 25.264 23.325 ( 20.964 0.624 -0.873) 20.991 23.890 ( 6.257 6.243 2.495) 9.185 24.121 ( -16.268 -1.839 -0.846) 16.393 24.883 ( -0.720 0.942 1.274) 1.740======================= Grid point 36 (33/96) =======================q-point: (-0.07 -0.07 0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.696 ( -0.000 0.000 -35.873) 35.873 0.783 ( -0.000 0.000 -40.379) 40.379 1.296 ( -0.000 0.000 -65.638) 65.638 2.040 ( 0.000 -0.000 2.679) 2.679 2.687 ( -0.000 0.000 -4.685) 4.685 2.744 ( -0.000 0.000 -4.404) 4.404 3.639 ( 0.000 -0.000 7.870) 7.870 3.807 ( 0.000 -0.000 0.364) 0.364 4.044 ( 0.000 -0.000 3.565) 3.565 4.151 ( -0.000 0.000 -1.747) 1.747 4.171 ( -0.000 0.000 -2.666) 2.666 4.274 ( 0.000 -0.000 12.485) 12.485 4.330 ( -0.000 0.000 -8.155) 8.155 4.733 ( 0.000 -0.000 1.269) 1.269 5.174 ( 0.000 -0.000 2.956) 2.956 5.321 ( 0.000 -0.000 0.325) 0.325 5.325 ( -0.000 0.000 -1.557) 1.557 5.478 ( 0.000 -0.000 3.064) 3.064 5.595 ( -0.000 0.000 -22.312) 22.312 5.892 ( 0.000 -0.000 3.588) 3.588 6.040 ( -0.000 0.000 -10.940) 10.940 6.654 ( 0.000 -0.000 2.214) 2.214 6.708 ( 0.000 -0.000 5.996) 5.996 6.778 ( 0.000 -0.000 3.447) 3.447 7.037 ( -0.000 0.000 -4.338) 4.338 7.448 ( 0.000 -0.000 5.987) 5.987 7.768 ( 0.000 -0.000 6.212) 6.212 7.944 ( -0.000 0.000 -2.774) 2.774 8.189 ( 0.000 -0.000 8.713) 8.713 8.232 ( -0.000 0.000 -3.949) 3.949 8.939 ( -0.000 0.000 -8.327) 8.327 9.199 ( 0.000 -0.000 0.094) 0.094 9.314 ( -0.000 0.000 -2.169) 2.169 9.710 ( -0.000 0.000 -0.823) 0.823 9.928 ( 0.000 -0.000 0.715) 0.715 10.097 ( -0.000 0.000 -3.771) 3.771 10.466 ( 0.000 -0.000 0.987) 0.987 10.672 ( -0.000 0.000 -2.246) 2.246 10.834 ( -0.000 0.000 -1.866) 1.866 10.971 ( 0.000 -0.000 7.725) 7.725 11.511 ( -0.000 0.000 -3.875) 3.875 11.512 ( -0.000 0.000 -0.874) 0.874 12.219 ( 0.000 -0.000 8.747) 8.747 12.626 ( 0.000 -0.000 2.938) 2.938 12.827 ( 0.000 -0.000 11.510) 11.510 13.032 ( 0.000 -0.000 7.069) 7.069 13.235 ( -0.000 0.000 -5.585) 5.585 13.338 ( 0.000 -0.000 3.372) 3.372 13.504 ( -0.000 0.000 -5.186) 5.186 13.677 ( 0.000 -0.000 1.285) 1.285 13.793 ( -0.000 0.000 -4.266) 4.266 15.624 ( 0.000 -0.000 3.649) 3.649 17.399 ( 0.000 -0.000 1.055) 1.055 17.865 ( -0.000 0.000 -2.885) 2.885 18.448 ( -0.000 0.000 -1.632) 1.632 18.669 ( -0.000 0.000 -5.920) 5.920 18.804 ( -0.000 0.000 -2.403) 2.403 19.964 ( 0.000 -0.000 3.626) 3.626 20.320 ( 0.000 -0.000 5.014) 5.014 21.249 ( 0.000 -0.000 1.705) 1.705 22.019 ( 0.000 -0.000 2.949) 2.949 22.881 ( 0.000 -0.000 1.297) 1.297 23.006 ( -0.000 0.000 -4.598) 4.598 23.787 ( 0.000 -0.000 2.881) 2.881 23.961 ( -0.000 0.000 -1.340) 1.340 24.699 ( -0.000 0.000 -2.731) 2.731======================= Grid point 37 (34/96) =======================q-point: (-0.21 -0.07 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.646 ( 6.752 0.000 -25.753) 26.623 1.736 ( 28.156 0.000 -27.203) 39.151 1.982 ( 7.569 0.000 3.331) 8.269 2.673 ( 9.348 0.000 -20.994) 22.981 2.748 ( 10.628 0.000 -30.482) 32.282 2.899 ( 4.792 0.000 -7.689) 9.060 3.254 ( -15.780 -0.000 10.769) 19.104 3.874 ( -10.111 -0.000 -0.128) 10.111 3.931 ( -7.303 -0.000 -1.155) 7.394 4.072 ( 11.677 0.000 -5.186) 12.777 4.205 ( 2.338 0.000 -3.258) 4.010 4.352 ( 5.765 0.000 -3.405) 6.695 4.612 ( 7.093 0.000 -4.923) 8.634 4.721 ( 6.038 0.000 4.388) 7.464 5.035 ( -3.495 -0.000 1.746) 3.907 5.275 ( -2.019 -0.000 0.704) 2.138 5.468 ( 4.737 0.000 3.387) 5.823 5.530 ( 14.320 0.000 1.953) 14.453 5.725 ( -6.830 -0.000 0.964) 6.898 5.855 ( -4.941 0.000 -9.472) 10.683 6.080 ( -21.500 -0.000 -1.934) 21.587 6.337 ( -0.073 0.000 -16.731) 16.731 6.726 ( 3.508 -0.000 5.201) 6.273 6.824 ( 0.475 -0.000 1.859) 1.918 7.171 ( -2.239 0.000 -7.000) 7.349 7.310 ( -3.762 -0.000 0.840) 3.854 7.571 ( -5.850 -0.000 3.680) 6.911 7.972 ( -3.018 -0.000 -2.604) 3.986 8.027 ( 6.309 -0.000 10.125) 11.929 8.447 ( 5.472 0.000 4.188) 6.891 9.186 ( 2.681 -0.000 11.550) 11.858 9.292 ( 15.582 0.000 -3.100) 15.887 9.322 ( -3.132 -0.000 -1.991) 3.712 9.821 ( 6.765 0.000 -0.265) 6.770 9.873 ( -5.815 -0.000 -2.896) 6.496 10.228 ( 2.347 0.000 -6.249) 6.675 10.456 ( 2.193 -0.000 5.182) 5.627 10.702 ( -3.911 0.000 -4.502) 5.964 10.704 ( -2.513 -0.000 15.850) 16.048 10.773 ( -7.360 -0.000 -5.833) 9.391 11.512 ( -3.213 0.000 -7.026) 7.726 11.686 ( 5.235 0.000 -2.617) 5.853 11.860 ( -12.676 -0.000 6.047) 14.044 12.536 ( -1.879 -0.000 4.004) 4.423 12.756 ( 9.641 -0.000 10.787) 14.468 12.898 ( 5.919 -0.000 16.190) 17.238 13.047 ( -14.528 -0.000 4.929) 15.342 13.274 ( -5.351 0.000 -6.444) 8.376 13.659 ( 1.825 0.000 1.354) 2.272 13.805 ( 11.903 0.000 3.192) 12.324 13.961 ( 6.691 0.000 -6.600) 9.399 15.476 ( -4.626 -0.000 7.929) 9.180 17.394 ( 0.807 0.000 0.291) 0.858 17.923 ( -0.194 0.000 -3.277) 3.283 18.398 ( -7.369 -0.000 -0.553) 7.390 18.865 ( 3.368 0.000 -10.388) 10.920 19.007 ( 11.435 0.000 -5.294) 12.601 19.582 ( -19.409 -0.000 -5.795) 20.256 20.165 ( -1.849 -0.000 9.176) 9.360 21.245 ( 2.383 0.000 2.256) 3.281 21.917 ( -1.978 -0.000 4.538) 4.950 22.940 ( 6.550 -0.000 9.471) 11.516 23.141 ( 1.341 0.000 -6.929) 7.058 23.535 ( -16.843 -0.000 -0.616) 16.855 24.184 ( 16.594 0.000 1.691) 16.680 24.792 ( 1.815 0.000 -3.866) 4.271======================= Grid point 38 (35/96) =======================q-point: (-0.36 -0.07 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.615 ( -4.309 -0.000 7.463) 8.617 2.425 ( 0.149 0.000 -8.697) 8.698 2.541 ( 6.004 0.000 -10.121) 11.768 2.743 ( -2.211 0.000 -11.997) 12.199 2.810 ( -5.373 -0.000 3.501) 6.413 3.114 ( 11.875 0.000 -5.340) 13.021 3.662 ( -10.478 -0.000 -1.914) 10.652 3.918 ( 28.927 0.000 -13.656) 31.988 3.994 ( -0.320 0.000 -15.590) 15.594 4.228 ( -8.313 -0.000 0.978) 8.370 4.471 ( 9.750 0.000 -2.798) 10.143 4.514 ( 15.772 0.000 -3.302) 16.114 4.744 ( 0.627 0.000 -0.771) 0.993 4.781 ( 7.336 0.000 5.763) 9.329 5.048 ( 5.741 0.000 5.115) 7.689 5.137 ( -7.938 -0.000 1.477) 8.074 5.416 ( -7.155 -0.000 -5.905) 9.277 5.687 ( -2.195 -0.000 -1.938) 2.928 5.822 ( 5.335 0.000 -6.309) 8.263 5.845 ( -2.171 0.000 -3.771) 4.352 5.914 ( 7.572 0.000 1.152) 7.659 6.597 ( 3.679 0.000 -6.255) 7.256 6.693 ( 1.646 -0.000 5.139) 5.396 6.756 ( -8.644 -0.000 -1.619) 8.794 7.005 ( -3.268 -0.000 8.026) 8.666 7.284 ( -0.246 0.000 -3.828) 3.835 7.519 ( -8.906 -0.000 -5.001) 10.214 7.926 ( -6.263 -0.000 -1.999) 6.574 8.220 ( 16.991 0.000 -5.596) 17.889 8.323 ( -7.033 -0.000 10.247) 12.428 8.869 ( -5.210 -0.000 11.280) 12.425 9.248 ( -7.104 -0.000 0.926) 7.164 9.599 ( 11.906 0.000 -1.462) 11.995 9.812 ( -6.252 -0.000 -0.729) 6.294 9.905 ( 4.641 0.000 1.804) 4.979 10.246 ( 3.920 -0.000 17.900) 18.324 10.319 ( -3.020 -0.000 0.484) 3.059 10.488 ( -4.972 -0.000 -2.733) 5.674 10.660 ( -2.025 -0.000 0.157) 2.031 10.911 ( 1.224 0.000 -12.656) 12.715 11.531 ( -6.612 -0.000 -2.340) 7.014 11.668 ( -7.394 -0.000 -5.642) 9.301 11.828 ( 4.467 0.000 -3.306) 5.557 12.432 ( -1.667 -0.000 2.632) 3.115 12.646 ( 1.249 -0.000 14.416) 14.470 12.723 ( -8.557 -0.000 3.760) 9.347 12.734 ( 7.134 -0.000 8.729) 11.274 13.296 ( -1.497 0.000 -3.009) 3.360 13.595 ( -5.004 -0.000 0.390) 5.019 13.953 ( 9.324 0.000 3.104) 9.828 14.220 ( 5.921 0.000 -6.099) 8.501 15.198 ( -6.878 -0.000 7.196) 9.955 17.415 ( 0.525 0.000 -0.882) 1.027 17.971 ( 0.357 0.000 -1.220) 1.272 18.219 ( -8.493 -0.000 1.297) 8.592 19.164 ( 4.276 0.000 -11.774) 12.526 19.282 ( -1.345 0.000 -5.115) 5.289 19.533 ( 9.608 0.000 -2.249) 9.868 19.913 ( -3.516 -0.000 10.532) 11.104 21.258 ( 1.905 0.000 0.506) 1.972 21.803 ( -0.507 -0.000 4.199) 4.230 22.777 ( 0.385 -0.000 13.639) 13.644 23.275 ( -15.454 -0.000 -7.007) 16.968 23.281 ( -0.262 0.000 -5.731) 5.737 24.465 ( 15.068 0.000 2.102) 15.214 24.881 ( -0.383 0.000 -3.380) 3.402======================= Grid point 39 (36/96) =======================q-point: ( 0.50 -0.07 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.482 ( 6.253 -0.000 7.668) 9.895 2.229 ( -11.173 -0.000 -2.359) 11.419 2.598 ( -2.227 -0.000 -1.822) 2.877 2.789 ( -6.170 -0.000 -0.507) 6.190 2.888 ( 6.484 0.000 3.498) 7.368 3.562 ( 9.682 0.000 -5.044) 10.917 3.570 ( -8.318 -0.000 -7.512) 11.208 3.831 ( -8.170 -0.000 9.670) 12.659 4.272 ( -9.090 -0.000 11.544) 14.694 4.516 ( 14.228 0.000 -1.335) 14.291 4.551 ( 7.769 0.000 -13.352) 15.448 4.685 ( 6.487 -0.000 11.067) 12.828 4.786 ( -1.486 0.000 -4.259) 4.511 4.790 ( 8.137 0.000 -3.076) 8.699 4.993 ( 0.342 0.000 -1.131) 1.181 5.156 ( -1.532 0.000 -3.650) 3.958 5.435 ( -16.600 -0.000 -6.628) 17.874 5.503 ( -10.352 -0.000 1.560) 10.469 5.873 ( -1.176 0.000 -1.882) 2.219 6.153 ( 12.480 0.000 -3.115) 12.863 6.164 ( 16.220 0.000 -1.573) 16.296 6.498 ( -18.151 -0.000 0.988) 18.178 6.544 ( -2.596 -0.000 7.649) 8.078 6.670 ( 1.849 0.000 1.392) 2.315 7.033 ( 12.051 0.000 2.630) 12.335 7.367 ( -12.590 -0.000 -2.065) 12.759 7.495 ( 1.450 0.000 -5.332) 5.525 7.640 ( -7.315 -0.000 12.538) 14.516 8.076 ( 2.441 0.000 -6.246) 6.706 8.642 ( 10.532 0.000 -1.725) 10.672 8.762 ( -0.878 0.000 -3.544) 3.651 8.951 ( -7.788 -0.000 10.076) 12.735 9.647 ( 2.706 -0.000 9.721) 10.091 9.769 ( 6.746 0.000 3.372) 7.542 9.994 ( 2.320 0.000 2.114) 3.139 10.177 ( -1.272 0.000 -3.214) 3.457 10.218 ( 4.727 0.000 -3.993) 6.188 10.517 ( -7.105 0.000 -12.322) 14.224 10.636 ( -0.013 -0.000 3.111) 3.111 11.147 ( -7.163 0.000 -12.323) 14.253 11.425 ( -3.270 -0.000 -0.142) 3.273 11.570 ( -3.662 -0.000 7.564) 8.403 11.936 ( 0.234 0.000 -1.132) 1.155 12.381 ( 0.380 -0.000 0.463) 0.599 12.501 ( 5.716 0.000 5.354) 7.832 12.581 ( -0.866 -0.000 2.287) 2.445 12.811 ( 3.435 0.000 -7.980) 8.688 13.338 ( 4.542 0.000 1.180) 4.693 13.479 ( -6.580 -0.000 -0.317) 6.587 14.054 ( 4.678 0.000 0.634) 4.721 14.341 ( -0.276 -0.000 1.916) 1.936 15.054 ( -0.392 0.000 -3.013) 3.039 17.437 ( -0.544 0.000 -1.329) 1.436 17.971 ( 0.481 -0.000 2.244) 2.295 18.080 ( -2.716 -0.000 0.730) 2.813 19.227 ( -2.014 -0.000 4.292) 4.741 19.332 ( -3.097 -0.000 1.990) 3.681 19.777 ( 2.349 0.000 -4.043) 4.675 19.785 ( 5.241 0.000 -2.077) 5.638 21.298 ( -0.628 0.000 -2.683) 2.756 21.748 ( 2.268 -0.000 3.199) 3.921 22.549 ( 7.259 -0.000 13.722) 15.524 23.199 ( -10.266 -0.000 -10.139) 14.429 23.329 ( -2.904 -0.000 -2.373) 3.751 24.664 ( 8.870 0.000 2.016) 9.096 24.895 ( -4.034 -0.000 -2.546) 4.770======================= Grid point 41 (37/96) =======================q-point: ( 0.36 -0.07 -0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 8.461 0.000 5.379) 10.026 2.322 ( 8.515 0.000 -6.614) 10.782 2.512 ( -11.314 -0.000 14.232) 18.181 2.590 ( -3.805 -0.000 -1.924) 4.264 2.864 ( -1.581 -0.000 3.638) 3.966 3.218 ( -13.334 -0.000 10.276) 16.834 3.577 ( -4.577 -0.000 0.590) 4.615 3.753 ( -6.872 -0.000 5.990) 9.116 3.986 ( 12.054 0.000 2.237) 12.260 4.353 ( -16.559 -0.000 4.173) 17.077 4.491 ( -22.776 -0.000 18.511) 29.350 4.771 ( -2.288 -0.000 -0.834) 2.436 4.801 ( -19.486 -0.000 3.499) 19.797 4.883 ( 2.848 0.000 1.747) 3.341 5.127 ( 7.570 0.000 -1.604) 7.738 5.131 ( 6.729 0.000 -12.376) 14.087 5.296 ( 1.757 0.000 -13.132) 13.249 5.470 ( 6.180 0.000 3.497) 7.101 5.812 ( -8.034 -0.000 -0.228) 8.037 6.040 ( -19.220 -0.000 3.417) 19.521 6.168 ( -8.528 -0.000 8.140) 11.789 6.469 ( 14.091 0.000 3.546) 14.530 6.492 ( -0.572 -0.000 1.734) 1.826 6.726 ( 4.112 0.000 -1.929) 4.542 7.113 ( -0.490 -0.000 2.697) 2.741 7.193 ( -0.683 -0.000 7.796) 7.826 7.273 ( 3.804 0.000 -4.081) 5.578 7.718 ( 7.990 0.000 2.937) 8.513 8.373 ( -10.364 -0.000 9.275) 13.909 8.529 ( 4.736 0.000 -19.789) 20.348 8.907 ( 5.142 0.000 -8.024) 9.530 9.002 ( 13.693 0.000 5.406) 14.722 9.593 ( 6.761 0.000 6.153) 9.142 9.736 ( -2.429 -0.000 0.528) 2.486 10.028 ( 6.097 0.000 -1.088) 6.194 10.325 ( 0.333 0.000 -1.478) 1.515 10.453 ( 4.841 0.000 -8.146) 9.476 10.514 ( 2.473 -0.000 10.140) 10.437 10.680 ( -5.263 0.000 -16.709) 17.518 10.959 ( -22.840 -0.000 -2.532) 22.980 11.417 ( 1.239 -0.000 1.740) 2.136 11.440 ( 6.563 0.000 3.606) 7.489 11.886 ( -4.293 -0.000 0.161) 4.296 12.434 ( 2.595 0.000 -1.900) 3.216 12.598 ( 6.731 0.000 1.037) 6.810 12.650 ( 9.005 0.000 -3.665) 9.722 13.127 ( 2.318 0.000 -15.401) 15.575 13.321 ( -6.527 -0.000 0.977) 6.600 13.474 ( 8.243 0.000 -0.365) 8.251 14.099 ( -1.271 0.000 -1.364) 1.864 14.167 ( -3.738 -0.000 8.957) 9.705 15.277 ( 4.894 0.000 -12.608) 13.524 17.445 ( -1.552 0.000 -1.719) 2.316 17.909 ( 0.529 -0.000 4.797) 4.826 18.094 ( 3.810 0.000 -0.523) 3.845 19.055 ( 1.455 -0.000 13.156) 13.236 19.086 ( -7.215 -0.000 8.006) 10.777 19.734 ( -11.158 -0.000 0.632) 11.176 20.034 ( 4.616 0.000 -10.178) 11.176 21.302 ( -3.848 -0.000 -2.488) 4.583 21.773 ( 5.033 0.000 1.578) 5.275 22.634 ( 23.841 0.000 9.718) 25.745 23.238 ( -7.980 0.000 -12.318) 14.677 23.262 ( -5.006 -0.000 0.966) 5.098 24.713 ( -1.962 -0.000 0.439) 2.011 24.834 ( -4.326 -0.000 -0.284) 4.336======================= Grid point 42 (38/96) =======================q-point: ( 0.21 -0.07 -0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.483 ( -6.025 -0.000 8.528) 10.441 1.733 ( -27.138 -0.000 23.415) 35.843 2.264 ( -19.144 -0.000 -0.387) 19.148 2.548 ( -2.157 -0.000 2.107) 3.015 2.864 ( -7.291 -0.000 7.340) 10.345 3.030 ( -60.916 -0.000 19.354) 63.916 3.074 ( 24.666 0.000 -5.652) 25.305 3.501 ( 14.521 0.000 8.380) 16.765 3.862 ( 0.257 0.000 -11.452) 11.455 4.116 ( 1.031 -0.000 5.342) 5.441 4.306 ( -17.043 -0.000 5.208) 17.821 4.312 ( 3.980 0.000 0.708) 4.043 4.753 ( -6.840 -0.000 -5.467) 8.757 4.866 ( 3.239 -0.000 8.473) 9.071 5.126 ( -24.928 -0.000 -2.566) 25.060 5.253 ( -0.659 -0.000 5.792) 5.830 5.400 ( 9.305 0.000 -3.298) 9.873 5.591 ( 6.679 0.000 1.870) 6.936 5.697 ( -8.812 -0.000 2.464) 9.150 5.790 ( -5.514 -0.000 10.674) 12.014 5.895 ( 6.372 0.000 -4.518) 7.812 6.160 ( -19.880 -0.000 5.305) 20.575 6.664 ( 12.950 0.000 1.814) 13.077 6.835 ( 0.483 0.000 -3.002) 3.041 7.050 ( 0.181 -0.000 4.520) 4.523 7.216 ( 8.448 0.000 0.462) 8.460 7.568 ( 8.159 0.000 -9.280) 12.357 7.821 ( 6.720 0.000 1.668) 6.924 8.183 ( 0.414 -0.000 0.670) 0.787 8.768 ( -6.927 0.000 -12.196) 14.026 9.106 ( 0.696 -0.000 2.921) 3.003 9.132 ( 9.654 0.000 4.073) 10.478 9.667 ( 9.175 0.000 2.484) 9.506 9.796 ( -3.153 0.000 -11.911) 12.321 10.117 ( -3.313 -0.000 -2.472) 4.134 10.230 ( -2.085 -0.000 4.379) 4.850 10.449 ( 8.961 0.000 6.101) 10.840 10.580 ( -11.484 -0.000 1.741) 11.615 10.649 ( -3.537 0.000 -9.123) 9.785 10.871 ( 1.782 0.000 -4.767) 5.089 11.368 ( 0.871 -0.000 2.961) 3.087 11.708 ( 14.900 0.000 -5.873) 16.015 11.787 ( -6.539 -0.000 -0.085) 6.540 12.545 ( 3.687 0.000 -2.590) 4.506 12.810 ( 14.617 0.000 -0.889) 14.644 12.895 ( 3.981 0.000 -6.688) 7.783 13.149 ( -3.162 -0.000 4.031) 5.123 13.377 ( -6.741 0.000 -10.149) 12.183 13.662 ( 5.202 0.000 -0.677) 5.246 13.998 ( 3.064 0.000 0.712) 3.145 14.041 ( -7.341 -0.000 -1.210) 7.440 15.651 ( 3.573 0.000 -16.947) 17.320 17.446 ( -2.053 -0.000 -1.904) 2.800 17.832 ( 1.207 -0.000 4.185) 4.355 18.216 ( 6.896 0.000 -0.309) 6.903 18.775 ( 5.246 -0.000 23.305) 23.888 18.818 ( -6.817 -0.000 4.988) 8.447 19.399 ( -18.200 -0.000 2.704) 18.400 20.264 ( 2.796 0.000 -5.697) 6.346 21.275 ( -1.313 -0.000 -0.462) 1.392 21.878 ( 6.483 0.000 -0.289) 6.489 23.011 ( 27.343 0.000 5.282) 27.849 23.121 ( -5.591 -0.000 2.185) 6.003 23.353 ( -5.176 0.000 -12.789) 13.797 24.584 ( -13.834 -0.000 -4.148) 14.442 24.749 ( -1.246 -0.000 3.521) 3.735======================= Grid point 43 (39/96) =======================q-point: ( 0.07 -0.07 -0.07)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.756 ( -38.035 -0.000 0.000) 38.035 0.839 ( -39.570 -0.000 0.000) 39.570 1.471 ( -73.754 -0.000 0.000) 73.754 2.083 ( -2.855 -0.000 0.000) 2.855 2.408 ( -3.899 -0.000 0.000) 3.899 2.679 ( -4.016 -0.000 0.000) 4.016 3.660 ( 20.572 0.000 -0.000) 20.572 3.667 ( 6.820 0.000 -0.000) 6.820 4.036 ( -1.293 -0.000 0.000) 1.293 4.046 ( 8.694 0.000 -0.000) 8.694 4.048 ( -3.206 -0.000 0.000) 3.206 4.270 ( -7.353 -0.000 0.000) 7.353 4.688 ( -12.858 -0.000 0.000) 12.858 4.723 ( -1.482 -0.000 0.000) 1.482 4.838 ( -7.073 -0.000 0.000) 7.073 5.129 ( 6.297 0.000 -0.000) 6.297 5.392 ( -9.853 -0.000 0.000) 9.853 5.539 ( -3.657 -0.000 0.000) 3.657 5.576 ( 5.122 0.000 -0.000) 5.122 5.651 ( -20.983 -0.000 0.000) 20.983 5.871 ( 7.451 0.000 -0.000) 7.451 6.047 ( 4.347 0.000 -0.000) 4.347 6.841 ( -2.441 -0.000 0.000) 2.441 6.877 ( 8.622 0.000 -0.000) 8.622 7.002 ( -0.110 -0.000 0.000) 0.110 7.403 ( 7.608 0.000 -0.000) 7.608 7.784 ( 4.502 0.000 -0.000) 4.502 7.894 ( 2.384 0.000 -0.000) 2.384 8.250 ( 2.693 0.000 -0.000) 2.693 8.851 ( -3.352 -0.000 0.000) 3.352 8.887 ( -5.443 -0.000 0.000) 5.443 9.239 ( 5.155 0.000 -0.000) 5.155 9.807 ( -9.120 -0.000 0.000) 9.120 9.834 ( 8.983 0.000 -0.000) 8.983 10.087 ( -6.377 -0.000 0.000) 6.377 10.274 ( 7.537 0.000 -0.000) 7.537 10.459 ( 2.116 0.000 -0.000) 2.116 10.584 ( -9.351 -0.000 0.000) 9.351 10.591 ( 6.263 0.000 -0.000) 6.263 10.985 ( 5.023 0.000 -0.000) 5.023 11.390 ( 3.448 0.000 -0.000) 3.448 11.640 ( -7.849 -0.000 0.000) 7.849 12.069 ( 12.914 0.000 -0.000) 12.914 12.634 ( 2.254 0.000 -0.000) 2.254 12.960 ( -2.987 -0.000 0.000) 2.987 13.127 ( 4.207 0.000 -0.000) 4.207 13.143 ( 16.691 0.000 -0.000) 16.691 13.234 ( -12.855 -0.000 0.000) 12.855 13.717 ( 3.357 0.000 -0.000) 3.357 13.864 ( -11.555 -0.000 0.000) 11.555 14.270 ( 9.006 0.000 -0.000) 9.006 16.018 ( 5.035 0.000 -0.000) 5.035 17.428 ( -1.586 -0.000 0.000) 1.586 17.819 ( 1.391 0.000 -0.000) 1.391 18.315 ( 4.927 0.000 -0.000) 4.927 18.429 ( 0.073 0.000 -0.000) 0.073 18.655 ( -4.298 -0.000 0.000) 4.298 18.987 ( -17.503 -0.000 0.000) 17.503 20.356 ( 1.250 0.000 -0.000) 1.250 21.272 ( 0.360 0.000 -0.000) 0.360 22.001 ( 4.575 0.000 -0.000) 4.575 22.998 ( -3.749 -0.000 0.000) 3.749 23.422 ( 7.335 0.000 -0.000) 7.335 23.519 ( 17.011 0.000 -0.000) 17.011 24.342 ( -17.958 -0.000 0.000) 17.958 24.680 ( -0.770 -0.000 0.000) 0.770======================= Grid point 44 (40/96) =======================q-point: ( 0.51 -0.09 0.09)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.981 ( 0.000 -14.486 8.231) 16.661 2.560 ( -0.000 5.238 -8.074) 9.625 2.598 ( -0.000 19.023 -7.696) 20.521 2.791 ( 0.000 -7.507 -2.486) 7.907 2.816 ( -0.000 1.870 2.494) 3.117 3.192 ( -0.000 5.410 -1.449) 5.601 3.329 ( -0.000 4.527 -0.507) 4.555 3.825 ( -0.000 0.430 4.668) 4.687 4.268 ( 0.000 0.198 -11.062) 11.064 4.413 ( 0.000 -8.779 -2.338) 9.085 4.476 ( -0.000 11.543 3.399) 12.033 4.543 ( 0.000 -3.316 2.513) 4.161 4.605 ( 0.000 -2.792 -3.585) 4.544 4.652 ( 0.000 -5.601 -1.166) 5.721 4.771 ( -0.000 6.641 -0.051) 6.641 5.189 ( 0.000 -2.592 3.446) 4.312 5.291 ( -0.000 1.739 -3.251) 3.687 5.587 ( 0.000 -9.711 11.815) 15.293 5.751 ( 0.000 -1.673 6.303) 6.521 5.968 ( -0.000 7.383 1.634) 7.562 6.109 ( -0.000 15.251 -5.966) 16.376 6.373 ( -0.000 3.545 -12.414) 12.910 6.565 ( -0.000 3.699 -4.433) 5.773 6.607 ( 0.000 -0.277 1.421) 1.448 7.165 ( 0.000 -2.889 -0.181) 2.895 7.449 ( 0.000 -5.727 7.517) 9.450 7.476 ( 0.000 -3.173 -4.043) 5.139 8.238 ( 0.000 -8.423 7.000) 10.952 8.276 ( -0.000 1.352 5.142) 5.317 8.477 ( 0.000 -4.269 1.923) 4.683 8.804 ( -0.000 8.527 -14.972) 17.230 9.262 ( 0.000 -3.968 6.782) 7.857 9.493 ( 0.000 -6.505 -0.369) 6.515 9.689 ( -0.000 11.505 -2.624) 11.800 9.726 ( -0.000 5.492 -1.679) 5.743 10.360 ( 0.000 -10.469 12.907) 16.619 10.428 ( -0.000 3.281 -0.553) 3.328 10.708 ( 0.000 -10.223 16.111) 19.081 10.815 ( 0.000 -7.207 -9.007) 11.536 11.069 ( 0.000 -0.763 0.738) 1.062 11.564 ( -0.000 15.369 -22.374) 27.144 11.992 ( -0.000 0.174 0.799) 0.818 12.041 ( 0.000 -4.581 -2.621) 5.278 12.214 ( -0.000 1.605 -0.206) 1.618 12.281 ( 0.000 -2.143 2.227) 3.091 12.514 ( 0.000 -1.142 -2.456) 2.709 12.724 ( -0.000 2.116 2.034) 2.935 13.446 ( 0.000 -1.420 3.739) 4.000 13.700 ( 0.000 -3.802 3.954) 5.485 13.744 ( 0.000 -0.552 -3.265) 3.312 14.027 ( -0.000 3.851 -1.618) 4.177 15.262 ( 0.000 -1.414 4.101) 4.338 17.538 ( 0.000 -2.815 -1.898) 3.396 17.725 ( -0.000 5.238 1.520) 5.454 18.698 ( 0.000 -11.355 2.975) 11.739 18.801 ( -0.000 5.912 -4.541) 7.455 18.960 ( -0.000 13.717 2.536) 13.949 19.797 ( 0.000 -2.858 -2.461) 3.772 20.616 ( 0.000 -22.403 14.370) 26.615 20.754 ( -0.000 1.911 1.018) 2.165 21.663 ( 0.000 -1.318 3.370) 3.619 22.228 ( -0.000 20.819 -15.874) 26.180 23.646 ( 0.000 -2.573 1.313) 2.888 23.782 ( 0.000 -3.402 -1.008) 3.548 24.010 ( -0.000 0.027 1.243) 1.244 24.899 ( -0.000 1.499 -1.376) 2.034======================= Grid point 45 (41/96) =======================q-point: ( 0.37 -0.09 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.695 ( -10.748 -18.526 5.382) 22.084 2.403 ( 1.724 16.277 11.267) 19.871 2.649 ( -6.113 10.004 7.752) 14.055 2.851 ( 5.911 -3.711 8.570) 11.052 3.140 ( 7.190 5.669 -12.760) 15.705 3.266 ( 10.034 11.798 -1.376) 15.549 3.508 ( 9.153 -9.492 -11.273) 17.348 3.789 ( 2.556 8.418 2.243) 9.079 4.175 ( -4.319 12.667 6.699) 14.966 4.399 ( -7.679 6.022 -6.800) 11.894 4.454 ( 1.060 8.697 -0.222) 8.765 4.568 ( 3.699 -1.305 1.962) 4.386 4.645 ( -6.499 1.449 -3.951) 7.743 4.705 ( -1.368 -10.313 -9.931) 14.382 4.814 ( 0.814 6.656 7.433) 10.011 5.155 ( 6.406 2.372 1.362) 6.966 5.347 ( -0.757 -2.404 5.474) 6.026 5.500 ( 12.995 -1.562 4.289) 13.773 5.656 ( 1.682 -2.021 -2.486) 3.619 5.951 ( -2.713 3.402 -0.699) 4.407 6.206 ( 3.024 15.581 -0.301) 15.874 6.441 ( -3.959 -2.101 0.156) 4.485 6.590 ( -4.126 0.368 -2.794) 4.997 6.739 ( 2.465 -1.073 -5.899) 6.483 7.133 ( 0.045 5.226 5.426) 7.534 7.288 ( -1.376 -9.088 6.309) 11.149 7.578 ( -1.659 -2.722 -2.894) 4.305 7.936 ( -12.296 -0.468 9.224) 15.378 8.217 ( 2.378 -4.117 -3.398) 5.844 8.557 ( 7.833 -12.422 -2.555) 14.906 9.038 ( -2.332 -1.383 4.005) 4.837 9.085 ( -1.688 5.569 -4.558) 7.391 9.496 ( -1.197 -4.918 -1.109) 5.181 9.709 ( -0.120 3.670 -1.203) 3.864 9.810 ( 3.318 4.237 -1.803) 5.676 10.064 ( -4.790 -11.767 10.855) 16.710 10.382 ( -2.416 6.451 3.628) 7.786 10.522 ( -2.316 -5.407 -1.748) 6.136 10.920 ( -2.393 3.618 -2.956) 5.250 11.123 ( 6.484 1.473 2.749) 7.195 11.714 ( -19.024 4.892 -11.824) 22.927 11.928 ( -3.048 2.758 -2.019) 4.580 12.056 ( -1.300 1.835 -1.214) 2.555 12.331 ( 5.080 -5.953 -1.385) 7.948 12.391 ( 8.031 -5.346 -2.974) 10.096 12.637 ( 2.513 -4.009 -7.788) 9.112 12.770 ( 1.725 -8.738 -2.838) 9.348 13.199 ( -9.113 -0.323 4.524) 10.180 13.728 ( 7.588 -3.228 3.547) 8.976 13.764 ( -2.492 -0.004 -0.589) 2.560 14.174 ( 9.823 4.635 -2.812) 11.220 15.109 ( -3.398 -2.091 6.366) 7.513 17.578 ( -0.277 -1.843 -2.390) 3.031 17.679 ( -1.119 4.299 1.567) 4.710 18.561 ( -4.062 -9.251 5.376) 11.445 18.836 ( -3.223 11.369 6.668) 13.569 19.041 ( 10.936 10.276 -7.404) 16.734 19.804 ( 5.498 9.756 6.544) 12.970 20.257 ( -7.281 -26.374 11.315) 29.608 20.938 ( 8.259 -3.334 -4.375) 9.923 21.431 ( -9.937 -0.244 -0.795) 9.972 22.729 ( 10.032 7.842 -13.223) 18.357 23.321 ( -18.751 -0.114 -1.449) 18.807 23.890 ( -6.808 -0.172 3.179) 7.516 24.096 ( 18.244 -1.487 0.296) 18.307 24.929 ( 0.331 3.535 -1.004) 3.690======================= Grid point 46 (42/96) =======================q-point: ( 0.23 -0.09 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.484 ( -2.140 -22.457 0.448) 22.563 2.341 ( -1.394 11.835 4.399) 12.703 2.380 ( 10.281 7.849 9.440) 16.013 2.762 ( 1.270 -2.837 6.781) 7.460 3.158 ( -7.174 4.915 1.654) 8.852 3.451 ( -0.663 -1.933 -1.706) 2.662 3.511 ( -7.227 -5.599 9.358) 13.082 4.004 ( -3.994 7.474 2.553) 8.851 4.230 ( 2.350 19.586 -9.610) 21.943 4.345 ( -5.871 5.811 -0.951) 8.315 4.414 ( -0.799 -0.335 -7.157) 7.210 4.533 ( 4.079 9.144 -2.690) 10.367 4.717 ( -0.639 1.386 -4.213) 4.481 4.791 ( 4.066 -9.875 -3.734) 11.314 4.928 ( 21.706 19.503 3.670) 29.410 5.185 ( 2.138 3.279 6.974) 7.997 5.407 ( 8.054 6.249 -5.138) 11.416 5.640 ( 6.202 0.557 1.354) 6.372 5.779 ( -4.471 -2.578 -1.827) 5.475 5.831 ( -0.586 0.654 3.611) 3.716 6.195 ( -1.580 8.950 1.655) 9.238 6.446 ( -10.199 -8.848 1.328) 13.567 6.530 ( 8.755 -3.377 2.148) 9.626 6.788 ( -4.979 2.952 -2.372) 6.256 6.992 ( 0.285 -2.221 4.244) 4.798 7.152 ( -3.657 -2.599 0.275) 4.495 7.409 ( -8.352 2.887 7.623) 11.671 7.617 ( -8.842 -0.467 1.516) 8.983 8.403 ( 9.017 -6.992 -3.732) 12.005 8.785 ( 5.531 -14.488 10.192) 18.557 8.968 ( 4.147 -14.724 -12.248) 19.596 9.169 ( -7.822 9.981 -10.770) 16.637 9.492 ( -1.354 2.593 -1.108) 3.128 9.709 ( -5.855 -10.314 7.145) 13.846 9.781 ( 2.834 2.550 -2.741) 4.695 9.925 ( 4.030 -3.135 4.350) 6.708 10.187 ( -5.003 7.213 8.489) 12.211 10.613 ( -4.870 1.448 -7.418) 8.991 10.914 ( 3.329 8.930 -2.227) 9.786 11.171 ( 4.596 2.062 2.470) 5.610 11.498 ( -16.922 2.253 -5.859) 18.049 11.790 ( -9.586 -0.106 3.309) 10.141 12.223 ( 7.544 7.036 -7.185) 12.571 12.388 ( 1.738 -1.965 -0.766) 2.733 12.560 ( 2.310 -3.320 1.541) 4.329 12.744 ( 1.043 -16.969 2.337) 17.161 12.899 ( 1.459 -11.295 -9.425) 14.783 13.066 ( 2.645 -1.729 1.049) 3.330 13.635 ( -6.552 -0.727 2.327) 6.991 13.816 ( -1.549 7.688 -0.574) 7.863 14.474 ( 13.418 -11.157 -3.006) 17.708 14.996 ( 2.329 6.321 2.061) 7.045 17.611 ( -0.891 -3.113 -2.024) 3.819 17.649 ( 0.133 4.929 0.098) 4.931 18.394 ( -3.276 -3.893 3.063) 5.939 18.602 ( -4.504 8.005 8.957) 12.829 19.436 ( 12.667 13.412 -7.067) 19.756 19.777 ( 1.367 2.900 5.456) 6.329 19.981 ( 0.768 -18.078 6.532) 19.237 20.938 ( -12.408 14.050 -0.771) 18.760 21.583 ( 17.327 -14.975 -4.579) 23.355 22.775 ( -13.097 -14.518 1.978) 19.652 23.259 ( -3.438 10.243 -11.556) 15.820 23.636 ( -8.670 5.366 6.103) 11.883 24.432 ( 15.116 -3.229 -0.302) 15.460 24.937 ( -1.255 4.712 -0.542) 4.906======================= Grid point 47 (43/96) =======================q-point: ( 0.09 -0.09 0.51)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.657 ( 17.763 -18.837 0.000) 25.891 2.214 ( -10.729 4.528 -0.000) 11.645 2.607 ( 16.426 6.367 -0.000) 17.617 2.625 ( -6.465 -5.005 0.000) 8.176 3.004 ( 2.974 12.004 -0.000) 12.367 3.202 ( -23.253 -2.045 0.000) 23.342 3.333 ( -1.383 -17.242 0.000) 17.297 3.755 ( -8.998 12.429 -0.000) 15.345 4.201 ( -0.559 1.090 -0.000) 1.225 4.468 ( -9.496 12.160 -0.000) 15.428 4.500 ( 6.317 1.655 -0.000) 6.530 4.533 ( -1.790 0.577 -0.000) 1.880 4.876 ( 9.609 6.037 -0.000) 11.348 4.884 ( -3.384 -12.722 0.000) 13.165 5.253 ( 1.501 4.630 -0.000) 4.868 5.259 ( 9.327 9.272 -0.000) 13.151 5.569 ( -9.886 -10.662 0.000) 14.540 5.581 ( 13.214 9.065 -0.000) 16.025 5.715 ( 6.555 5.576 -0.000) 8.606 5.873 ( -19.765 -6.229 0.000) 20.724 6.105 ( 17.762 7.971 -0.000) 19.469 6.248 ( -8.383 -3.336 0.000) 9.022 6.610 ( 3.981 5.179 -0.000) 6.533 6.616 ( -12.058 -4.318 0.000) 12.808 7.013 ( 0.390 -4.706 0.000) 4.722 7.107 ( -3.191 -8.756 0.000) 9.320 7.307 ( 7.912 11.880 -0.000) 14.273 7.443 ( -8.908 -0.314 0.000) 8.914 8.705 ( 4.942 -19.247 0.000) 19.871 8.723 ( 13.973 -8.131 0.000) 16.167 9.053 ( -6.451 0.425 0.000) 6.465 9.197 ( -10.390 10.655 -0.000) 14.882 9.502 ( 8.938 -4.123 0.000) 9.843 9.633 ( -0.834 4.611 -0.000) 4.686 9.721 ( -5.026 -7.903 0.000) 9.366 10.000 ( -3.540 15.342 -0.000) 15.745 10.055 ( 12.994 -11.931 0.000) 17.641 10.494 ( -9.830 8.200 -0.000) 12.801 11.194 ( 7.582 0.630 -0.000) 7.608 11.210 ( 5.364 6.791 -0.000) 8.654 11.315 ( -5.702 -1.839 0.000) 5.992 11.504 ( -13.745 1.106 0.000) 13.789 12.376 ( 3.880 2.969 -0.000) 4.885 12.389 ( -8.403 -8.046 0.000) 11.634 12.605 ( -9.314 -16.479 0.000) 18.929 12.682 ( 16.043 16.413 -0.000) 22.951 13.133 ( 11.893 -16.451 0.000) 20.300 13.235 ( 10.874 -1.527 -0.000) 10.981 13.440 ( -9.674 0.288 0.000) 9.678 13.680 ( -10.512 13.447 -0.000) 17.068 14.701 ( 6.193 -20.209 0.000) 21.137 15.084 ( 4.542 15.465 -0.000) 16.119 17.620 ( -1.090 -2.946 0.000) 3.141 17.662 ( 1.026 3.270 -0.000) 3.427 18.351 ( -0.016 2.831 -0.000) 2.831 18.383 ( -4.755 0.570 0.000) 4.789 19.608 ( -10.068 -16.714 0.000) 19.512 19.704 ( 7.872 11.871 -0.000) 14.244 20.124 ( 14.843 -3.614 0.000) 15.277 20.656 ( -15.137 17.798 -0.000) 23.364 22.056 ( 24.247 -10.156 0.000) 26.288 22.468 ( -15.220 -11.696 0.000) 19.195 23.307 ( -4.213 2.083 -0.000) 4.699 23.423 ( -4.472 8.769 -0.000) 9.844 24.670 ( 8.917 -4.309 0.000) 9.904 24.890 ( -4.465 4.837 -0.000) 6.583======================= Grid point 49 (44/96) =======================q-point: (-0.20 -0.09 -0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.879 ( 4.432 12.752 1.195) 13.553 2.174 ( 12.929 -9.034 -4.385) 16.371 2.406 ( -21.683 -5.930 -15.060) 27.058 2.933 ( -7.991 -11.436 -15.173) 20.612 3.105 ( -4.541 -11.107 -5.878) 13.362 3.369 ( -11.454 -15.041 13.756) 23.381 3.626 ( 5.521 0.195 -2.999) 6.286 3.900 ( -1.487 4.486 -3.402) 5.823 3.936 ( -0.833 -4.865 -5.302) 7.244 4.073 ( 10.684 -7.566 1.330) 13.159 4.330 ( -4.805 0.987 2.546) 5.526 4.421 ( -4.610 3.370 -3.409) 6.651 4.616 ( -14.012 -13.139 -7.949) 20.789 4.901 ( -3.996 7.257 2.659) 8.700 4.936 ( 2.262 10.412 6.706) 12.590 5.176 ( -9.363 -8.467 1.733) 12.743 5.361 ( 6.001 2.896 -11.253) 13.078 5.628 ( 4.256 -8.274 -0.444) 9.315 5.756 ( -10.989 -2.185 -0.422) 11.212 5.882 ( 1.040 4.239 3.551) 5.627 6.116 ( -1.499 5.037 -2.135) 5.673 6.507 ( -0.115 -3.208 5.871) 6.692 6.579 ( -4.133 3.291 4.971) 7.254 6.750 ( 2.876 -2.179 -5.689) 6.736 6.972 ( -3.435 -8.808 -10.464) 14.102 7.408 ( 6.716 11.410 -2.945) 13.563 7.467 ( 7.315 -1.205 1.439) 7.551 7.651 ( 12.254 -3.982 -9.143) 15.799 8.393 ( -5.038 4.900 9.424) 11.756 8.727 ( 3.229 -11.043 7.902) 13.957 9.005 ( -3.714 8.580 9.898) 13.616 9.141 ( 1.257 7.141 -2.006) 7.523 9.413 ( 1.767 -9.571 -3.245) 10.260 9.705 ( 0.643 5.577 1.283) 5.759 9.970 ( -11.287 2.933 5.280) 12.802 10.147 ( 5.340 6.275 -9.566) 12.625 10.262 ( 3.840 4.038 -5.197) 7.620 10.561 ( 4.236 3.308 -1.165) 5.499 10.749 ( 3.466 -8.139 -4.816) 10.072 11.191 ( -6.295 -5.700 -0.646) 8.517 11.255 ( 15.359 -0.194 12.268) 19.658 11.798 ( 7.548 -1.889 1.994) 8.032 11.988 ( -7.166 -9.968 -1.568) 12.376 12.416 ( -0.126 1.672 0.370) 1.717 12.608 ( 2.534 4.191 4.496) 6.648 12.795 ( 0.388 6.888 16.246) 17.651 13.024 ( -4.202 3.939 3.377) 6.677 13.090 ( 0.298 5.836 -0.250) 5.849 13.665 ( 3.062 -6.123 -1.386) 6.985 13.740 ( 3.174 3.935 -3.765) 6.304 14.430 ( -14.777 -4.481 4.586) 16.108 15.094 ( 6.061 7.893 -0.540) 9.966 17.521 ( -0.395 -4.798 1.164) 4.953 17.694 ( 1.887 6.262 -0.445) 6.555 18.536 ( 4.374 -11.307 -5.160) 13.176 18.717 ( 2.144 11.980 -9.691) 15.557 19.137 ( -14.579 -7.174 0.941) 16.276 19.723 ( -9.373 -11.218 -7.383) 16.377 20.597 ( 17.516 -15.383 5.519) 23.956 20.648 ( 6.412 27.183 -9.225) 29.413 21.655 ( -14.726 7.699 11.095) 19.981 22.891 ( 14.888 -1.663 4.520) 15.647 23.014 ( -8.288 5.107 4.012) 10.529 23.621 ( 11.437 -7.994 -5.294) 14.925 24.466 ( -15.283 2.038 1.631) 15.504 24.862 ( 0.894 -2.695 -1.117) 3.051======================= Grid point 51 (45/96) =======================q-point: ( 0.10 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.803 ( -0.000 39.641 -0.000) 39.641 0.860 ( -0.000 43.647 -0.000) 43.647 1.363 ( -0.000 68.205 -0.000) 68.205 2.352 ( 0.000 -2.606 0.000) 2.606 2.642 ( -0.000 0.415 -0.000) 0.415 2.914 ( -0.000 10.129 -0.000) 10.129 3.836 ( -0.000 2.508 -0.000) 2.508 3.863 ( 0.000 -14.521 0.000) 14.521 3.871 ( -0.000 15.422 -0.000) 15.422 4.085 ( 0.000 -4.006 0.000) 4.006 4.210 ( -0.000 10.565 -0.000) 10.565 4.331 ( -0.000 9.263 -0.000) 9.263 4.352 ( 0.000 -26.559 0.000) 26.559 4.771 ( -0.000 2.736 -0.000) 2.736 4.962 ( -0.000 2.327 -0.000) 2.327 5.285 ( 0.000 -4.306 0.000) 4.306 5.294 ( -0.000 1.374 -0.000) 1.374 5.425 ( -0.000 7.387 -0.000) 7.387 5.470 ( 0.000 -3.771 0.000) 3.771 5.884 ( -0.000 21.626 -0.000) 21.626 5.922 ( 0.000 -2.470 0.000) 2.470 6.243 ( -0.000 14.687 -0.000) 14.687 6.642 ( 0.000 -3.679 0.000) 3.679 6.675 ( 0.000 -13.213 0.000) 13.213 7.452 ( 0.000 -3.006 0.000) 3.006 7.665 ( 0.000 -16.202 0.000) 16.202 7.692 ( 0.000 -10.684 0.000) 10.684 8.179 ( 0.000 -1.693 0.000) 1.693 8.588 ( -0.000 22.845 -0.000) 22.845 8.748 ( 0.000 -7.110 0.000) 7.110 8.774 ( 0.000 -5.709 0.000) 5.709 9.122 ( -0.000 0.258 -0.000) 0.258 9.336 ( -0.000 4.275 -0.000) 4.275 9.715 ( -0.000 0.977 -0.000) 0.977 9.967 ( -0.000 3.004 -0.000) 3.004 10.027 ( 0.000 -3.085 0.000) 3.085 10.262 ( 0.000 -7.506 0.000) 7.506 10.555 ( -0.000 6.627 -0.000) 6.627 10.694 ( -0.000 4.089 -0.000) 4.089 11.138 ( 0.000 -7.020 0.000) 7.020 11.522 ( -0.000 5.047 -0.000) 5.047 12.194 ( 0.000 -1.668 0.000) 1.668 12.546 ( 0.000 -6.888 0.000) 6.888 12.852 ( 0.000 -9.473 0.000) 9.473 12.976 ( 0.000 -9.091 0.000) 9.091 13.096 ( 0.000 -4.567 0.000) 4.567 13.372 ( 0.000 -0.497 0.000) 0.497 13.384 ( 0.000 -5.396 0.000) 5.396 13.584 ( 0.000 -9.807 0.000) 9.807 13.742 ( -0.000 1.645 -0.000) 1.645 13.809 ( -0.000 12.031 -0.000) 12.031 14.456 ( -0.000 8.519 -0.000) 8.519 17.446 ( -0.000 3.337 -0.000) 3.337 17.800 ( 0.000 -3.477 0.000) 3.477 18.407 ( -0.000 1.296 -0.000) 1.296 18.468 ( -0.000 3.542 -0.000) 3.542 18.708 ( -0.000 9.578 -0.000) 9.578 18.846 ( -0.000 6.559 -0.000) 6.559 21.064 ( 0.000 -19.798 0.000) 19.798 21.264 ( 0.000 -0.102 0.000) 0.102 21.937 ( 0.000 -10.988 0.000) 10.988 23.098 ( -0.000 12.270 -0.000) 12.270 23.188 ( -0.000 1.882 -0.000) 1.882 23.789 ( 0.000 -2.751 0.000) 2.751 23.941 ( 0.000 -0.669 0.000) 0.669 24.717 ( -0.000 4.386 -0.000) 4.386======================= Grid point 53 (46/96) =======================q-point: (-0.19 -0.10 0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( -6.345 11.882 1.131) 13.517 2.254 ( 6.978 5.326 -14.710) 17.130 2.343 ( 19.598 -8.600 -11.430) 24.263 2.609 ( 2.550 13.555 -11.424) 17.910 3.007 ( 4.858 1.793 -6.063) 7.973 3.057 ( -2.005 11.697 9.278) 15.064 3.523 ( 14.436 6.219 -12.745) 20.237 3.769 ( -5.396 7.970 2.659) 9.986 3.913 ( 9.805 8.337 -12.092) 17.660 4.117 ( -4.764 -5.725 -4.584) 8.746 4.320 ( 1.864 -1.421 -4.127) 4.746 4.467 ( 19.395 2.986 -4.534) 20.140 4.606 ( 1.413 -11.480 -5.513) 12.813 4.930 ( 9.016 5.198 6.653) 12.352 5.072 ( -0.259 -10.915 5.120) 12.059 5.159 ( 1.159 -0.499 1.775) 2.178 5.356 ( -6.198 4.012 -5.929) 9.469 5.570 ( -5.237 -5.916 -0.232) 7.904 5.735 ( 7.188 0.363 1.004) 7.267 5.860 ( 1.015 3.682 -0.730) 3.889 6.188 ( -0.181 15.396 -2.652) 15.624 6.360 ( 7.505 -2.468 -5.802) 9.802 6.626 ( -1.069 -4.080 2.716) 5.017 6.760 ( -6.275 -1.641 -2.268) 6.871 6.981 ( 3.299 -7.645 -6.086) 10.313 7.355 ( -6.929 7.391 4.829) 11.223 7.515 ( -9.618 6.211 -1.807) 11.591 7.687 ( -5.210 -11.861 -7.150) 14.797 8.404 ( 4.332 12.323 4.348) 13.767 8.511 ( 2.867 1.113 9.067) 9.574 9.068 ( -8.324 -1.029 7.453) 11.220 9.264 ( -7.207 4.626 -3.948) 9.430 9.409 ( 7.879 -14.932 6.548) 18.109 9.761 ( -2.216 -0.352 -2.869) 3.642 10.007 ( 11.238 -0.669 6.373) 12.936 10.239 ( -0.620 -4.191 -3.583) 5.549 10.426 ( -3.340 -9.504 -4.933) 11.217 10.550 ( 0.126 3.580 2.484) 4.359 10.660 ( -8.008 0.549 -7.429) 10.937 10.934 ( 2.615 15.919 10.009) 18.985 11.372 ( -6.625 -6.987 1.440) 9.735 11.705 ( -8.023 7.051 -0.442) 10.690 11.834 ( 6.003 4.476 -1.660) 7.670 12.458 ( -1.671 -2.418 1.764) 3.428 12.694 ( -6.402 -4.417 4.237) 8.857 12.853 ( -5.557 1.496 8.223) 10.037 13.048 ( 5.882 -1.949 15.267) 16.477 13.214 ( 1.291 -2.979 -1.402) 3.537 13.601 ( -4.297 -0.051 -0.035) 4.297 13.853 ( 2.145 -7.647 -4.540) 9.148 14.273 ( 9.886 10.378 1.232) 14.386 15.278 ( -5.016 -8.845 7.107) 12.405 17.444 ( 1.029 2.831 1.096) 3.206 17.830 ( -1.724 -7.009 -2.304) 7.577 18.331 ( -6.454 9.019 -2.502) 11.369 18.944 ( -3.027 -7.962 -11.384) 14.218 19.039 ( 9.425 0.396 -6.721) 11.583 19.530 ( 13.571 6.989 -5.426) 16.200 20.296 ( -11.660 14.826 8.868) 20.842 21.106 ( -4.090 -16.991 -5.209) 18.236 21.778 ( 5.008 -5.908 8.202) 11.281 22.954 ( -11.088 -7.697 -0.979) 13.533 23.066 ( 6.359 -0.376 10.492) 12.275 23.417 ( -10.440 12.370 -6.324) 17.378 24.500 ( 15.359 -1.327 2.695) 15.650 24.825 ( -0.119 1.072 -2.896) 3.091======================= Grid point 54 (47/96) =======================q-point: (-0.33 -0.10 0.53)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.589 ( -3.656 3.566 2.405) 5.645 2.160 ( -8.653 -7.794 -0.263) 11.649 2.736 ( -0.428 16.191 -0.862) 16.219 2.904 ( 1.548 16.834 -2.982) 17.166 3.034 ( 6.847 11.406 -2.697) 13.574 3.406 ( 16.426 0.151 -8.557) 18.521 3.626 ( -1.909 10.415 -0.744) 10.614 3.836 ( -7.862 -11.104 -6.830) 15.224 4.004 ( 3.893 -5.324 -4.766) 8.137 4.364 ( 9.516 -11.905 -4.445) 15.875 4.567 ( -4.998 -15.138 2.653) 16.161 4.619 ( -0.113 -6.513 -0.412) 6.527 4.746 ( 8.281 1.524 9.607) 12.775 4.932 ( 3.023 2.129 2.215) 4.310 5.012 ( -3.706 -0.252 3.230) 4.923 5.137 ( 10.713 2.131 0.875) 10.958 5.224 ( -9.071 8.273 -7.554) 14.415 5.618 ( 0.401 2.331 -9.390) 9.683 5.853 ( -1.998 2.850 3.433) 4.889 6.071 ( 17.872 -0.998 -2.018) 18.013 6.238 ( 3.657 0.365 1.551) 3.989 6.351 ( -7.475 -6.569 0.465) 9.962 6.650 ( 0.338 2.797 -0.616) 2.884 6.698 ( -4.949 1.101 -1.816) 5.386 7.158 ( 4.789 5.030 -0.577) 6.969 7.303 ( 5.407 0.572 -5.215) 7.534 7.365 ( -6.492 0.835 -2.443) 6.987 7.694 ( -10.737 -5.677 -4.404) 12.920 8.191 ( -4.911 1.957 14.593) 15.521 8.552 ( 4.452 -2.074 -0.981) 5.008 8.807 ( 1.074 4.502 1.870) 4.992 9.152 ( -8.352 9.190 -0.479) 12.428 9.435 ( 1.044 -14.667 0.247) 14.706 9.872 ( 3.811 -2.329 -6.600) 7.969 10.066 ( 5.887 3.733 3.095) 7.628 10.122 ( -6.753 -2.839 5.886) 9.397 10.392 ( -6.238 1.953 3.383) 7.360 10.517 ( 1.093 10.652 3.010) 11.123 10.532 ( -1.652 -8.922 -1.340) 9.172 11.024 ( 6.038 3.881 -2.113) 7.482 11.367 ( -0.865 -4.669 -4.201) 6.340 11.582 ( -4.354 0.391 -0.603) 4.413 11.985 ( 3.632 7.160 -2.084) 8.295 12.402 ( -1.233 -0.120 1.051) 1.624 12.541 ( -3.639 -3.795 0.120) 5.259 12.601 ( -1.981 -2.460 7.402) 8.048 12.879 ( 0.419 5.299 6.765) 8.603 13.305 ( 4.204 -4.316 -0.443) 6.042 13.500 ( -5.238 3.248 -0.594) 6.192 13.951 ( 1.534 -9.246 -1.176) 9.446 14.429 ( 4.354 9.279 -1.933) 10.430 15.035 ( -4.381 -5.247 5.300) 8.650 17.450 ( 0.538 2.508 0.138) 2.568 17.820 ( -1.326 -9.219 -0.427) 9.323 18.284 ( -2.092 12.949 -1.216) 13.173 19.051 ( -1.183 -10.769 -4.038) 11.562 19.386 ( 10.311 6.009 -7.739) 14.223 19.805 ( 1.382 3.312 -2.518) 4.384 19.912 ( -4.950 9.656 9.444) 14.385 21.131 ( -1.551 -15.931 -2.642) 16.223 21.775 ( 5.645 1.826 3.967) 7.137 22.617 ( -12.300 -10.828 0.569) 16.397 23.148 ( 7.145 5.987 3.800) 10.066 23.360 ( -5.327 5.651 -3.773) 8.634 24.698 ( 8.418 -0.203 1.576) 8.567 24.840 ( -2.829 -0.976 -1.755) 3.469======================= Grid point 58 (48/96) =======================q-point: (-0.31 -0.11 0.11)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( 0.000 -13.603 12.268) 18.318 2.076 ( 0.000 -9.532 -26.445) 28.110 2.180 ( 0.000 -1.665 -29.121) 29.168 2.857 ( -0.000 0.832 -2.136) 2.293 2.936 ( -0.000 4.250 -4.125) 5.923 3.296 ( -0.000 2.203 -2.459) 3.302 3.634 ( 0.000 -13.880 -20.702) 24.925 3.645 ( -0.000 13.599 3.749) 14.106 3.957 ( -0.000 8.519 -9.665) 12.884 4.094 ( 0.000 -12.888 -0.586) 12.902 4.367 ( 0.000 -9.720 -4.926) 10.897 4.377 ( 0.000 -5.890 0.176) 5.893 4.591 ( -0.000 1.214 0.932) 1.530 4.799 ( 0.000 -6.043 -5.190) 7.966 4.894 ( -0.000 9.842 5.184) 11.123 5.202 ( -0.000 3.823 4.276) 5.735 5.328 ( -0.000 1.053 1.326) 1.693 5.452 ( 0.000 -9.046 -1.512) 9.171 5.730 ( 0.000 -2.684 0.352) 2.707 6.192 ( -0.000 17.038 -6.175) 18.122 6.344 ( -0.000 15.334 6.784) 16.768 6.348 ( 0.000 -9.722 -9.341) 13.482 6.622 ( -0.000 0.688 6.778) 6.813 6.632 ( 0.000 -0.164 1.332) 1.342 7.022 ( -0.000 7.868 -8.051) 11.257 7.450 ( 0.000 -4.930 6.667) 8.292 7.588 ( -0.000 2.967 10.400) 10.815 7.982 ( 0.000 -13.814 -13.094) 19.034 8.163 ( 0.000 -12.640 6.411) 14.173 8.586 ( -0.000 1.098 -14.820) 14.861 8.733 ( -0.000 6.060 12.108) 13.540 9.297 ( 0.000 -0.789 0.822) 1.139 9.394 ( 0.000 -3.678 0.436) 3.704 9.810 ( -0.000 6.807 -4.829) 8.346 9.872 ( -0.000 10.709 -3.011) 11.124 10.386 ( 0.000 -0.966 -6.870) 6.938 10.401 ( 0.000 -19.276 19.819) 27.647 10.565 ( -0.000 1.407 -4.710) 4.916 10.867 ( 0.000 -6.192 12.898) 14.308 10.892 ( 0.000 -5.931 -6.344) 8.685 11.561 ( -0.000 12.753 -7.929) 15.017 11.773 ( 0.000 -5.628 -5.765) 8.057 12.030 ( 0.000 -4.834 -4.097) 6.336 12.251 ( -0.000 3.244 13.182) 13.576 12.447 ( -0.000 2.741 3.288) 4.280 12.613 ( -0.000 2.988 10.250) 10.676 12.985 ( -0.000 10.037 7.498) 12.529 13.495 ( -0.000 1.491 -1.357) 2.016 13.627 ( 0.000 -4.772 -0.908) 4.858 13.662 ( 0.000 -4.643 1.034) 4.757 14.006 ( -0.000 1.228 -5.423) 5.560 15.363 ( -0.000 2.629 5.186) 5.815 17.433 ( 0.000 -3.002 -1.518) 3.364 17.886 ( -0.000 6.699 0.144) 6.701 18.543 ( 0.000 -6.713 0.433) 6.727 18.825 ( -0.000 7.235 -6.172) 9.510 19.325 ( -0.000 21.789 1.173) 21.820 19.340 ( 0.000 -16.999 -13.272) 21.566 20.442 ( 0.000 -27.073 16.334) 31.619 21.035 ( -0.000 7.139 7.574) 10.408 21.769 ( -0.000 3.386 5.497) 6.456 22.474 ( -0.000 27.530 -8.480) 28.806 23.562 ( 0.000 -14.866 -3.627) 15.302 23.650 ( 0.000 -1.602 3.511) 3.859 24.014 ( -0.000 0.128 -0.773) 0.784 24.857 ( 0.000 -0.459 -3.666) 3.694======================= Grid point 59 (49/96) =======================q-point: (-0.46 -0.11 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.559 ( -5.786 -13.233 14.323) 20.340 2.639 ( 5.597 -9.048 -6.505) 12.471 2.672 ( 5.548 -0.403 -9.461) 10.975 2.852 ( -3.884 7.649 -1.253) 8.669 3.050 ( 2.835 1.606 -11.160) 11.625 3.163 ( -8.360 -0.166 -4.206) 9.360 3.637 ( 7.720 15.535 -1.557) 17.417 4.011 ( 3.658 4.397 -5.447) 7.898 4.099 ( 2.255 -5.305 -2.842) 6.426 4.263 ( 0.887 -2.955 -10.310) 10.761 4.276 ( -0.754 -6.100 3.126) 6.895 4.443 ( -4.251 -0.733 -0.827) 4.392 4.655 ( 8.244 -7.903 -1.032) 11.467 4.787 ( -1.936 6.688 -1.386) 7.100 4.867 ( 2.406 1.674 1.168) 3.156 5.272 ( 1.988 -0.677 -2.313) 3.124 5.306 ( 5.101 3.596 2.323) 6.659 5.513 ( 10.492 -5.898 3.392) 12.505 5.726 ( -1.541 5.228 -0.820) 5.512 6.202 ( -1.404 5.928 6.381) 8.822 6.273 ( -9.303 -0.256 -14.908) 17.574 6.440 ( -9.147 7.447 -6.147) 13.300 6.525 ( 2.669 5.417 1.150) 6.147 6.717 ( 4.758 1.126 1.988) 5.278 7.107 ( 1.793 -6.319 1.672) 6.778 7.286 ( -3.462 0.168 0.761) 3.549 7.498 ( 6.078 -1.196 4.852) 7.869 8.037 ( -2.423 -6.026 2.039) 6.808 8.224 ( -2.635 -1.772 2.417) 3.991 8.371 ( -2.910 -6.132 5.861) 8.968 8.901 ( -2.799 1.581 -13.241) 13.625 9.256 ( 2.218 4.013 8.050) 9.265 9.358 ( -2.451 -4.518 0.606) 5.176 9.769 ( 0.726 -6.324 12.107) 13.678 9.953 ( -0.291 11.553 -6.062) 13.050 10.055 ( -1.559 -7.826 7.247) 10.779 10.440 ( -4.946 -2.778 0.500) 5.695 10.548 ( -1.162 4.411 4.037) 6.091 10.742 ( -1.703 -2.396 -9.539) 9.982 11.098 ( 7.706 -4.981 -6.419) 11.198 11.679 ( -9.543 7.790 -6.785) 14.064 11.850 ( -6.151 0.394 -4.496) 7.629 11.964 ( -0.961 -5.019 -2.612) 5.739 12.280 ( 7.056 -2.688 4.274) 8.676 12.387 ( 3.072 1.553 3.436) 4.864 12.509 ( 3.860 0.151 1.260) 4.063 12.776 ( -4.764 0.954 7.010) 8.529 13.337 ( -6.386 5.482 3.374) 9.068 13.699 ( -1.969 -1.690 -3.607) 4.443 13.718 ( 9.226 -5.693 4.774) 11.845 14.182 ( 6.840 2.266 -4.429) 8.458 15.195 ( -4.896 0.171 5.464) 7.338 17.476 ( -0.180 -2.414 -2.666) 3.601 17.853 ( -0.781 7.623 2.342) 8.013 18.444 ( -5.654 -8.662 2.338) 10.605 19.087 ( 10.242 10.518 -8.985) 17.212 19.198 ( -4.497 14.151 4.559) 15.532 19.659 ( 5.875 -14.334 -10.554) 18.745 20.046 ( -7.670 -20.828 13.720) 26.094 21.023 ( 12.860 4.398 7.369) 15.460 21.562 ( -7.751 8.980 4.169) 12.574 22.711 ( 1.835 7.883 -4.987) 9.507 23.320 ( -13.849 3.940 -2.511) 14.616 23.761 ( -2.155 -10.909 -2.645) 11.430 24.131 ( 13.466 1.066 1.440) 13.584 24.934 ( 0.539 1.096 -3.104) 3.336======================= Grid point 60 (50/96) =======================q-point: ( 0.40 -0.11 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 1.918 -13.343 12.436) 18.340 2.567 ( -16.184 6.098 -0.251) 17.296 2.631 ( 6.174 -1.870 11.058) 12.802 2.742 ( -2.243 -4.985 1.338) 5.628 3.069 ( -6.182 -7.109 -0.175) 9.423 3.446 ( 6.099 1.545 -6.424) 8.991 3.785 ( -7.257 1.333 11.939) 14.035 4.097 ( -7.224 -9.783 -11.299) 16.600 4.142 ( 14.606 7.865 -6.023) 17.648 4.243 ( -0.049 -0.094 7.175) 7.176 4.439 ( -5.577 -5.313 4.984) 9.175 4.515 ( 4.992 10.881 -10.257) 15.765 4.673 ( 2.249 7.218 -10.128) 12.639 4.779 ( -0.707 10.265 -1.229) 10.363 5.113 ( 9.319 -6.520 -6.270) 12.987 5.261 ( -4.945 6.914 -5.946) 10.373 5.498 ( 15.611 7.393 1.322) 17.324 5.723 ( -9.556 3.393 -2.480) 10.439 5.797 ( 16.364 2.610 2.196) 16.715 6.045 ( -0.991 4.108 4.632) 6.270 6.198 ( -0.747 -6.626 -0.066) 6.668 6.259 ( -13.985 -2.273 3.420) 14.575 6.618 ( 5.520 3.839 0.579) 6.749 6.749 ( -1.912 -1.505 -1.014) 2.636 7.039 ( -4.639 -9.201 0.486) 10.315 7.259 ( 0.015 7.736 11.863) 14.162 7.524 ( -2.159 1.123 -0.124) 2.437 7.669 ( -12.379 -1.024 7.294) 14.405 8.226 ( 6.280 -3.508 -11.872) 13.881 8.489 ( 8.582 -7.810 -0.407) 11.611 8.895 ( -3.072 -9.585 20.345) 22.699 9.059 ( -9.590 1.787 -15.037) 17.925 9.351 ( 1.558 -0.900 0.141) 1.805 9.636 ( 6.605 -11.666 8.431) 15.837 9.898 ( -2.393 1.863 7.473) 8.065 10.097 ( 2.045 13.085 -5.954) 14.521 10.417 ( -0.813 -1.582 -7.274) 7.488 10.477 ( -2.166 5.610 4.220) 7.347 10.926 ( -3.636 0.603 -13.422) 13.919 11.253 ( 3.640 1.656 8.093) 9.027 11.502 ( -11.810 5.964 -4.990) 14.140 11.786 ( -10.915 -0.810 -6.626) 12.795 12.056 ( 1.686 -6.197 -4.613) 7.907 12.318 ( 4.723 -4.484 2.252) 6.891 12.406 ( 3.146 -5.254 -1.554) 6.318 12.576 ( -2.365 -4.582 3.904) 6.468 12.755 ( 11.003 1.299 -4.286) 11.879 13.169 ( 0.075 4.407 6.087) 7.516 13.643 ( -6.551 -0.797 -0.392) 6.611 13.866 ( 8.703 -0.432 0.508) 8.729 14.339 ( 3.366 -2.459 0.608) 4.213 15.081 ( 0.378 2.851 -1.567) 3.275 17.516 ( -0.938 -1.963 -2.546) 3.349 17.788 ( -0.543 7.135 2.445) 7.562 18.295 ( -4.925 -8.879 1.286) 10.235 18.983 ( -3.821 10.503 9.547) 14.699 19.487 ( 8.992 5.522 -8.048) 13.271 19.653 ( -5.568 -12.691 8.136) 16.071 19.939 ( 4.658 -4.985 -4.983) 8.448 21.268 ( 21.775 -1.045 2.540) 21.948 21.346 ( -8.011 13.634 2.173) 15.962 22.562 ( -11.685 -14.186 5.984) 19.329 23.288 ( -4.452 12.908 -9.121) 16.420 23.684 ( -8.447 -5.061 -1.854) 10.020 24.402 ( 14.725 -0.789 1.292) 14.802 24.979 ( -1.410 2.201 -2.237) 3.440======================= Grid point 61 (51/96) =======================q-point: ( 0.26 -0.11 -0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.271 ( 17.680 -16.233 3.365) 24.237 2.322 ( -9.611 7.717 -3.178) 12.729 2.595 ( -7.619 -4.778 5.581) 10.584 2.647 ( 15.013 -9.341 10.219) 20.422 2.962 ( -6.432 -8.853 -3.879) 11.610 3.283 ( -12.184 -2.501 11.709) 17.082 3.470 ( -11.362 15.057 6.408) 19.922 3.948 ( -5.842 2.934 3.002) 7.194 4.098 ( -10.861 -3.822 -6.401) 13.173 4.308 ( -0.666 -13.274 -2.627) 13.548 4.493 ( 9.507 3.286 -0.609) 10.077 4.732 ( -1.356 13.434 -4.730) 14.307 4.864 ( -3.011 12.932 -1.671) 13.383 4.945 ( 4.925 3.765 -3.545) 7.141 5.208 ( -11.412 -4.827 -0.810) 12.417 5.339 ( -5.515 -3.034 -7.998) 10.178 5.444 ( -0.494 2.580 4.731) 5.411 5.620 ( -12.977 -7.599 -4.790) 15.783 5.861 ( 2.906 -1.126 5.181) 6.046 5.900 ( 2.125 4.497 10.606) 11.715 6.145 ( 12.449 8.107 -3.478) 15.258 6.425 ( -0.097 4.390 2.089) 4.863 6.509 ( -11.049 -3.865 -2.660) 12.004 6.782 ( 1.506 -3.908 -7.742) 8.802 6.847 ( 1.557 3.978 16.546) 17.088 7.028 ( 3.044 -7.145 2.947) 8.307 7.465 ( -5.243 0.819 -1.325) 5.470 7.485 ( -1.068 7.887 0.635) 7.985 8.407 ( -0.280 -11.933 8.711) 14.776 8.661 ( 14.586 -8.498 7.079) 18.305 8.827 ( 6.324 -7.217 -16.861) 19.401 9.144 ( -8.837 5.251 -11.302) 15.278 9.427 ( 2.304 -2.612 -3.559) 4.979 9.594 ( 5.961 -2.685 7.091) 9.645 9.872 ( 10.821 -5.539 1.535) 12.253 10.092 ( -2.127 12.460 13.091) 18.198 10.302 ( -1.342 10.005 1.603) 10.221 10.556 ( -3.066 1.080 -5.093) 6.042 11.079 ( -9.206 0.790 -13.011) 15.958 11.181 ( 5.036 5.668 -1.861) 7.807 11.419 ( -0.558 -0.766 4.166) 4.272 11.593 ( -15.753 2.625 -1.061) 16.006 12.103 ( -8.643 -12.362 -3.594) 15.506 12.383 ( 3.991 0.580 -1.109) 4.183 12.463 ( 0.462 -3.235 2.925) 4.386 12.678 ( 12.243 -10.758 -8.012) 18.161 13.046 ( 14.294 8.052 0.666) 16.420 13.208 ( 10.336 0.687 0.098) 10.359 13.478 ( -7.951 -0.070 2.070) 8.216 13.909 ( -5.010 9.075 1.160) 10.431 14.354 ( 3.378 -15.102 1.481) 15.546 15.267 ( 7.568 8.590 -6.561) 13.195 17.541 ( -1.430 -1.765 -2.582) 3.439 17.745 ( 0.493 4.132 2.220) 4.717 18.239 ( -3.085 -4.872 -4.249) 7.163 18.682 ( -3.127 7.345 14.448) 16.507 19.307 ( -9.699 -15.246 4.504) 18.622 19.822 ( 3.202 4.952 -2.991) 6.612 20.105 ( 6.157 0.076 -3.954) 7.318 21.128 ( -8.260 25.095 2.771) 26.564 21.763 ( 22.492 -10.706 -5.870) 25.592 22.239 ( -3.181 -16.614 8.905) 19.117 23.337 ( -5.763 5.852 -4.258) 9.252 23.552 ( -7.235 2.200 -2.054) 7.836 24.609 ( 8.559 -2.292 1.113) 8.930 24.956 ( -4.747 2.846 -1.400) 5.709======================= Grid point 62 (52/96) =======================q-point: ( 0.11 -0.11 -0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.656 ( 19.141 -26.536 0.000) 32.719 2.099 ( -21.162 -0.462 0.000) 21.167 2.371 ( -3.389 10.076 -0.000) 10.630 2.631 ( -16.905 0.376 0.000) 16.909 2.947 ( -11.046 1.794 -0.000) 11.191 3.047 ( 7.671 -17.843 0.000) 19.422 3.140 ( 7.639 -0.419 -0.000) 7.651 3.889 ( -0.339 11.624 -0.000) 11.629 4.075 ( -2.769 -8.849 0.000) 9.272 4.256 ( -26.111 -19.028 0.000) 32.309 4.406 ( -17.550 -5.108 0.000) 18.278 4.533 ( -4.025 16.274 -0.000) 16.764 4.670 ( -13.525 -5.312 0.000) 14.531 4.927 ( 4.284 3.712 -0.000) 5.668 5.182 ( -6.994 -8.081 0.000) 10.687 5.264 ( 5.695 4.209 -0.000) 7.082 5.319 ( -1.390 9.471 -0.000) 9.572 5.733 ( -8.991 -0.991 0.000) 9.045 5.812 ( 0.357 -5.199 0.000) 5.211 5.858 ( 2.159 -0.598 0.000) 2.240 5.922 ( -16.438 -0.796 0.000) 16.457 6.395 ( 5.229 -2.542 0.000) 5.814 6.609 ( 1.069 3.475 -0.000) 3.636 6.784 ( -5.648 -2.485 0.000) 6.171 6.879 ( 9.762 7.099 -0.000) 12.070 7.007 ( 4.532 -4.868 0.000) 6.651 7.491 ( 5.112 10.392 -0.000) 11.581 7.550 ( 4.592 2.408 -0.000) 5.185 8.361 ( 5.753 -23.102 0.000) 23.807 8.889 ( 13.858 -3.715 0.000) 14.348 9.002 ( -5.108 3.770 -0.000) 6.348 9.134 ( -7.332 3.446 -0.000) 8.101 9.532 ( 6.766 -6.374 0.000) 9.296 9.772 ( 11.494 4.045 -0.000) 12.185 9.840 ( 3.173 10.138 -0.000) 10.623 10.168 ( 15.713 -5.633 0.000) 16.692 10.190 ( -6.829 9.385 -0.000) 11.607 10.567 ( -2.575 12.356 -0.000) 12.622 11.025 ( -10.501 -1.893 0.000) 10.670 11.106 ( -18.760 -2.354 0.000) 18.907 11.424 ( 1.424 -2.175 0.000) 2.600 11.489 ( 13.499 -0.653 -0.000) 13.515 11.957 ( -8.362 -7.594 0.000) 11.296 12.448 ( 1.940 1.493 -0.000) 2.448 12.541 ( 9.983 1.487 -0.000) 10.093 13.026 ( 11.227 -16.800 0.000) 20.207 13.217 ( -5.943 3.264 -0.000) 6.780 13.411 ( 13.558 13.595 -0.000) 19.200 13.443 ( 10.400 0.103 -0.000) 10.400 13.687 ( -12.892 11.375 -0.000) 17.193 14.397 ( 1.060 -18.150 0.000) 18.181 15.499 ( 6.247 16.087 -0.000) 17.257 17.539 ( -2.098 -2.105 0.000) 2.973 17.735 ( 1.258 1.979 -0.000) 2.345 18.299 ( -3.395 -0.395 0.000) 3.418 18.404 ( -0.054 2.346 -0.000) 2.346 19.077 ( -9.412 -13.742 0.000) 16.656 19.744 ( -12.102 -1.558 0.000) 12.202 20.302 ( 7.916 -3.925 0.000) 8.836 20.972 ( -3.234 28.707 -0.000) 28.889 22.010 ( -3.117 -15.283 0.000) 15.598 22.438 ( 30.341 -6.277 0.000) 30.983 23.234 ( -6.125 0.513 0.000) 6.147 23.483 ( -4.234 6.194 -0.000) 7.503 24.705 ( 3.100 -3.397 0.000) 4.599 24.836 ( -9.280 3.223 -0.000) 9.824======================= Grid point 65 (53/96) =======================q-point: ( 0.27 -0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( -0.000 31.555 12.710) 34.019 1.794 ( -0.000 37.820 9.572) 39.013 2.174 ( 0.000 -11.634 -1.267) 11.703 2.694 ( -0.000 0.633 3.600) 3.655 2.869 ( -0.000 41.802 22.934) 47.680 3.113 ( -0.000 18.300 -5.286) 19.048 3.503 ( 0.000 -8.991 -7.769) 11.882 3.742 ( 0.000 -3.530 -10.030) 10.633 3.874 ( 0.000 -14.719 2.085) 14.866 4.143 ( -0.000 0.985 9.765) 9.814 4.272 ( -0.000 20.380 1.337) 20.423 4.434 ( -0.000 15.243 -2.737) 15.487 4.610 ( -0.000 10.571 3.475) 11.127 4.825 ( -0.000 2.236 -1.021) 2.458 4.980 ( 0.000 -1.275 -3.770) 3.980 5.149 ( 0.000 -9.990 1.929) 10.174 5.332 ( 0.000 -5.689 6.014) 8.278 5.359 ( 0.000 -4.110 -1.849) 4.507 5.703 ( -0.000 13.431 2.891) 13.739 5.860 ( 0.000 -5.576 1.606) 5.803 6.288 ( 0.000 -15.001 -6.880) 16.504 6.369 ( -0.000 12.531 5.284) 13.600 6.578 ( 0.000 -5.372 2.294) 5.841 6.672 ( -0.000 24.003 6.508) 24.869 7.068 ( 0.000 -9.320 -15.756) 18.307 7.407 ( 0.000 -14.411 4.481) 15.091 7.633 ( 0.000 -4.275 6.513) 7.790 8.155 ( 0.000 -3.734 2.746) 4.635 8.299 ( 0.000 -1.309 -14.980) 15.037 8.769 ( 0.000 -15.657 -0.653) 15.671 8.974 ( -0.000 23.770 -9.018) 25.423 9.015 ( 0.000 -4.288 4.015) 5.874 9.449 ( -0.000 4.080 2.447) 4.757 9.726 ( -0.000 1.219 -1.043) 1.604 9.855 ( 0.000 -2.079 -7.479) 7.763 10.171 ( -0.000 5.298 7.358) 9.067 10.194 ( 0.000 -13.144 9.462) 16.196 10.653 ( -0.000 3.508 -3.941) 5.276 10.818 ( -0.000 5.650 2.883) 6.343 11.021 ( 0.000 -5.832 4.061) 7.106 11.701 ( -0.000 8.701 3.850) 9.515 12.113 ( 0.000 -1.446 -3.136) 3.454 12.343 ( 0.000 -4.406 -13.038) 13.762 12.511 ( 0.000 -0.189 -15.597) 15.598 12.556 ( 0.000 -12.270 -6.482) 13.877 12.881 ( 0.000 -4.863 -9.185) 10.393 13.058 ( 0.000 -10.365 -10.038) 14.429 13.373 ( 0.000 -5.736 2.458) 6.240 13.499 ( 0.000 -3.836 9.788) 10.513 13.772 ( -0.000 1.142 1.037) 1.543 13.937 ( -0.000 13.990 -5.286) 14.955 14.989 ( 0.000 -6.585 20.571) 21.599 17.541 ( -0.000 5.365 -0.227) 5.370 17.715 ( 0.000 -4.995 0.411) 5.012 18.578 ( -0.000 5.258 6.361) 8.253 18.616 ( 0.000 -5.677 10.754) 12.161 18.848 ( -0.000 10.300 -6.029) 11.935 19.205 ( -0.000 17.002 11.486) 20.518 20.657 ( 0.000 -25.281 6.346) 26.066 21.190 ( 0.000 -4.339 -6.764) 8.036 21.664 ( 0.000 -14.380 2.117) 14.535 22.764 ( -0.000 14.626 -29.385) 32.824 23.631 ( -0.000 7.300 9.798) 12.218 23.706 ( 0.000 -4.331 -0.506) 4.361 23.933 ( 0.000 -1.632 1.645) 2.317 24.832 ( -0.000 5.597 0.610) 5.630======================= Grid point 66 (54/96) =======================q-point: ( 0.13 -0.13 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.635 ( 12.156 26.722 -0.000) 29.357 1.718 ( 7.505 32.851 -0.000) 33.697 2.107 ( -7.858 -18.171 0.000) 19.797 2.676 ( 1.812 1.669 -0.000) 2.464 3.032 ( 5.050 42.975 -0.000) 43.270 3.105 ( 20.509 30.058 -0.000) 36.388 3.593 ( 2.373 -8.386 0.000) 8.715 3.824 ( -1.226 -22.872 0.000) 22.905 4.030 ( -1.137 -0.424 0.000) 1.214 4.052 ( 9.476 5.413 -0.000) 10.913 4.238 ( 0.987 15.265 -0.000) 15.297 4.346 ( -8.551 14.135 -0.000) 16.520 4.384 ( -10.705 12.324 -0.000) 16.325 4.921 ( 6.611 2.492 -0.000) 7.066 5.072 ( -4.258 -9.298 0.000) 10.227 5.124 ( 6.051 6.045 -0.000) 8.553 5.253 ( -1.347 -6.244 0.000) 6.387 5.388 ( 2.532 -0.598 0.000) 2.601 5.764 ( 9.491 10.718 -0.000) 14.317 5.849 ( -0.326 -2.661 0.000) 2.681 6.155 ( -9.518 2.754 -0.000) 9.909 6.478 ( 7.111 0.801 -0.000) 7.156 6.542 ( -0.227 -5.649 0.000) 5.654 6.626 ( -0.113 17.599 -0.000) 17.599 7.233 ( -8.883 -6.482 0.000) 10.996 7.352 ( -6.990 -11.780 0.000) 13.698 7.435 ( 1.130 -10.286 0.000) 10.348 7.816 ( -16.671 3.186 -0.000) 16.973 8.577 ( 3.326 -12.811 0.000) 13.235 8.776 ( 5.814 -8.957 0.000) 10.679 9.047 ( -2.589 25.971 -0.000) 26.100 9.294 ( 16.482 -15.298 0.000) 22.487 9.361 ( -5.502 2.225 -0.000) 5.934 9.804 ( 6.860 -2.779 0.000) 7.402 9.921 ( -8.907 -1.172 0.000) 8.984 9.994 ( 2.424 -3.152 0.000) 3.977 10.077 ( -3.664 -3.193 0.000) 4.859 10.734 ( -5.536 6.153 -0.000) 8.277 10.784 ( 5.893 8.326 -0.000) 10.201 10.942 ( -0.962 -6.722 0.000) 6.791 11.722 ( 4.133 6.627 -0.000) 7.811 12.006 ( -11.918 -2.924 0.000) 12.272 12.226 ( -29.125 5.060 -0.000) 29.561 12.441 ( -4.948 -1.444 0.000) 5.154 12.665 ( 2.948 -10.454 0.000) 10.862 12.876 ( 11.060 -15.396 0.000) 18.957 13.156 ( -8.507 -3.653 0.000) 9.258 13.411 ( -0.444 -15.373 0.000) 15.379 13.640 ( 3.557 8.860 -0.000) 9.547 13.718 ( -3.723 0.190 0.000) 3.728 14.453 ( 32.007 -18.958 0.000) 37.200 14.661 ( 1.940 11.535 -0.000) 11.697 17.540 ( 0.906 4.742 -0.000) 4.827 17.715 ( -0.587 -3.915 0.000) 3.959 18.381 ( -4.910 3.482 -0.000) 6.020 18.514 ( -3.190 3.864 -0.000) 5.011 19.034 ( 6.364 16.357 -0.000) 17.551 19.204 ( 15.168 10.923 -0.000) 18.692 20.539 ( -4.946 -27.405 0.000) 27.848 21.057 ( -17.115 7.841 -0.000) 18.826 21.711 ( 7.171 -16.526 0.000) 18.014 23.198 ( -3.723 -6.561 0.000) 7.544 23.348 ( -1.853 13.122 -0.000) 13.253 23.537 ( -13.930 2.283 -0.000) 14.116 24.172 ( 18.814 -3.701 0.000) 19.175 24.831 ( 0.386 6.179 -0.000) 6.191======================= Grid point 68 (55/96) =======================q-point: (-0.16 -0.13 0.56)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.800 ( -9.155 8.257 5.097) 13.340 1.911 ( -3.310 -12.388 -0.695) 12.841 2.924 ( 25.987 4.226 -12.373) 29.091 3.040 ( 2.578 13.059 -15.043) 20.086 3.164 ( -1.847 9.030 -7.944) 12.168 3.391 ( -5.535 4.594 -5.529) 9.072 3.559 ( -4.907 11.694 -4.643) 13.505 3.789 ( 1.804 -10.050 -6.329) 12.013 3.938 ( 0.329 10.710 8.958) 13.966 4.086 ( 7.997 -10.234 1.929) 13.131 4.317 ( -2.715 -9.261 6.898) 11.863 4.490 ( -8.282 -7.510 1.148) 11.239 4.832 ( 6.104 -2.641 3.094) 7.336 4.985 ( 2.578 1.515 0.243) 3.000 5.018 ( 10.038 0.654 2.192) 10.295 5.319 ( -2.330 4.354 -7.768) 9.205 5.395 ( 9.103 7.189 6.793) 13.442 5.506 ( 5.788 11.305 -1.031) 12.742 5.845 ( -3.846 -12.181 0.619) 12.789 5.973 ( -0.783 -6.610 -2.510) 7.114 6.151 ( 9.918 6.184 -3.753) 12.276 6.412 ( -8.805 -3.288 1.384) 9.500 6.644 ( 2.465 2.724 -2.028) 4.197 6.759 ( 0.137 5.064 -2.766) 5.772 7.042 ( 4.070 6.059 -7.655) 10.577 7.292 ( -3.040 -13.152 -3.104) 13.851 7.358 ( -2.045 -1.220 -4.369) 4.976 7.418 ( -11.267 4.284 -3.409) 12.527 8.511 ( 6.611 -2.350 13.800) 15.481 8.623 ( -7.038 3.720 8.034) 11.310 8.987 ( -2.877 6.247 4.397) 8.163 9.132 ( -1.371 -9.265 0.801) 9.400 9.399 ( 0.550 11.764 -2.123) 11.967 9.691 ( -0.472 -9.494 -2.248) 9.768 10.074 ( -1.231 -2.170 -5.815) 6.327 10.185 ( -3.046 -3.195 -6.379) 7.757 10.208 ( 8.800 -3.833 2.927) 10.035 10.415 ( -9.409 -2.664 -3.156) 10.275 10.746 ( 3.793 8.388 2.852) 9.637 11.028 ( -7.521 -7.692 5.963) 12.300 11.366 ( 11.442 6.246 0.611) 13.050 11.629 ( -9.427 1.047 0.545) 9.500 12.141 ( 7.692 10.506 1.017) 13.060 12.395 ( -3.030 -2.785 1.601) 4.416 12.542 ( -1.301 1.278 2.176) 2.839 12.720 ( -5.846 -5.990 11.648) 14.344 13.078 ( -0.648 2.883 4.126) 5.075 13.158 ( 4.420 -8.854 0.903) 9.937 13.579 ( -4.421 7.704 -2.804) 9.314 13.705 ( 0.388 -8.622 -4.624) 9.791 14.648 ( 6.837 11.158 3.343) 13.506 14.980 ( -4.966 -11.225 4.717) 13.150 17.534 ( 0.940 4.389 1.261) 4.662 17.659 ( -1.492 -6.196 0.091) 6.374 18.472 ( -1.992 12.293 -5.723) 13.706 18.693 ( -0.212 -11.695 -9.029) 14.777 19.434 ( 15.349 9.852 -1.722) 18.319 19.809 ( -3.275 0.491 -1.914) 3.825 20.301 ( -9.703 14.475 3.073) 17.695 20.601 ( 1.029 -24.244 -5.604) 24.905 21.984 ( 16.673 2.506 7.368) 18.400 22.450 ( -22.281 -4.557 3.243) 22.973 23.272 ( 12.540 -3.119 1.915) 13.063 23.401 ( -10.791 6.992 -3.466) 13.317 24.713 ( 9.630 -1.728 1.417) 9.886 24.813 ( -4.125 1.571 -0.678) 4.466======================= Grid point 69 (56/96) =======================q-point: (-0.30 -0.13 -0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.642 ( -1.717 10.640 -4.316) 11.610 2.006 ( 12.862 -11.738 3.314) 17.726 3.021 ( -13.593 14.272 -9.091) 21.705 3.198 ( -5.672 15.322 -4.354) 16.908 3.359 ( -7.007 7.339 2.183) 10.379 3.569 ( -2.299 7.221 0.918) 7.634 3.654 ( 9.516 -6.885 -3.523) 12.262 3.761 ( 5.608 -11.165 3.207) 12.899 4.050 ( 2.339 5.476 2.113) 6.318 4.155 ( 0.283 -15.405 1.551) 15.486 4.189 ( 4.483 -12.116 3.689) 13.435 4.327 ( 7.888 -5.736 -5.891) 11.394 4.746 ( -16.258 -0.036 3.229) 16.576 4.914 ( 2.351 6.607 -6.636) 9.655 5.055 ( -11.630 -3.653 3.155) 12.592 5.192 ( 4.266 6.307 5.303) 9.279 5.523 ( -2.160 7.496 4.642) 9.078 5.686 ( 2.367 -6.561 -6.617) 9.615 5.803 ( 3.641 -3.983 5.791) 7.915 5.954 ( 5.524 -9.030 -3.617) 11.187 6.232 ( -9.277 5.736 -1.210) 10.974 6.335 ( -6.691 0.876 1.283) 6.869 6.653 ( -7.050 -1.646 -0.252) 7.244 6.852 ( 10.362 9.461 -1.332) 14.094 7.226 ( -1.705 -1.189 -3.469) 4.043 7.272 ( 5.487 -2.666 -1.212) 6.220 7.358 ( -8.679 -2.336 -2.363) 9.293 7.612 ( 15.351 0.770 -8.178) 17.411 8.226 ( -3.925 6.202 8.646) 11.342 8.448 ( 5.078 -5.749 6.923) 10.333 8.928 ( -3.187 6.766 -0.853) 7.528 9.148 ( 2.162 -8.700 -0.719) 8.993 9.445 ( 0.650 14.830 -0.839) 14.868 9.727 ( -1.041 -13.456 -0.610) 13.510 10.058 ( -6.403 4.527 0.804) 7.883 10.142 ( -5.696 3.612 -3.147) 7.443 10.295 ( 1.999 -10.247 -0.159) 10.441 10.408 ( 9.143 2.341 -2.084) 9.665 10.764 ( -0.548 12.392 -0.775) 12.429 11.065 ( 5.393 -10.966 -1.019) 12.263 11.428 ( -2.253 0.766 0.449) 2.421 11.503 ( 5.384 -0.219 6.192) 8.209 12.174 ( -2.953 6.615 1.685) 7.438 12.349 ( 3.169 -3.765 -0.609) 4.959 12.483 ( -0.265 1.869 2.482) 3.118 12.517 ( -0.734 -3.303 3.756) 5.055 12.985 ( -3.987 9.370 -1.309) 10.266 13.176 ( -3.191 -7.651 -0.521) 8.306 13.602 ( 2.882 6.818 -1.013) 7.471 13.779 ( 1.767 -9.364 -0.205) 9.531 14.613 ( -8.605 7.308 1.065) 11.340 14.894 ( 6.760 -5.499 1.344) 8.818 17.532 ( 0.380 4.787 0.811) 4.870 17.648 ( 0.480 -7.187 -0.579) 7.226 18.546 ( 0.817 14.063 -2.701) 14.344 18.820 ( 1.266 -13.077 -2.912) 13.457 19.531 ( -17.183 -2.206 3.418) 17.658 19.808 ( 14.015 3.380 -3.501) 14.836 20.202 ( -0.601 22.272 -1.445) 22.327 20.736 ( 6.274 -25.941 0.149) 26.689 21.815 ( -22.888 7.330 0.609) 24.041 22.425 ( 22.096 -7.520 2.021) 23.428 23.198 ( -13.655 3.971 -1.105) 14.264 23.502 ( 12.447 0.695 1.162) 12.520 24.675 ( -10.015 0.668 -0.503) 10.050 24.844 ( 5.039 -1.585 1.000) 5.376======================= Grid point 70 (57/96) =======================q-point: ( 0.56 -0.13 -0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 6.666 3.564 -5.225) 9.189 2.257 ( 18.840 -5.531 4.710) 20.192 2.735 ( -20.955 2.459 18.397) 27.994 3.016 ( -11.018 7.066 -13.757) 18.989 3.142 ( -4.700 2.691 3.770) 6.599 3.295 ( -14.414 23.091 8.252) 28.444 3.682 ( -1.962 -3.969 1.227) 4.594 3.959 ( -3.150 -11.220 0.389) 11.660 3.986 ( 8.305 5.970 2.096) 10.441 4.113 ( 5.137 2.348 3.847) 6.833 4.306 ( 3.624 -1.386 1.704) 4.238 4.483 ( -3.514 -7.829 1.841) 8.777 4.626 ( -4.804 5.691 -5.655) 9.351 4.815 ( -2.810 -9.858 -4.153) 11.060 4.985 ( -3.870 0.938 9.494) 10.296 5.102 ( -3.453 5.502 -5.867) 8.753 5.506 ( 5.658 3.493 -1.366) 6.788 5.690 ( 1.047 -1.652 9.767) 9.961 5.755 ( -6.679 2.920 -2.221) 7.620 5.922 ( -4.789 0.714 9.420) 10.592 6.118 ( -1.944 -5.846 -0.962) 6.236 6.322 ( -0.162 0.624 -11.334) 11.353 6.524 ( -3.226 -4.049 -1.581) 5.413 6.856 ( -5.873 4.403 4.000) 8.359 7.149 ( -2.596 4.305 7.115) 8.712 7.379 ( 6.079 5.628 -5.660) 10.033 7.443 ( 7.327 -8.443 0.720) 11.202 7.887 ( 12.428 1.668 10.944) 16.644 8.226 ( 0.029 -2.589 -7.447) 7.884 8.571 ( 3.830 1.819 -6.943) 8.135 8.864 ( -4.789 1.733 -3.691) 6.290 9.190 ( 3.751 -5.126 2.267) 6.744 9.452 ( 0.742 9.329 1.084) 9.421 9.696 ( -1.519 -8.931 -0.291) 9.064 9.873 ( -9.711 -0.996 -3.432) 10.348 10.249 ( 6.689 0.724 1.038) 6.808 10.332 ( 4.425 -7.248 2.611) 8.885 10.640 ( 6.855 -0.274 3.404) 7.658 10.827 ( 3.038 12.736 -3.930) 13.671 11.006 ( 0.929 -0.465 -2.152) 2.390 11.310 ( -0.372 -0.229 9.966) 9.976 11.692 ( 7.393 -1.707 -8.679) 11.528 12.050 ( -4.102 6.971 4.023) 9.033 12.414 ( 0.095 -0.267 0.442) 0.525 12.514 ( 1.924 -4.231 -4.540) 6.497 12.533 ( -2.392 -4.299 -9.296) 10.517 12.954 ( -5.737 3.882 -3.679) 7.843 13.118 ( 1.863 -6.669 1.590) 7.105 13.679 ( 2.922 5.092 0.270) 5.876 13.792 ( 1.680 -5.202 1.605) 5.697 14.385 ( -13.235 3.195 -0.570) 13.628 15.081 ( 9.146 -3.351 -1.431) 9.845 17.516 ( -0.259 4.659 0.598) 4.704 17.692 ( 2.070 -7.017 -0.659) 7.346 18.600 ( 3.400 13.170 1.305) 13.664 18.849 ( 2.502 -13.839 3.824) 14.574 19.142 ( -15.850 0.979 1.581) 15.959 19.859 ( -5.295 8.703 6.326) 11.992 20.456 ( 13.405 20.479 -8.576) 25.935 20.835 ( 13.003 -25.644 8.782) 30.064 21.449 ( -19.488 -4.132 -9.039) 21.876 22.844 ( 7.584 -3.364 -0.000) 8.297 22.947 ( -2.747 0.818 -3.256) 4.338 23.700 ( 11.610 5.359 2.987) 13.132 24.441 ( -15.131 -0.878 -0.995) 15.190 24.883 ( 1.111 0.617 1.100) 1.681======================= Grid point 72 (58/96) =======================q-point: (-0.14 -0.14 0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.364 ( -0.000 0.000 -33.779) 33.779 1.529 ( -0.000 0.000 -36.996) 36.996 1.944 ( 0.000 -0.000 7.647) 7.647 2.459 ( -0.000 0.000 -53.941) 53.941 2.790 ( -0.000 0.000 -5.224) 5.224 2.865 ( -0.000 0.000 -8.462) 8.462 3.466 ( 0.000 -0.000 7.359) 7.359 3.801 ( 0.000 -0.000 0.092) 0.092 3.994 ( 0.000 -0.000 1.574) 1.574 4.134 ( 0.000 -0.000 3.311) 3.311 4.192 ( -0.000 0.000 -2.285) 2.285 4.232 ( -0.000 0.000 -3.257) 3.257 4.505 ( -0.000 0.000 -9.819) 9.819 4.693 ( 0.000 -0.000 2.777) 2.777 5.097 ( 0.000 -0.000 4.880) 4.880 5.313 ( 0.000 -0.000 0.359) 0.359 5.356 ( -0.000 0.000 -1.674) 1.674 5.394 ( 0.000 -0.000 5.522) 5.522 5.798 ( 0.000 -0.000 5.397) 5.397 5.908 ( -0.000 0.000 -11.651) 11.651 6.346 ( -0.000 0.000 -16.056) 16.056 6.573 ( 0.000 -0.000 6.929) 6.929 6.615 ( 0.000 -0.000 1.418) 1.418 6.682 ( 0.000 -0.000 6.459) 6.459 7.194 ( -0.000 0.000 -11.533) 11.533 7.354 ( 0.000 -0.000 3.145) 3.145 7.634 ( 0.000 -0.000 5.179) 5.179 7.959 ( 0.000 -0.000 14.844) 14.844 7.993 ( -0.000 0.000 -1.719) 1.719 8.358 ( -0.000 0.000 -9.482) 9.482 8.990 ( 0.000 -0.000 4.667) 4.667 9.245 ( -0.000 0.000 -4.251) 4.251 9.351 ( -0.000 0.000 -1.246) 1.246 9.761 ( -0.000 0.000 -5.072) 5.072 9.935 ( -0.000 0.000 -1.921) 1.921 10.204 ( -0.000 0.000 -7.185) 7.185 10.431 ( 0.000 -0.000 3.817) 3.817 10.729 ( 0.000 -0.000 15.816) 15.816 10.734 ( -0.000 0.000 -4.169) 4.169 10.876 ( -0.000 0.000 -1.380) 1.380 11.572 ( -0.000 0.000 -5.370) 5.370 11.605 ( -0.000 0.000 -5.586) 5.586 12.030 ( 0.000 -0.000 8.939) 8.939 12.555 ( 0.000 -0.000 4.249) 4.249 12.566 ( 0.000 -0.000 14.854) 14.854 12.861 ( 0.000 -0.000 10.480) 10.480 13.245 ( 0.000 -0.000 6.263) 6.263 13.367 ( -0.000 0.000 -8.017) 8.017 13.587 ( -0.000 0.000 -2.838) 2.838 13.636 ( 0.000 -0.000 3.149) 3.149 13.897 ( -0.000 0.000 -6.252) 6.252 15.526 ( 0.000 -0.000 6.321) 6.321 17.386 ( 0.000 -0.000 0.025) 0.025 17.925 ( -0.000 0.000 -2.905) 2.905 18.477 ( -0.000 0.000 -0.967) 0.967 18.831 ( -0.000 0.000 -10.783) 10.783 18.874 ( -0.000 0.000 -4.981) 4.981 19.864 ( 0.000 -0.000 6.649) 6.649 20.183 ( 0.000 -0.000 8.962) 8.962 21.198 ( 0.000 -0.000 3.666) 3.666 21.936 ( 0.000 -0.000 5.599) 5.599 22.859 ( 0.000 -0.000 0.540) 0.540 23.128 ( -0.000 0.000 -7.950) 7.950 23.715 ( 0.000 -0.000 4.342) 4.342 23.991 ( -0.000 0.000 -1.637) 1.637 24.768 ( -0.000 0.000 -4.227) 4.227======================= Grid point 73 (59/96) =======================q-point: (-0.29 -0.14 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.703 ( -3.640 -0.000 12.122) 12.657 2.241 ( 21.239 0.000 -25.139) 32.910 2.262 ( 9.284 0.000 -23.118) 24.913 2.807 ( -4.193 0.000 -5.474) 6.895 3.012 ( 1.001 0.000 -5.055) 5.153 3.123 ( -20.729 -0.000 2.553) 20.886 3.471 ( 14.119 0.000 -29.191) 32.426 3.867 ( -9.312 -0.000 -0.804) 9.347 4.008 ( 3.360 0.000 -6.418) 7.244 4.192 ( 13.605 0.000 -6.455) 15.059 4.234 ( 3.602 0.000 0.673) 3.664 4.401 ( 5.437 0.000 -0.769) 5.491 4.627 ( 2.646 -0.000 4.829) 5.506 4.722 ( 1.722 0.000 -5.923) 6.168 4.973 ( 0.640 -0.000 4.124) 4.174 5.266 ( -4.662 -0.000 -0.323) 4.673 5.384 ( 7.861 0.000 4.799) 9.210 5.485 ( 11.882 0.000 2.783) 12.203 5.747 ( -0.007 0.000 -4.999) 4.999 6.024 ( -9.131 -0.000 -8.414) 12.417 6.123 ( -20.208 -0.000 -3.843) 20.570 6.544 ( 0.937 0.000 -5.606) 5.684 6.615 ( 5.697 -0.000 6.142) 8.377 6.804 ( 4.926 0.000 0.306) 4.935 7.139 ( -8.794 -0.000 8.631) 12.322 7.311 ( -1.779 -0.000 -0.875) 1.982 7.644 ( -3.431 -0.000 0.555) 3.475 7.908 ( 13.781 0.000 -6.046) 15.049 7.995 ( -1.118 -0.000 0.296) 1.157 8.465 ( -8.226 -0.000 -3.343) 8.879 8.907 ( 3.408 -0.000 13.097) 13.533 9.336 ( -2.397 -0.000 0.493) 2.448 9.370 ( 8.708 0.000 -2.063) 8.949 9.878 ( -1.167 0.000 -5.697) 5.816 9.937 ( -5.906 -0.000 -0.798) 5.959 10.179 ( 2.911 -0.000 20.952) 21.153 10.354 ( -0.655 0.000 -5.994) 6.030 10.562 ( -2.474 -0.000 -2.556) 3.557 10.728 ( -4.898 -0.000 4.360) 6.558 10.881 ( 2.151 0.000 -7.204) 7.518 11.651 ( -4.865 0.000 -6.785) 8.349 11.749 ( 3.255 0.000 -4.170) 5.290 11.839 ( -9.274 -0.000 -3.972) 10.088 12.462 ( -1.233 -0.000 3.570) 3.777 12.469 ( 13.603 -0.000 16.137) 21.105 12.661 ( 1.525 -0.000 9.785) 9.903 12.933 ( -12.313 -0.000 6.928) 14.128 13.398 ( -7.940 -0.000 -5.556) 9.691 13.649 ( 0.074 0.000 -0.037) 0.083 13.728 ( 12.829 0.000 4.857) 13.718 14.090 ( 6.409 0.000 -6.531) 9.150 15.330 ( -5.780 -0.000 7.384) 9.378 17.406 ( 0.300 0.000 -1.622) 1.650 17.964 ( 0.320 0.000 -0.753) 0.818 18.387 ( -7.672 -0.000 1.716) 7.862 19.096 ( 2.537 0.000 -13.403) 13.641 19.128 ( 11.629 0.000 -7.485) 13.830 19.585 ( -9.853 -0.000 4.062) 10.658 19.969 ( -2.070 -0.000 10.887) 11.082 21.181 ( 5.582 0.000 4.567) 7.212 21.808 ( -0.044 -0.000 6.781) 6.781 22.814 ( -4.177 -0.000 3.955) 5.752 23.291 ( -0.605 0.000 -8.483) 8.505 23.544 ( -10.036 -0.000 -0.413) 10.045 24.162 ( 13.978 0.000 0.891) 14.007 24.869 ( 1.221 0.000 -4.083) 4.262======================= Grid point 74 (60/96) =======================q-point: (-0.43 -0.14 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.396 ( 1.504 -0.000 14.558) 14.635 2.562 ( -16.129 -0.000 -5.580) 17.067 2.659 ( -3.430 0.000 -4.092) 5.339 2.755 ( 0.960 -0.000 4.616) 4.715 2.936 ( -7.754 -0.000 -5.659) 9.600 3.256 ( 17.865 0.000 -10.132) 20.538 3.763 ( -10.035 -0.000 -8.478) 13.137 3.982 ( 2.755 -0.000 6.731) 7.273 4.212 ( 6.925 0.000 -0.612) 6.952 4.304 ( 4.014 0.000 -14.728) 15.265 4.462 ( 9.412 0.000 3.688) 10.108 4.495 ( 1.934 -0.000 2.830) 3.428 4.681 ( 8.185 0.000 3.112) 8.756 4.786 ( 0.718 0.000 -5.283) 5.331 4.974 ( 2.491 0.000 1.753) 3.046 5.208 ( -5.451 0.000 -7.289) 9.102 5.527 ( 8.011 0.000 -3.397) 8.702 5.718 ( 5.270 0.000 -1.732) 5.548 5.894 ( -2.464 -0.000 0.849) 2.607 5.922 ( 5.552 0.000 -4.378) 7.071 6.005 ( -11.635 -0.000 -10.034) 15.364 6.547 ( 2.135 -0.000 10.750) 10.960 6.653 ( 1.528 0.000 -0.236) 1.546 6.784 ( -9.520 -0.000 -2.092) 9.747 6.881 ( 1.731 -0.000 4.379) 4.709 7.382 ( 4.716 0.000 -6.224) 7.809 7.542 ( -3.991 -0.000 1.093) 4.138 7.902 ( -10.473 -0.000 9.058) 13.847 8.101 ( -7.035 -0.000 7.855) 10.545 8.356 ( 14.713 0.000 -6.019) 15.897 8.815 ( -4.496 0.000 -7.032) 8.346 9.153 ( -9.691 -0.000 11.000) 14.660 9.569 ( 11.346 0.000 4.274) 12.124 9.601 ( 2.066 -0.000 17.390) 17.512 9.968 ( -0.392 0.000 -5.354) 5.368 10.150 ( 2.159 0.000 -5.572) 5.976 10.267 ( -6.412 -0.000 3.091) 7.119 10.629 ( 0.857 -0.000 2.655) 2.790 10.642 ( -5.124 0.000 -12.751) 13.742 11.168 ( 4.310 0.000 -12.733) 13.442 11.558 ( -9.812 -0.000 -0.999) 9.863 11.720 ( -10.198 -0.000 1.390) 10.292 11.903 ( 2.714 0.000 -3.968) 4.808 12.385 ( 6.251 -0.000 9.253) 11.167 12.386 ( -0.721 -0.000 2.123) 2.242 12.638 ( -5.147 -0.000 5.062) 7.219 12.688 ( 8.918 0.000 -1.694) 9.077 13.316 ( -2.910 -0.000 1.657) 3.349 13.604 ( -5.655 -0.000 -1.505) 5.852 13.893 ( 11.580 0.000 2.988) 11.959 14.307 ( 3.832 0.000 -2.642) 4.654 15.104 ( -4.395 -0.000 2.284) 4.953 17.446 ( -0.371 0.000 -2.308) 2.338 17.958 ( 0.736 -0.000 2.572) 2.675 18.186 ( -7.578 -0.000 1.558) 7.737 19.297 ( -4.793 -0.000 4.277) 6.424 19.366 ( -0.397 0.000 -7.141) 7.152 19.590 ( 12.940 0.000 -4.682) 13.761 19.756 ( -0.181 -0.000 3.674) 3.678 21.243 ( 6.885 0.000 1.162) 6.982 21.701 ( 2.385 -0.000 6.314) 6.749 22.546 ( -7.256 -0.000 10.425) 12.702 23.394 ( -3.502 0.000 -5.937) 6.893 23.411 ( -10.523 -0.000 -7.242) 12.774 24.429 ( 14.577 0.000 1.745) 14.681 24.944 ( -1.021 0.000 -3.201) 3.360======================= Grid point 75 (61/96) =======================q-point: ( 0.43 -0.14 -0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.290 ( 13.106 0.000 11.627) 17.520 2.314 ( -10.299 -0.000 -5.972) 11.905 2.619 ( -4.241 -0.000 1.031) 4.364 2.752 ( 10.469 0.000 10.454) 14.794 2.781 ( -11.405 -0.000 -0.689) 11.426 3.502 ( -14.504 -0.000 12.099) 18.888 3.727 ( 12.950 0.000 -1.102) 12.997 3.786 ( -11.435 0.000 -14.303) 18.313 3.997 ( -17.195 -0.000 12.751) 21.407 4.399 ( 2.524 -0.000 13.319) 13.556 4.554 ( 15.063 0.000 1.507) 15.138 4.786 ( 1.359 0.000 -7.176) 7.304 4.873 ( 6.956 0.000 -4.812) 8.458 4.985 ( 4.262 0.000 -15.542) 16.116 5.098 ( 3.103 0.000 -8.007) 8.587 5.167 ( -13.178 -0.000 2.126) 13.349 5.466 ( -24.742 -0.000 1.091) 24.766 5.474 ( -9.018 -0.000 1.135) 9.089 5.883 ( 2.127 0.000 1.056) 2.374 6.191 ( 11.359 0.000 -2.096) 11.550 6.249 ( 3.935 -0.000 5.478) 6.745 6.314 ( 12.779 0.000 3.496) 13.248 6.491 ( -22.615 -0.000 -0.133) 22.616 6.672 ( 1.661 0.000 -1.652) 2.343 6.984 ( 9.564 0.000 2.360) 9.851 7.276 ( -7.110 -0.000 19.939) 21.169 7.410 ( -10.996 -0.000 -2.778) 11.341 7.593 ( 3.610 0.000 -0.941) 3.730 8.350 ( 10.805 0.000 -19.814) 22.569 8.567 ( -7.010 -0.000 12.265) 14.127 8.714 ( 12.862 0.000 10.276) 16.463 8.927 ( -5.620 0.000 -13.250) 14.393 9.475 ( 5.281 -0.000 6.849) 8.648 9.671 ( 9.636 0.000 6.101) 11.405 9.908 ( 2.437 -0.000 5.275) 5.811 10.326 ( -0.815 0.000 -8.923) 8.960 10.359 ( 4.274 0.000 -8.786) 9.770 10.510 ( -1.216 -0.000 10.314) 10.385 10.812 ( -7.457 0.000 -16.588) 18.187 11.346 ( 3.868 -0.000 6.633) 7.678 11.429 ( -3.332 -0.000 0.139) 3.335 11.430 ( -22.808 -0.000 -10.056) 24.926 11.950 ( -2.075 -0.000 -0.541) 2.144 12.385 ( 2.290 0.000 -0.817) 2.431 12.455 ( 10.521 0.000 -0.429) 10.530 12.520 ( 1.376 -0.000 3.914) 4.149 13.000 ( 9.883 0.000 -9.644) 13.809 13.295 ( 6.885 0.000 3.210) 7.597 13.488 ( -7.913 -0.000 -0.405) 7.924 14.049 ( 6.532 0.000 -0.065) 6.532 14.251 ( -4.622 -0.000 6.400) 7.894 15.183 ( 4.632 0.000 -9.212) 10.311 17.474 ( -1.378 0.000 -2.354) 2.728 17.896 ( 0.796 -0.000 5.177) 5.238 18.085 ( -2.761 -0.000 -1.982) 3.399 19.065 ( -2.171 -0.000 12.339) 12.528 19.231 ( -7.558 -0.000 6.265) 9.817 19.830 ( 1.635 0.000 -2.391) 2.897 19.936 ( 5.256 0.000 -10.188) 11.464 21.380 ( -0.467 0.000 -5.899) 5.918 21.670 ( 5.391 0.000 4.682) 7.140 22.272 ( 9.151 -0.000 14.815) 17.413 23.375 ( -6.355 -0.000 -2.216) 6.730 23.399 ( -8.341 0.000 -10.167) 13.151 24.624 ( 8.735 0.000 2.157) 8.997 24.944 ( -4.667 -0.000 -2.495) 5.293======================= Grid point 76 (62/96) =======================q-point: ( 0.29 -0.14 -0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.395 ( 12.101 0.000 5.358) 13.234 2.225 ( -22.038 -0.000 13.706) 25.953 2.471 ( 6.387 0.000 -8.461) 10.601 2.649 ( -8.084 -0.000 -4.022) 9.029 2.763 ( 6.058 -0.000 6.511) 8.893 3.027 ( -9.501 -0.000 9.333) 13.318 3.388 ( -10.220 -0.000 10.217) 14.451 3.903 ( -5.909 -0.000 5.221) 7.885 3.939 ( -6.770 0.000 -15.244) 16.680 4.157 ( -6.373 -0.000 12.475) 14.009 4.334 ( -26.865 -0.000 -0.503) 26.870 4.658 ( -17.842 -0.000 7.230) 19.251 4.783 ( 5.703 -0.000 6.833) 8.901 4.871 ( -6.683 -0.000 -6.959) 9.648 5.207 ( 9.259 0.000 -4.681) 10.375 5.294 ( -3.541 -0.000 3.112) 4.714 5.402 ( 10.123 0.000 -1.600) 10.248 5.548 ( -7.398 0.000 -12.172) 14.244 5.828 ( -5.879 -0.000 -1.043) 5.971 5.888 ( -4.398 -0.000 14.951) 15.584 5.980 ( -19.796 -0.000 3.377) 20.082 6.401 ( 12.352 0.000 2.618) 12.626 6.545 ( -13.244 -0.000 -4.138) 13.875 6.776 ( 4.609 0.000 -3.178) 5.599 7.019 ( 2.941 -0.000 5.465) 6.206 7.037 ( 9.490 0.000 7.912) 12.355 7.435 ( 3.757 0.000 -10.453) 11.107 7.678 ( 7.020 0.000 1.154) 7.115 8.183 ( -0.838 -0.000 10.274) 10.308 8.877 ( -0.904 0.000 -15.134) 15.161 8.897 ( 14.248 0.000 4.518) 14.948 9.071 ( -0.564 0.000 -8.333) 8.352 9.502 ( 7.487 0.000 3.296) 8.181 9.749 ( 7.046 0.000 -2.003) 7.325 10.045 ( 10.149 0.000 -0.096) 10.149 10.210 ( 2.352 -0.000 13.079) 13.289 10.343 ( -2.995 -0.000 4.817) 5.672 10.619 ( 5.155 0.000 -8.092) 9.595 10.933 ( -7.159 0.000 -8.679) 11.251 11.043 ( -28.809 -0.000 -5.040) 29.247 11.367 ( -0.650 -0.000 2.751) 2.827 11.449 ( 10.974 0.000 -2.691) 11.299 11.898 ( -4.693 -0.000 -1.014) 4.801 12.470 ( 3.716 0.000 -1.811) 4.134 12.572 ( 9.525 0.000 1.404) 9.628 12.747 ( 10.324 0.000 -5.798) 11.841 13.258 ( -5.298 -0.000 0.967) 5.386 13.386 ( 4.720 0.000 -6.128) 7.735 13.510 ( 11.078 0.000 -3.816) 11.717 13.986 ( -4.639 -0.000 9.087) 10.203 14.121 ( -0.561 0.000 -0.844) 1.014 15.533 ( 8.075 0.000 -12.450) 14.839 17.487 ( -2.069 0.000 -2.465) 3.218 17.810 ( 1.051 -0.000 4.925) 5.036 18.144 ( 0.470 0.000 -5.794) 5.813 18.737 ( -0.451 -0.000 19.062) 19.068 18.967 ( -8.279 -0.000 4.276) 9.318 19.728 ( -13.284 -0.000 0.137) 13.285 20.197 ( 3.995 0.000 -6.375) 7.523 21.359 ( -8.117 -0.000 -2.987) 8.649 21.737 ( 7.746 0.000 1.809) 7.955 22.452 ( 29.018 0.000 8.068) 30.118 23.250 ( -7.558 -0.000 0.341) 7.565 23.455 ( -5.436 0.000 -9.123) 10.620 24.688 ( 2.145 0.000 1.584) 2.666 24.855 ( -8.442 -0.000 -1.354) 8.550======================= Grid point 77 (63/96) =======================q-point: ( 0.14 -0.14 -0.14)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( -12.098 -0.000 0.000) 12.098 1.467 ( -34.474 -0.000 0.000) 34.474 2.271 ( -19.376 -0.000 0.000) 19.376 2.521 ( -7.662 -0.000 0.000) 7.662 2.779 ( -10.234 -0.000 0.000) 10.234 2.843 ( -61.392 -0.000 0.000) 61.392 3.128 ( 29.491 0.000 -0.000) 29.491 3.416 ( 15.712 0.000 -0.000) 15.712 4.018 ( -3.978 -0.000 0.000) 3.978 4.055 ( -0.210 -0.000 0.000) 0.210 4.236 ( -14.136 -0.000 0.000) 14.136 4.313 ( 3.415 0.000 -0.000) 3.415 4.748 ( -0.270 -0.000 0.000) 0.270 4.912 ( -9.917 -0.000 0.000) 9.917 5.047 ( 2.016 0.000 -0.000) 2.016 5.162 ( -25.804 -0.000 0.000) 25.804 5.442 ( 8.266 0.000 -0.000) 8.266 5.582 ( -9.050 -0.000 0.000) 9.050 5.666 ( -9.374 -0.000 0.000) 9.374 5.678 ( 11.480 0.000 -0.000) 11.480 5.943 ( 5.588 0.000 -0.000) 5.588 6.124 ( -26.247 -0.000 0.000) 26.247 6.648 ( 14.160 0.000 -0.000) 14.160 6.872 ( 0.180 0.000 -0.000) 0.180 6.998 ( 0.857 0.000 -0.000) 0.857 7.209 ( 11.905 0.000 -0.000) 11.905 7.673 ( 6.222 0.000 -0.000) 6.222 7.808 ( 6.394 0.000 -0.000) 6.394 8.169 ( 5.514 0.000 -0.000) 5.514 8.942 ( -5.590 -0.000 0.000) 5.590 9.022 ( -7.817 -0.000 0.000) 7.817 9.089 ( 10.090 0.000 -0.000) 10.090 9.643 ( 9.844 0.000 -0.000) 9.844 9.974 ( -5.132 -0.000 0.000) 5.132 10.071 ( 12.740 0.000 -0.000) 12.740 10.176 ( -1.306 -0.000 0.000) 1.306 10.404 ( 12.784 0.000 -0.000) 12.784 10.584 ( -19.070 -0.000 0.000) 19.070 10.789 ( -11.101 -0.000 0.000) 11.101 10.858 ( 7.468 0.000 -0.000) 7.468 11.348 ( 1.059 0.000 -0.000) 1.059 11.775 ( 15.956 0.000 -0.000) 15.956 11.788 ( -7.133 -0.000 0.000) 7.133 12.573 ( 3.844 0.000 -0.000) 3.844 12.818 ( 15.754 0.000 -0.000) 15.754 13.006 ( 8.084 0.000 -0.000) 8.084 13.071 ( -7.797 -0.000 0.000) 7.797 13.499 ( -13.059 -0.000 0.000) 13.059 13.616 ( 7.005 0.000 -0.000) 7.005 14.028 ( 14.815 0.000 -0.000) 14.815 14.053 ( -7.182 -0.000 0.000) 7.182 15.877 ( 9.217 0.000 -0.000) 9.217 17.469 ( -2.477 -0.000 0.000) 2.477 17.786 ( 1.777 0.000 -0.000) 1.777 18.260 ( 0.444 0.000 -0.000) 0.444 18.429 ( -0.189 -0.000 0.000) 0.189 18.770 ( -7.176 -0.000 0.000) 7.176 19.373 ( -20.595 -0.000 0.000) 20.595 20.320 ( 2.458 0.000 -0.000) 2.458 21.281 ( -2.036 -0.000 0.000) 2.036 21.880 ( 7.552 0.000 -0.000) 7.552 22.955 ( 28.586 0.000 -0.000) 28.586 23.100 ( -6.523 -0.000 0.000) 6.523 23.490 ( -2.178 -0.000 0.000) 2.178 24.650 ( -13.588 -0.000 0.000) 13.588 24.692 ( -0.128 -0.000 0.000) 0.128======================= Grid point 79 (64/96) =======================q-point: ( 0.44 -0.16 0.16)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.842 ( 0.000 -22.055 5.814) 22.809 2.451 ( -0.000 17.070 16.268) 23.581 2.599 ( -0.000 27.804 3.181) 27.985 2.766 ( 0.000 -0.177 2.212) 2.219 3.003 ( 0.000 -2.563 -11.856) 12.130 3.242 ( -0.000 6.530 -4.226) 7.779 3.434 ( 0.000 -3.384 -9.833) 10.399 3.748 ( -0.000 7.728 2.821) 8.226 4.245 ( -0.000 26.415 10.972) 28.603 4.380 ( -0.000 2.297 8.447) 8.753 4.522 ( 0.000 -9.593 -4.038) 10.408 4.543 ( -0.000 9.118 -9.445) 13.128 4.662 ( 0.000 -4.084 -0.540) 4.119 4.765 ( 0.000 -5.944 -11.154) 12.639 4.807 ( -0.000 3.308 -1.935) 3.832 5.112 ( 0.000 -1.031 4.535) 4.651 5.333 ( 0.000 -6.758 11.686) 13.499 5.340 ( -0.000 4.123 -1.481) 4.381 5.672 ( 0.000 -4.392 1.572) 4.665 5.986 ( 0.000 -0.263 -3.586) 3.595 6.121 ( -0.000 17.628 1.606) 17.701 6.562 ( 0.000 -1.627 3.322) 3.699 6.592 ( -0.000 10.028 -4.721) 11.083 6.715 ( 0.000 -1.664 -9.950) 10.088 7.144 ( -0.000 4.905 2.431) 5.475 7.277 ( 0.000 -12.119 9.571) 15.443 7.591 ( 0.000 -4.604 -5.005) 6.801 8.126 ( 0.000 -6.580 4.484) 7.963 8.148 ( -0.000 1.103 1.983) 2.269 8.463 ( 0.000 -9.828 1.202) 9.901 9.056 ( 0.000 -8.155 13.727) 15.966 9.108 ( -0.000 13.269 -15.508) 20.410 9.509 ( 0.000 -4.225 -1.267) 4.411 9.724 ( 0.000 -1.661 1.724) 2.394 9.763 ( -0.000 11.104 -4.982) 12.171 10.118 ( 0.000 -13.222 10.652) 16.978 10.405 ( -0.000 6.283 3.185) 7.044 10.552 ( 0.000 -5.706 0.191) 5.709 10.992 ( 0.000 -0.116 -6.759) 6.760 11.001 ( -0.000 3.100 5.158) 6.018 11.937 ( -0.000 5.899 2.769) 6.516 11.968 ( -0.000 3.884 -16.680) 17.126 12.139 ( -0.000 2.775 1.250) 3.043 12.176 ( 0.000 -11.053 -7.942) 13.610 12.324 ( 0.000 -5.013 -2.771) 5.728 12.621 ( 0.000 -3.683 -7.926) 8.740 12.729 ( 0.000 -5.084 -3.050) 5.929 13.350 ( 0.000 -4.590 6.051) 7.595 13.578 ( 0.000 -6.198 8.620) 10.617 13.794 ( -0.000 0.062 -0.919) 0.921 14.078 ( -0.000 9.370 -4.699) 10.482 15.145 ( 0.000 -2.966 8.236) 8.754 17.581 ( 0.000 -1.591 -2.535) 2.993 17.691 ( -0.000 3.926 1.997) 4.404 18.614 ( 0.000 -8.957 5.258) 10.387 18.872 ( -0.000 11.260 6.488) 12.995 18.920 ( -0.000 10.779 -7.844) 13.331 19.742 ( -0.000 11.093 7.532) 13.409 20.341 ( 0.000 -25.839 13.137) 28.987 20.829 ( 0.000 -9.175 -8.104) 12.241 21.573 ( 0.000 -4.926 6.082) 7.826 22.604 ( -0.000 19.710 -22.276) 29.744 23.623 ( 0.000 -4.491 1.113) 4.627 23.797 ( 0.000 -0.566 -0.170) 0.591 23.961 ( 0.000 -0.362 3.781) 3.798 24.923 ( -0.000 3.694 -1.129) 3.862======================= Grid point 80 (65/96) =======================q-point: ( 0.30 -0.16 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( -10.343 -26.583 1.570) 28.567 2.150 ( 7.242 10.282 14.231) 18.992 2.449 ( -5.022 23.349 8.781) 25.446 2.738 ( 1.212 0.704 3.732) 3.987 3.298 ( -5.354 4.944 -5.793) 9.310 3.378 ( 7.781 5.880 -9.158) 13.378 3.611 ( -1.825 -2.671 4.488) 5.532 3.840 ( 12.754 2.468 -9.034) 15.823 4.057 ( 7.221 25.934 4.195) 27.246 4.352 ( 14.560 14.467 8.544) 22.233 4.513 ( -8.622 2.969 -3.203) 9.665 4.605 ( -8.111 2.341 -2.183) 8.720 4.648 ( -0.875 16.487 5.919) 17.539 4.724 ( -4.947 -7.261 -4.269) 9.768 4.904 ( -6.459 -4.177 -7.125) 10.485 5.136 ( 6.317 -3.241 0.472) 7.115 5.252 ( 5.517 7.708 1.654) 9.622 5.461 ( 8.915 2.538 0.429) 9.279 5.734 ( 3.242 -3.752 -4.399) 6.629 5.976 ( -5.782 0.585 -0.299) 5.819 6.179 ( 3.851 13.531 3.133) 14.413 6.425 ( -1.151 -7.297 0.558) 7.408 6.596 ( -3.857 2.455 0.998) 4.680 6.875 ( -2.863 -4.279 -8.400) 9.852 6.974 ( -1.694 5.001 7.339) 9.041 7.199 ( 2.180 -5.447 3.019) 6.598 7.527 ( -3.860 -1.306 9.499) 10.336 7.843 ( -14.184 -1.344 1.777) 14.358 8.274 ( 4.108 -7.869 -2.169) 9.138 8.634 ( 10.879 -15.151 0.725) 18.666 8.883 ( 2.699 -11.873 -2.907) 12.518 9.299 ( -4.862 8.975 -9.026) 13.625 9.528 ( -1.857 7.984 -2.188) 8.484 9.703 ( 1.490 -7.947 0.774) 8.122 9.865 ( -4.878 -4.475 1.269) 6.740 9.888 ( -0.277 -0.820 3.299) 3.410 10.269 ( -3.139 6.847 7.742) 10.802 10.653 ( -0.169 -0.981 -10.369) 10.417 10.900 ( -0.913 6.758 2.481) 7.256 11.076 ( 4.424 4.172 4.456) 7.539 11.846 ( -12.730 2.880 -2.583) 13.305 11.941 ( -4.673 1.489 0.209) 4.909 12.161 ( -6.616 1.606 -8.932) 11.231 12.366 ( -0.072 -4.055 -2.613) 4.824 12.447 ( 8.977 -10.366 -2.203) 13.889 12.661 ( 1.023 -8.798 4.175) 9.792 12.932 ( -0.968 -14.276 -9.602) 17.233 13.128 ( -5.745 -3.180 1.683) 6.779 13.661 ( 14.909 -5.743 3.161) 16.287 13.749 ( -1.645 -0.314 1.800) 2.459 14.258 ( 6.257 5.708 -5.555) 10.129 14.962 ( 0.991 2.390 8.266) 8.661 17.624 ( -0.438 -2.698 -2.058) 3.421 17.649 ( -0.097 4.490 1.493) 4.733 18.476 ( -4.588 -2.246 2.474) 5.676 18.687 ( -3.727 7.972 8.121) 11.975 19.207 ( 9.931 14.228 -9.709) 19.883 19.635 ( 7.970 15.305 10.363) 20.128 20.080 ( -5.983 -25.584 6.606) 27.092 21.067 ( 1.041 -3.494 -7.848) 8.653 21.398 ( 0.229 -10.220 3.777) 10.898 22.970 ( -6.841 -1.153 -9.804) 12.010 23.395 ( -10.451 5.425 -7.232) 13.819 23.785 ( -5.662 3.782 7.925) 10.448 24.095 ( 18.473 -3.491 -0.078) 18.800 24.944 ( 0.189 5.016 -0.563) 5.051======================= Grid point 81 (66/96) =======================q-point: ( 0.16 -0.16 0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.488 ( -0.841 -25.604 0.000) 25.618 2.263 ( 17.205 5.055 -0.000) 17.932 2.293 ( -0.761 15.481 -0.000) 15.500 2.699 ( -1.542 -0.490 0.000) 1.618 3.164 ( -15.140 16.292 -0.000) 22.241 3.396 ( -4.419 -13.486 0.000) 14.191 3.474 ( -4.477 -4.352 0.000) 6.244 3.963 ( -8.434 7.922 -0.000) 11.571 4.338 ( -13.097 16.131 -0.000) 20.779 4.343 ( 4.907 0.060 -0.000) 4.908 4.519 ( 7.365 3.648 -0.000) 8.219 4.555 ( 6.622 13.180 -0.000) 14.750 4.776 ( 7.423 24.567 -0.000) 25.664 4.817 ( 6.332 -15.373 0.000) 16.626 4.868 ( 15.833 11.421 -0.000) 19.523 5.118 ( 1.565 0.693 -0.000) 1.712 5.468 ( 7.174 9.147 -0.000) 11.625 5.637 ( 4.438 1.903 -0.000) 4.829 5.778 ( -11.200 -8.662 0.000) 14.158 5.823 ( 7.246 1.845 -0.000) 7.477 6.132 ( -3.344 10.740 -0.000) 11.249 6.423 ( -11.367 -10.400 0.000) 15.407 6.511 ( 6.080 -1.638 0.000) 6.296 6.796 ( -4.209 2.233 -0.000) 4.765 7.052 ( -3.291 -7.354 0.000) 8.057 7.151 ( -2.674 -2.192 0.000) 3.457 7.265 ( -2.486 6.341 -0.000) 6.811 7.600 ( -8.555 -0.945 0.000) 8.607 8.464 ( 11.566 -10.968 0.000) 15.940 8.636 ( 2.626 -14.394 0.000) 14.632 9.127 ( 0.650 -11.569 0.000) 11.587 9.370 ( 3.252 -1.415 0.000) 3.547 9.403 ( -10.085 13.506 -0.000) 16.856 9.670 ( -3.007 0.321 0.000) 3.025 9.815 ( 4.683 -5.563 0.000) 7.272 9.861 ( -1.845 -11.165 0.000) 11.316 10.081 ( -4.467 10.653 -0.000) 11.551 10.686 ( -9.350 5.007 -0.000) 10.606 10.988 ( 9.433 1.622 -0.000) 9.572 11.095 ( 6.145 9.825 -0.000) 11.589 11.578 ( -17.710 -0.097 0.000) 17.710 11.738 ( -10.520 -0.495 0.000) 10.532 12.316 ( 4.430 10.705 -0.000) 11.585 12.411 ( 8.475 3.299 -0.000) 9.094 12.505 ( -2.549 -7.337 0.000) 7.767 12.721 ( 3.347 -19.301 0.000) 19.589 12.996 ( -2.178 -17.095 0.000) 17.233 13.060 ( 5.353 -2.510 0.000) 5.912 13.607 ( -7.113 -0.202 0.000) 7.116 13.823 ( -2.362 8.655 -0.000) 8.971 14.509 ( 12.488 -16.726 0.000) 20.874 14.970 ( 6.370 11.228 -0.000) 12.909 17.637 ( -0.636 -2.866 0.000) 2.935 17.643 ( 0.837 3.712 -0.000) 3.805 18.383 ( -3.265 4.731 -0.000) 5.748 18.486 ( -5.540 2.096 -0.000) 5.924 19.528 ( 9.236 15.827 -0.000) 18.325 19.706 ( 6.787 5.792 -0.000) 8.922 19.911 ( 0.125 -20.265 0.000) 20.266 20.947 ( -13.923 12.736 -0.000) 18.869 21.629 ( 18.975 -16.677 0.000) 25.262 22.755 ( -14.576 -15.701 0.000) 21.424 23.439 ( -8.770 6.601 -0.000) 10.977 23.512 ( -4.388 9.940 -0.000) 10.865 24.436 ( 15.131 -3.898 0.000) 15.625 24.942 ( -1.200 5.273 -0.000) 5.408======================= Grid point 94 (67/96) =======================q-point: (-0.39 -0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.633 ( 0.000 -17.629 14.931) 23.103 2.552 ( 0.000 -2.557 -22.348) 22.494 2.583 ( 0.000 -8.319 -7.797) 11.402 2.868 ( -0.000 1.720 0.272) 1.741 3.031 ( -0.000 15.326 -8.034) 17.304 3.328 ( -0.000 12.508 -2.651) 12.786 3.573 ( -0.000 17.772 3.670) 18.147 3.885 ( -0.000 2.624 -8.842) 9.223 4.129 ( 0.000 -14.338 -3.036) 14.656 4.243 ( 0.000 -0.366 -16.683) 16.687 4.360 ( 0.000 -12.080 -0.467) 12.089 4.422 ( 0.000 -15.222 -0.479) 15.229 4.553 ( -0.000 2.231 2.889) 3.650 4.800 ( -0.000 9.293 4.601) 10.369 4.887 ( -0.000 1.157 -3.273) 3.472 5.133 ( -0.000 0.014 2.369) 2.369 5.338 ( -0.000 1.814 -2.667) 3.225 5.401 ( 0.000 -8.678 6.151) 10.636 5.758 ( -0.000 3.765 -0.107) 3.767 6.208 ( -0.000 13.245 7.078) 15.017 6.367 ( -0.000 10.012 -10.567) 14.557 6.518 ( -0.000 7.905 -6.097) 9.983 6.595 ( 0.000 -3.012 -8.168) 8.705 6.606 ( 0.000 -0.076 1.719) 1.721 7.091 ( -0.000 0.265 -0.190) 0.326 7.335 ( 0.000 -5.107 15.014) 15.859 7.399 ( 0.000 -3.869 -1.981) 4.347 8.062 ( 0.000 -8.347 4.234) 9.359 8.214 ( 0.000 -7.129 -8.068) 10.766 8.449 ( -0.000 0.771 15.924) 15.943 8.920 ( -0.000 3.465 -19.370) 19.678 9.233 ( -0.000 2.013 7.201) 7.477 9.385 ( 0.000 -4.102 0.298) 4.113 9.766 ( 0.000 -7.920 15.025) 16.985 9.955 ( -0.000 13.873 -5.222) 14.823 10.078 ( 0.000 -8.654 5.074) 10.032 10.490 ( -0.000 1.966 -3.702) 4.192 10.577 ( 0.000 -1.419 10.770) 10.863 10.759 ( 0.000 -2.305 -10.274) 10.530 11.000 ( 0.000 -5.042 -3.904) 6.377 11.790 ( -0.000 7.672 -13.467) 15.499 11.878 ( 0.000 -6.293 -5.277) 8.213 12.048 ( -0.000 1.036 7.017) 7.093 12.153 ( 0.000 -3.755 -6.791) 7.760 12.341 ( -0.000 4.395 8.151) 9.261 12.484 ( 0.000 -2.261 1.640) 2.794 12.840 ( -0.000 7.736 7.438) 10.732 13.426 ( 0.000 -0.508 6.594) 6.614 13.593 ( 0.000 -6.231 6.108) 8.726 13.717 ( 0.000 -1.618 -5.729) 5.953 14.107 ( -0.000 3.582 -5.593) 6.642 15.247 ( 0.000 -0.273 6.631) 6.636 17.477 ( 0.000 -2.406 -2.850) 3.730 17.860 ( -0.000 6.896 2.446) 7.317 18.513 ( 0.000 -7.409 2.384) 7.783 18.972 ( -0.000 11.250 -9.121) 14.483 19.252 ( -0.000 16.072 6.059) 17.176 19.593 ( 0.000 -15.010 -12.544) 19.561 20.133 ( 0.000 -24.515 15.403) 28.952 20.881 ( -0.000 7.744 8.133) 11.230 21.648 ( 0.000 -0.321 7.080) 7.087 22.684 ( -0.000 22.869 -13.214) 26.412 23.586 ( 0.000 -3.021 3.064) 4.303 23.641 ( 0.000 -10.386 -4.447) 11.298 24.012 ( -0.000 0.161 1.140) 1.151 24.926 ( -0.000 1.074 -3.383) 3.550======================= Grid point 95 (68/96) =======================q-point: ( 0.47 -0.19 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.279 ( -5.039 -20.898 14.436) 25.894 2.480 ( 5.158 -8.486 17.808) 20.389 2.757 ( -1.277 0.054 1.172) 1.734 2.923 ( -11.132 19.012 -5.367) 22.675 3.195 ( -6.001 -0.548 -4.481) 7.510 3.362 ( 2.223 -4.778 -12.993) 14.021 3.671 ( 10.874 22.819 -2.440) 25.395 4.018 ( 3.479 11.346 3.685) 12.426 4.188 ( -2.718 -11.093 -4.493) 12.273 4.221 ( -3.087 -13.293 -0.101) 13.647 4.440 ( -1.479 -1.017 0.892) 2.004 4.580 ( -2.407 0.893 -19.405) 19.574 4.692 ( -0.891 -1.758 -3.753) 4.239 4.765 ( 8.922 7.227 1.161) 11.541 4.899 ( 2.074 1.285 -2.612) 3.574 5.214 ( 10.842 3.685 3.829) 12.074 5.381 ( -1.025 4.227 -4.059) 5.949 5.464 ( 12.555 -1.232 0.669) 12.633 5.732 ( 3.551 8.704 -0.667) 9.424 6.075 ( -1.654 6.411 5.512) 8.616 6.382 ( -14.771 -1.374 2.724) 15.083 6.498 ( 5.646 9.450 1.217) 11.076 6.571 ( -14.652 -2.380 -1.754) 14.947 6.719 ( 2.643 0.266 -2.557) 3.687 7.103 ( -0.546 -8.740 -1.663) 8.914 7.224 ( 5.895 5.692 6.084) 10.207 7.492 ( 2.529 -5.702 -1.654) 6.453 7.903 ( -9.542 -2.224 9.305) 13.512 8.162 ( 0.540 -2.069 -4.311) 4.812 8.357 ( 4.527 -7.871 0.949) 9.129 8.933 ( -0.924 -4.099 21.551) 21.956 9.225 ( -5.941 4.513 -15.487) 17.191 9.366 ( -2.901 -6.415 -2.672) 7.530 9.549 ( 2.787 -12.849 6.073) 14.483 9.956 ( -2.984 0.208 9.127) 9.605 10.067 ( 1.049 14.828 -5.351) 15.799 10.453 ( -2.778 -1.391 -5.873) 6.644 10.509 ( -0.946 4.651 2.310) 5.278 10.967 ( -1.196 1.405 -10.722) 10.880 11.127 ( 7.806 -1.435 2.199) 8.236 11.792 ( -14.607 3.393 -6.008) 16.154 11.959 ( -6.822 0.408 -5.425) 8.726 12.023 ( 0.683 -3.950 -4.055) 5.702 12.189 ( 6.605 -6.487 4.332) 10.221 12.356 ( 3.719 -0.178 0.395) 3.744 12.577 ( 5.467 -2.507 -6.179) 8.623 12.650 ( -4.513 -3.109 5.653) 7.873 13.229 ( -4.366 3.430 7.334) 9.199 13.614 ( 14.219 -7.448 5.827) 17.077 13.751 ( -3.380 -0.827 -0.999) 3.620 14.273 ( 3.137 4.518 -5.289) 7.631 15.097 ( -1.490 0.244 4.660) 4.899 17.529 ( -0.460 -1.938 -2.785) 3.424 17.797 ( -0.347 5.970 3.282) 6.822 18.407 ( -5.731 -6.348 0.819) 8.591 19.059 ( -3.568 11.268 9.588) 15.219 19.278 ( 9.700 13.266 -10.841) 19.688 19.782 ( -4.624 -19.535 5.719) 20.874 19.854 ( 2.534 -6.241 -1.179) 6.838 20.902 ( 14.511 0.335 4.317) 15.143 21.463 ( -3.880 2.698 6.248) 7.834 22.817 ( -12.807 0.607 -5.425) 13.922 23.399 ( -7.116 8.555 -6.007) 12.645 23.804 ( -2.289 -7.927 -1.672) 8.418 24.092 ( 14.867 0.566 2.566) 15.097 24.987 ( 0.193 2.223 -2.448) 3.312======================= Grid point 96 (69/96) =======================q-point: ( 0.33 -0.19 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 245Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.026 ( 5.770 -22.769 8.237) 24.891 2.326 ( 14.240 -9.556 14.589) 22.515 2.610 ( -15.778 13.687 -1.115) 20.917 2.706 ( -4.976 -0.901 2.163) 5.500 3.121 ( -9.090 -3.332 -5.267) 11.021 3.493 ( -6.197 3.306 5.138) 8.702 3.593 ( -6.787 7.133 3.347) 10.400 4.083 ( -4.147 -0.363 6.081) 7.369 4.221 ( 13.893 -3.619 -1.617) 14.447 4.320 ( 0.073 -14.296 -5.766) 15.415 4.381 ( -14.582 -3.223 -2.956) 15.223 4.695 ( 6.780 10.991 -7.104) 14.740 4.819 ( 4.095 14.743 -2.759) 15.548 4.895 ( -2.802 8.941 -10.375) 13.980 5.184 ( 11.745 0.738 -0.073) 11.768 5.369 ( 2.068 3.019 -5.692) 6.767 5.499 ( 5.042 13.512 -1.238) 14.475 5.744 ( -8.783 3.672 0.358) 9.526 5.758 ( 13.996 6.366 3.552) 15.781 5.883 ( 1.415 4.188 6.476) 7.841 6.172 ( -19.976 -10.606 3.990) 22.966 6.295 ( 6.652 -7.172 -7.679) 12.436 6.562 ( 6.086 6.691 6.175) 10.951 6.797 ( -0.441 -1.290 -3.161) 3.443 6.969 ( -5.159 -1.311 11.135) 12.342 7.047 ( -9.861 -4.473 -0.011) 10.828 7.495 ( 0.683 2.400 4.180) 4.868 7.610 ( -8.584 1.013 1.309) 8.743 8.339 ( 8.515 0.647 1.889) 8.746 8.482 ( 2.689 -14.744 11.504) 18.893 8.701 ( 5.709 -12.250 -13.919) 19.401 9.286 ( -4.078 3.138 -3.425) 6.181 9.463 ( -5.711 -2.615 -15.196) 16.443 9.505 ( 1.807 -8.900 6.673) 11.270 9.733 ( 3.005 -3.828 7.544) 8.978 10.132 ( -1.132 15.718 5.590) 16.721 10.331 ( -2.299 6.399 5.287) 8.614 10.626 ( -3.134 -0.811 -10.081) 10.589 11.061 ( 4.270 5.391 2.207) 7.223 11.205 ( -0.272 1.239 -5.950) 6.084 11.561 ( -15.430 3.442 -1.820) 15.914 11.819 ( -7.582 4.354 2.471) 9.085 12.231 ( -1.127 -7.626 -10.720) 13.204 12.310 ( 4.292 -4.231 -1.892) 6.317 12.450 ( 8.370 -7.423 -0.337) 11.192 12.495 ( -1.725 -8.141 0.543) 8.339 12.803 ( 9.015 1.952 1.988) 9.436 13.051 ( 3.728 0.239 4.608) 5.932 13.627 ( -6.606 -0.110 1.709) 6.825 13.865 ( 11.133 -2.468 -0.168) 11.404 14.326 ( -1.641 -2.828 0.393) 3.293 15.122 ( 6.769 5.154 -2.030) 8.746 17.564 ( -0.934 -1.610 -2.363) 3.008 17.737 ( 0.313 3.698 2.821) 4.662 18.327 ( -5.704 -2.642 -5.425) 8.304 18.759 ( -4.496 7.505 13.318) 15.934 19.489 ( -8.655 -16.757 4.251) 19.334 19.682 ( 9.324 10.882 -7.388) 16.123 19.986 ( 6.365 3.484 0.142) 7.258 21.223 ( 9.366 9.700 1.070) 13.526 21.323 ( 9.593 -5.815 1.129) 11.274 22.471 ( -18.327 -15.298 3.389) 24.112 23.457 ( -5.994 9.184 -7.967) 13.555 23.693 ( -6.985 0.351 0.894) 7.051 24.379 ( 15.003 -2.029 0.971) 15.171 25.014 ( -1.456 2.892 -1.327) 3.499======================= Grid point 97 (70/96) =======================q-point: ( 0.19 -0.19 -0.39)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.242 ( 20.772 -21.650 0.000) 30.003 2.361 ( -9.872 9.906 -0.000) 13.985 2.521 ( 17.398 -10.539 0.000) 20.341 2.537 ( -10.490 -3.464 0.000) 11.048 3.089 ( -5.886 -6.457 0.000) 8.737 3.091 ( -10.777 -3.492 0.000) 11.328 3.396 ( -18.041 18.462 -0.000) 25.813 3.916 ( -3.032 5.994 -0.000) 6.718 4.133 ( -7.289 -9.463 0.000) 11.945 4.393 ( -3.345 -13.292 0.000) 13.706 4.497 ( 9.386 1.570 -0.000) 9.517 4.772 ( -1.136 13.637 -0.000) 13.685 4.878 ( -10.153 11.847 -0.000) 15.602 4.975 ( -1.218 2.631 -0.000) 2.900 5.251 ( -10.274 -1.885 0.000) 10.446 5.354 ( -3.532 -2.949 0.000) 4.601 5.408 ( -7.707 -5.077 0.000) 9.229 5.717 ( -6.776 -5.344 0.000) 8.630 5.745 ( 8.892 4.559 -0.000) 9.993 5.816 ( 1.874 3.355 -0.000) 3.843 6.277 ( -11.418 3.604 -0.000) 11.974 6.303 ( 22.877 12.882 -0.000) 26.255 6.555 ( -20.031 -1.585 0.000) 20.094 6.663 ( 9.746 -0.267 -0.000) 9.750 6.918 ( 3.318 -9.003 0.000) 9.595 6.961 ( -2.399 -0.954 0.000) 2.582 7.475 ( -3.740 4.632 -0.000) 5.954 7.480 ( 2.917 4.872 -0.000) 5.679 8.296 ( 0.105 -20.900 0.000) 20.900 8.598 ( 15.381 -4.112 0.000) 15.921 9.029 ( 2.908 -2.166 0.000) 3.627 9.261 ( -5.650 -0.483 0.000) 5.671 9.403 ( 5.942 -4.659 0.000) 7.550 9.665 ( -0.477 -0.639 0.000) 0.798 9.819 ( -1.996 10.044 -0.000) 10.240 9.874 ( 12.983 -5.654 0.000) 14.160 10.296 ( -2.796 14.206 -0.000) 14.478 10.605 ( -4.259 2.101 -0.000) 4.748 11.211 ( 2.185 1.420 -0.000) 2.605 11.286 ( -3.987 -1.594 0.000) 4.294 11.307 ( -0.102 2.889 -0.000) 2.891 11.588 ( -14.950 7.221 -0.000) 16.602 12.145 ( -11.724 -13.918 0.000) 18.198 12.400 ( 4.537 0.329 -0.000) 4.549 12.424 ( 0.460 -3.199 0.000) 3.232 12.799 ( 11.308 -16.204 0.000) 19.760 12.994 ( 19.706 13.599 -0.000) 23.943 13.222 ( 11.781 -0.332 -0.000) 11.786 13.448 ( -8.749 0.485 0.000) 8.763 13.899 ( -7.473 9.250 -0.000) 11.892 14.341 ( 4.104 -16.297 0.000) 16.806 15.335 ( 9.774 9.518 -0.000) 13.643 17.574 ( -1.389 -1.718 0.000) 2.209 17.714 ( 0.867 1.866 -0.000) 2.058 18.394 ( -5.997 0.455 0.000) 6.014 18.424 ( -2.099 4.242 -0.000) 4.733 19.264 ( -9.676 -15.183 0.000) 18.004 19.851 ( 0.572 3.901 -0.000) 3.943 20.146 ( 8.430 2.911 -0.000) 8.918 21.097 ( -8.087 25.985 -0.000) 27.214 21.846 ( 29.770 -9.511 0.000) 31.252 22.128 ( -10.244 -21.721 0.000) 24.016 23.380 ( -8.574 3.912 -0.000) 9.424 23.573 ( -4.914 5.828 -0.000) 7.623 24.597 ( 8.360 -2.860 0.000) 8.835 24.970 ( -4.680 3.057 -0.000) 5.590======================= Grid point 101 (71/96) =======================q-point: ( 0.20 -0.20 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( -0.000 30.168 -0.000) 30.168 1.698 ( -0.000 41.856 -0.000) 41.856 2.206 ( 0.000 -14.449 0.000) 14.449 2.626 ( -0.000 59.131 -0.000) 59.131 2.657 ( -0.000 1.198 -0.000) 1.198 3.193 ( -0.000 18.653 -0.000) 18.653 3.568 ( 0.000 -11.903 0.000) 11.903 3.840 ( 0.000 -23.711 0.000) 23.711 3.904 ( -0.000 4.353 -0.000) 4.353 3.984 ( 0.000 -6.155 0.000) 6.155 4.265 ( -0.000 22.989 -0.000) 22.989 4.479 ( -0.000 15.684 -0.000) 15.684 4.555 ( -0.000 12.149 -0.000) 12.149 4.841 ( -0.000 3.963 -0.000) 3.963 5.033 ( -0.000 5.159 -0.000) 5.159 5.126 ( 0.000 -12.951 0.000) 12.951 5.262 ( 0.000 -4.014 0.000) 4.014 5.377 ( 0.000 -4.698 0.000) 4.698 5.647 ( -0.000 14.761 -0.000) 14.761 5.852 ( 0.000 -4.595 0.000) 4.595 6.291 ( -0.000 18.427 -0.000) 18.427 6.371 ( 0.000 -15.028 0.000) 15.028 6.542 ( 0.000 -6.305 0.000) 6.305 6.628 ( -0.000 22.755 -0.000) 22.755 7.360 ( 0.000 -15.366 0.000) 15.366 7.378 ( 0.000 -3.860 0.000) 3.860 7.414 ( 0.000 -16.832 0.000) 16.832 8.129 ( 0.000 -3.451 0.000) 3.451 8.549 ( 0.000 -12.843 0.000) 12.843 8.624 ( 0.000 -9.050 0.000) 9.050 9.071 ( -0.000 26.140 -0.000) 26.140 9.083 ( 0.000 -5.147 0.000) 5.147 9.417 ( -0.000 2.753 -0.000) 2.753 9.737 ( -0.000 0.501 -0.000) 0.501 9.971 ( 0.000 -1.724 0.000) 1.724 10.057 ( -0.000 5.987 -0.000) 5.987 10.073 ( 0.000 -11.711 0.000) 11.711 10.716 ( -0.000 9.662 -0.000) 9.662 10.791 ( -0.000 5.385 -0.000) 5.385 10.958 ( 0.000 -10.242 0.000) 10.242 11.662 ( -0.000 9.021 -0.000) 9.021 12.150 ( 0.000 -2.726 0.000) 2.726 12.400 ( 0.000 -7.002 0.000) 7.002 12.618 ( 0.000 -13.851 0.000) 13.851 12.748 ( 0.000 -13.282 0.000) 13.282 13.033 ( 0.000 -2.033 0.000) 2.033 13.234 ( 0.000 -9.816 0.000) 9.816 13.328 ( 0.000 -4.339 0.000) 4.339 13.338 ( 0.000 -14.724 0.000) 14.724 13.754 ( -0.000 0.262 -0.000) 0.262 14.078 ( -0.000 13.584 -0.000) 13.584 14.643 ( -0.000 9.808 -0.000) 9.808 17.531 ( -0.000 5.008 -0.000) 5.008 17.721 ( 0.000 -4.133 0.000) 4.133 18.449 ( -0.000 3.073 -0.000) 3.073 18.549 ( -0.000 4.296 -0.000) 4.296 18.967 ( -0.000 16.282 -0.000) 16.282 19.033 ( -0.000 12.456 -0.000) 12.456 20.592 ( 0.000 -26.645 0.000) 26.645 21.261 ( 0.000 -0.159 0.000) 0.159 21.639 ( 0.000 -18.861 0.000) 18.861 23.243 ( -0.000 3.606 -0.000) 3.606 23.367 ( -0.000 13.956 -0.000) 13.956 23.711 ( 0.000 -5.072 0.000) 5.072 23.919 ( 0.000 -1.608 0.000) 1.608 24.826 ( -0.000 6.318 -0.000) 6.318======================= Grid point 104 (72/96) =======================q-point: (-0.23 -0.20 0.63)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.721 ( -4.275 8.530 3.814) 10.275 1.947 ( -8.867 -11.616 -2.736) 14.867 3.145 ( 5.064 21.609 -2.344) 22.318 3.185 ( 18.329 2.788 -5.804) 19.427 3.250 ( 2.554 10.402 -2.786) 11.068 3.486 ( 5.857 7.936 -5.539) 11.312 3.645 ( -3.893 -4.132 -3.186) 6.511 3.793 ( -8.107 -0.780 4.434) 9.273 3.953 ( 2.576 5.205 -7.891) 9.798 4.092 ( 1.656 -11.336 -2.200) 11.666 4.209 ( -4.891 -14.874 3.897) 16.135 4.460 ( -13.960 -11.359 4.132) 18.466 4.738 ( 13.683 0.023 3.558) 14.138 4.992 ( 6.464 0.321 -0.996) 6.548 5.012 ( -1.529 0.362 -0.432) 1.630 5.209 ( 5.681 3.803 8.583) 10.973 5.440 ( -2.848 12.464 -4.393) 13.519 5.639 ( 6.756 3.684 -9.986) 12.607 5.797 ( -5.229 -10.168 4.415) 12.257 5.996 ( -5.703 -7.618 0.547) 9.532 6.212 ( 13.634 4.699 -2.870) 14.704 6.358 ( 0.866 0.625 3.279) 3.448 6.654 ( 8.413 -1.483 -0.007) 8.543 6.828 ( -8.566 9.692 -3.322) 13.354 7.209 ( 0.140 1.004 -6.781) 6.856 7.304 ( -5.960 -6.289 2.161) 8.930 7.346 ( 8.782 1.458 -1.186) 8.981 7.620 ( -14.493 -0.972 -8.653) 16.907 8.254 ( 1.675 3.548 10.772) 11.464 8.451 ( -5.894 -5.979 7.243) 11.088 8.939 ( 2.368 7.479 0.659) 7.873 9.138 ( -1.435 -10.060 -1.250) 10.239 9.442 ( -0.292 14.293 -1.293) 14.355 9.725 ( 1.086 -11.574 -0.881) 11.658 10.077 ( 5.258 2.569 2.619) 6.411 10.171 ( 4.334 1.665 1.061) 4.763 10.272 ( -1.991 -9.580 -2.540) 10.109 10.441 ( -12.503 -1.379 0.687) 12.597 10.789 ( -1.738 14.848 -2.792) 15.208 11.004 ( 1.146 -8.115 -2.813) 8.665 11.351 ( 4.562 4.364 -2.301) 6.719 11.561 ( -6.204 -2.771 6.359) 9.306 12.145 ( 4.883 8.018 -1.191) 9.463 12.368 ( -3.870 -4.119 1.250) 5.789 12.486 ( -0.452 -0.632 2.317) 2.444 12.537 ( -1.116 -3.360 6.226) 7.162 13.016 ( 1.018 8.147 2.071) 8.468 13.172 ( 3.632 -8.888 -0.948) 9.649 13.608 ( -3.225 7.478 -0.475) 8.158 13.765 ( -0.593 -9.259 -1.794) 9.450 14.607 ( 8.725 7.575 0.795) 11.581 14.907 ( -7.719 -6.550 2.567) 10.444 17.523 ( 0.481 4.882 -0.067) 4.906 17.657 ( -1.307 -7.245 0.239) 7.366 18.551 ( -1.425 14.038 -2.115) 14.268 18.816 ( -0.822 -13.194 -3.418) 13.654 19.474 ( 17.501 3.459 -2.536) 18.019 19.837 ( -10.021 0.130 -0.398) 10.029 20.242 ( -5.134 22.558 2.820) 23.306 20.697 ( -2.227 -25.912 -3.897) 26.298 21.860 ( 20.415 3.864 4.982) 21.366 22.409 ( -22.506 -7.420 0.679) 23.707 23.231 ( 14.018 1.380 2.126) 14.245 23.463 ( -12.232 4.231 -2.771) 13.236 24.690 ( 10.065 -0.660 1.004) 10.137 24.827 ( -4.797 0.024 -0.801) 4.863======================= Grid point 108 (73/96) =======================q-point: (-0.21 -0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.737 ( 0.000 -0.000 13.299) 13.299 1.981 ( -0.000 0.000 -30.602) 30.602 2.168 ( -0.000 0.000 -27.450) 27.450 2.865 ( -0.000 0.000 -2.287) 2.287 2.993 ( -0.000 0.000 -8.986) 8.986 3.354 ( -0.000 0.000 -33.508) 33.508 3.434 ( -0.000 0.000 -4.813) 4.813 3.809 ( -0.000 0.000 -1.063) 1.063 3.979 ( 0.000 -0.000 0.141) 0.141 4.111 ( -0.000 0.000 -1.188) 1.188 4.219 ( 0.000 -0.000 0.137) 0.137 4.274 ( -0.000 0.000 -0.666) 0.666 4.636 ( 0.000 -0.000 2.871) 2.871 4.696 ( -0.000 0.000 -9.894) 9.894 4.989 ( 0.000 -0.000 6.421) 6.421 5.275 ( 0.000 -0.000 6.585) 6.585 5.313 ( -0.000 0.000 -0.610) 0.610 5.364 ( 0.000 -0.000 1.422) 1.422 5.752 ( -0.000 0.000 -2.336) 2.336 6.132 ( -0.000 0.000 -12.694) 12.694 6.484 ( 0.000 -0.000 1.153) 1.153 6.536 ( 0.000 -0.000 8.626) 8.626 6.542 ( -0.000 0.000 -5.266) 5.266 6.603 ( 0.000 -0.000 0.036) 0.036 7.261 ( 0.000 -0.000 5.940) 5.940 7.332 ( -0.000 0.000 -0.741) 0.741 7.639 ( 0.000 -0.000 18.174) 18.174 7.775 ( -0.000 0.000 -18.832) 18.832 8.000 ( 0.000 -0.000 0.914) 0.914 8.600 ( -0.000 0.000 -15.817) 15.817 8.799 ( 0.000 -0.000 14.589) 14.589 9.296 ( -0.000 0.000 -1.115) 1.115 9.357 ( 0.000 -0.000 0.409) 0.409 9.899 ( -0.000 0.000 -8.596) 8.596 10.006 ( -0.000 0.000 -5.340) 5.340 10.143 ( 0.000 -0.000 26.535) 26.535 10.357 ( -0.000 0.000 -8.267) 8.267 10.586 ( -0.000 0.000 -2.402) 2.402 10.817 ( 0.000 -0.000 8.918) 8.918 10.830 ( -0.000 0.000 -5.697) 5.697 11.703 ( -0.000 0.000 -7.932) 7.932 11.713 ( -0.000 0.000 -5.463) 5.463 11.966 ( -0.000 0.000 -3.573) 3.573 12.283 ( 0.000 -0.000 14.091) 14.091 12.474 ( 0.000 -0.000 3.935) 3.935 12.645 ( 0.000 -0.000 11.708) 11.708 13.104 ( 0.000 -0.000 8.258) 8.258 13.534 ( -0.000 0.000 -9.201) 9.201 13.553 ( 0.000 -0.000 5.561) 5.561 13.598 ( 0.000 -0.000 1.824) 1.824 14.020 ( -0.000 0.000 -6.400) 6.400 15.391 ( 0.000 -0.000 7.574) 7.574 17.403 ( -0.000 0.000 -1.886) 1.886 17.961 ( -0.000 0.000 -0.564) 0.564 18.473 ( 0.000 -0.000 1.448) 1.448 18.996 ( -0.000 0.000 -7.769) 7.769 19.071 ( -0.000 0.000 -13.910) 13.910 19.713 ( 0.000 -0.000 9.140) 9.140 19.990 ( 0.000 -0.000 10.903) 10.903 21.106 ( 0.000 -0.000 6.006) 6.006 21.808 ( 0.000 -0.000 7.709) 7.709 22.877 ( -0.000 0.000 -2.778) 2.778 23.298 ( -0.000 0.000 -9.465) 9.465 23.630 ( 0.000 -0.000 4.404) 4.404 24.016 ( -0.000 0.000 -0.736) 0.736 24.853 ( -0.000 0.000 -4.543) 4.543======================= Grid point 109 (74/96) =======================q-point: (-0.36 -0.21 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.410 ( -1.913 -0.000 17.797) 17.899 2.543 ( 5.167 0.000 -2.972) 5.960 2.654 ( 7.197 0.000 -15.207) 16.824 2.921 ( 7.088 0.000 -8.769) 11.275 3.100 ( -3.922 0.000 -4.455) 5.935 3.154 ( -28.775 -0.000 -5.532) 29.302 3.821 ( 5.709 0.000 -8.465) 10.210 3.923 ( -5.669 -0.000 -4.819) 7.440 4.182 ( 1.481 -0.000 4.008) 4.273 4.197 ( 10.026 0.000 -13.341) 16.688 4.324 ( 11.898 0.000 -8.895) 14.856 4.346 ( 6.788 0.000 6.354) 9.298 4.566 ( -0.164 -0.000 1.478) 1.487 4.821 ( -3.648 0.000 -4.320) 5.654 4.898 ( 3.937 0.000 3.207) 5.078 5.303 ( 11.782 0.000 3.327) 12.243 5.315 ( -3.983 0.000 -5.190) 6.542 5.430 ( 12.717 0.000 2.502) 12.961 5.858 ( 1.415 0.000 -3.727) 3.987 6.147 ( -13.385 -0.000 -2.857) 13.686 6.290 ( -15.914 -0.000 -12.790) 20.417 6.510 ( 3.144 -0.000 3.958) 5.055 6.598 ( 1.778 0.000 -0.615) 1.881 6.819 ( 6.051 0.000 -3.132) 6.813 6.953 ( -8.063 -0.000 9.847) 12.727 7.352 ( -1.115 0.000 -3.368) 3.547 7.483 ( 9.899 0.000 9.716) 13.870 7.971 ( -0.162 -0.000 2.086) 2.092 8.151 ( 5.541 0.000 -11.295) 12.581 8.332 ( -11.895 -0.000 16.694) 20.498 8.912 ( -4.266 0.000 -13.512) 14.169 9.296 ( -4.884 -0.000 5.530) 7.378 9.380 ( 7.280 0.000 0.351) 7.288 9.569 ( 1.182 -0.000 26.977) 27.003 10.012 ( -3.463 0.000 -6.495) 7.360 10.127 ( 0.430 0.000 -6.533) 6.547 10.399 ( -6.919 -0.000 2.772) 7.454 10.603 ( 1.697 -0.000 4.460) 4.772 10.711 ( -2.045 0.000 -12.090) 12.262 11.036 ( 7.790 0.000 -7.414) 10.754 11.755 ( -8.294 -0.000 -4.350) 9.365 11.852 ( 1.756 0.000 -6.240) 6.483 11.914 ( -9.195 -0.000 -0.956) 9.244 12.250 ( 7.699 0.000 5.896) 9.697 12.401 ( -0.677 -0.000 2.754) 2.836 12.511 ( 7.514 0.000 4.272) 8.643 12.787 ( -9.950 -0.000 8.169) 12.874 13.426 ( -6.980 -0.000 3.478) 7.799 13.624 ( 14.989 0.000 5.906) 16.110 13.684 ( -2.271 0.000 -3.747) 4.381 14.208 ( 5.391 0.000 -5.871) 7.970 15.198 ( -4.385 -0.000 6.158) 7.560 17.452 ( -0.174 0.000 -2.932) 2.937 17.945 ( 0.531 -0.000 2.734) 2.785 18.345 ( -7.653 -0.000 2.042) 7.921 19.289 ( 9.472 0.000 -8.828) 12.948 19.359 ( 0.709 0.000 -13.266) 13.285 19.455 ( -3.748 -0.000 8.868) 9.628 19.772 ( -1.036 -0.000 8.820) 8.881 21.069 ( 9.045 0.000 7.081) 11.487 21.662 ( 1.529 -0.000 8.327) 8.466 22.781 ( -14.625 -0.000 -0.261) 14.628 23.454 ( -2.373 0.000 -8.312) 8.644 23.561 ( -3.341 -0.000 -1.729) 3.762 24.141 ( 12.836 0.000 1.463) 12.919 24.945 ( 0.579 0.000 -3.762) 3.807======================= Grid point 110 (75/96) =======================q-point: (-0.50 -0.21 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 6.623 -0.000 17.768) 18.962 2.525 ( 8.534 -0.000 14.344) 16.691 2.704 ( -3.993 -0.000 -0.294) 4.004 2.705 ( -24.725 -0.000 -4.736) 25.174 3.001 ( -10.907 -0.000 -3.048) 11.324 3.461 ( 12.739 0.000 -10.273) 16.365 3.768 ( -9.357 -0.000 13.146) 16.136 3.961 ( -6.294 0.000 -10.979) 12.655 4.223 ( 13.645 0.000 0.028) 13.645 4.319 ( -13.682 -0.000 4.018) 14.260 4.319 ( 6.084 -0.000 10.108) 11.798 4.708 ( 8.925 0.000 -4.763) 10.116 4.717 ( 4.372 0.000 -17.526) 18.063 4.933 ( 2.345 0.000 -9.558) 9.841 4.988 ( 7.232 0.000 -2.812) 7.759 5.345 ( -6.928 -0.000 -5.905) 9.103 5.552 ( 13.607 0.000 -0.358) 13.612 5.757 ( -3.531 -0.000 -1.658) 3.901 5.906 ( 7.635 0.000 -3.579) 8.433 6.008 ( 7.843 0.000 -4.776) 9.182 6.091 ( -21.121 -0.000 1.302) 21.161 6.266 ( -0.524 -0.000 17.899) 17.907 6.644 ( 1.866 0.000 0.539) 1.943 6.836 ( 4.757 0.000 0.724) 4.812 6.855 ( -12.754 -0.000 -4.367) 13.481 7.364 ( -0.918 -0.000 15.674) 15.701 7.528 ( 1.074 0.000 0.187) 1.090 7.667 ( -11.187 -0.000 3.909) 11.850 8.183 ( 5.652 0.000 -14.001) 15.099 8.398 ( 11.358 0.000 1.508) 11.458 8.780 ( -7.772 -0.000 24.915) 26.099 9.075 ( -8.715 0.000 -18.078) 20.069 9.391 ( 3.354 -0.000 5.297) 6.270 9.477 ( 7.778 0.000 4.704) 9.090 9.914 ( -1.922 -0.000 10.466) 10.641 10.293 ( 2.512 0.000 -7.784) 8.179 10.357 ( -2.396 0.000 -11.565) 11.810 10.539 ( -1.377 -0.000 7.658) 7.781 10.935 ( -4.432 0.000 -16.395) 16.984 11.255 ( 6.268 0.000 5.335) 8.231 11.580 ( -12.293 -0.000 -1.285) 12.360 11.786 ( -13.203 -0.000 -11.976) 17.825 11.964 ( 0.412 0.000 -2.170) 2.208 12.260 ( 8.950 0.000 4.580) 10.054 12.355 ( 0.618 -0.000 0.929) 1.116 12.532 ( -2.467 -0.000 5.900) 6.395 12.773 ( 12.638 0.000 -5.665) 13.849 13.226 ( -0.502 -0.000 7.398) 7.415 13.636 ( -6.822 -0.000 -1.026) 6.899 13.844 ( 14.332 0.000 2.067) 14.480 14.322 ( -1.944 -0.000 0.552) 2.021 15.112 ( 2.149 0.000 -2.678) 3.434 17.497 ( -0.957 0.000 -2.781) 2.941 17.880 ( 0.845 -0.000 5.258) 5.325 18.187 ( -7.188 -0.000 -2.417) 7.584 19.131 ( -4.335 -0.000 12.336) 13.076 19.376 ( -7.134 -0.000 3.976) 8.167 19.703 ( 10.055 0.000 -6.382) 11.910 19.832 ( 5.403 0.000 -9.281) 10.739 21.211 ( 15.460 0.000 2.184) 15.614 21.571 ( 4.605 -0.000 7.039) 8.411 22.380 ( -17.502 -0.000 6.870) 18.802 23.499 ( -6.114 -0.000 -4.828) 7.790 23.551 ( -6.708 0.000 -7.195) 9.837 24.395 ( 14.475 0.000 1.903) 14.600 25.001 ( -1.385 0.000 -2.678) 3.015======================= Grid point 111 (76/96) =======================q-point: ( 0.36 -0.21 -0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.078 ( 18.779 0.000 9.285) 20.949 2.420 ( -3.559 -0.000 -3.045) 4.684 2.544 ( 11.375 0.000 8.161) 13.999 2.545 ( -10.709 -0.000 5.096) 11.860 2.857 ( -12.325 -0.000 -6.654) 14.006 3.245 ( -13.115 -0.000 13.074) 18.518 3.783 ( 8.335 0.000 -4.167) 9.319 3.806 ( -24.277 -0.000 6.553) 25.146 4.090 ( -8.491 0.000 -15.298) 17.496 4.145 ( 1.992 -0.000 12.233) 12.394 4.531 ( 13.473 0.000 1.090) 13.517 4.889 ( -6.214 -0.000 -3.258) 7.016 4.965 ( 3.820 0.000 -4.816) 6.148 5.119 ( -17.408 -0.000 0.469) 17.414 5.157 ( -16.683 -0.000 2.992) 16.950 5.225 ( 6.638 0.000 -7.330) 9.889 5.436 ( -11.537 -0.000 4.560) 12.406 5.542 ( -4.097 0.000 -9.834) 10.653 5.839 ( 7.200 0.000 3.144) 7.857 5.945 ( -1.068 -0.000 12.898) 12.942 6.256 ( 2.445 0.000 -4.455) 5.082 6.448 ( 17.576 0.000 -6.146) 18.620 6.496 ( -26.324 -0.000 -0.754) 26.335 6.743 ( 3.359 0.000 -5.534) 6.474 6.888 ( 3.422 -0.000 19.404) 19.703 6.947 ( 4.516 0.000 1.244) 4.684 7.472 ( -5.750 -0.000 -3.521) 6.742 7.589 ( 1.141 0.000 0.766) 1.375 8.231 ( -4.121 -0.000 17.943) 18.410 8.599 ( 15.330 0.000 3.771) 15.787 8.748 ( 10.329 0.000 -19.935) 22.452 9.209 ( -10.696 0.000 -12.366) 16.351 9.385 ( 4.385 0.000 2.943) 5.281 9.567 ( 10.442 0.000 2.315) 10.696 9.822 ( 9.968 0.000 3.126) 10.447 10.223 ( -3.393 -0.000 17.827) 18.147 10.464 ( -7.190 -0.000 -3.766) 8.116 10.510 ( 5.403 0.000 -6.235) 8.251 11.098 ( -8.766 0.000 -12.496) 15.264 11.240 ( 7.238 0.000 1.408) 7.374 11.403 ( -4.086 -0.000 2.847) 4.980 11.629 ( -25.842 -0.000 -6.775) 26.716 11.967 ( -2.355 -0.000 -1.239) 2.661 12.406 ( 3.284 0.000 -1.080) 3.457 12.443 ( 3.421 0.000 3.645) 4.999 12.517 ( 12.703 0.000 -5.623) 13.891 13.134 ( 14.720 0.000 -3.721) 15.183 13.228 ( 11.541 0.000 2.880) 11.895 13.480 ( -7.620 -0.000 1.464) 7.760 14.053 ( 7.716 0.000 -0.287) 7.721 14.140 ( -9.396 -0.000 4.299) 10.333 15.355 ( 9.721 0.000 -7.488) 12.271 17.523 ( -1.586 0.000 -2.646) 3.085 17.792 ( 0.871 -0.000 5.158) 5.231 18.186 ( -4.354 0.000 -9.075) 10.066 18.775 ( -3.143 -0.000 17.229) 17.513 19.134 ( -8.720 -0.000 3.583) 9.428 19.869 ( -1.269 0.000 -1.576) 2.023 20.110 ( 4.955 0.000 -7.032) 8.603 21.525 ( 0.767 0.000 -9.288) 9.320 21.585 ( 7.616 0.000 3.687) 8.461 21.991 ( 8.326 -0.000 14.303) 16.550 23.409 ( -8.568 -0.000 -1.320) 8.669 23.566 ( -5.794 0.000 -6.642) 8.814 24.586 ( 8.341 0.000 1.695) 8.511 24.985 ( -4.715 -0.000 -1.610) 4.982======================= Grid point 112 (77/96) =======================q-point: ( 0.21 -0.21 -0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.339 ( 13.266 0.000 -0.000) 13.266 2.077 ( -27.234 -0.000 0.000) 27.234 2.617 ( -2.764 -0.000 0.000) 2.764 2.639 ( 17.890 0.000 -0.000) 17.890 2.709 ( -11.921 -0.000 0.000) 11.921 2.912 ( -6.717 -0.000 0.000) 6.717 3.282 ( -11.391 -0.000 0.000) 11.391 3.843 ( -22.463 -0.000 0.000) 22.463 4.036 ( 2.092 0.000 -0.000) 2.092 4.135 ( -7.081 -0.000 0.000) 7.081 4.351 ( -23.733 -0.000 0.000) 23.733 4.562 ( -18.444 -0.000 0.000) 18.444 4.701 ( 5.636 0.000 -0.000) 5.636 5.054 ( -3.036 -0.000 0.000) 3.036 5.083 ( -8.143 -0.000 0.000) 8.143 5.258 ( 10.641 0.000 -0.000) 10.641 5.461 ( 9.901 0.000 -0.000) 9.901 5.690 ( -19.318 -0.000 0.000) 19.318 5.738 ( -6.780 -0.000 0.000) 6.780 5.855 ( 3.272 0.000 -0.000) 3.272 5.913 ( -19.119 -0.000 0.000) 19.119 6.382 ( 9.662 0.000 -0.000) 9.662 6.590 ( -16.480 -0.000 0.000) 16.480 6.825 ( 2.246 0.000 -0.000) 2.246 6.946 ( 15.090 0.000 -0.000) 15.090 6.947 ( 4.844 0.000 -0.000) 4.844 7.571 ( 3.807 0.000 -0.000) 3.807 7.669 ( 6.913 0.000 -0.000) 6.913 8.052 ( 5.437 0.000 -0.000) 5.437 8.852 ( 14.018 0.000 -0.000) 14.018 9.038 ( -2.944 -0.000 0.000) 2.944 9.166 ( -6.339 -0.000 0.000) 6.339 9.470 ( 7.580 0.000 -0.000) 7.580 9.813 ( 12.264 0.000 -0.000) 12.264 9.947 ( 4.195 0.000 -0.000) 4.195 10.112 ( 16.277 0.000 -0.000) 16.277 10.288 ( -9.555 -0.000 0.000) 9.555 10.709 ( 7.519 0.000 -0.000) 7.519 11.008 ( -11.507 -0.000 0.000) 11.507 11.101 ( -30.635 -0.000 0.000) 30.635 11.339 ( 0.046 0.000 -0.000) 0.046 11.481 ( 13.724 0.000 -0.000) 13.724 11.910 ( -5.142 -0.000 0.000) 5.142 12.492 ( 4.224 0.000 -0.000) 4.224 12.555 ( 10.793 0.000 -0.000) 10.793 12.817 ( 11.041 0.000 -0.000) 11.041 13.240 ( -8.650 -0.000 0.000) 8.650 13.445 ( 10.483 0.000 -0.000) 10.483 13.562 ( 13.541 0.000 -0.000) 13.541 13.881 ( -7.475 -0.000 0.000) 7.475 14.129 ( -0.379 -0.000 0.000) 0.379 15.670 ( 11.780 0.000 -0.000) 11.780 17.518 ( -2.359 -0.000 0.000) 2.359 17.754 ( 1.417 0.000 -0.000) 1.417 18.295 ( -3.838 -0.000 0.000) 3.838 18.441 ( -1.121 -0.000 0.000) 1.121 18.926 ( -8.630 -0.000 0.000) 8.630 19.727 ( -14.054 -0.000 0.000) 14.054 20.261 ( 3.595 0.000 -0.000) 3.595 21.393 ( -10.717 -0.000 0.000) 10.717 21.718 ( 8.787 0.000 -0.000) 8.787 22.368 ( 31.444 0.000 -0.000) 31.444 23.247 ( -8.435 -0.000 0.000) 8.435 23.549 ( -3.747 -0.000 0.000) 3.747 24.670 ( 2.784 0.000 -0.000) 2.784 24.870 ( -8.946 -0.000 0.000) 8.946======================= Grid point 115 (78/96) =======================q-point: ( 0.37 -0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.758 ( 0.000 -29.965 3.351) 30.152 2.088 ( -0.000 8.121 18.250) 19.975 2.513 ( -0.000 32.775 4.259) 33.051 2.726 ( -0.000 4.900 1.881) 5.249 3.227 ( -0.000 11.979 -12.424) 17.258 3.360 ( -0.000 1.649 -7.889) 8.060 3.661 ( 0.000 -4.350 -12.898) 13.612 3.672 ( -0.000 9.924 6.264) 11.736 4.001 ( -0.000 34.900 13.295) 37.346 4.180 ( -0.000 2.665 11.519) 11.823 4.619 ( 0.000 -5.760 -4.668) 7.415 4.672 ( -0.000 16.435 -1.728) 16.526 4.687 ( 0.000 -9.504 -2.185) 9.752 4.820 ( -0.000 5.541 0.232) 5.546 4.988 ( -0.000 1.909 -12.275) 12.422 5.018 ( -0.000 1.854 5.181) 5.502 5.207 ( 0.000 -5.423 1.830) 5.724 5.352 ( -0.000 4.502 -0.181) 4.506 5.698 ( 0.000 -6.605 -3.717) 7.579 6.053 ( -0.000 17.760 5.609) 18.625 6.092 ( 0.000 -3.966 -6.725) 7.808 6.480 ( 0.000 -4.107 5.041) 6.502 6.620 ( -0.000 12.325 0.529) 12.336 6.893 ( 0.000 -6.378 -10.545) 12.324 7.047 ( -0.000 10.070 5.990) 11.716 7.117 ( 0.000 -15.166 6.339) 16.437 7.566 ( 0.000 -1.610 9.107) 9.248 8.065 ( 0.000 -5.283 2.022) 5.657 8.209 ( 0.000 -5.568 -4.790) 7.345 8.472 ( 0.000 -13.669 -0.894) 13.698 8.863 ( 0.000 -10.465 1.852) 10.627 9.347 ( -0.000 7.745 -8.115) 11.218 9.548 ( -0.000 10.638 -3.073) 11.073 9.692 ( 0.000 -6.763 1.087) 6.850 9.878 ( -0.000 6.128 -6.947) 9.263 9.931 ( 0.000 -12.461 9.279) 15.536 10.301 ( -0.000 7.331 7.390) 10.409 10.653 ( 0.000 -1.655 -8.992) 9.143 10.915 ( -0.000 3.740 3.201) 4.923 11.023 ( -0.000 5.461 3.512) 6.492 11.888 ( -0.000 10.028 2.137) 10.253 12.062 ( 0.000 -3.932 -0.854) 4.024 12.269 ( 0.000 -2.516 -4.597) 5.240 12.298 ( 0.000 -13.496 -4.139) 14.116 12.409 ( 0.000 -7.443 -7.471) 10.545 12.798 ( 0.000 -5.014 -10.619) 11.743 12.853 ( 0.000 -10.067 -9.581) 13.897 13.214 ( 0.000 -8.108 8.406) 11.679 13.381 ( 0.000 -7.949 11.514) 13.991 13.778 ( 0.000 -0.185 1.844) 1.853 14.209 ( -0.000 12.202 -8.067) 14.627 14.954 ( -0.000 1.307 10.870) 10.948 17.628 ( 0.000 -2.190 -2.075) 3.017 17.650 ( -0.000 3.885 2.089) 4.412 18.532 ( 0.000 -2.134 2.251) 3.102 18.728 ( -0.000 7.993 7.864) 11.213 19.097 ( -0.000 14.797 -10.523) 18.157 19.549 ( -0.000 16.970 11.778) 20.657 20.145 ( 0.000 -25.370 7.006) 26.319 21.024 ( 0.000 -13.314 -11.368) 17.507 21.431 ( 0.000 -7.890 8.727) 11.765 23.039 ( -0.000 12.907 -21.842) 25.371 23.606 ( 0.000 -5.675 0.644) 5.711 23.751 ( -0.000 4.881 6.493) 8.123 23.891 ( 0.000 -2.544 2.173) 3.346 24.941 ( -0.000 5.148 -0.639) 5.188======================= Grid point 116 (79/96) =======================q-point: ( 0.23 -0.23 0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.619 ( -9.036 -31.269 0.000) 32.548 1.985 ( 10.156 5.736 -0.000) 11.664 2.367 ( -7.027 32.303 -0.000) 33.059 2.701 ( 0.394 1.913 -0.000) 1.953 3.418 ( -7.297 14.894 -0.000) 16.586 3.470 ( -1.924 -10.872 0.000) 11.041 3.503 ( -1.880 1.875 -0.000) 2.655 3.927 ( 7.961 2.657 -0.000) 8.392 4.081 ( 24.627 37.718 -0.000) 45.046 4.204 ( 17.584 8.814 -0.000) 19.669 4.504 ( -12.111 2.095 -0.000) 12.291 4.622 ( -1.418 13.279 -0.000) 13.354 4.622 ( -11.067 8.414 -0.000) 13.903 4.790 ( -1.429 -15.039 0.000) 15.107 4.940 ( -4.281 4.607 -0.000) 6.290 5.129 ( -1.357 -5.712 0.000) 5.871 5.278 ( 9.235 11.113 -0.000) 14.450 5.463 ( 9.497 6.094 -0.000) 11.284 5.789 ( 1.684 -2.529 0.000) 3.039 5.951 ( -4.260 2.994 -0.000) 5.207 6.138 ( -1.477 6.992 -0.000) 7.146 6.421 ( 2.175 -6.944 0.000) 7.276 6.583 ( -3.814 3.635 -0.000) 5.269 6.866 ( -5.367 3.782 -0.000) 6.566 7.086 ( -0.041 -13.633 0.000) 13.633 7.170 ( 3.923 -4.269 0.000) 5.798 7.324 ( -3.782 4.849 -0.000) 6.150 7.829 ( -14.667 -1.349 0.000) 14.729 8.309 ( 4.128 -13.056 0.000) 13.694 8.565 ( 6.046 -11.623 0.000) 13.102 9.007 ( 8.216 -13.756 0.000) 16.023 9.387 ( -2.545 -1.073 0.000) 2.762 9.553 ( -4.595 23.302 -0.000) 23.751 9.707 ( 2.976 -7.981 0.000) 8.518 9.753 ( -5.105 -10.185 0.000) 11.392 9.949 ( -3.449 -0.832 0.000) 3.548 10.158 ( -3.040 7.369 -0.000) 7.971 10.833 ( -5.227 3.812 -0.000) 6.470 10.849 ( 4.870 -1.898 0.000) 5.226 10.983 ( 4.885 11.572 -0.000) 12.561 11.867 ( -5.029 7.643 -0.000) 9.150 11.937 ( -10.038 -4.171 0.000) 10.870 12.262 ( -3.432 0.970 -0.000) 3.566 12.446 ( -14.596 0.580 0.000) 14.607 12.464 ( 6.977 -10.540 0.000) 12.640 12.562 ( 7.268 -15.033 0.000) 16.698 13.011 ( -1.118 -12.100 0.000) 12.152 13.144 ( -6.460 -10.101 0.000) 11.990 13.625 ( 21.528 -7.366 0.000) 22.753 13.725 ( -1.625 -0.516 0.000) 1.705 14.331 ( 3.508 2.986 -0.000) 4.606 14.861 ( 4.284 8.648 -0.000) 9.651 17.631 ( 0.456 4.175 -0.000) 4.200 17.646 ( -0.317 -2.999 0.000) 3.016 18.469 ( -4.930 5.504 -0.000) 7.389 18.583 ( -3.981 3.047 -0.000) 5.013 19.372 ( 6.175 17.103 -0.000) 18.183 19.462 ( 12.432 15.230 -0.000) 19.660 20.016 ( -5.795 -25.116 0.000) 25.776 21.172 ( -8.502 4.718 -0.000) 9.723 21.334 ( 10.846 -21.238 0.000) 23.847 23.061 ( -17.098 -7.433 0.000) 18.644 23.584 ( -2.790 10.538 -0.000) 10.901 23.599 ( -5.793 3.964 -0.000) 7.020 24.096 ( 18.333 -4.105 0.000) 18.787 24.950 ( 0.138 5.565 -0.000) 5.567======================= Grid point 129 (80/96) =======================q-point: ( 0.54 -0.26 0.26)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.344 ( 0.000 -24.948 14.823) 29.019 2.430 ( 0.000 -9.923 19.376) 21.769 2.763 ( -0.000 0.083 1.472) 1.474 3.007 ( -0.000 10.135 -15.624) 18.623 3.228 ( -0.000 6.264 -8.867) 10.856 3.426 ( -0.000 24.162 -8.501) 25.614 3.522 ( -0.000 15.274 0.661) 15.288 3.985 ( -0.000 13.287 -0.303) 13.290 4.205 ( 0.000 -15.578 -4.637) 16.253 4.389 ( 0.000 -11.257 4.369) 12.075 4.428 ( 0.000 -13.997 -6.179) 15.300 4.468 ( 0.000 -4.307 5.179) 6.735 4.623 ( -0.000 0.744 -23.503) 23.515 4.746 ( -0.000 7.632 0.166) 7.634 4.936 ( -0.000 5.314 -2.269) 5.778 5.107 ( -0.000 0.047 0.791) 0.792 5.262 ( 0.000 -2.052 7.369) 7.650 5.420 ( -0.000 3.321 -4.904) 5.923 5.711 ( -0.000 8.325 3.518) 9.038 6.098 ( -0.000 8.644 3.533) 9.339 6.432 ( -0.000 12.190 1.095) 12.239 6.555 ( -0.000 0.988 3.848) 3.973 6.678 ( 0.000 -0.978 -6.972) 7.040 6.798 ( -0.000 8.333 -7.412) 11.153 7.048 ( 0.000 -10.502 14.207) 17.667 7.119 ( 0.000 -4.309 -3.482) 5.540 7.478 ( 0.000 -5.676 -4.225) 7.075 7.998 ( 0.000 -5.863 2.579) 6.406 8.166 ( -0.000 0.524 5.243) 5.269 8.314 ( 0.000 -5.768 1.613) 5.990 8.941 ( 0.000 -2.732 21.749) 21.920 9.278 ( -0.000 4.935 -13.404) 14.284 9.414 ( 0.000 -4.228 -7.449) 8.565 9.518 ( 0.000 -16.070 6.113) 17.193 9.990 ( 0.000 -0.797 9.735) 9.768 10.056 ( -0.000 15.794 -5.015) 16.571 10.493 ( 0.000 -0.402 -4.427) 4.445 10.517 ( -0.000 4.139 1.333) 4.348 10.997 ( 0.000 0.033 -12.140) 12.140 11.011 ( 0.000 -1.768 2.478) 3.044 11.976 ( 0.000 -7.980 -4.351) 9.089 12.004 ( -0.000 0.761 -2.633) 2.741 12.017 ( -0.000 1.711 -7.212) 7.412 12.128 ( 0.000 -3.776 4.610) 5.959 12.297 ( -0.000 2.947 -1.842) 3.475 12.535 ( 0.000 -5.281 -6.138) 8.097 12.717 ( -0.000 3.099 4.721) 5.647 13.277 ( 0.000 -2.454 8.657) 8.998 13.433 ( 0.000 -7.609 10.362) 12.856 13.786 ( 0.000 -0.532 -1.063) 1.188 14.238 ( -0.000 6.117 -8.074) 10.129 15.116 ( 0.000 -0.507 6.921) 6.940 17.534 ( 0.000 -1.934 -2.864) 3.456 17.801 ( -0.000 5.397 3.594) 6.484 18.474 ( 0.000 -5.386 0.911) 5.462 19.099 ( -0.000 11.711 9.835) 15.293 19.171 ( -0.000 14.259 -11.522) 18.332 19.787 ( 0.000 -6.687 -6.605) 9.400 19.873 ( 0.000 -20.828 11.330) 23.711 20.750 ( -0.000 1.197 4.528) 4.684 21.500 ( 0.000 -2.714 8.349) 8.779 22.965 ( -0.000 15.924 -15.624) 22.309 23.535 ( 0.000 -3.891 2.212) 4.476 23.724 ( 0.000 -5.957 -3.983) 7.166 23.966 ( -0.000 0.564 3.715) 3.757 24.983 ( -0.000 2.255 -2.596) 3.439======================= Grid point 130 (81/96) =======================q-point: ( 0.40 -0.26 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 246Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.034 ( -4.296 -31.462 10.265) 33.372 2.094 ( 8.648 -9.875 18.940) 23.044 2.711 ( -0.200 1.132 2.498) 2.750 3.000 ( -17.787 26.602 -2.517) 32.100 3.284 ( -6.695 -1.428 -4.849) 8.389 3.566 ( -2.780 -0.472 -7.813) 8.306 3.691 ( 0.305 15.467 1.119) 15.510 3.952 ( 6.470 6.989 2.145) 9.763 4.208 ( -4.658 -11.204 -1.130) 12.186 4.307 ( 1.348 -16.566 -4.128) 17.126 4.404 ( 7.509 3.460 1.672) 8.435 4.712 ( -1.645 8.206 -0.616) 8.392 4.761 ( 1.070 -1.616 -2.293) 3.002 4.930 ( 8.089 8.181 -1.910) 11.662 4.993 ( -2.974 6.270 -13.132) 14.853 5.149 ( 8.183 9.627 2.563) 12.892 5.402 ( 13.281 2.530 -1.644) 13.619 5.539 ( 1.905 9.084 -6.055) 11.082 5.752 ( 6.829 5.656 -1.774) 9.043 6.020 ( -6.932 2.987 1.557) 7.707 6.286 ( -9.646 -5.904 4.392) 12.133 6.446 ( 4.771 10.756 4.658) 12.655 6.536 ( -15.251 -6.797 2.807) 16.931 6.782 ( 1.487 -3.875 -4.270) 5.955 7.043 ( -3.542 0.059 8.874) 9.555 7.124 ( 7.169 1.304 2.442) 7.685 7.480 ( -1.820 -6.279 2.959) 7.176 7.811 ( -11.140 -0.997 1.580) 11.296 8.219 ( 3.102 2.287 4.279) 5.759 8.389 ( 7.677 -8.468 -2.240) 11.647 8.636 ( 0.995 -13.104 0.201) 13.143 9.333 ( -1.453 -1.471 -0.692) 2.180 9.468 ( -0.071 -11.697 0.054) 11.697 9.637 ( -7.862 1.047 -11.753) 14.179 9.733 ( -1.726 -3.748 7.650) 8.692 10.134 ( 0.461 16.704 -0.391) 16.715 10.390 ( -3.098 4.433 7.953) 9.618 10.658 ( -0.371 0.660 -12.084) 12.108 10.990 ( 3.206 2.280 5.021) 6.379 11.179 ( 1.776 5.369 -4.508) 7.232 11.856 ( -8.637 0.562 -0.560) 8.673 11.997 ( -12.826 1.978 0.376) 12.983 12.167 ( 6.433 -9.488 -3.593) 12.013 12.179 ( 4.411 -2.621 -8.955) 10.320 12.351 ( 2.748 -1.036 0.280) 2.950 12.539 ( -3.874 -5.184 5.063) 8.217 12.703 ( 2.011 -7.608 -5.013) 9.330 13.081 ( -4.284 -1.176 7.230) 8.486 13.510 ( 21.600 -7.816 4.523) 23.412 13.737 ( -3.355 -0.544 1.762) 3.828 14.374 ( -2.007 4.827 -4.528) 6.916 15.022 ( 3.203 2.801 2.979) 5.195 17.577 ( -0.436 -1.618 -2.095) 2.682 17.732 ( 0.157 3.317 3.235) 4.636 18.444 ( -5.572 -1.022 -5.275) 7.741 18.844 ( -3.777 7.621 12.432) 15.063 19.492 ( 7.917 13.702 -11.185) 19.378 19.647 ( -5.920 -17.150 5.049) 18.833 19.867 ( 5.281 6.799 3.192) 9.182 20.881 ( 14.478 -11.494 -1.909) 18.584 21.333 ( -1.010 1.083 6.692) 6.853 22.897 ( -23.856 -4.598 -2.730) 24.448 23.546 ( -2.236 8.847 -8.795) 12.674 23.809 ( -4.268 -1.961 1.748) 5.011 24.040 ( 18.501 -1.664 2.507) 18.744 25.024 ( 0.047 2.968 -1.366) 3.267======================= Grid point 131 (82/96) =======================q-point: ( 0.26 -0.26 0.54)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 144Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.942 ( 7.931 -28.361 0.000) 29.449 2.168 ( 17.207 -10.445 0.000) 20.129 2.620 ( -13.830 14.492 -0.000) 20.032 2.682 ( -7.574 1.337 -0.000) 7.691 3.216 ( -6.938 -5.180 0.000) 8.658 3.368 ( -15.189 3.897 -0.000) 15.681 3.596 ( -4.882 13.632 -0.000) 14.479 4.017 ( -6.550 -2.932 0.000) 7.177 4.235 ( 14.631 -4.148 0.000) 15.208 4.330 ( -6.452 -14.817 0.000) 16.160 4.475 ( -7.509 -4.887 0.000) 8.959 4.760 ( 2.626 9.342 -0.000) 9.704 4.861 ( 11.035 15.920 -0.000) 19.371 5.002 ( -4.391 9.501 -0.000) 10.466 5.166 ( 8.924 2.851 -0.000) 9.369 5.440 ( 21.474 17.671 -0.000) 27.810 5.526 ( -10.251 3.541 -0.000) 10.845 5.641 ( -15.210 -4.831 0.000) 15.959 5.736 ( 8.366 8.922 -0.000) 12.230 5.896 ( 12.861 6.530 -0.000) 14.424 6.127 ( -23.398 -11.836 0.000) 26.221 6.410 ( -1.928 10.930 -0.000) 11.099 6.428 ( 13.362 -7.454 0.000) 15.301 6.805 ( -5.544 -4.117 0.000) 6.905 6.940 ( 3.238 -4.020 0.000) 5.162 7.033 ( -12.750 -2.655 0.000) 13.024 7.416 ( 3.541 3.172 -0.000) 4.754 7.596 ( -8.466 1.475 -0.000) 8.593 8.321 ( 12.063 -3.041 0.000) 12.440 8.339 ( -2.963 -14.676 0.000) 14.972 8.916 ( 7.726 -8.640 0.000) 11.590 9.337 ( 0.968 -2.045 0.000) 2.262 9.370 ( -6.004 -6.496 0.000) 8.846 9.598 ( 7.293 -10.255 0.000) 12.584 9.822 ( -6.643 1.128 -0.000) 6.738 9.909 ( -6.310 13.288 -0.000) 14.710 10.306 ( 0.634 11.856 -0.000) 11.873 10.738 ( -8.016 -0.237 0.000) 8.020 11.026 ( 9.761 1.870 -0.000) 9.939 11.275 ( 2.706 7.107 -0.000) 7.605 11.584 ( -19.913 0.484 0.000) 19.918 11.778 ( -5.376 6.099 -0.000) 8.130 12.322 ( -0.197 -16.282 0.000) 16.283 12.354 ( 0.494 -0.593 0.000) 0.772 12.416 ( 0.908 -6.003 0.000) 6.071 12.615 ( 18.021 10.547 -0.000) 20.881 12.680 ( -2.975 -14.083 0.000) 14.393 13.019 ( 7.538 -1.589 0.000) 7.704 13.605 ( -6.834 0.010 0.000) 6.834 13.867 ( 12.599 -3.461 0.000) 13.066 14.324 ( -3.821 -2.711 0.000) 4.685 15.143 ( 9.321 6.201 -0.000) 11.195 17.593 ( -0.661 -1.548 0.000) 1.683 17.701 ( 0.485 2.014 -0.000) 2.071 18.489 ( -4.521 5.556 -0.000) 7.163 18.519 ( -6.460 1.150 -0.000) 6.561 19.447 ( -8.841 -16.266 0.000) 18.513 19.773 ( 6.100 8.594 -0.000) 10.539 19.967 ( 9.800 9.911 -0.000) 13.938 21.219 ( -3.724 14.189 -0.000) 14.669 21.307 ( 24.674 -14.598 0.000) 28.669 22.438 ( -21.311 -15.477 0.000) 26.338 23.552 ( -8.585 4.495 -0.000) 9.691 23.669 ( -4.658 5.708 -0.000) 7.367 24.369 ( 15.195 -2.706 0.000) 15.434 25.027 ( -1.439 3.140 -0.000) 3.454======================= Grid point 143 (83/96) =======================q-point: (-0.29 -0.29 0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.434 ( 0.000 -0.000 18.112) 18.112 2.489 ( -0.000 0.000 -3.687) 3.687 2.523 ( -0.000 0.000 -25.194) 25.194 2.882 ( -0.000 0.000 -0.515) 0.515 3.146 ( -0.000 0.000 -7.056) 7.056 3.649 ( -0.000 0.000 -17.062) 17.062 3.777 ( -0.000 0.000 -12.006) 12.006 3.836 ( -0.000 0.000 -1.323) 1.323 3.990 ( -0.000 0.000 -1.515) 1.515 4.176 ( 0.000 -0.000 4.123) 4.123 4.237 ( -0.000 0.000 -13.815) 13.815 4.249 ( 0.000 -0.000 3.303) 3.303 4.583 ( 0.000 -0.000 3.315) 3.315 4.868 ( -0.000 0.000 -7.558) 7.558 4.870 ( 0.000 -0.000 4.999) 4.999 5.162 ( 0.000 -0.000 4.621) 4.621 5.305 ( 0.000 -0.000 4.143) 4.143 5.350 ( -0.000 0.000 -3.664) 3.664 5.847 ( -0.000 0.000 -3.847) 3.847 6.362 ( 0.000 -0.000 9.292) 9.292 6.384 ( -0.000 0.000 -12.578) 12.578 6.597 ( -0.000 0.000 -14.358) 14.358 6.599 ( -0.000 0.000 -1.700) 1.700 6.601 ( 0.000 -0.000 0.498) 0.498 7.124 ( 0.000 -0.000 6.606) 6.606 7.280 ( 0.000 -0.000 18.997) 18.997 7.373 ( -0.000 0.000 -3.192) 3.192 7.969 ( 0.000 -0.000 1.999) 1.999 8.108 ( -0.000 0.000 -12.915) 12.915 8.462 ( 0.000 -0.000 19.248) 19.248 8.952 ( -0.000 0.000 -20.483) 20.483 9.307 ( -0.000 0.000 -0.420) 0.420 9.343 ( 0.000 -0.000 0.851) 0.851 9.557 ( 0.000 -0.000 32.941) 32.941 10.056 ( -0.000 0.000 -6.147) 6.147 10.125 ( -0.000 0.000 -6.635) 6.635 10.495 ( -0.000 0.000 -5.540) 5.540 10.574 ( 0.000 -0.000 13.241) 13.241 10.729 ( -0.000 0.000 -11.705) 11.705 10.938 ( -0.000 0.000 -4.857) 4.857 11.810 ( -0.000 0.000 -4.629) 4.629 11.865 ( -0.000 0.000 -8.975) 8.975 12.059 ( 0.000 -0.000 8.276) 8.276 12.113 ( -0.000 0.000 -7.795) 7.795 12.409 ( 0.000 -0.000 2.946) 2.946 12.436 ( 0.000 -0.000 8.449) 8.449 12.937 ( 0.000 -0.000 9.006) 9.006 13.423 ( 0.000 -0.000 7.965) 7.965 13.515 ( 0.000 -0.000 6.885) 6.885 13.698 ( -0.000 0.000 -7.144) 7.144 14.145 ( -0.000 0.000 -7.068) 7.068 15.245 ( 0.000 -0.000 7.468) 7.468 17.453 ( -0.000 0.000 -3.139) 3.139 17.940 ( 0.000 -0.000 2.774) 2.774 18.432 ( 0.000 -0.000 2.216) 2.216 19.170 ( -0.000 0.000 -10.439) 10.439 19.350 ( -0.000 0.000 -14.978) 14.978 19.514 ( 0.000 -0.000 11.735) 11.735 19.784 ( 0.000 -0.000 10.176) 10.176 20.967 ( 0.000 -0.000 8.519) 8.519 21.646 ( 0.000 -0.000 9.024) 9.024 22.974 ( -0.000 0.000 -7.325) 7.325 23.479 ( -0.000 0.000 -9.148) 9.148 23.552 ( 0.000 -0.000 3.637) 3.637 24.014 ( 0.000 -0.000 1.039) 1.039 24.937 ( -0.000 0.000 -4.093) 4.093======================= Grid point 144 (84/96) =======================q-point: (-0.43 -0.29 0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.036 ( -0.798 -0.000 20.942) 20.957 2.370 ( 5.817 -0.000 18.358) 19.257 2.757 ( -1.302 -0.000 0.795) 1.525 3.186 ( -7.304 -0.000 -4.507) 8.583 3.207 ( 12.063 0.000 -17.950) 21.627 3.290 ( -32.809 -0.000 -7.042) 33.556 3.861 ( -2.456 -0.000 2.455) 3.473 4.030 ( -1.224 0.000 -5.753) 5.882 4.107 ( -0.474 -0.000 3.807) 3.836 4.201 ( 6.584 -0.000 7.634) 10.081 4.410 ( 9.481 0.000 -9.210) 13.218 4.554 ( 5.938 0.000 0.015) 5.938 4.650 ( 2.155 0.000 -23.218) 23.318 4.848 ( 5.468 0.000 2.322) 5.940 4.901 ( -2.069 0.000 -4.688) 5.124 5.273 ( 13.053 0.000 -0.311) 13.057 5.377 ( 9.256 0.000 0.783) 9.289 5.481 ( 5.192 0.000 -9.370) 10.713 5.883 ( 4.307 0.000 0.140) 4.309 6.110 ( -8.342 -0.000 5.305) 9.886 6.433 ( -16.310 -0.000 6.909) 17.713 6.439 ( -13.307 -0.000 -1.142) 13.356 6.588 ( 3.334 0.000 0.814) 3.432 6.802 ( -1.146 -0.000 4.700) 4.838 6.962 ( 0.410 0.000 -8.646) 8.656 7.346 ( 16.060 0.000 4.667) 16.725 7.396 ( -2.636 -0.000 1.601) 3.085 7.878 ( -7.204 -0.000 7.358) 10.297 8.137 ( -1.005 0.000 -3.021) 3.184 8.266 ( 2.866 0.000 -1.189) 3.102 8.895 ( -3.922 -0.000 28.983) 29.247 9.236 ( -7.042 0.000 -15.969) 17.452 9.343 ( 1.563 -0.000 2.283) 2.767 9.389 ( 2.002 0.000 -3.879) 4.365 9.962 ( -2.530 -0.000 12.900) 13.146 10.258 ( 1.143 0.000 -6.443) 6.543 10.426 ( -4.736 0.000 -9.401) 10.526 10.554 ( -0.148 -0.000 3.585) 3.588 10.985 ( -1.190 0.000 -15.212) 15.259 11.096 ( 9.177 0.000 1.939) 9.379 11.837 ( -9.527 -0.000 -4.516) 10.544 11.959 ( -5.273 0.000 -7.107) 8.849 11.966 ( -2.794 0.000 -5.179) 5.884 12.120 ( 5.095 -0.000 8.785) 10.155 12.355 ( -0.328 -0.000 2.005) 2.032 12.548 ( 9.252 0.000 -5.879) 10.962 12.627 ( -7.834 -0.000 8.391) 11.480 13.290 ( -4.448 -0.000 9.961) 10.909 13.511 ( 18.664 0.000 5.605) 19.487 13.742 ( -3.837 -0.000 -1.251) 4.036 14.321 ( 1.477 0.000 -5.942) 6.123 15.102 ( -0.641 -0.000 3.815) 3.868 17.510 ( -0.459 0.000 -3.007) 3.041 17.866 ( 0.526 -0.000 5.182) 5.208 18.336 ( -7.129 -0.000 -1.873) 7.371 19.219 ( -4.113 -0.000 13.293) 13.914 19.495 ( 9.668 0.000 -10.163) 14.027 19.507 ( -6.280 -0.000 1.099) 6.376 19.727 ( 5.332 0.000 -7.277) 9.021 20.915 ( 12.523 0.000 8.765) 15.285 21.498 ( 2.683 -0.000 8.496) 8.909 22.808 ( -23.790 -0.000 -2.052) 23.879 23.599 ( -3.803 0.000 -6.595) 7.613 23.619 ( 1.814 0.000 -4.365) 4.728 24.100 ( 13.379 0.000 2.966) 13.703 25.010 ( 0.179 0.000 -2.937) 2.943======================= Grid point 145 (85/96) =======================q-point: ( 0.43 -0.29 -0.43)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 150Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.750 ( 12.582 -0.000 15.480) 19.948 2.206 ( 14.527 0.000 15.493) 21.238 2.680 ( -3.960 -0.000 2.005) 4.439 2.802 ( -26.058 -0.000 -4.202) 26.395 3.085 ( -10.788 -0.000 -5.661) 12.183 3.507 ( -11.074 -0.000 10.611) 15.337 3.666 ( 2.022 0.000 -8.529) 8.765 4.101 ( -4.769 -0.000 -2.214) 5.257 4.106 ( 2.136 -0.000 10.780) 10.990 4.225 ( 15.371 0.000 0.385) 15.376 4.339 ( -16.810 -0.000 -6.425) 17.996 4.809 ( 8.232 0.000 -4.932) 9.597 4.988 ( -4.429 0.000 -10.455) 11.355 5.044 ( 17.445 0.000 -1.848) 17.542 5.115 ( 4.644 0.000 -7.657) 8.955 5.421 ( -10.367 -0.000 -2.430) 10.648 5.574 ( 12.773 0.000 -2.129) 12.949 5.761 ( -17.995 -0.000 3.980) 18.430 5.931 ( 1.258 -0.000 11.089) 11.160 6.019 ( -25.116 -0.000 4.255) 25.474 6.037 ( 19.315 0.000 -7.160) 20.599 6.118 ( 11.953 0.000 -6.977) 13.840 6.646 ( 4.954 0.000 -0.746) 5.010 6.833 ( -8.377 -0.000 12.661) 15.181 6.849 ( 5.000 0.000 -2.292) 5.501 7.051 ( -17.572 -0.000 6.069) 18.590 7.502 ( 5.422 0.000 3.737) 6.585 7.647 ( -6.665 -0.000 0.845) 6.718 8.302 ( 1.606 -0.000 11.166) 11.281 8.377 ( 2.261 -0.000 10.357) 10.601 8.553 ( 9.189 0.000 -21.322) 23.218 9.331 ( 1.358 -0.000 1.752) 2.217 9.390 ( 4.488 0.000 4.445) 6.317 9.437 ( -9.831 0.000 -15.552) 18.398 9.699 ( 2.492 -0.000 7.167) 7.588 10.314 ( -5.336 -0.000 15.554) 16.444 10.418 ( 3.929 0.000 -4.868) 6.256 10.588 ( -5.034 0.000 -10.645) 11.776 11.115 ( 5.718 -0.000 6.480) 8.642 11.217 ( -2.795 0.000 -11.886) 12.210 11.597 ( -16.366 -0.000 -0.094) 16.366 11.990 ( -0.220 0.000 -0.862) 0.890 11.992 ( -7.743 -0.000 -3.268) 8.405 12.290 ( 8.611 0.000 -11.479) 14.350 12.351 ( 1.785 0.000 -0.167) 1.793 12.424 ( -0.728 -0.000 4.784) 4.839 12.839 ( 13.673 0.000 0.966) 13.707 13.062 ( 4.152 -0.000 7.773) 8.812 13.628 ( -6.768 -0.000 1.584) 6.951 13.816 ( 16.623 0.000 0.922) 16.649 14.312 ( -7.685 -0.000 0.081) 7.686 15.174 ( 8.255 0.000 -2.957) 8.768 17.548 ( -0.965 0.000 -2.465) 2.647 17.776 ( 0.662 -0.000 4.941) 4.985 18.300 ( -6.939 0.000 -9.552) 11.806 18.852 ( -4.568 -0.000 16.115) 16.750 19.301 ( -8.247 -0.000 2.994) 8.773 19.811 ( 6.053 0.000 -4.442) 7.508 20.007 ( 5.472 0.000 -7.535) 9.312 21.166 ( 24.523 0.000 2.128) 24.616 21.449 ( 6.144 0.000 5.128) 8.003 22.283 ( -26.484 -0.000 3.337) 26.693 23.573 ( -7.816 -0.000 -2.695) 8.268 23.673 ( -4.904 -0.000 -5.092) 7.069 24.359 ( 14.947 0.000 1.671) 15.040 25.043 ( -1.482 -0.000 -1.572) 2.160======================= Grid point 146 (86/96) =======================q-point: ( 0.29 -0.29 -0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.981 ( 21.555 0.000 -0.000) 21.555 2.393 ( 17.875 0.000 -0.000) 17.875 2.487 ( -14.216 -0.000 0.000) 14.216 2.516 ( -6.128 -0.000 0.000) 6.128 3.002 ( -18.064 -0.000 0.000) 18.064 3.039 ( -6.423 -0.000 0.000) 6.423 3.742 ( -26.185 -0.000 0.000) 26.185 3.859 ( 5.006 0.000 -0.000) 5.006 3.987 ( 2.439 0.000 -0.000) 2.439 4.270 ( -6.546 -0.000 0.000) 6.546 4.519 ( 12.992 0.000 -0.000) 12.992 4.899 ( -14.011 -0.000 0.000) 14.011 5.039 ( 10.943 0.000 -0.000) 10.943 5.088 ( -31.959 -0.000 0.000) 31.959 5.198 ( -12.821 -0.000 0.000) 12.821 5.231 ( -3.452 -0.000 0.000) 3.452 5.344 ( -2.588 -0.000 0.000) 2.588 5.690 ( 8.235 0.000 -0.000) 8.235 5.783 ( 5.538 0.000 -0.000) 5.538 5.841 ( -3.588 -0.000 0.000) 3.588 6.319 ( -15.296 -0.000 0.000) 15.296 6.505 ( 16.494 0.000 -0.000) 16.494 6.549 ( -26.012 -0.000 0.000) 26.012 6.618 ( 18.610 0.000 -0.000) 18.610 6.813 ( 8.253 0.000 -0.000) 8.253 6.942 ( -4.070 -0.000 0.000) 4.070 7.519 ( 2.415 0.000 -0.000) 2.415 7.580 ( 1.223 0.000 -0.000) 1.223 8.024 ( -3.932 -0.000 0.000) 3.932 8.561 ( 15.056 0.000 -0.000) 15.056 9.002 ( 6.895 0.000 -0.000) 6.895 9.252 ( -2.566 -0.000 0.000) 2.566 9.357 ( 3.908 0.000 -0.000) 3.908 9.650 ( 5.729 0.000 -0.000) 5.729 9.830 ( 9.416 0.000 -0.000) 9.416 9.925 ( -2.812 -0.000 0.000) 2.812 10.495 ( -11.090 -0.000 0.000) 11.090 10.573 ( 6.306 0.000 -0.000) 6.306 11.243 ( 10.909 0.000 -0.000) 10.909 11.253 ( -14.248 -0.000 0.000) 14.248 11.341 ( -0.145 -0.000 0.000) 0.145 11.686 ( -26.918 -0.000 0.000) 26.918 11.983 ( -2.310 -0.000 0.000) 2.310 12.402 ( 5.039 0.000 -0.000) 5.039 12.419 ( 3.034 0.000 -0.000) 3.034 12.595 ( 10.585 0.000 -0.000) 10.585 13.142 ( 20.783 0.000 -0.000) 20.783 13.219 ( 12.169 0.000 -0.000) 12.169 13.455 ( -7.798 -0.000 0.000) 7.798 14.056 ( 8.095 0.000 -0.000) 8.095 14.100 ( -11.944 -0.000 0.000) 11.944 15.431 ( 12.313 0.000 -0.000) 12.313 17.556 ( -1.544 -0.000 0.000) 1.544 17.732 ( 0.850 0.000 -0.000) 0.850 18.398 ( -6.387 -0.000 0.000) 6.387 18.479 ( -2.926 -0.000 0.000) 2.926 19.099 ( -9.041 -0.000 0.000) 9.041 19.885 ( -2.367 -0.000 0.000) 2.367 20.181 ( 4.597 0.000 -0.000) 4.597 21.547 ( 8.489 0.000 -0.000) 8.489 21.724 ( -22.958 -0.000 0.000) 22.958 21.743 ( 32.096 0.000 -0.000) 32.096 23.422 ( -9.324 -0.000 0.000) 9.324 23.633 ( -4.720 -0.000 0.000) 4.720 24.568 ( 8.140 0.000 -0.000) 8.140 25.001 ( -4.655 -0.000 0.000) 4.655======================= Grid point 150 (87/96) =======================q-point: ( 0.30 -0.30 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.714 ( 0.000 -30.020 0.000) 30.020 1.896 ( -0.000 2.311 -0.000) 2.311 2.469 ( -0.000 33.658 -0.000) 33.658 2.706 ( -0.000 6.865 -0.000) 6.865 3.421 ( -0.000 21.262 -0.000) 21.262 3.481 ( 0.000 -5.892 0.000) 5.892 3.544 ( -0.000 4.764 -0.000) 4.764 3.823 ( -0.000 44.659 -0.000) 44.659 3.859 ( 0.000 -6.187 0.000) 6.187 3.997 ( -0.000 4.822 -0.000) 4.822 4.666 ( 0.000 -5.122 0.000) 5.122 4.668 ( -0.000 15.289 -0.000) 15.289 4.719 ( 0.000 -8.231 0.000) 8.231 4.824 ( 0.000 -0.747 0.000) 0.747 4.948 ( -0.000 8.239 -0.000) 8.239 5.145 ( 0.000 -8.001 0.000) 8.001 5.195 ( -0.000 12.455 -0.000) 12.455 5.354 ( -0.000 3.797 -0.000) 3.797 5.753 ( 0.000 -5.018 0.000) 5.018 5.966 ( -0.000 16.842 -0.000) 16.842 6.182 ( 0.000 -3.296 0.000) 3.296 6.410 ( 0.000 -6.806 0.000) 6.806 6.609 ( -0.000 14.478 -0.000) 14.478 6.983 ( -0.000 8.528 -0.000) 8.528 7.054 ( 0.000 -15.863 0.000) 15.863 7.080 ( 0.000 -16.022 0.000) 16.022 7.370 ( -0.000 6.067 -0.000) 6.067 8.046 ( 0.000 -4.882 0.000) 4.882 8.276 ( 0.000 -13.602 0.000) 13.602 8.439 ( 0.000 -9.309 0.000) 9.309 8.921 ( 0.000 -10.833 0.000) 10.833 9.415 ( 0.000 -2.702 0.000) 2.702 9.592 ( -0.000 26.437 -0.000) 26.437 9.685 ( 0.000 -6.773 0.000) 6.773 9.816 ( 0.000 -14.130 0.000) 14.130 9.983 ( -0.000 2.658 -0.000) 2.658 10.188 ( -0.000 7.032 -0.000) 7.032 10.800 ( 0.000 -4.567 0.000) 4.567 10.885 ( -0.000 3.784 -0.000) 3.784 10.928 ( -0.000 11.969 -0.000) 11.969 11.866 ( -0.000 11.659 -0.000) 11.659 12.077 ( 0.000 -5.529 0.000) 5.529 12.295 ( 0.000 -3.701 0.000) 3.701 12.335 ( 0.000 -14.444 0.000) 14.444 12.499 ( 0.000 -10.782 0.000) 10.782 13.007 ( 0.000 -0.775 0.000) 0.775 13.012 ( 0.000 -12.570 0.000) 12.570 13.032 ( 0.000 -15.856 0.000) 15.856 13.207 ( 0.000 -7.520 0.000) 7.520 13.755 ( 0.000 -0.144 0.000) 0.144 14.314 ( -0.000 10.205 -0.000) 10.205 14.818 ( -0.000 7.703 -0.000) 7.703 17.626 ( -0.000 4.365 -0.000) 4.365 17.649 ( 0.000 -3.089 0.000) 3.089 18.530 ( -0.000 5.262 -0.000) 5.262 18.625 ( -0.000 3.324 -0.000) 3.324 19.308 ( -0.000 17.468 -0.000) 17.468 19.324 ( -0.000 17.075 -0.000) 17.075 20.078 ( 0.000 -24.856 0.000) 24.856 21.225 ( 0.000 -22.840 0.000) 22.840 21.258 ( 0.000 -0.157 0.000) 0.157 23.326 ( -0.000 4.729 -0.000) 4.729 23.599 ( 0.000 -6.070 0.000) 6.070 23.613 ( -0.000 10.739 -0.000) 10.739 23.877 ( 0.000 -2.682 0.000) 2.682 24.947 ( -0.000 5.657 -0.000) 5.657======================= Grid point 164 (88/96) =======================q-point: ( 0.47 -0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.092 ( 0.000 -34.874 10.566) 36.439 2.008 ( 0.000 -10.149 20.763) 23.110 2.709 ( -0.000 1.224 2.802) 3.058 3.214 ( -0.000 28.680 -4.534) 29.036 3.349 ( 0.000 0.077 -4.791) 4.792 3.606 ( -0.000 0.825 -9.768) 9.803 3.627 ( -0.000 23.614 -10.394) 25.800 3.924 ( -0.000 13.191 4.959) 14.092 4.230 ( -0.000 1.317 10.571) 10.652 4.292 ( 0.000 -16.642 -3.741) 17.058 4.408 ( 0.000 -18.844 1.597) 18.912 4.524 ( -0.000 10.428 -2.657) 10.761 4.791 ( 0.000 -0.631 -3.821) 3.873 4.971 ( 0.000 -3.269 -3.068) 4.483 4.972 ( -0.000 5.965 -1.345) 6.115 5.098 ( -0.000 3.717 0.141) 3.719 5.263 ( -0.000 8.761 -14.700) 17.113 5.484 ( -0.000 6.601 -1.331) 6.734 5.669 ( -0.000 5.163 0.108) 5.164 6.108 ( -0.000 3.658 -4.800) 6.035 6.360 ( -0.000 11.995 6.572) 13.677 6.446 ( -0.000 1.600 7.771) 7.934 6.759 ( 0.000 -2.776 -3.195) 4.232 6.825 ( 0.000 -14.307 8.159) 16.470 6.868 ( -0.000 8.085 -1.260) 8.183 7.092 ( 0.000 -2.049 6.456) 6.773 7.514 ( 0.000 -6.065 0.561) 6.091 7.962 ( 0.000 -4.642 1.158) 4.785 8.189 ( -0.000 4.236 3.624) 5.574 8.275 ( 0.000 -5.405 -3.281) 6.323 8.631 ( 0.000 -12.717 4.344) 13.439 9.346 ( 0.000 -2.431 -0.330) 2.454 9.475 ( 0.000 -11.869 -0.106) 11.869 9.735 ( -0.000 5.049 -19.070) 19.727 9.743 ( 0.000 -7.102 13.908) 15.617 10.128 ( -0.000 16.479 -1.755) 16.572 10.426 ( -0.000 4.524 7.828) 9.041 10.659 ( -0.000 1.853 -9.978) 10.149 10.951 ( 0.000 -0.073 2.622) 2.623 11.159 ( -0.000 7.003 -3.818) 7.976 11.948 ( 0.000 -7.215 4.799) 8.665 12.038 ( 0.000 -3.719 -3.113) 4.850 12.089 ( -0.000 1.308 -3.213) 3.469 12.227 ( 0.000 -2.048 -4.565) 5.003 12.324 ( 0.000 -0.490 -2.724) 2.768 12.666 ( 0.000 -7.405 -6.684) 9.975 12.691 ( 0.000 -5.759 -2.592) 6.316 13.107 ( 0.000 -2.873 8.659) 9.124 13.214 ( 0.000 -8.053 11.761) 14.254 13.772 ( 0.000 -0.329 1.742) 1.773 14.392 ( -0.000 6.346 -7.055) 9.490 14.993 ( -0.000 1.980 5.411) 5.762 17.581 ( 0.000 -1.642 -1.991) 2.581 17.731 ( -0.000 3.173 3.366) 4.626 18.507 ( 0.000 -0.657 -4.877) 4.921 18.885 ( -0.000 7.667 12.096) 14.321 19.404 ( -0.000 15.644 -12.533) 20.045 19.712 ( 0.000 -17.812 5.435) 18.623 19.809 ( -0.000 7.908 4.361) 9.031 20.733 ( 0.000 -13.585 -2.347) 13.786 21.341 ( 0.000 -2.371 7.573) 7.936 23.255 ( -0.000 8.841 -13.748) 16.345 23.503 ( 0.000 -4.310 1.150) 4.461 23.784 ( 0.000 -2.145 -2.027) 2.951 23.872 ( -0.000 1.442 5.722) 5.901 25.022 ( -0.000 3.002 -1.415) 3.318======================= Grid point 165 (89/96) =======================q-point: ( 0.33 -0.33 0.47)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.927 ( -3.835 -37.609 0.000) 37.804 1.890 ( 10.570 -10.497 0.000) 14.897 2.684 ( 0.082 1.480 -0.000) 1.482 3.023 ( -18.736 28.878 -0.000) 34.424 3.346 ( -5.615 -2.906 0.000) 6.322 3.613 ( -8.890 4.392 -0.000) 9.916 3.697 ( -7.483 13.746 -0.000) 15.651 3.930 ( 11.096 2.474 -0.000) 11.369 4.223 ( -9.714 -17.999 0.000) 20.453 4.330 ( 6.038 -10.735 0.000) 12.317 4.410 ( 15.193 3.374 -0.000) 15.563 4.712 ( 3.331 11.251 -0.000) 11.734 4.793 ( -9.274 -2.714 0.000) 9.663 4.936 ( 17.602 18.091 -0.000) 25.241 5.077 ( 3.634 1.491 -0.000) 3.928 5.148 ( -0.400 13.289 -0.000) 13.295 5.443 ( 7.954 2.788 -0.000) 8.429 5.617 ( 5.649 11.044 -0.000) 12.405 5.804 ( 5.449 4.592 -0.000) 7.126 5.968 ( -16.932 2.109 0.000) 17.063 6.264 ( 0.506 -9.190 0.000) 9.204 6.375 ( 4.227 11.927 -0.000) 12.654 6.504 ( -15.736 -7.715 0.000) 17.525 6.866 ( 3.652 -8.413 0.000) 9.171 6.934 ( -6.385 -1.888 0.000) 6.658 7.074 ( 9.662 2.648 -0.000) 10.019 7.428 ( -4.981 -1.429 0.000) 5.182 7.799 ( -11.434 -0.798 0.000) 11.462 8.158 ( 4.661 -0.865 0.000) 4.740 8.356 ( 2.053 -8.726 0.000) 8.964 8.758 ( 7.193 -11.185 0.000) 13.298 9.341 ( -0.680 -2.637 0.000) 2.723 9.490 ( -5.619 -10.485 0.000) 11.896 9.512 ( 1.542 -9.768 0.000) 9.888 9.966 ( -6.789 1.715 -0.000) 7.002 10.020 ( -4.178 17.797 -0.000) 18.281 10.302 ( -0.495 6.978 -0.000) 6.995 10.857 ( 7.201 1.653 -0.000) 7.388 10.873 ( -5.212 0.104 0.000) 5.214 11.213 ( 3.233 11.048 -0.000) 11.511 11.857 ( -3.534 -3.024 0.000) 4.651 11.993 ( -17.422 4.607 -0.000) 18.021 12.189 ( 8.724 -15.431 0.000) 17.727 12.304 ( 8.206 3.451 -0.000) 8.902 12.395 ( 1.489 -3.332 0.000) 3.650 12.439 ( -8.060 -1.438 0.000) 8.187 12.754 ( -0.517 -11.678 0.000) 11.689 13.000 ( -4.681 -5.240 0.000) 7.026 13.463 ( 25.960 -7.257 0.000) 26.955 13.715 ( -3.478 -0.407 0.000) 3.501 14.421 ( -4.473 4.273 -0.000) 6.186 14.992 ( 5.679 4.627 -0.000) 7.325 17.601 ( -0.238 -1.537 0.000) 1.555 17.694 ( 0.197 2.211 -0.000) 2.220 18.588 ( -4.985 6.060 -0.000) 7.847 18.629 ( -4.426 1.595 -0.000) 4.704 19.596 ( -6.038 -16.746 0.000) 17.802 19.656 ( 5.008 10.897 -0.000) 11.993 19.779 ( 8.591 16.208 -0.000) 18.344 20.919 ( 14.319 -19.890 0.000) 24.508 21.254 ( -0.426 3.483 -0.000) 3.509 22.923 ( -27.226 -5.974 0.000) 27.873 23.683 ( -3.270 4.226 -0.000) 5.344 23.746 ( -2.957 5.712 -0.000) 6.432 24.014 ( 19.983 -4.019 0.000) 20.383 25.038 ( 0.017 3.229 -0.000) 3.229======================= Grid point 178 (90/96) =======================q-point: (-0.36 -0.36 0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.054 ( 0.000 -0.000 21.262) 21.262 2.312 ( 0.000 -0.000 19.483) 19.483 2.765 ( 0.000 -0.000 0.668) 0.668 3.074 ( -0.000 0.000 -20.653) 20.653 3.262 ( -0.000 0.000 -5.233) 5.233 3.847 ( 0.000 -0.000 0.189) 0.189 3.908 ( -0.000 0.000 -3.618) 3.618 4.042 ( -0.000 0.000 -3.657) 3.657 4.042 ( -0.000 0.000 -22.635) 22.635 4.084 ( 0.000 -0.000 4.786) 4.786 4.158 ( 0.000 -0.000 5.351) 5.351 4.475 ( 0.000 -0.000 8.463) 8.463 4.630 ( -0.000 0.000 -24.333) 24.333 4.818 ( 0.000 -0.000 0.723) 0.723 4.976 ( -0.000 0.000 -3.835) 3.835 5.118 ( 0.000 -0.000 0.050) 0.050 5.236 ( 0.000 -0.000 1.996) 1.996 5.453 ( -0.000 0.000 -6.448) 6.448 5.843 ( 0.000 -0.000 3.096) 3.096 6.202 ( 0.000 -0.000 6.551) 6.551 6.541 ( -0.000 0.000 -1.706) 1.706 6.579 ( 0.000 -0.000 1.718) 1.718 6.645 ( -0.000 0.000 -4.005) 4.005 6.924 ( 0.000 -0.000 17.982) 17.982 6.936 ( -0.000 0.000 -15.258) 15.258 7.037 ( 0.000 -0.000 2.165) 2.165 7.428 ( -0.000 0.000 -1.164) 1.164 7.933 ( 0.000 -0.000 1.560) 1.560 8.169 ( 0.000 -0.000 6.627) 6.627 8.244 ( -0.000 0.000 -2.035) 2.035 8.933 ( 0.000 -0.000 30.930) 30.930 9.320 ( -0.000 0.000 -0.968) 0.968 9.328 ( 0.000 -0.000 0.676) 0.676 9.365 ( -0.000 0.000 -22.178) 22.178 9.990 ( 0.000 -0.000 13.891) 13.891 10.247 ( -0.000 0.000 -5.835) 5.835 10.498 ( -0.000 0.000 -6.700) 6.700 10.550 ( 0.000 -0.000 0.386) 0.386 10.979 ( 0.000 -0.000 0.916) 0.916 10.995 ( -0.000 0.000 -14.719) 14.719 11.889 ( -0.000 0.000 -3.669) 3.669 12.008 ( -0.000 0.000 -3.421) 3.421 12.044 ( -0.000 0.000 -9.599) 9.599 12.070 ( 0.000 -0.000 10.488) 10.488 12.360 ( 0.000 -0.000 2.225) 2.225 12.452 ( -0.000 0.000 -7.496) 7.496 12.770 ( 0.000 -0.000 8.138) 8.138 13.254 ( 0.000 -0.000 9.374) 9.374 13.342 ( 0.000 -0.000 10.888) 10.888 13.780 ( -0.000 0.000 -1.286) 1.286 14.299 ( -0.000 0.000 -8.816) 8.816 15.113 ( 0.000 -0.000 6.227) 6.227 17.515 ( -0.000 0.000 -3.073) 3.073 17.861 ( 0.000 -0.000 5.125) 5.125 18.417 ( -0.000 0.000 -1.318) 1.318 19.265 ( 0.000 -0.000 14.207) 14.207 19.388 ( -0.000 0.000 -12.031) 12.031 19.615 ( 0.000 -0.000 7.138) 7.138 19.628 ( -0.000 0.000 -13.613) 13.613 20.784 ( 0.000 -0.000 10.369) 10.369 21.471 ( 0.000 -0.000 8.990) 8.990 23.149 ( -0.000 0.000 -10.564) 10.564 23.493 ( 0.000 -0.000 2.502) 2.502 23.638 ( -0.000 0.000 -7.231) 7.231 23.973 ( 0.000 -0.000 3.265) 3.265 25.006 ( -0.000 0.000 -3.096) 3.096======================= Grid point 179 (91/96) =======================q-point: ( 0.50 -0.36 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.632 ( 0.526 -0.000 20.256) 20.263 1.972 ( 8.777 -0.000 19.561) 21.440 2.719 ( -0.495 -0.000 2.230) 2.284 3.272 ( -7.716 -0.000 -4.265) 8.816 3.391 ( -31.956 -0.000 -3.364) 32.132 3.525 ( 4.757 0.000 -13.841) 14.636 3.791 ( -9.465 -0.000 2.849) 9.884 4.028 ( 1.810 -0.000 4.603) 4.946 4.069 ( 2.713 -0.000 6.380) 6.932 4.123 ( 0.736 0.000 -3.590) 3.665 4.558 ( 18.792 0.000 -0.304) 18.794 4.585 ( -4.499 0.000 -8.229) 9.379 4.812 ( 2.681 0.000 1.249) 2.957 4.990 ( 7.842 0.000 -7.377) 10.767 5.056 ( -0.072 0.000 -11.604) 11.605 5.303 ( 13.436 0.000 -2.197) 13.615 5.382 ( 7.841 0.000 -2.338) 8.182 5.680 ( 9.552 0.000 -10.496) 14.192 5.879 ( 10.167 0.000 -0.097) 10.168 6.019 ( -10.190 -0.000 2.555) 10.505 6.240 ( -21.154 -0.000 10.968) 23.828 6.410 ( -13.737 -0.000 2.379) 13.942 6.569 ( 2.835 0.000 1.623) 3.266 6.767 ( 3.366 0.000 -0.114) 3.368 6.968 ( -5.448 -0.000 8.121) 9.779 7.265 ( 16.514 0.000 4.767) 17.188 7.326 ( -9.303 -0.000 1.136) 9.372 7.809 ( -8.539 -0.000 1.100) 8.610 8.237 ( 1.668 -0.000 3.208) 3.615 8.391 ( 7.324 0.000 -18.705) 20.088 8.422 ( -2.198 -0.000 17.873) 18.007 9.319 ( 0.133 -0.000 0.709) 0.722 9.338 ( 0.182 0.000 -0.955) 0.972 9.614 ( -5.885 -0.000 5.725) 8.210 9.721 ( -4.135 0.000 -8.657) 9.593 10.359 ( 2.134 0.000 -3.822) 4.378 10.411 ( -4.195 -0.000 11.525) 12.265 10.657 ( -2.387 0.000 -12.664) 12.887 11.006 ( 5.423 -0.000 6.057) 8.129 11.240 ( -0.312 0.000 -10.230) 10.235 11.926 ( -7.289 -0.000 -4.512) 8.572 11.937 ( 7.119 -0.000 7.910) 10.642 12.034 ( -11.402 -0.000 -1.611) 11.515 12.198 ( 3.618 0.000 -14.505) 14.949 12.335 ( 0.154 0.000 -0.228) 0.275 12.476 ( -5.829 -0.000 7.072) 9.165 12.639 ( 6.594 0.000 -2.214) 6.955 13.076 ( -3.629 -0.000 11.207) 11.779 13.421 ( 22.841 0.000 3.497) 23.107 13.731 ( -3.695 -0.000 1.647) 4.045 14.423 ( -3.490 0.000 -4.200) 5.461 15.052 ( 4.039 0.000 1.538) 4.322 17.561 ( -0.421 0.000 -2.208) 2.248 17.767 ( 0.342 -0.000 4.605) 4.618 18.434 ( -6.102 0.000 -8.500) 10.463 18.939 ( -3.828 -0.000 15.391) 15.860 19.446 ( -6.220 -0.000 2.878) 6.853 19.679 ( 6.304 0.000 -8.164) 10.315 19.904 ( 4.741 0.000 -8.101) 9.386 20.753 ( 16.108 0.000 7.346) 17.704 21.354 ( 3.465 -0.000 6.016) 6.942 22.844 ( -29.689 -0.000 -1.450) 29.724 23.699 ( -4.767 -0.000 -3.658) 6.008 23.722 ( 2.523 0.000 -5.993) 6.502 24.028 ( 16.428 0.000 4.397) 17.007 25.054 ( 0.022 0.000 -1.628) 1.628======================= Grid point 181 (92/96) =======================q-point: ( 0.36 -0.36 -0.36)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.577 ( 17.579 0.000 -0.000) 17.579 2.040 ( 17.182 0.000 -0.000) 17.182 2.657 ( -4.389 -0.000 0.000) 4.389 2.845 ( -25.608 -0.000 0.000) 25.608 3.172 ( -7.414 -0.000 0.000) 7.414 3.367 ( -17.829 -0.000 0.000) 17.829 3.800 ( 0.342 0.000 -0.000) 0.342 3.953 ( 1.275 0.000 -0.000) 1.275 4.109 ( -8.909 -0.000 0.000) 8.909 4.221 ( 15.960 0.000 -0.000) 15.960 4.430 ( -11.694 -0.000 0.000) 11.694 4.865 ( 6.464 0.000 -0.000) 6.464 5.054 ( 22.962 0.000 -0.000) 22.962 5.101 ( -7.994 -0.000 0.000) 7.994 5.187 ( 3.641 0.000 -0.000) 3.641 5.470 ( -8.163 -0.000 0.000) 8.163 5.603 ( -18.923 -0.000 0.000) 18.923 5.605 ( 12.646 0.000 -0.000) 12.646 5.890 ( -3.335 -0.000 0.000) 3.335 5.973 ( -26.261 -0.000 0.000) 26.261 6.124 ( 19.122 0.000 -0.000) 19.122 6.231 ( 20.246 0.000 -0.000) 20.246 6.612 ( -14.530 -0.000 0.000) 14.530 6.657 ( 7.032 0.000 -0.000) 7.032 6.895 ( 6.272 0.000 -0.000) 6.272 7.034 ( -20.809 -0.000 0.000) 20.809 7.426 ( 8.266 0.000 -0.000) 8.266 7.636 ( -6.615 -0.000 0.000) 6.615 8.161 ( -7.580 -0.000 0.000) 7.580 8.305 ( 10.076 0.000 -0.000) 10.076 8.825 ( 10.012 0.000 -0.000) 10.012 9.298 ( -3.011 -0.000 0.000) 3.011 9.314 ( 0.749 0.000 -0.000) 0.749 9.490 ( 7.895 0.000 -0.000) 7.895 9.838 ( -6.604 -0.000 0.000) 6.604 10.042 ( -8.128 -0.000 0.000) 8.128 10.467 ( 4.595 0.000 -0.000) 4.595 10.703 ( -9.798 -0.000 0.000) 9.798 11.047 ( 9.421 0.000 -0.000) 9.421 11.343 ( -0.033 -0.000 0.000) 0.033 11.590 ( -20.716 -0.000 0.000) 20.716 11.992 ( -0.414 -0.000 0.000) 0.414 12.000 ( 0.356 0.000 -0.000) 0.356 12.347 ( 0.948 0.000 -0.000) 0.948 12.380 ( 0.990 0.000 -0.000) 0.990 12.518 ( -5.553 -0.000 0.000) 5.553 12.729 ( 20.127 0.000 -0.000) 20.127 13.003 ( 8.664 0.000 -0.000) 8.664 13.606 ( -6.861 -0.000 0.000) 6.861 13.807 ( 17.507 0.000 -0.000) 17.507 14.314 ( -9.682 -0.000 0.000) 9.682 15.205 ( 10.535 0.000 -0.000) 10.535 17.578 ( -0.708 -0.000 0.000) 0.708 17.720 ( 0.386 0.000 -0.000) 0.386 18.530 ( -6.749 -0.000 0.000) 6.749 18.557 ( -5.020 -0.000 0.000) 5.020 19.272 ( -8.455 -0.000 0.000) 8.455 19.856 ( 4.131 0.000 -0.000) 4.131 20.084 ( 5.184 0.000 -0.000) 5.184 21.143 ( 28.566 0.000 -0.000) 28.566 21.396 ( 6.761 0.000 -0.000) 6.761 22.251 ( -30.021 -0.000 0.000) 30.021 23.599 ( -8.412 -0.000 0.000) 8.412 23.726 ( -4.605 -0.000 0.000) 4.605 24.341 ( 15.383 0.000 -0.000) 15.383 25.058 ( -1.480 -0.000 0.000) 1.480======================= Grid point 200 (93/96) =======================q-point: ( 0.40 -0.40 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.982 ( 0.000 -40.543 0.000) 40.543 1.783 ( 0.000 -10.708 0.000) 10.708 2.679 ( -0.000 1.621 -0.000) 1.621 3.243 ( -0.000 33.654 -0.000) 33.654 3.403 ( 0.000 -0.962 0.000) 0.962 3.744 ( -0.000 12.483 -0.000) 12.483 3.760 ( 0.000 -3.457 0.000) 3.457 3.862 ( -0.000 20.544 -0.000) 20.544 4.079 ( -0.000 3.295 -0.000) 3.295 4.333 ( 0.000 -17.803 0.000) 17.803 4.392 ( 0.000 -20.504 0.000) 20.504 4.540 ( -0.000 24.848 -0.000) 24.848 4.832 ( -0.000 2.823 -0.000) 2.823 4.955 ( 0.000 -10.931 0.000) 10.931 4.985 ( -0.000 6.350 -0.000) 6.350 5.097 ( -0.000 5.710 -0.000) 5.710 5.477 ( -0.000 13.483 -0.000) 13.483 5.490 ( -0.000 7.617 -0.000) 7.617 5.699 ( -0.000 0.719 -0.000) 0.719 6.231 ( -0.000 7.327 -0.000) 7.327 6.254 ( -0.000 11.071 -0.000) 11.071 6.296 ( 0.000 -4.328 0.000) 4.328 6.749 ( 0.000 -15.019 0.000) 15.019 6.825 ( 0.000 -9.686 0.000) 9.686 6.853 ( -0.000 9.919 -0.000) 9.919 7.003 ( 0.000 -1.020 0.000) 1.020 7.489 ( 0.000 -0.606 0.000) 0.606 7.951 ( 0.000 -4.256 0.000) 4.256 8.118 ( 0.000 -0.264 0.000) 0.264 8.297 ( 0.000 -3.891 0.000) 3.891 8.685 ( 0.000 -12.511 0.000) 12.511 9.348 ( 0.000 -3.143 0.000) 3.143 9.505 ( 0.000 -9.301 0.000) 9.301 9.552 ( 0.000 -11.670 0.000) 11.670 10.042 ( -0.000 2.653 -0.000) 2.653 10.060 ( -0.000 19.697 -0.000) 19.697 10.312 ( -0.000 5.151 -0.000) 5.151 10.778 ( -0.000 0.999 -0.000) 0.999 10.927 ( -0.000 0.367 -0.000) 0.367 11.174 ( -0.000 12.627 -0.000) 12.627 11.906 ( 0.000 -11.321 0.000) 11.321 12.082 ( 0.000 -10.422 0.000) 10.422 12.105 ( -0.000 12.196 -0.000) 12.196 12.248 ( 0.000 -1.299 0.000) 1.299 12.375 ( 0.000 -1.893 0.000) 1.893 12.752 ( 0.000 -11.837 0.000) 11.837 12.758 ( 0.000 -12.773 0.000) 12.773 12.998 ( 0.000 -0.257 0.000) 0.257 13.062 ( 0.000 -6.387 0.000) 6.387 13.750 ( 0.000 -0.267 0.000) 0.267 14.467 ( -0.000 5.392 -0.000) 5.392 14.935 ( -0.000 4.161 -0.000) 4.161 17.604 ( 0.000 -1.556 0.000) 1.556 17.692 ( -0.000 2.295 -0.000) 2.295 18.645 ( -0.000 5.941 -0.000) 5.941 18.675 ( -0.000 1.738 -0.000) 1.738 19.603 ( -0.000 11.562 -0.000) 11.562 19.661 ( 0.000 -16.671 0.000) 16.671 19.683 ( -0.000 18.750 -0.000) 18.750 20.775 ( 0.000 -22.086 0.000) 22.086 21.255 ( 0.000 -0.100 0.000) 0.100 23.417 ( -0.000 4.148 -0.000) 4.148 23.491 ( 0.000 -4.428 0.000) 4.428 23.776 ( -0.000 5.731 -0.000) 5.731 23.820 ( 0.000 -2.857 0.000) 2.857 25.036 ( -0.000 3.258 -0.000) 3.258======================= Grid point 216 (94/96) =======================q-point: (-0.43 0.57 -0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.643 ( 0.000 -0.000 20.559) 20.559 1.884 ( 0.000 -0.000 21.301) 21.301 2.720 ( 0.000 -0.000 2.483) 2.483 3.353 ( -0.000 0.000 -4.162) 4.162 3.460 ( -0.000 0.000 -18.044) 18.044 3.836 ( 0.000 -0.000 0.678) 0.678 3.919 ( 0.000 -0.000 2.701) 2.701 4.009 ( 0.000 -0.000 2.803) 2.803 4.104 ( -0.000 0.000 -0.675) 0.675 4.112 ( -0.000 0.000 -3.121) 3.121 4.273 ( 0.000 -0.000 11.710) 11.710 4.466 ( -0.000 0.000 -20.473) 20.473 4.822 ( -0.000 0.000 -0.700) 0.700 4.932 ( -0.000 0.000 -1.107) 1.107 5.027 ( -0.000 0.000 -1.797) 1.797 5.138 ( -0.000 0.000 -1.478) 1.478 5.361 ( -0.000 0.000 -18.085) 18.085 5.553 ( -0.000 0.000 -2.994) 2.994 5.775 ( 0.000 -0.000 3.154) 3.154 6.155 ( -0.000 0.000 -2.549) 2.549 6.478 ( 0.000 -0.000 7.161) 7.161 6.544 ( 0.000 -0.000 1.657) 1.657 6.600 ( 0.000 -0.000 15.578) 15.578 6.703 ( -0.000 0.000 -1.711) 1.711 7.025 ( 0.000 -0.000 4.697) 4.697 7.029 ( -0.000 0.000 -0.235) 0.235 7.413 ( 0.000 -0.000 0.350) 0.350 7.912 ( 0.000 -0.000 0.701) 0.701 8.224 ( 0.000 -0.000 3.389) 3.389 8.304 ( -0.000 0.000 -16.155) 16.155 8.442 ( 0.000 -0.000 18.084) 18.084 9.318 ( 0.000 -0.000 0.358) 0.358 9.345 ( -0.000 0.000 -1.682) 1.682 9.667 ( 0.000 -0.000 17.274) 17.274 9.779 ( -0.000 0.000 -20.554) 20.554 10.338 ( -0.000 0.000 -3.417) 3.417 10.457 ( 0.000 -0.000 9.395) 9.395 10.684 ( -0.000 0.000 -9.837) 9.837 10.938 ( 0.000 -0.000 2.038) 2.038 11.242 ( -0.000 0.000 -9.947) 9.947 11.856 ( 0.000 -0.000 10.108) 10.108 11.948 ( -0.000 0.000 -2.333) 2.333 12.152 ( -0.000 0.000 -9.539) 9.539 12.206 ( -0.000 0.000 -5.484) 5.484 12.335 ( -0.000 0.000 -0.820) 0.820 12.577 ( -0.000 0.000 -4.593) 4.593 12.639 ( 0.000 -0.000 5.163) 5.163 13.082 ( 0.000 -0.000 7.875) 7.875 13.122 ( 0.000 -0.000 11.022) 11.022 13.768 ( 0.000 -0.000 1.679) 1.679 14.454 ( -0.000 0.000 -6.500) 6.500 15.015 ( 0.000 -0.000 3.805) 3.805 17.565 ( -0.000 0.000 -2.103) 2.103 17.763 ( 0.000 -0.000 4.458) 4.458 18.501 ( -0.000 0.000 -7.695) 7.695 18.980 ( 0.000 -0.000 15.122) 15.122 19.515 ( 0.000 -0.000 3.378) 3.378 19.610 ( -0.000 0.000 -10.173) 10.173 19.849 ( -0.000 0.000 -8.826) 8.826 20.589 ( 0.000 -0.000 9.202) 9.202 21.319 ( 0.000 -0.000 6.312) 6.312 23.352 ( -0.000 0.000 -9.719) 9.719 23.457 ( 0.000 -0.000 1.257) 1.257 23.747 ( -0.000 0.000 -4.013) 4.013 23.893 ( 0.000 -0.000 4.719) 4.719 25.052 ( -0.000 0.000 -1.675) 1.675======================= Grid point 218 (95/96) =======================q-point: ( 0.43 -0.43 0.57)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.382 ( 2.069 0.000 -0.000) 2.069 1.760 ( 10.704 0.000 -0.000) 10.704 2.695 ( -0.302 -0.000 0.000) 0.302 3.322 ( -7.118 -0.000 0.000) 7.118 3.422 ( -30.861 -0.000 0.000) 30.861 3.640 ( -8.251 -0.000 0.000) 8.251 3.863 ( -7.491 -0.000 0.000) 7.491 3.891 ( 5.079 0.000 -0.000) 5.079 4.009 ( 3.543 0.000 -0.000) 3.543 4.158 ( 0.752 0.000 -0.000) 0.752 4.562 ( 25.327 0.000 -0.000) 25.327 4.674 ( -11.126 -0.000 0.000) 11.126 4.801 ( -0.126 -0.000 0.000) 0.126 5.099 ( 16.802 0.000 -0.000) 16.802 5.109 ( 4.464 0.000 -0.000) 4.464 5.329 ( 14.071 0.000 -0.000) 14.071 5.428 ( -2.136 -0.000 0.000) 2.136 5.813 ( 10.690 0.000 -0.000) 10.690 5.883 ( 13.800 0.000 -0.000) 13.800 6.009 ( -21.366 -0.000 0.000) 21.366 6.112 ( -12.181 -0.000 0.000) 12.181 6.383 ( -14.579 -0.000 0.000) 14.579 6.542 ( 5.512 0.000 -0.000) 5.512 6.775 ( 5.089 0.000 -0.000) 5.089 6.852 ( -9.249 -0.000 0.000) 9.249 7.197 ( 13.531 0.000 -0.000) 13.531 7.328 ( -9.479 -0.000 0.000) 9.479 7.800 ( -8.764 -0.000 0.000) 8.764 8.184 ( 2.972 0.000 -0.000) 2.972 8.265 ( -2.918 -0.000 0.000) 2.918 8.629 ( 9.459 0.000 -0.000) 9.459 9.312 ( -0.204 -0.000 0.000) 0.204 9.374 ( -4.202 -0.000 0.000) 4.202 9.405 ( 1.172 0.000 -0.000) 1.172 9.986 ( -7.305 -0.000 0.000) 7.305 10.198 ( -6.829 -0.000 0.000) 6.829 10.396 ( 2.533 0.000 -0.000) 2.533 10.859 ( -5.861 -0.000 0.000) 5.861 10.878 ( 7.474 0.000 -0.000) 7.474 11.343 ( 0.037 0.000 -0.000) 0.037 11.851 ( 9.286 0.000 -0.000) 9.286 11.983 ( 1.015 0.000 -0.000) 1.015 12.037 ( -22.265 -0.000 0.000) 22.265 12.370 ( -4.942 -0.000 0.000) 4.942 12.373 ( -0.034 -0.000 0.000) 0.034 12.399 ( 12.687 0.000 -0.000) 12.687 12.625 ( -1.198 -0.000 0.000) 1.198 12.946 ( -2.785 -0.000 0.000) 2.785 13.386 ( 24.829 0.000 -0.000) 24.829 13.710 ( -3.712 -0.000 0.000) 3.712 14.465 ( -5.539 -0.000 0.000) 5.539 15.038 ( 6.168 0.000 -0.000) 6.168 17.586 ( -0.231 -0.000 0.000) 0.231 17.716 ( 0.120 0.000 -0.000) 0.120 18.645 ( -4.573 -0.000 0.000) 4.573 18.661 ( -4.995 -0.000 0.000) 4.995 19.418 ( -6.080 -0.000 0.000) 6.080 19.766 ( 4.155 0.000 -0.000) 4.155 19.987 ( 4.353 0.000 -0.000) 4.353 20.674 ( 18.265 0.000 -0.000) 18.265 21.292 ( 3.775 0.000 -0.000) 3.775 22.858 ( -31.540 -0.000 0.000) 31.540 23.734 ( -5.113 -0.000 0.000) 5.113 23.802 ( -2.958 -0.000 0.000) 2.958 23.965 ( 23.023 0.000 -0.000) 23.023 25.070 ( -0.009 -0.000 0.000) 0.009======================= Grid point 253 (96/96) =======================q-point: ( 0.50 -0.50 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.98e-04 2.98e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 48Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.389 ( 0.000 0.000 -0.000) 0.000 1.651 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 -0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 -0.000) 0.000 4.115 ( 0.000 0.000 -0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 -0.000) 0.000 4.781 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 -0.000) 0.000 4.831 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 -0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.574 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 6.253 ( 0.000 0.000 -0.000) 0.000 6.361 ( 0.000 0.000 -0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.527 ( 0.000 0.000 -0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.946 ( -0.000 0.000 -0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 7.905 ( 0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.289 ( 0.000 0.000 0.000) 0.000 8.517 ( 0.000 0.000 0.000) 0.000 9.315 ( 0.000 0.000 -0.000) 0.000 9.403 ( 0.000 0.000 0.000) 0.000 9.423 ( 0.000 0.000 0.000) 0.000 10.070 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 -0.000) 0.000 10.371 ( -0.000 0.000 -0.000) 0.000 10.794 ( 0.000 0.000 0.000) 0.000 10.919 ( -0.000 0.000 -0.000) 0.000 11.342 ( 0.000 0.000 0.000) 0.000 11.746 ( 0.000 0.000 0.000) 0.000 11.972 ( -0.000 0.000 -0.000) 0.000 12.236 ( 0.000 0.000 0.000) 0.000 12.270 ( 0.000 0.000 0.000) 0.000 12.374 ( 0.000 0.000 0.000) 0.000 12.587 ( 0.000 0.000 0.000) 0.000 12.621 ( 0.000 0.000 0.000) 0.000 12.994 ( 0.000 0.000 -0.000) 0.000 12.996 ( 0.000 0.000 0.000) 0.000 13.747 ( 0.000 0.000 0.000) 0.000 14.521 ( 0.000 0.000 0.000) 0.000 14.976 ( 0.000 0.000 -0.000) 0.000 17.588 ( 0.000 0.000 0.000) 0.000 17.715 ( 0.000 0.000 0.000) 0.000 18.692 ( 0.000 0.000 0.000) 0.000 18.717 ( 0.000 0.000 0.000) 0.000 19.483 ( 0.000 0.000 0.000) 0.000 19.722 ( 0.000 0.000 0.000) 0.000 19.939 ( 0.000 0.000 -0.000) 0.000 20.486 ( 0.000 0.000 -0.000) 0.000 21.254 ( 0.000 0.000 0.000) 0.000 23.445 ( 0.000 0.000 -0.000) 0.000 23.463 ( 0.000 0.000 0.000) 0.000 23.786 ( 0.000 0.000 0.000) 0.000 23.832 ( 0.000 0.000 0.000) 0.000 25.069 ( -0.000 0.000 -0.000) 0.000=================== 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 3/32340 10.0 403.164 751.668 582.332 -0.000 -0.000 0.000 3/32340 20.0 58.888 126.395 48.152 -0.000 -0.000 -0.000 3/32340 30.0 23.716 41.338 20.333 -0.000 0.000 0.000 3/32340 40.0 14.531 20.873 12.500 -0.000 0.000 0.000 3/32340 50.0 10.550 13.376 8.954 -0.000 0.000 0.000 3/32340 60.0 8.346 9.792 6.977 -0.000 0.000 0.000 3/32340 70.0 6.942 7.752 5.734 -0.000 0.000 0.000 3/32340 80.0 5.966 6.448 4.887 -0.000 0.000 0.000 3/32340 90.0 5.247 5.545 4.273 -0.000 0.000 0.000 3/32340 100.0 4.693 4.883 3.809 -0.000 0.000 0.000 3/32340 110.0 4.253 4.375 3.445 -0.000 0.000 0.000 3/32340 120.0 3.896 3.974 3.151 -0.000 -0.000 0.000 3/32340 130.0 3.599 3.648 2.908 -0.000 -0.000 0.000 3/32340 140.0 3.348 3.378 2.704 -0.000 -0.000 0.000 3/32340 150.0 3.133 3.151 2.529 -0.000 -0.000 0.000 3/32340 160.0 2.947 2.956 2.378 -0.000 -0.000 0.000 3/32340 170.0 2.784 2.787 2.245 -0.000 -0.000 0.000 3/32340 180.0 2.640 2.639 2.127 -0.000 -0.000 0.000 3/32340 190.0 2.512 2.508 2.022 -0.000 -0.000 0.000 3/32340 200.0 2.397 2.391 1.928 -0.000 -0.000 0.000 3/32340 210.0 2.293 2.286 1.842 -0.000 -0.000 0.000 3/32340 220.0 2.199 2.191 1.764 -0.000 -0.000 0.000 3/32340 230.0 2.112 2.104 1.693 -0.000 -0.000 0.000 3/32340 240.0 2.033 2.024 1.627 -0.000 -0.000 0.000 3/32340 250.0 1.960 1.951 1.567 -0.000 -0.000 0.000 3/32340 260.0 1.893 1.883 1.511 -0.000 -0.000 0.000 3/32340 270.0 1.830 1.820 1.459 -0.000 -0.000 0.000 3/32340 280.0 1.771 1.762 1.411 -0.000 -0.000 0.000 3/32340 290.0 1.717 1.707 1.365 -0.000 -0.000 0.000 3/32340 300.0 1.665 1.656 1.323 -0.000 -0.000 0.000 3/32340 310.0 1.617 1.608 1.283 -0.000 -0.000 0.000 3/32340 320.0 1.572 1.562 1.246 -0.000 -0.000 0.000 3/32340 330.0 1.529 1.520 1.210 -0.000 -0.000 0.000 3/32340 340.0 1.488 1.479 1.177 -0.000 -0.000 0.000 3/32340 350.0 1.450 1.441 1.145 -0.000 -0.000 0.000 3/32340 360.0 1.413 1.404 1.115 -0.000 -0.000 0.000 3/32340 370.0 1.379 1.370 1.087 -0.000 -0.000 0.000 3/32340 380.0 1.346 1.337 1.060 -0.000 -0.000 0.000 3/32340 390.0 1.314 1.306 1.034 -0.000 -0.000 0.000 3/32340 400.0 1.284 1.276 1.010 -0.000 -0.000 0.000 3/32340 410.0 1.256 1.247 0.986 -0.000 -0.000 0.000 3/32340 420.0 1.228 1.220 0.964 -0.000 -0.000 0.000 3/32340 430.0 1.202 1.194 0.943 -0.000 -0.000 0.000 3/32340 440.0 1.177 1.168 0.922 -0.000 -0.000 0.000 3/32340 450.0 1.153 1.144 0.903 -0.000 -0.000 0.000 3/32340 460.0 1.130 1.121 0.884 -0.000 -0.000 0.000 3/32340 470.0 1.107 1.099 0.866 -0.000 -0.000 0.000 3/32340 480.0 1.086 1.078 0.849 -0.000 -0.000 0.000 3/32340 490.0 1.065 1.057 0.832 -0.000 -0.000 0.000 3/32340 500.0 1.045 1.037 0.816 -0.000 -0.000 0.000 3/32340 510.0 1.026 1.018 0.801 -0.000 -0.000 0.000 3/32340 520.0 1.008 1.000 0.786 -0.000 -0.000 0.000 3/32340 530.0 0.990 0.982 0.772 -0.000 -0.000 0.000 3/32340 540.0 0.973 0.965 0.758 -0.000 -0.000 0.000 3/32340 550.0 0.956 0.948 0.744 -0.000 -0.000 0.000 3/32340 560.0 0.940 0.932 0.732 -0.000 -0.000 0.000 3/32340 570.0 0.925 0.917 0.719 -0.000 -0.000 0.000 3/32340 580.0 0.910 0.902 0.707 -0.000 -0.000 0.000 3/32340 590.0 0.895 0.887 0.696 -0.000 -0.000 0.000 3/32340 600.0 0.881 0.873 0.684 -0.000 -0.000 0.000 3/32340 610.0 0.867 0.860 0.673 -0.000 -0.000 0.000 3/32340 620.0 0.854 0.847 0.663 -0.000 -0.000 0.000 3/32340 630.0 0.841 0.834 0.653 -0.000 -0.000 0.000 3/32340 640.0 0.829 0.821 0.643 -0.000 -0.000 0.000 3/32340 650.0 0.816 0.809 0.633 -0.000 -0.000 0.000 3/32340 660.0 0.805 0.797 0.624 -0.000 -0.000 0.000 3/32340 670.0 0.793 0.786 0.615 -0.000 -0.000 0.000 3/32340 680.0 0.782 0.775 0.606 -0.000 -0.000 0.000 3/32340 690.0 0.771 0.764 0.597 -0.000 -0.000 0.000 3/32340 700.0 0.761 0.754 0.589 -0.000 -0.000 0.000 3/32340 710.0 0.750 0.743 0.581 -0.000 -0.000 0.000 3/32340 720.0 0.740 0.734 0.573 -0.000 -0.000 0.000 3/32340 730.0 0.731 0.724 0.565 -0.000 -0.000 0.000 3/32340 740.0 0.721 0.714 0.558 -0.000 -0.000 0.000 3/32340 750.0 0.712 0.705 0.551 -0.000 -0.000 0.000 3/32340 760.0 0.703 0.696 0.543 -0.000 -0.000 0.000 3/32340 770.0 0.694 0.687 0.537 -0.000 -0.000 0.000 3/32340 780.0 0.685 0.679 0.530 -0.000 -0.000 0.000 3/32340 790.0 0.677 0.671 0.523 -0.000 -0.000 0.000 3/32340 800.0 0.669 0.663 0.517 -0.000 -0.000 0.000 3/32340 810.0 0.661 0.655 0.511 -0.000 -0.000 0.000 3/32340 820.0 0.653 0.647 0.504 -0.000 -0.000 0.000 3/32340 830.0 0.646 0.639 0.498 -0.000 -0.000 0.000 3/32340 840.0 0.638 0.632 0.493 -0.000 -0.000 0.000 3/32340 850.0 0.631 0.625 0.487 -0.000 -0.000 0.000 3/32340 860.0 0.624 0.618 0.481 -0.000 -0.000 0.000 3/32340 870.0 0.617 0.611 0.476 -0.000 -0.000 0.000 3/32340 880.0 0.610 0.604 0.471 -0.000 -0.000 0.000 3/32340 890.0 0.603 0.597 0.465 -0.000 -0.000 0.000 3/32340 900.0 0.597 0.591 0.460 -0.000 -0.000 0.000 3/32340 910.0 0.590 0.584 0.455 -0.000 -0.000 0.000 3/32340 920.0 0.584 0.578 0.450 -0.000 -0.000 0.000 3/32340 930.0 0.578 0.572 0.446 -0.000 -0.000 0.000 3/32340 940.0 0.572 0.566 0.441 -0.000 -0.000 0.000 3/32340 950.0 0.566 0.560 0.436 -0.000 -0.000 0.000 3/32340 960.0 0.560 0.555 0.432 -0.000 -0.000 0.000 3/32340 970.0 0.555 0.549 0.428 -0.000 -0.000 0.000 3/32340 980.0 0.549 0.544 0.423 -0.000 -0.000 0.000 3/32340 990.0 0.544 0.538 0.419 -0.000 -0.000 0.000 3/32340 1000.0 0.539 0.533 0.415 -0.000 -0.000 0.000 3/32340Thermal conductivity related properties were written into "kappa-m1770.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 02:03:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|