# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/b723e551-539e-4453-8fcf-3ff92c5a7401/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 Nd2HgO4 / C2/m (12) / materials id 11691](https://mdr.nims.go.jp/datasets/675ef974-443c-4918-9e7d-36a1f57e4101) ## Fulltext ----------------------------- ------- calculate fc2 ------- ----------------------------- \_ \_ \_\_ \| \|\_\_ \_\_\_ \_ \_\_ \_\_\_ \_ \_\_ \_ \_ \| '\_ \\\| '\_ \\ / \_ \\\| '\_ \\ / \_ \\ \| '\_ \\\| \| \| \| \| \|\_) \| \| \| \| (\_) \| \| \| \| (\_) \|\| \|\_) \| \|\_\| \| \| .\_\_/\|\_\| \|\_\|\\\_\_\_/\|\_\| \|\_\|\\\_\_\_(\_) .\_\_/ \\\_\_, \| \|\_\| \|\_\| \|\_\_\_/ 2.47.1 -------------------------\[time 2026-01-07 23:55:19\]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy\_mlp\_eval\_fc2\_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: \[1 3 1\] Primitive matrix: \[ 0.5 0.5 -0. \] \[-0.5 0.5 0. \] \[0. 0. 1.\] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.904177686187732 -1.896003270000000 0.000000000000000 b 6.904177686187732 1.896003270000000 0.000000000000000 c -5.325998009905566 0.000000000000000 8.741697060023361 Atomic positions (fractional): \*1 O 0.20277269440499 0.20277269440499 0.05714376523920 15.999 2 O 0.79722730559501 0.79722730559501 0.94285623476080 15.999 \*3 O 0.03593663169037 0.03593663169037 0.27932495908606 15.999 4 O 0.96406336830963 0.96406336830963 0.72067504091394 15.999 \*5 O 0.41907192471209 0.41907192471209 0.34635884840967 15.999 6 O 0.58092807528791 0.58092807528791 0.65364115159033 15.999 \*7 O 0.23048858633848 0.23048858633848 0.61290025560931 15.999 8 O 0.76951141366152 0.76951141366152 0.38709974439069 15.999 \*9 Nd 0.61951303411838 0.61951303411838 0.45891891312221 144.242 10 Nd 0.38048696588162 0.38048696588162 0.54108108687779 144.242 \*11 Nd 0.83954017667762 0.83954017667762 0.20059665647318 144.242 12 Nd 0.16045982332238 0.16045982332238 0.79940334352682 144.242 \*13 Hg 0.11483700933076 0.11483700933076 0.16230084158337 200.590 14 Hg 0.88516299066924 0.88516299066924 0.83769915841663 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.808355372375464 0.000000000000000 0.000000000000000 b 0.000000000000000 3.792006540000000 0.000000000000000 c -5.325998009905566 0.000000000000000 8.741697060023361 Atomic positions (fractional): \*1 O 0.70277269440499 0.50000000000000 0.05714376523920 15.999 \> 1 2 O 0.29722730559501 0.50000000000000 0.94285623476080 15.999 \> 2 \*3 O 0.03593663169037 0.00000000000000 0.27932495908606 15.999 \> 3 4 O 0.96406336830963 0.00000000000000 0.72067504091394 15.999 \> 4 \*5 O 0.91907192471209 0.50000000000000 0.34635884840967 15.999 \> 5 6 O 0.08092807528791 0.50000000000000 0.65364115159033 15.999 \> 6 \*7 O 0.23048858633848 0.00000000000000 0.61290025560931 15.999 \> 7 8 O 0.76951141366152 0.00000000000000 0.38709974439069 15.999 \> 8 9 O 0.20277269440499 0.00000000000000 0.05714376523920 15.999 \> 1 10 O 0.79722730559501 0.00000000000000 0.94285623476080 15.999 \> 2 11 O 0.53593663169037 0.50000000000000 0.27932495908606 15.999 \> 3 12 O 0.46406336830963 0.50000000000000 0.72067504091394 15.999 \> 4 13 O 0.41907192471209 0.00000000000000 0.34635884840967 15.999 \> 5 14 O 0.58092807528791 0.00000000000000 0.65364115159033 15.999 \> 6 15 O 0.73048858633848 0.50000000000000 0.61290025560931 15.999 \> 7 16 O 0.26951141366152 0.50000000000000 0.38709974439069 15.999 \> 8 \*17 Nd 0.11951303411838 0.50000000000000 0.45891891312221 144.242 \> 9 18 Nd 0.88048696588162 0.50000000000000 0.54108108687779 144.242 \> 10 \*19 Nd 0.83954017667762 0.00000000000000 0.20059665647318 144.242 \> 11 20 Nd 0.16045982332238 0.00000000000000 0.79940334352682 144.242 \> 12 21 Nd 0.61951303411838 0.00000000000000 0.45891891312221 144.242 \> 9 22 Nd 0.38048696588162 0.00000000000000 0.54108108687779 144.242 \> 10 23 Nd 0.33954017667762 0.50000000000000 0.20059665647318 144.242 \> 11 24 Nd 0.66045982332238 0.50000000000000 0.79940334352682 144.242 \> 12 \*25 Hg 0.61483700933076 0.50000000000000 0.16230084158337 200.590 \> 13 26 Hg 0.38516299066924 0.50000000000000 0.83769915841663 200.590 \> 14 27 Hg 0.11483700933076 0.00000000000000 0.16230084158337 200.590 \> 13 28 Hg 0.88516299066924 0.00000000000000 0.83769915841663 200.590 \> 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.808355372375464 0.000000000000000 0.000000000000000 b 0.000000000000000 11.376019620000001 0.000000000000000 c -5.325998009905566 0.000000000000000 8.741697060023361 Atomic positions (fractional): \*1 O 0.70277269440499 0.16666666666667 0.05714376523920 15.999 \> 1 2 O 0.70277269440499 0.50000000000000 0.05714376523920 15.999 \> 1 3 O 0.70277269440499 0.83333333333333 0.05714376523920 15.999 \> 1 4 O 0.29722730559501 0.16666666666667 0.94285623476080 15.999 \> 2 5 O 0.29722730559501 0.50000000000000 0.94285623476080 15.999 \> 2 6 O 0.29722730559501 0.83333333333333 0.94285623476080 15.999 \> 2 \*7 O 0.03593663169037 0.00000000000000 0.27932495908606 15.999 \> 3 8 O 0.03593663169037 0.33333333333333 0.27932495908606 15.999 \> 3 9 O 0.03593663169037 0.66666666666667 0.27932495908606 15.999 \> 3 10 O 0.96406336830963 0.00000000000000 0.72067504091394 15.999 \> 4 11 O 0.96406336830963 0.33333333333333 0.72067504091394 15.999 \> 4 12 O 0.96406336830963 0.66666666666667 0.72067504091394 15.999 \> 4 \*13 O 0.91907192471209 0.16666666666667 0.34635884840967 15.999 \> 5 14 O 0.91907192471209 0.50000000000000 0.34635884840967 15.999 \> 5 15 O 0.91907192471209 0.83333333333333 0.34635884840967 15.999 \> 5 16 O 0.08092807528791 0.16666666666667 0.65364115159033 15.999 \> 6 17 O 0.08092807528791 0.50000000000000 0.65364115159033 15.999 \> 6 18 O 0.08092807528791 0.83333333333333 0.65364115159033 15.999 \> 6 \*19 O 0.23048858633848 0.00000000000000 0.61290025560931 15.999 \> 7 20 O 0.23048858633848 0.33333333333333 0.61290025560931 15.999 \> 7 21 O 0.23048858633848 0.66666666666667 0.61290025560931 15.999 \> 7 22 O 0.76951141366152 0.00000000000000 0.38709974439069 15.999 \> 8 23 O 0.76951141366152 0.33333333333333 0.38709974439069 15.999 \> 8 24 O 0.76951141366152 0.66666666666667 0.38709974439069 15.999 \> 8 25 O 0.20277269440499 0.00000000000000 0.05714376523920 15.999 \> 1 26 O 0.20277269440499 0.33333333333333 0.05714376523920 15.999 \> 1 27 O 0.20277269440499 0.66666666666667 0.05714376523920 15.999 \> 1 28 O 0.79722730559501 0.00000000000000 0.94285623476080 15.999 \> 2 29 O 0.79722730559501 0.33333333333333 0.94285623476080 15.999 \> 2 30 O 0.79722730559501 0.66666666666667 0.94285623476080 15.999 \> 2 31 O 0.53593663169037 0.16666666666667 0.27932495908606 15.999 \> 3 32 O 0.53593663169037 0.50000000000000 0.27932495908606 15.999 \> 3 33 O 0.53593663169037 0.83333333333333 0.27932495908606 15.999 \> 3 34 O 0.46406336830963 0.16666666666667 0.72067504091394 15.999 \> 4 35 O 0.46406336830963 0.50000000000000 0.72067504091394 15.999 \> 4 36 O 0.46406336830963 0.83333333333333 0.72067504091394 15.999 \> 4 37 O 0.41907192471209 0.00000000000000 0.34635884840967 15.999 \> 5 38 O 0.41907192471209 0.33333333333333 0.34635884840967 15.999 \> 5 39 O 0.41907192471209 0.66666666666667 0.34635884840967 15.999 \> 5 40 O 0.58092807528791 0.00000000000000 0.65364115159033 15.999 \> 6 41 O 0.58092807528791 0.33333333333333 0.65364115159033 15.999 \> 6 42 O 0.58092807528791 0.66666666666667 0.65364115159033 15.999 \> 6 43 O 0.73048858633848 0.16666666666667 0.61290025560931 15.999 \> 7 44 O 0.73048858633848 0.50000000000000 0.61290025560931 15.999 \> 7 45 O 0.73048858633848 0.83333333333333 0.61290025560931 15.999 \> 7 46 O 0.26951141366152 0.16666666666667 0.38709974439069 15.999 \> 8 47 O 0.26951141366152 0.50000000000000 0.38709974439069 15.999 \> 8 48 O 0.26951141366152 0.83333333333333 0.38709974439069 15.999 \> 8 \*49 Nd 0.11951303411838 0.16666666666667 0.45891891312221 144.242 \> 9 50 Nd 0.11951303411838 0.50000000000000 0.45891891312221 144.242 \> 9 51 Nd 0.11951303411838 0.83333333333333 0.45891891312221 144.242 \> 9 52 Nd 0.88048696588162 0.16666666666667 0.54108108687779 144.242 \> 10 53 Nd 0.88048696588162 0.50000000000000 0.54108108687779 144.242 \> 10 54 Nd 0.88048696588162 0.83333333333333 0.54108108687779 144.242 \> 10 \*55 Nd 0.83954017667762 0.00000000000000 0.20059665647318 144.242 \> 11 56 Nd 0.83954017667762 0.33333333333333 0.20059665647318 144.242 \> 11 57 Nd 0.83954017667762 0.66666666666667 0.20059665647318 144.242 \> 11 58 Nd 0.16045982332238 0.00000000000000 0.79940334352682 144.242 \> 12 59 Nd 0.16045982332238 0.33333333333333 0.79940334352682 144.242 \> 12 60 Nd 0.16045982332238 0.66666666666667 0.79940334352682 144.242 \> 12 61 Nd 0.61951303411838 0.00000000000000 0.45891891312221 144.242 \> 9 62 Nd 0.61951303411838 0.33333333333333 0.45891891312221 144.242 \> 9 63 Nd 0.61951303411838 0.66666666666667 0.45891891312221 144.242 \> 9 64 Nd 0.38048696588162 0.00000000000000 0.54108108687779 144.242 \> 10 65 Nd 0.38048696588162 0.33333333333333 0.54108108687779 144.242 \> 10 66 Nd 0.38048696588162 0.66666666666667 0.54108108687779 144.242 \> 10 67 Nd 0.33954017667762 0.16666666666667 0.20059665647318 144.242 \> 11 68 Nd 0.33954017667762 0.50000000000000 0.20059665647318 144.242 \> 11 69 Nd 0.33954017667762 0.83333333333333 0.20059665647318 144.242 \> 11 70 Nd 0.66045982332238 0.16666666666667 0.79940334352682 144.242 \> 12 71 Nd 0.66045982332238 0.50000000000000 0.79940334352682 144.242 \> 12 72 Nd 0.66045982332238 0.83333333333333 0.79940334352682 144.242 \> 12 \*73 Hg 0.61483700933076 0.16666666666667 0.16230084158337 200.590 \> 13 74 Hg 0.61483700933076 0.50000000000000 0.16230084158337 200.590 \> 13 75 Hg 0.61483700933076 0.83333333333333 0.16230084158337 200.590 \> 13 76 Hg 0.38516299066924 0.16666666666667 0.83769915841663 200.590 \> 14 77 Hg 0.38516299066924 0.50000000000000 0.83769915841663 200.590 \> 14 78 Hg 0.38516299066924 0.83333333333333 0.83769915841663 200.590 \> 14 79 Hg 0.11483700933076 0.00000000000000 0.16230084158337 200.590 \> 13 80 Hg 0.11483700933076 0.33333333333333 0.16230084158337 200.590 \> 13 81 Hg 0.11483700933076 0.66666666666667 0.16230084158337 200.590 \> 13 82 Hg 0.88516299066924 0.00000000000000 0.83769915841663 200.590 \> 14 83 Hg 0.88516299066924 0.33333333333333 0.83769915841663 200.590 \> 14 84 Hg 0.88516299066924 0.66666666666667 0.83769915841663 200.590 \> 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy\_mlp\_eval\_fc2\_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0603716 0.0000000 -0.2838681 0.0000000 4.5830763 0.0000000 -0.2838696 0.0000000 4.8395145 -------------------------- Born effective charges -------------------------- 1 O -2.3395838 0.0000000 0.5190038 0.0000000 -1.6063054 0.0000000 0.5703906 0.0000000 -2.4862368 2 O -2.3395838 0.0000000 0.5190038 0.0000000 -1.6063054 0.0000000 0.5703906 0.0000000 -2.4862368 3 O -2.6094074 0.0000000 0.2395624 0.0000000 -1.6888110 0.0000000 0.2541739 0.0000000 -2.0050321 4 O -2.6094074 0.0000000 0.2395624 0.0000000 -1.6888110 0.0000000 0.2541739 0.0000000 -2.0050321 5 O -2.7394188 0.0000000 0.0587090 0.0000000 -2.7528408 0.0000000 -0.0416123 0.0000000 -2.3892856 6 O -2.7394188 0.0000000 0.0587090 0.0000000 -2.7528408 0.0000000 -0.0416123 0.0000000 -2.3892856 7 O -2.5542427 0.0000000 0.1768333 0.0000000 -2.7976876 0.0000000 0.1307291 0.0000000 -2.5259305 8 O -2.5542427 0.0000000 0.1768333 0.0000000 -2.7976876 0.0000000 0.1307291 0.0000000 -2.5259305 9 Nd 3.9252765 0.0000000 -0.3412653 0.0000000 3.8131501 0.0000000 0.0549789 0.0000000 3.9098523 10 Nd 3.9252765 0.0000000 -0.3412653 0.0000000 3.8131501 0.0000000 0.0549789 0.0000000 3.9098523 11 Nd 4.0018222 0.0000000 0.0068991 0.0000000 4.2395100 0.0000000 -0.2574287 0.0000000 3.8746675 12 Nd 4.0018222 0.0000000 0.0068991 0.0000000 4.2395100 0.0000000 -0.2574287 0.0000000 3.8746675 13 Hg 2.3155540 0.0000000 -0.6597424 0.0000000 0.7929848 0.0000000 -0.7112315 0.0000000 1.6219652 14 Hg 2.3155540 0.0000000 -0.6597424 0.0000000 0.7929848 0.0000000 -0.7112315 0.0000000 1.6219652 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy\_mlp\_eval\_fc2\_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing \[2\] order force constants. Permutation basis: 252/252 Permutation basis: 6531/6531 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected\_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected\_components. Number of blocks in projector (Sum rule): 6 --- Eigsh\_solver\_block: 1 / 6 --- Block\_size: 392 Use standard eigh solver. --- Eigsh\_solver\_block: 2 / 6 --- Block\_size: 224 Use standard eigh solver. --- Eigsh\_solver\_block: 3 / 6 --- Block\_size: 224 Use standard eigh solver. --- Eigsh\_solver\_block: 4 / 6 --- Block\_size: 224 Use standard eigh solver. --- Eigsh\_solver\_block: 5 / 6 --- Block\_size: 196 Use standard eigh solver. --- Eigsh\_solver\_block: 6 / 6 --- Block\_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1422), data: False \|-- (196, 196), data: True \|-- (196, 196), data: True \|-- (224, 217), data: True \|-- (224, 217), data: True \|-- (224, 217), data: True \|-- (392, 379), data: True ----- Solver\_atoms: 1 -- 84 / 84 Time (Solver\_compr\_matrix\_reshape): 0.002 Solver\_block: 100 / 480 - Time: 1.428 Solver\_block: 200 / 480 - Time: 1.431 Solver\_block: 300 / 480 - Time: 1.427 Solver\_block: 400 / 480 - Time: 1.426 Solver\_block: 480 / 480 - Time: 1.178 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.922 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 252/252 Permutation basis: 6531/6531 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected\_components. Rank of projector: 1456 Number of blocks in projector: 1456 Finding block diagonal structure in projector. Using scipy connected\_components. Number of blocks in projector (Sum rule): 6 --- Eigsh\_solver\_block: 1 / 6 --- Block\_size: 392 Use standard eigh solver. --- Eigsh\_solver\_block: 2 / 6 --- Block\_size: 224 Use standard eigh solver. --- Eigsh\_solver\_block: 3 / 6 --- Block\_size: 224 Use standard eigh solver. --- Eigsh\_solver\_block: 4 / 6 --- Block\_size: 224 Use standard eigh solver. --- Eigsh\_solver\_block: 5 / 6 --- Block\_size: 196 Use standard eigh solver. --- Eigsh\_solver\_block: 6 / 6 --- Block\_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1422), data: False \|-- (196, 196), data: True \|-- (196, 196), data: True \|-- (224, 217), data: True \|-- (224, 217), data: True \|-- (224, 217), data: True \|-- (392, 379), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force\_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE\_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------\[time 2026-01-07 23:55:41\]------------------------- \_ \_\_\_ \_ \_\_ \_\_\| \| / \_ \\ '\_ \\ / \_\` \| \| \_\_/ \| \| \| (\_\| \| \\\_\_\_\|\_\| \|\_\|\\\_\_,\_\| ---------------------------- ------ calculate fc3 ------- ---------------------------- \_ \_\_\_\_\_ \_ \_\_ \| \|\_\_ \_\_\_ \_ \_\_ \_\_\_\|\_\_\_ / \_ \_\_ \_ \_ \| '\_ \\\| '\_ \\ / \_ \\\| '\_ \\ / \_ \\ \|\_ \\\| '\_ \\\| \| \| \| \| \|\_) \| \| \| \| (\_) \| \| \| \| (\_) \|\_\_) \| \|\_) \| \|\_\| \| \| .\_\_/\|\_\| \|\_\|\\\_\_\_/\|\_\| \|\_\|\\\_\_\_/\_\_\_\_/\| .\_\_/ \\\_\_, \| \|\_\| \|\_\| \|\_\_\_/ 3.23.0 -------------------------\[time 2026-01-07 23:55:42\]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py\_mlp\_eval\_fc3\_disp.yaml.xz". Supercell (dim): \[1 3 1\] Primitive matrix: \[ 0.5 0.5 -0. \] \[-0.5 0.5 0. \] \[0. 0. 1.\] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.904177686187732 -1.896003270000000 0.000000000000000 b 6.904177686187732 1.896003270000000 0.000000000000000 c -5.325998009905566 0.000000000000000 8.741697060023361 Atomic positions (fractional): 1 O 0.20277269440499 0.20277269440499 0.05714376523920 15.999 2 O 0.79722730559501 0.79722730559501 0.94285623476080 15.999 3 O 0.03593663169037 0.03593663169037 0.27932495908606 15.999 4 O 0.96406336830963 0.96406336830963 0.72067504091394 15.999 5 O 0.41907192471209 0.41907192471209 0.34635884840967 15.999 6 O 0.58092807528791 0.58092807528791 0.65364115159033 15.999 7 O 0.23048858633848 0.23048858633848 0.61290025560931 15.999 8 O 0.76951141366152 0.76951141366152 0.38709974439069 15.999 9 Nd 0.61951303411838 0.61951303411838 0.45891891312221 144.242 10 Nd 0.38048696588162 0.38048696588162 0.54108108687779 144.242 11 Nd 0.83954017667762 0.83954017667762 0.20059665647318 144.242 12 Nd 0.16045982332238 0.16045982332238 0.79940334352682 144.242 13 Hg 0.11483700933076 0.11483700933076 0.16230084158337 200.590 14 Hg 0.88516299066924 0.88516299066924 0.83769915841663 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.808355372375464 0.000000000000000 0.000000000000000 b 0.000000000000000 11.376019620000001 0.000000000000000 c -5.325998009905566 0.000000000000000 8.741697060023361 Atomic positions (fractional): 1 O 0.70277269440499 0.16666666666667 0.05714376523920 15.999 \> 1 2 O 0.70277269440499 0.50000000000000 0.05714376523920 15.999 \> 1 3 O 0.70277269440499 0.83333333333333 0.05714376523920 15.999 \> 1 4 O 0.29722730559501 0.16666666666667 0.94285623476080 15.999 \> 4 5 O 0.29722730559501 0.50000000000000 0.94285623476080 15.999 \> 4 6 O 0.29722730559501 0.83333333333333 0.94285623476080 15.999 \> 4 7 O 0.03593663169037 0.00000000000000 0.27932495908606 15.999 \> 7 8 O 0.03593663169037 0.33333333333333 0.27932495908606 15.999 \> 7 9 O 0.03593663169037 0.66666666666667 0.27932495908606 15.999 \> 7 10 O 0.96406336830963 0.00000000000000 0.72067504091394 15.999 \> 10 11 O 0.96406336830963 0.33333333333333 0.72067504091394 15.999 \> 10 12 O 0.96406336830963 0.66666666666667 0.72067504091394 15.999 \> 10 13 O 0.91907192471209 0.16666666666667 0.34635884840967 15.999 \> 13 14 O 0.91907192471209 0.50000000000000 0.34635884840967 15.999 \> 13 15 O 0.91907192471209 0.83333333333333 0.34635884840967 15.999 \> 13 16 O 0.08092807528791 0.16666666666667 0.65364115159033 15.999 \> 16 17 O 0.08092807528791 0.50000000000000 0.65364115159033 15.999 \> 16 18 O 0.08092807528791 0.83333333333333 0.65364115159033 15.999 \> 16 19 O 0.23048858633848 0.00000000000000 0.61290025560931 15.999 \> 19 20 O 0.23048858633848 0.33333333333333 0.61290025560931 15.999 \> 19 21 O 0.23048858633848 0.66666666666667 0.61290025560931 15.999 \> 19 22 O 0.76951141366152 0.00000000000000 0.38709974439069 15.999 \> 22 23 O 0.76951141366152 0.33333333333333 0.38709974439069 15.999 \> 22 24 O 0.76951141366152 0.66666666666667 0.38709974439069 15.999 \> 22 25 O 0.20277269440499 0.00000000000000 0.05714376523920 15.999 \> 1 26 O 0.20277269440499 0.33333333333333 0.05714376523920 15.999 \> 1 27 O 0.20277269440499 0.66666666666667 0.05714376523920 15.999 \> 1 28 O 0.79722730559501 0.00000000000000 0.94285623476080 15.999 \> 4 29 O 0.79722730559501 0.33333333333333 0.94285623476080 15.999 \> 4 30 O 0.79722730559501 0.66666666666667 0.94285623476080 15.999 \> 4 31 O 0.53593663169037 0.16666666666667 0.27932495908606 15.999 \> 7 32 O 0.53593663169037 0.50000000000000 0.27932495908606 15.999 \> 7 33 O 0.53593663169037 0.83333333333333 0.27932495908606 15.999 \> 7 34 O 0.46406336830963 0.16666666666667 0.72067504091394 15.999 \> 10 35 O 0.46406336830963 0.50000000000000 0.72067504091394 15.999 \> 10 36 O 0.46406336830963 0.83333333333333 0.72067504091394 15.999 \> 10 37 O 0.41907192471209 0.00000000000000 0.34635884840967 15.999 \> 13 38 O 0.41907192471209 0.33333333333333 0.34635884840967 15.999 \> 13 39 O 0.41907192471209 0.66666666666667 0.34635884840967 15.999 \> 13 40 O 0.58092807528791 0.00000000000000 0.65364115159033 15.999 \> 16 41 O 0.58092807528791 0.33333333333333 0.65364115159033 15.999 \> 16 42 O 0.58092807528791 0.66666666666667 0.65364115159033 15.999 \> 16 43 O 0.73048858633848 0.16666666666667 0.61290025560931 15.999 \> 19 44 O 0.73048858633848 0.50000000000000 0.61290025560931 15.999 \> 19 45 O 0.73048858633848 0.83333333333333 0.61290025560931 15.999 \> 19 46 O 0.26951141366152 0.16666666666667 0.38709974439069 15.999 \> 22 47 O 0.26951141366152 0.50000000000000 0.38709974439069 15.999 \> 22 48 O 0.26951141366152 0.83333333333333 0.38709974439069 15.999 \> 22 49 Nd 0.11951303411838 0.16666666666667 0.45891891312221 144.242 \> 49 50 Nd 0.11951303411838 0.50000000000000 0.45891891312221 144.242 \> 49 51 Nd 0.11951303411838 0.83333333333333 0.45891891312221 144.242 \> 49 52 Nd 0.88048696588162 0.16666666666667 0.54108108687779 144.242 \> 52 53 Nd 0.88048696588162 0.50000000000000 0.54108108687779 144.242 \> 52 54 Nd 0.88048696588162 0.83333333333333 0.54108108687779 144.242 \> 52 55 Nd 0.83954017667762 0.00000000000000 0.20059665647318 144.242 \> 55 56 Nd 0.83954017667762 0.33333333333333 0.20059665647318 144.242 \> 55 57 Nd 0.83954017667762 0.66666666666667 0.20059665647318 144.242 \> 55 58 Nd 0.16045982332238 0.00000000000000 0.79940334352682 144.242 \> 58 59 Nd 0.16045982332238 0.33333333333333 0.79940334352682 144.242 \> 58 60 Nd 0.16045982332238 0.66666666666667 0.79940334352682 144.242 \> 58 61 Nd 0.61951303411838 0.00000000000000 0.45891891312221 144.242 \> 49 62 Nd 0.61951303411838 0.33333333333333 0.45891891312221 144.242 \> 49 63 Nd 0.61951303411838 0.66666666666667 0.45891891312221 144.242 \> 49 64 Nd 0.38048696588162 0.00000000000000 0.54108108687779 144.242 \> 52 65 Nd 0.38048696588162 0.33333333333333 0.54108108687779 144.242 \> 52 66 Nd 0.38048696588162 0.66666666666667 0.54108108687779 144.242 \> 52 67 Nd 0.33954017667762 0.16666666666667 0.20059665647318 144.242 \> 55 68 Nd 0.33954017667762 0.50000000000000 0.20059665647318 144.242 \> 55 69 Nd 0.33954017667762 0.83333333333333 0.20059665647318 144.242 \> 55 70 Nd 0.66045982332238 0.16666666666667 0.79940334352682 144.242 \> 58 71 Nd 0.66045982332238 0.50000000000000 0.79940334352682 144.242 \> 58 72 Nd 0.66045982332238 0.83333333333333 0.79940334352682 144.242 \> 58 73 Hg 0.61483700933076 0.16666666666667 0.16230084158337 200.590 \> 73 74 Hg 0.61483700933076 0.50000000000000 0.16230084158337 200.590 \> 73 75 Hg 0.61483700933076 0.83333333333333 0.16230084158337 200.590 \> 73 76 Hg 0.38516299066924 0.16666666666667 0.83769915841663 200.590 \> 76 77 Hg 0.38516299066924 0.50000000000000 0.83769915841663 200.590 \> 76 78 Hg 0.38516299066924 0.83333333333333 0.83769915841663 200.590 \> 76 79 Hg 0.11483700933076 0.00000000000000 0.16230084158337 200.590 \> 73 80 Hg 0.11483700933076 0.33333333333333 0.16230084158337 200.590 \> 73 81 Hg 0.11483700933076 0.66666666666667 0.16230084158337 200.590 \> 73 82 Hg 0.88516299066924 0.00000000000000 0.83769915841663 200.590 \> 76 83 Hg 0.88516299066924 0.33333333333333 0.83769915841663 200.590 \> 76 84 Hg 0.88516299066924 0.66666666666667 0.83769915841663 200.590 \> 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py\_mlp\_eval\_fc3\_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.0603716 0.0000000 -0.2838681 0.0000000 4.5830763 0.0000000 -0.2838696 0.0000000 4.8395145 -------------------------- Born effective charges -------------------------- 1 O -2.3395838 0.0000000 0.5190038 0.0000000 -1.6063054 0.0000000 0.5703906 0.0000000 -2.4862368 2 O -2.3395838 0.0000000 0.5190038 0.0000000 -1.6063054 0.0000000 0.5703906 0.0000000 -2.4862368 3 O -2.6094074 0.0000000 0.2395624 0.0000000 -1.6888110 0.0000000 0.2541739 0.0000000 -2.0050321 4 O -2.6094074 0.0000000 0.2395624 0.0000000 -1.6888110 0.0000000 0.2541739 0.0000000 -2.0050321 5 O -2.7394188 0.0000000 0.0587090 0.0000000 -2.7528408 0.0000000 -0.0416123 0.0000000 -2.3892856 6 O -2.7394188 0.0000000 0.0587090 0.0000000 -2.7528408 0.0000000 -0.0416123 0.0000000 -2.3892856 7 O -2.5542427 0.0000000 0.1768333 0.0000000 -2.7976876 0.0000000 0.1307291 0.0000000 -2.5259305 8 O -2.5542427 0.0000000 0.1768333 0.0000000 -2.7976876 0.0000000 0.1307291 0.0000000 -2.5259305 9 Nd 3.9252765 0.0000000 -0.3412653 0.0000000 3.8131501 0.0000000 0.0549789 0.0000000 3.9098523 10 Nd 3.9252765 0.0000000 -0.3412653 0.0000000 3.8131501 0.0000000 0.0549789 0.0000000 3.9098523 11 Nd 4.0018222 0.0000000 0.0068991 0.0000000 4.2395100 0.0000000 -0.2574287 0.0000000 3.8746675 12 Nd 4.0018222 0.0000000 0.0068991 0.0000000 4.2395100 0.0000000 -0.2574287 0.0000000 3.8746675 13 Hg 2.3155540 0.0000000 -0.6597424 0.0000000 0.7929848 0.0000000 -0.7112315 0.0000000 1.6219652 14 Hg 2.3155540 0.0000000 -0.6597424 0.0000000 0.7929848 0.0000000 -0.7112315 0.0000000 1.6219652 ---------------------------------------------------------------------------- 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): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0052 0.0000 0.0085\] \[ 0.0052 0.0000 -0.0085\] Computing fc3\[ 7, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0052 0.0000 0.0085\] \[ 0.0052 0.0000 -0.0085\] Computing fc3\[ 13, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0052 0.0000 0.0085\] \[ 0.0052 0.0000 -0.0085\] Computing fc3\[ 19, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0052 0.0000 0.0085\] \[ 0.0052 0.0000 -0.0085\] Computing fc3\[ 49, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0052 0.0000 0.0085\] \[ 0.0052 0.0000 -0.0085\] Computing fc3\[ 55, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0052 0.0000 0.0085\] \[ 0.0052 0.0000 -0.0085\] Computing fc3\[ 73, x, x \] using numpy.linalg.pinv. Displacements (in Angstrom): \[ 0.0100 0.0000 0.0000\] \[-0.0100 0.0000 0.0000\] \[ 0.0000 0.0100 0.0000\] \[ 0.0000 -0.0100 0.0000\] \[-0.0052 0.0000 0.0085\] \[ 0.0052 0.0000 -0.0085\] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------\[time 2026-01-07 23:55:56\]------------------------- \_ \_\_\_ \_ \_\_ \_\_\| \| / \_ \\ '\_ \\ / \_\` \| \| \_\_/ \| \| \| (\_\| \| \\\_\_\_\|\_\| \|\_\|\\\_\_,\_\| ---------------------------- ------ calculate LTC ------- ---------------------------- \_ \_\_\_\_\_ \_ \_\_ \| \|\_\_ \_\_\_ \_ \_\_ \_\_\_\|\_\_\_ / \_ \_\_ \_ \_ \| '\_ \\\| '\_ \\ / \_ \\\| '\_ \\ / \_ \\ \|\_ \\\| '\_ \\\| \| \| \| \| \|\_) \| \| \| \| (\_) \| \| \| \| (\_) \|\_\_) \| \|\_) \| \|\_\| \| \| .\_\_/\|\_\| \|\_\|\\\_\_\_/\|\_\| \|\_\|\\\_\_\_/\_\_\_\_/\| .\_\_/ \\\_\_, \| \|\_\| \|\_\| \|\_\_\_/ 3.23.0 -------------------------\[time 2026-01-07 23:55:56\]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): \[1 3 1\] Primitive matrix: \[ 0.5 0.5 -0. \] \[-0.5 0.5 0. \] \[0. 0. 1.\] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.904177686187732 -1.896003270000000 0.000000000000000 b 6.904177686187732 1.896003270000000 0.000000000000000 c -5.325998009905566 0.000000000000000 8.741697060023361 Atomic positions (fractional): 1 O 0.20277269440499 0.20277269440499 0.05714376523920 15.999 2 O 0.79722730559501 0.79722730559501 0.94285623476080 15.999 3 O 0.03593663169037 0.03593663169037 0.27932495908606 15.999 4 O 0.96406336830963 0.96406336830963 0.72067504091394 15.999 5 O 0.41907192471209 0.41907192471209 0.34635884840967 15.999 6 O 0.58092807528791 0.58092807528791 0.65364115159033 15.999 7 O 0.23048858633848 0.23048858633848 0.61290025560931 15.999 8 O 0.76951141366152 0.76951141366152 0.38709974439069 15.999 9 Nd 0.61951303411838 0.61951303411838 0.45891891312221 144.242 10 Nd 0.38048696588162 0.38048696588162 0.54108108687779 144.242 11 Nd 0.83954017667762 0.83954017667762 0.20059665647318 144.242 12 Nd 0.16045982332238 0.16045982332238 0.79940334352682 144.242 13 Hg 0.11483700933076 0.11483700933076 0.16230084158337 200.590 14 Hg 0.88516299066924 0.88516299066924 0.83769915841663 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.808355372375464 0.000000000000000 0.000000000000000 b 0.000000000000000 11.376019620000001 0.000000000000000 c -5.325998009905566 0.000000000000000 8.741697060023361 Atomic positions (fractional): 1 O 0.70277269440499 0.16666666666667 0.05714376523920 15.999 \> 1 2 O 0.70277269440499 0.50000000000000 0.05714376523920 15.999 \> 1 3 O 0.70277269440499 0.83333333333333 0.05714376523920 15.999 \> 1 4 O 0.29722730559501 0.16666666666667 0.94285623476080 15.999 \> 4 5 O 0.29722730559501 0.50000000000000 0.94285623476080 15.999 \> 4 6 O 0.29722730559501 0.83333333333333 0.94285623476080 15.999 \> 4 7 O 0.03593663169037 0.00000000000000 0.27932495908606 15.999 \> 7 8 O 0.03593663169037 0.33333333333333 0.27932495908606 15.999 \> 7 9 O 0.03593663169037 0.66666666666667 0.27932495908606 15.999 \> 7 10 O 0.96406336830963 0.00000000000000 0.72067504091394 15.999 \> 10 11 O 0.96406336830963 0.33333333333333 0.72067504091394 15.999 \> 10 12 O 0.96406336830963 0.66666666666667 0.72067504091394 15.999 \> 10 13 O 0.91907192471209 0.16666666666667 0.34635884840967 15.999 \> 13 14 O 0.91907192471209 0.50000000000000 0.34635884840967 15.999 \> 13 15 O 0.91907192471209 0.83333333333333 0.34635884840967 15.999 \> 13 16 O 0.08092807528791 0.16666666666667 0.65364115159033 15.999 \> 16 17 O 0.08092807528791 0.50000000000000 0.65364115159033 15.999 \> 16 18 O 0.08092807528791 0.83333333333333 0.65364115159033 15.999 \> 16 19 O 0.23048858633848 0.00000000000000 0.61290025560931 15.999 \> 19 20 O 0.23048858633848 0.33333333333333 0.61290025560931 15.999 \> 19 21 O 0.23048858633848 0.66666666666667 0.61290025560931 15.999 \> 19 22 O 0.76951141366152 0.00000000000000 0.38709974439069 15.999 \> 22 23 O 0.76951141366152 0.33333333333333 0.38709974439069 15.999 \> 22 24 O 0.76951141366152 0.66666666666667 0.38709974439069 15.999 \> 22 25 O 0.20277269440499 0.00000000000000 0.05714376523920 15.999 \> 1 26 O 0.20277269440499 0.33333333333333 0.05714376523920 15.999 \> 1 27 O 0.20277269440499 0.66666666666667 0.05714376523920 15.999 \> 1 28 O 0.79722730559501 0.00000000000000 0.94285623476080 15.999 \> 4 29 O 0.79722730559501 0.33333333333333 0.94285623476080 15.999 \> 4 30 O 0.79722730559501 0.66666666666667 0.94285623476080 15.999 \> 4 31 O 0.53593663169037 0.16666666666667 0.27932495908606 15.999 \> 7 32 O 0.53593663169037 0.50000000000000 0.27932495908606 15.999 \> 7 33 O 0.53593663169037 0.83333333333333 0.27932495908606 15.999 \> 7 34 O 0.46406336830963 0.16666666666667 0.72067504091394 15.999 \> 10 35 O 0.46406336830963 0.50000000000000 0.72067504091394 15.999 \> 10 36 O 0.46406336830963 0.83333333333333 0.72067504091394 15.999 \> 10 37 O 0.41907192471209 0.00000000000000 0.34635884840967 15.999 \> 13 38 O 0.41907192471209 0.33333333333333 0.34635884840967 15.999 \> 13 39 O 0.41907192471209 0.66666666666667 0.34635884840967 15.999 \> 13 40 O 0.58092807528791 0.00000000000000 0.65364115159033 15.999 \> 16 41 O 0.58092807528791 0.33333333333333 0.65364115159033 15.999 \> 16 42 O 0.58092807528791 0.66666666666667 0.65364115159033 15.999 \> 16 43 O 0.73048858633848 0.16666666666667 0.61290025560931 15.999 \> 19 44 O 0.73048858633848 0.50000000000000 0.61290025560931 15.999 \> 19 45 O 0.73048858633848 0.83333333333333 0.61290025560931 15.999 \> 19 46 O 0.26951141366152 0.16666666666667 0.38709974439069 15.999 \> 22 47 O 0.26951141366152 0.50000000000000 0.38709974439069 15.999 \> 22 48 O 0.26951141366152 0.83333333333333 0.38709974439069 15.999 \> 22 49 Nd 0.11951303411838 0.16666666666667 0.45891891312221 144.242 \> 49 50 Nd 0.11951303411838 0.50000000000000 0.45891891312221 144.242 \> 49 51 Nd 0.11951303411838 0.83333333333333 0.45891891312221 144.242 \> 49 52 Nd 0.88048696588162 0.16666666666667 0.54108108687779 144.242 \> 52 53 Nd 0.88048696588162 0.50000000000000 0.54108108687779 144.242 \> 52 54 Nd 0.88048696588162 0.83333333333333 0.54108108687779 144.242 \> 52 55 Nd 0.83954017667762 0.00000000000000 0.20059665647318 144.242 \> 55 56 Nd 0.83954017667762 0.33333333333333 0.20059665647318 144.242 \> 55 57 Nd 0.83954017667762 0.66666666666667 0.20059665647318 144.242 \> 55 58 Nd 0.16045982332238 0.00000000000000 0.79940334352682 144.242 \> 58 59 Nd 0.16045982332238 0.33333333333333 0.79940334352682 144.242 \> 58 60 Nd 0.16045982332238 0.66666666666667 0.79940334352682 144.242 \> 58 61 Nd 0.61951303411838 0.00000000000000 0.45891891312221 144.242 \> 49 62 Nd 0.61951303411838 0.33333333333333 0.45891891312221 144.242 \> 49 63 Nd 0.61951303411838 0.66666666666667 0.45891891312221 144.242 \> 49 64 Nd 0.38048696588162 0.00000000000000 0.54108108687779 144.242 \> 52 65 Nd 0.38048696588162 0.33333333333333 0.54108108687779 144.242 \> 52 66 Nd 0.38048696588162 0.66666666666667 0.54108108687779 144.242 \> 52 67 Nd 0.33954017667762 0.16666666666667 0.20059665647318 144.242 \> 55 68 Nd 0.33954017667762 0.50000000000000 0.20059665647318 144.242 \> 55 69 Nd 0.33954017667762 0.83333333333333 0.20059665647318 144.242 \> 55 70 Nd 0.66045982332238 0.16666666666667 0.79940334352682 144.242 \> 58 71 Nd 0.66045982332238 0.50000000000000 0.79940334352682 144.242 \> 58 72 Nd 0.66045982332238 0.83333333333333 0.79940334352682 144.242 \> 58 73 Hg 0.61483700933076 0.16666666666667 0.16230084158337 200.590 \> 73 74 Hg 0.61483700933076 0.50000000000000 0.16230084158337 200.590 \> 73 75 Hg 0.61483700933076 0.83333333333333 0.16230084158337 200.590 \> 73 76 Hg 0.38516299066924 0.16666666666667 0.83769915841663 200.590 \> 76 77 Hg 0.38516299066924 0.50000000000000 0.83769915841663 200.590 \> 76 78 Hg 0.38516299066924 0.83333333333333 0.83769915841663 200.590 \> 76 79 Hg 0.11483700933076 0.00000000000000 0.16230084158337 200.590 \> 73 80 Hg 0.11483700933076 0.33333333333333 0.16230084158337 200.590 \> 73 81 Hg 0.11483700933076 0.66666666666667 0.16230084158337 200.590 \> 73 82 Hg 0.88516299066924 0.00000000000000 0.83769915841663 200.590 \> 76 83 Hg 0.88516299066924 0.33333333333333 0.83769915841663 200.590 \> 76 84 Hg 0.88516299066924 0.66666666666667 0.83769915841663 200.590 \> 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.0603716 0.0000000 -0.2838681 0.0000000 4.5830763 0.0000000 -0.2838696 0.0000000 4.8395145 -------------------------- Born effective charges -------------------------- 1 O -2.3395838 0.0000000 0.5190038 0.0000000 -1.6063054 0.0000000 0.5703906 0.0000000 -2.4862368 2 O -2.3395838 0.0000000 0.5190038 0.0000000 -1.6063054 0.0000000 0.5703906 0.0000000 -2.4862368 3 O -2.6094074 0.0000000 0.2395624 0.0000000 -1.6888110 0.0000000 0.2541739 0.0000000 -2.0050321 4 O -2.6094074 0.0000000 0.2395624 0.0000000 -1.6888110 0.0000000 0.2541739 0.0000000 -2.0050321 5 O -2.7394188 0.0000000 0.0587090 0.0000000 -2.7528408 0.0000000 -0.0416123 0.0000000 -2.3892856 6 O -2.7394188 0.0000000 0.0587090 0.0000000 -2.7528408 0.0000000 -0.0416123 0.0000000 -2.3892856 7 O -2.5542427 0.0000000 0.1768333 0.0000000 -2.7976876 0.0000000 0.1307291 0.0000000 -2.5259305 8 O -2.5542427 0.0000000 0.1768333 0.0000000 -2.7976876 0.0000000 0.1307291 0.0000000 -2.5259305 9 Nd 3.9252765 0.0000000 -0.3412653 0.0000000 3.8131501 0.0000000 0.0549789 0.0000000 3.9098523 10 Nd 3.9252765 0.0000000 -0.3412653 0.0000000 3.8131501 0.0000000 0.0549789 0.0000000 3.9098523 11 Nd 4.0018222 0.0000000 0.0068991 0.0000000 4.2395100 0.0000000 -0.2574287 0.0000000 3.8746675 12 Nd 4.0018222 0.0000000 0.0068991 0.0000000 4.2395100 0.0000000 -0.2574287 0.0000000 3.8746675 13 Hg 2.3155540 0.0000000 -0.6597424 0.0000000 0.7929848 0.0000000 -0.7112315 0.0000000 1.6219652 14 Hg 2.3155540 0.0000000 -0.6597424 0.0000000 0.7929848 0.0000000 -0.7112315 0.0000000 1.6219652 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... \[ 14 14 6 \] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.68, Number of G-points: 297, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/324) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.608 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.257 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 4.720 ( 0.000 0.000 0.000) 0.000 4.800 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.257 ( 0.000 0.000 0.000) 0.000 5.753 ( 0.000 0.000 0.000) 0.000 6.218 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.716 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.199 ( 0.000 0.000 0.000) 0.000 8.580 ( 0.000 0.000 0.000) 0.000 9.093 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.332 ( 0.000 0.000 0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.706 ( 0.000 0.000 0.000) 0.000 10.981 ( 0.000 0.000 0.000) 0.000 11.730 ( 0.000 0.000 0.000) 0.000 12.170 ( 0.000 0.000 0.000) 0.000 12.354 ( 0.000 0.000 0.000) 0.000 12.617 ( 0.000 0.000 0.000) 0.000 14.056 ( 0.000 0.000 0.000) 0.000 14.278 ( 0.000 0.000 0.000) 0.000 15.930 ( 0.000 0.000 0.000) 0.000 17.852 ( 0.000 0.000 0.000) 0.000 18.816 ( 0.000 0.000 0.000) 0.000 19.226 ( 0.000 0.000 0.000) 0.000 19.626 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/324) ======================= q-point: ( 0.07 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.413 ( 8.189 -18.052 9.164) 21.839 0.491 ( 1.443 -24.569 1.960) 24.689 0.839 ( 15.758 -36.191 0.879) 39.483 1.632 ( 0.534 -2.043 -0.127) 2.116 1.868 ( -0.681 0.201 -3.341) 3.416 2.114 ( 1.943 -1.463 1.554) 2.886 2.197 ( 2.321 -10.186 1.851) 10.610 2.531 ( 1.529 -1.976 1.010) 2.695 3.014 ( -1.589 -11.574 -2.742) 12.000 3.098 ( -5.553 -1.383 -0.586) 5.753 3.295 ( -3.457 -4.110 0.740) 5.422 3.432 ( -0.349 -5.541 2.690) 6.169 3.469 ( 5.007 -8.413 0.966) 9.838 4.697 ( -6.065 -3.076 -13.440) 15.062 4.851 ( 5.601 -1.360 5.589) 8.029 5.003 ( -1.385 3.995 -6.741) 7.958 5.267 ( 2.291 1.649 10.962) 11.320 5.725 ( -1.701 2.110 -1.617) 3.156 6.389 ( -0.668 -6.660 -1.665) 6.898 7.070 ( -0.619 -4.070 0.399) 4.136 7.612 ( 0.286 -2.132 -2.004) 2.940 7.793 ( 3.307 -6.172 -1.978) 7.276 8.087 ( 0.252 10.051 1.958) 10.243 8.620 ( -2.034 -4.179 -2.969) 5.515 9.023 ( -7.883 -0.906 -18.529) 20.156 9.113 ( -12.831 3.351 4.082) 13.875 9.270 ( 8.710 3.794 -0.686) 9.525 9.545 ( -2.583 -3.102 0.609) 4.082 9.692 ( 4.250 -0.630 4.859) 6.487 10.934 ( -5.841 2.615 5.784) 8.626 11.246 ( 14.021 16.052 11.625) 24.278 11.811 ( -1.039 -5.402 3.293) 6.411 12.169 ( -0.232 -0.007 -0.602) 0.645 12.305 ( 1.590 4.940 0.916) 5.270 14.029 ( 1.511 0.913 -10.275) 10.425 14.251 ( -28.476 -7.412 17.657) 34.316 14.977 ( -14.923 -3.401 -2.267) 15.473 15.885 ( -0.660 4.578 0.255) 4.632 17.852 ( 5.007 1.440 -3.447) 6.247 18.813 ( -0.765 0.361 1.299) 1.550 19.260 ( 22.297 5.469 -18.600) 29.547 19.626 ( 10.235 3.001 0.869) 10.701 ======================= Grid point 2 (3/324) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.812 ( 8.195 -16.637 7.040) 19.837 0.940 ( -1.107 -21.786 3.561) 22.103 1.431 ( 12.656 -17.057 -2.566) 21.394 1.674 ( 0.891 -1.870 -0.265) 2.088 1.876 ( 0.026 -2.789 -3.016) 4.108 2.184 ( 2.598 -4.440 1.421) 5.337 2.551 ( 6.628 -24.700 2.073) 25.658 2.601 ( 2.349 -3.894 2.060) 4.993 3.105 ( -8.238 -3.857 -0.264) 9.100 3.252 ( -2.179 -13.177 -5.990) 14.638 3.364 ( -0.294 -4.850 1.015) 4.964 3.575 ( -5.435 -9.378 4.674) 11.804 3.726 ( 4.962 -14.121 3.117) 15.289 4.730 ( -5.220 -8.624 -13.502) 16.850 4.869 ( 1.507 4.217 -14.183) 14.873 4.938 ( -0.858 -1.690 10.477) 10.647 5.289 ( 3.144 1.349 13.352) 13.784 5.657 ( -2.284 2.670 -2.610) 4.377 6.537 ( 1.117 -8.797 -1.447) 8.985 7.172 ( -1.473 -6.817 0.842) 7.025 7.633 ( -2.600 -0.293 -6.765) 7.253 7.909 ( 5.138 5.455 4.839) 8.920 7.970 ( 0.421 -8.177 -1.084) 8.260 8.670 ( -5.169 -3.049 -0.431) 6.016 8.873 ( 5.457 13.890 1.566) 15.005 8.977 ( -9.991 -0.363 -11.529) 15.260 9.292 ( 7.931 1.082 6.009) 10.009 9.577 ( -5.985 -0.941 2.313) 6.484 9.711 ( 5.133 2.510 2.916) 6.415 10.832 ( 1.485 8.463 -0.324) 8.598 11.040 ( -0.518 11.187 4.421) 12.040 11.857 ( -12.800 -1.798 -1.300) 12.991 12.167 ( 2.008 0.056 -1.114) 2.297 12.241 ( 5.432 4.035 5.378) 8.643 13.945 ( -5.644 4.582 0.071) 7.270 14.337 ( -9.476 -7.922 4.017) 12.988 14.947 ( -3.987 0.271 -4.512) 6.027 15.756 ( -1.525 8.481 0.338) 8.623 17.839 ( 3.896 1.328 -1.817) 4.500 18.799 ( -2.472 0.890 2.161) 3.402 19.203 ( 3.431 2.658 -9.122) 10.102 19.620 ( 15.149 5.093 1.256) 16.031 ======================= Grid point 3 (4/324) ======================= q-point: ( 0.21 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.144 ( 7.153 -11.946 3.756) 14.421 1.310 ( -6.274 -16.832 7.848) 19.603 1.636 ( 7.954 -3.335 -5.281) 10.113 1.725 ( 5.821 -3.241 -2.560) 7.137 1.946 ( 0.634 -4.419 -1.625) 4.751 2.323 ( 2.694 -8.623 0.078) 9.034 2.708 ( 2.501 -5.202 3.153) 6.577 3.062 ( 2.610 -15.892 -2.292) 16.267 3.204 ( -0.639 -14.193 -4.371) 14.865 3.364 ( -0.212 -2.402 2.318) 3.345 3.546 ( -2.380 -15.880 -0.765) 16.075 3.733 ( -7.180 -8.673 4.567) 12.150 4.021 ( 3.677 -11.775 5.393) 13.463 4.725 ( 1.068 5.855 -6.025) 8.469 4.915 ( -3.807 -14.569 -7.648) 16.889 5.001 ( -1.334 -3.594 -0.367) 3.851 5.323 ( -0.283 0.199 7.724) 7.732 5.637 ( 0.161 -3.663 0.264) 3.676 6.702 ( 0.321 -8.626 -1.840) 8.826 7.304 ( -2.080 -7.360 1.577) 7.809 7.531 ( -3.758 4.601 -7.500) 9.568 7.933 ( 8.315 -2.012 6.423) 10.698 8.135 ( -2.425 -7.314 -2.653) 8.149 8.594 ( -0.497 9.597 5.436) 11.041 8.741 ( 1.433 1.509 0.201) 2.091 8.912 ( -3.861 -0.460 -13.114) 13.679 9.340 ( 7.212 0.085 7.872) 10.677 9.499 ( -6.830 6.338 1.802) 9.490 9.682 ( 3.285 3.957 3.772) 6.378 10.623 ( 4.022 13.478 -5.939) 15.268 10.864 ( -4.222 8.420 6.383) 11.378 11.762 ( -13.798 2.517 -2.645) 14.273 12.178 ( 4.163 1.759 1.761) 4.850 12.225 ( -0.146 0.922 4.321) 4.421 13.829 ( -4.961 3.727 -1.579) 6.403 14.452 ( -5.119 -6.946 1.407) 8.743 14.899 ( -0.280 2.190 -4.053) 4.616 15.561 ( -2.462 10.881 0.381) 11.163 17.836 ( 4.215 0.638 -1.369) 4.477 18.766 ( -4.906 1.341 2.289) 5.577 19.145 ( -0.732 1.754 -5.433) 5.756 19.600 ( 15.936 5.930 1.186) 17.045 ======================= Grid point 4 (5/324) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.353 ( 5.396 -6.251 1.229) 8.349 1.512 ( -9.544 -6.290 8.085) 14.001 1.681 ( 2.016 -0.481 -0.478) 2.127 1.892 ( 13.282 -10.685 -7.103) 18.467 2.019 ( 1.283 -3.239 -1.169) 3.675 2.535 ( 1.691 -12.716 -1.816) 12.956 2.831 ( 1.761 -5.247 3.202) 6.394 3.224 ( -2.834 -8.704 -0.917) 9.199 3.358 ( -0.344 -1.461 -11.985) 12.078 3.401 ( 0.094 -3.015 0.288) 3.030 3.815 ( -6.437 -4.006 1.981) 7.836 4.001 ( 0.603 -21.298 11.802) 24.357 4.192 ( 4.569 -3.669 1.947) 6.175 4.610 ( 2.078 6.384 4.524) 8.096 5.026 ( -5.930 -2.198 -2.518) 6.807 5.184 ( 2.491 -13.494 -5.289) 14.706 5.376 ( -3.326 -9.614 -3.262) 10.683 5.810 ( 1.063 -11.826 3.926) 12.506 6.849 ( -2.019 -8.106 -1.602) 8.506 7.392 ( -0.433 -0.747 -1.300) 1.560 7.472 ( -4.212 -4.337 -2.038) 6.380 8.037 ( 4.102 -0.313 2.438) 4.782 8.149 ( 0.340 1.576 1.296) 2.069 8.505 ( 5.596 2.955 2.326) 6.742 8.707 ( -6.112 2.115 0.901) 6.530 8.886 ( 0.622 -2.651 -12.555) 12.847 9.307 ( -5.311 9.985 2.055) 11.495 9.416 ( 6.531 -1.587 6.654) 9.457 9.615 ( -0.122 5.326 4.582) 7.027 10.358 ( 4.737 14.365 -6.715) 16.549 10.703 ( -5.370 8.280 6.515) 11.825 11.629 ( -7.006 5.263 -0.878) 8.807 12.122 ( -4.405 4.239 4.541) 7.615 12.247 ( 0.170 -1.884 0.141) 1.897 13.761 ( -1.657 0.758 -3.600) 4.035 14.539 ( -5.152 -4.491 0.004) 6.835 14.844 ( 1.821 2.666 -2.467) 4.063 15.337 ( -3.023 11.202 0.557) 11.616 17.852 ( 4.589 -0.266 -1.175) 4.745 18.716 ( -6.581 1.386 1.819) 6.967 19.096 ( -1.133 1.494 -3.116) 3.637 19.572 ( 14.223 5.506 0.929) 15.280 ======================= Grid point 5 (6/324) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.458 ( 3.825 -2.596 -0.048) 4.623 1.557 ( -6.066 -1.926 3.961) 7.497 1.688 ( 0.658 0.262 1.065) 1.279 2.055 ( 0.563 -2.133 -0.968) 2.409 2.177 ( 11.406 -11.728 -4.327) 16.922 2.792 ( 0.422 -14.317 -3.415) 14.725 2.930 ( 0.992 -3.328 1.458) 3.766 3.279 ( -4.397 3.568 -5.582) 7.951 3.401 ( -0.056 -10.742 -0.546) 10.756 3.480 ( 2.304 -4.767 -3.055) 6.113 3.816 ( -9.053 -1.133 -1.960) 9.332 4.110 ( 2.673 8.092 14.738) 17.024 4.296 ( 3.598 3.769 -0.715) 5.259 4.578 ( -2.060 0.837 7.104) 7.444 5.085 ( 1.280 -10.303 -1.561) 10.499 5.412 ( 1.290 -11.108 -3.379) 11.682 5.612 ( -2.919 -15.327 -4.792) 16.321 6.054 ( 0.163 -11.427 3.189) 11.865 6.991 ( -4.025 -9.390 -0.258) 10.219 7.405 ( 0.050 -2.313 -2.322) 3.278 7.540 ( -5.160 -3.916 0.479) 6.496 7.930 ( 2.443 8.305 -0.848) 8.698 8.227 ( 4.818 -2.914 4.404) 7.148 8.480 ( 4.918 2.727 -3.011) 6.379 8.598 ( -5.855 5.353 -0.694) 7.963 8.927 ( -0.864 -3.174 -5.934) 6.785 9.119 ( -3.147 7.408 2.441) 8.411 9.502 ( 5.723 -1.694 5.676) 8.237 9.529 ( -2.423 2.621 0.045) 3.570 10.105 ( 5.707 13.565 -3.125) 15.045 10.542 ( -6.054 7.442 4.985) 10.812 11.483 ( -1.055 7.757 0.428) 7.840 12.039 ( -8.685 1.502 2.845) 9.262 12.283 ( 0.491 -1.689 -0.146) 1.765 13.755 ( 0.572 -1.264 -3.612) 3.869 14.564 ( -5.016 -1.470 -1.615) 5.471 14.811 ( 2.347 1.504 -0.342) 2.809 15.126 ( -2.742 9.392 0.751) 9.813 17.883 ( 4.286 -0.805 -0.938) 4.461 18.663 ( -6.342 1.074 1.153) 6.535 19.057 ( -0.786 1.323 -1.589) 2.212 19.548 ( 10.648 4.107 0.653) 11.431 ======================= Grid point 6 (7/324) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.502 ( 2.005 -0.777 -0.315) 2.174 1.566 ( -2.961 -0.761 1.555) 3.430 1.689 ( 0.261 0.197 1.049) 1.098 2.079 ( 0.278 -0.754 -0.494) 0.943 2.419 ( 7.868 -8.961 -1.886) 12.073 2.957 ( -0.379 1.052 -1.766) 2.091 3.028 ( -0.109 -10.609 -3.925) 11.312 3.187 ( -4.175 1.143 -0.582) 4.367 3.572 ( 7.734 -4.084 -5.127) 10.138 3.619 ( -3.751 -11.179 1.990) 11.958 3.775 ( -8.303 -1.033 -2.909) 8.858 3.986 ( 2.655 9.451 12.387) 15.805 4.142 ( 3.061 11.767 1.544) 12.257 4.502 ( -4.018 4.637 0.587) 6.164 5.355 ( 4.535 -12.320 1.939) 13.270 5.568 ( -0.933 -5.674 -2.876) 6.430 5.826 ( -1.499 -9.027 -2.366) 9.451 6.233 ( -0.148 -6.365 1.574) 6.559 7.169 ( -4.191 -11.450 1.011) 12.235 7.442 ( 0.276 -1.059 -1.084) 1.540 7.546 ( -5.625 0.497 -0.429) 5.663 7.823 ( 7.214 4.972 -0.728) 8.791 8.255 ( -1.832 1.238 3.841) 4.432 8.393 ( -3.244 5.931 -4.479) 8.109 8.566 ( 9.229 -2.514 -1.602) 9.699 8.906 ( -5.616 2.385 -0.381) 6.114 9.015 ( -1.095 4.023 2.980) 5.125 9.535 ( -2.053 -5.055 -1.537) 5.669 9.571 ( 2.107 -2.682 -2.267) 4.095 9.887 ( 6.060 12.858 3.129) 14.555 10.406 ( -4.490 4.808 2.402) 7.003 11.349 ( 0.507 5.761 0.439) 5.800 11.999 ( -5.857 -0.287 1.357) 6.019 12.311 ( 0.301 -0.957 -0.064) 1.005 13.777 ( 0.885 -1.318 -2.146) 2.669 14.550 ( -2.788 -0.196 -1.711) 3.277 14.802 ( 1.060 0.573 0.554) 1.326 14.973 ( -1.547 5.559 0.600) 5.801 17.914 ( 2.729 -0.670 -0.537) 2.861 18.622 ( -3.958 0.583 0.538) 4.037 19.030 ( -0.374 0.824 -0.640) 1.109 19.533 ( 5.690 2.158 0.354) 6.096 ======================= Grid point 7 (8/324) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.513 ( -0.000 -0.000 0.000) 0.000 1.568 ( 0.000 -0.000 -0.000) 0.000 1.690 ( 0.000 -0.000 0.000) 0.000 2.086 ( 0.000 -0.000 0.000) 0.000 2.538 ( 0.000 -0.000 0.000) 0.000 2.919 ( 0.000 -0.000 0.000) 0.000 3.110 ( 0.000 -0.000 -0.000) 0.000 3.198 ( 0.000 -0.000 0.000) 0.000 3.648 ( 0.000 -0.000 -0.000) 0.000 3.678 ( -0.000 0.000 0.000) 0.000 3.830 ( 0.000 -0.000 0.000) 0.000 3.930 ( 0.000 -0.000 -0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 -0.000 -0.000) 0.000 5.509 ( 0.000 -0.000 -0.000) 0.000 5.599 ( 0.000 -0.000 0.000) 0.000 5.905 ( 0.000 -0.000 0.000) 0.000 6.296 ( 0.000 -0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.412 ( 0.000 -0.000 0.000) 0.000 7.508 ( 0.000 -0.000 0.000) 0.000 7.800 ( 0.000 -0.000 0.000) 0.000 8.258 ( -0.000 -0.000 0.000) 0.000 8.288 ( 0.000 0.000 -0.000) 0.000 8.647 ( -0.000 -0.000 0.000) 0.000 8.837 ( 0.000 -0.000 0.000) 0.000 8.977 ( 0.000 -0.000 0.000) 0.000 9.590 ( 0.000 -0.000 0.000) 0.000 9.646 ( -0.000 -0.000 -0.000) 0.000 9.731 ( -0.000 -0.000 -0.000) 0.000 10.349 ( -0.000 -0.000 0.000) 0.000 11.294 ( 0.000 -0.000 0.000) 0.000 11.990 ( 0.000 -0.000 0.000) 0.000 12.321 ( 0.000 -0.000 -0.000) 0.000 13.790 ( 0.000 -0.000 0.000) 0.000 14.541 ( 0.000 -0.000 0.000) 0.000 14.800 ( 0.000 -0.000 0.000) 0.000 14.916 ( 0.000 -0.000 -0.000) 0.000 17.927 ( 0.000 -0.000 0.000) 0.000 18.607 ( 0.000 -0.000 0.000) 0.000 19.020 ( 0.000 -0.000 -0.000) 0.000 19.528 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 16 (9/324) ======================= q-point: ( 0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.284 ( 23.153 0.000 6.638) 24.086 0.314 ( 22.662 0.000 12.392) 25.829 0.533 ( 43.140 0.000 12.460) 44.903 1.614 ( 1.323 0.000 -0.221) 1.341 1.853 ( -0.934 -0.000 -6.241) 6.311 2.090 ( 0.226 0.000 -0.386) 0.447 2.164 ( 6.646 0.000 5.838) 8.846 2.531 ( 3.462 0.000 2.269) 4.139 2.875 ( -2.860 -0.000 -4.803) 5.590 3.040 ( -10.375 -0.000 -0.710) 10.400 3.206 ( -8.413 -0.000 1.962) 8.639 3.412 ( 6.839 0.000 1.973) 7.118 3.436 ( 2.834 0.000 2.725) 3.931 4.591 ( -4.838 -0.000 -20.276) 20.845 4.891 ( 8.362 0.000 -6.977) 10.890 5.005 ( -3.011 -0.000 -6.255) 6.942 5.349 ( 3.940 0.000 16.750) 17.207 5.723 ( -3.613 -0.000 -3.372) 4.942 6.224 ( 1.178 0.000 0.051) 1.179 7.026 ( -1.152 -0.000 0.363) 1.208 7.598 ( 1.927 0.000 -1.323) 2.337 7.969 ( 25.317 0.000 -40.937) 48.133 8.055 ( 1.901 0.000 -0.537) 1.975 8.367 ( -11.412 -0.000 5.253) 12.563 8.583 ( 0.098 0.000 0.718) 0.725 9.161 ( 2.704 0.000 13.598) 13.864 9.362 ( 6.100 0.000 0.064) 6.100 9.491 ( -4.329 -0.000 -0.351) 4.343 9.727 ( 3.753 0.000 -0.163) 3.757 10.931 ( -8.229 -0.000 14.502) 16.674 11.697 ( -4.997 -0.000 -2.330) 5.513 12.137 ( -7.068 -0.000 1.680) 7.265 12.350 ( -0.520 -0.000 -0.522) 0.736 12.619 ( 0.018 0.000 0.535) 0.535 12.965 ( -43.467 -0.000 79.313) 90.443 14.069 ( -29.138 -0.000 36.215) 46.482 14.770 ( 5.513 0.000 -6.713) 8.686 15.926 ( -1.443 -0.000 0.975) 1.742 17.902 ( 8.635 0.000 -11.155) 14.106 18.835 ( 3.459 0.000 -0.154) 3.463 19.500 ( 9.225 0.000 -41.166) 42.187 19.887 ( 59.327 0.000 -70.943) 92.480 ======================= Grid point 17 (10/324) ======================= q-point: ( 0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.578 ( 11.312 -17.218 6.347) 21.557 0.630 ( 16.347 -12.228 12.701) 24.043 1.102 ( 29.320 -25.036 2.922) 38.665 1.642 ( 1.558 -1.807 -0.298) 2.405 1.830 ( -0.161 -0.680 -5.928) 5.969 2.137 ( 1.346 -3.409 -0.069) 3.666 2.281 ( 8.563 -8.530 5.538) 13.295 2.577 ( 4.649 -1.596 3.658) 6.126 2.954 ( -4.104 -11.151 -6.075) 13.345 2.998 ( -11.719 -2.338 -0.832) 11.979 3.243 ( -7.646 -6.950 1.716) 10.474 3.463 ( 0.294 -1.816 5.207) 5.522 3.544 ( 6.374 -8.872 2.978) 11.323 4.531 ( -6.045 -3.795 -17.618) 19.009 4.871 ( 2.842 1.315 -17.433) 17.712 4.970 ( -3.592 1.190 9.216) 9.963 5.403 ( 5.058 2.401 17.113) 18.006 5.670 ( -4.874 1.683 -4.804) 7.048 6.371 ( 0.418 -9.240 -2.424) 9.561 7.059 ( -2.163 -4.008 0.675) 4.604 7.604 ( 2.181 -0.195 -3.752) 4.345 7.826 ( 7.145 -2.022 -5.224) 9.079 8.113 ( 0.505 7.719 4.779) 9.092 8.527 ( -6.641 -9.119 -12.407) 16.769 8.761 ( -9.148 -12.639 -11.413) 19.331 9.141 ( 1.016 8.927 7.956) 12.001 9.369 ( 9.988 1.775 2.906) 10.552 9.507 ( -6.023 -3.431 2.417) 7.341 9.763 ( 4.897 -0.646 1.974) 5.319 10.925 ( -3.559 1.682 6.354) 7.475 11.419 ( 1.938 25.295 6.957) 26.306 11.831 ( -3.895 8.013 9.289) 12.871 12.180 ( 3.542 1.739 0.566) 3.986 12.334 ( 1.802 1.973 1.720) 3.178 13.906 ( -4.963 -22.428 -24.439) 33.540 14.023 ( -43.364 -6.284 42.720) 61.196 14.851 ( -1.037 -5.361 -7.294) 9.111 15.874 ( -2.136 4.728 0.936) 5.271 17.890 ( 7.102 1.918 -5.078) 8.939 18.828 ( 2.265 2.088 0.337) 3.099 19.296 ( 8.457 8.069 -20.202) 23.339 19.830 ( 28.272 7.614 -8.413) 30.464 ======================= Grid point 18 (11/324) ======================= q-point: ( 0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.976 ( 10.379 -13.856 4.684) 17.935 0.983 ( 5.986 -16.761 10.741) 20.788 1.565 ( 15.860 -9.720 -4.353) 19.104 1.688 ( 2.742 -2.554 -0.410) 3.769 1.858 ( 0.893 -3.971 -3.464) 5.345 2.225 ( 3.597 -4.532 0.686) 5.827 2.645 ( 5.519 -11.966 2.518) 13.416 2.681 ( 11.497 -15.573 4.713) 19.923 3.003 ( -10.554 -5.332 0.086) 11.825 3.175 ( -4.224 -14.651 -6.442) 16.553 3.353 ( -3.304 -6.398 0.491) 7.217 3.547 ( -7.010 -6.886 7.071) 12.106 3.807 ( 5.582 -13.619 4.395) 15.361 4.586 ( -5.178 -10.914 -14.407) 18.802 4.782 ( 0.737 2.231 -16.408) 16.576 4.975 ( -4.105 -0.052 9.307) 10.172 5.417 ( 3.730 4.018 13.880) 14.923 5.601 ( -3.805 0.536 -4.263) 5.739 6.542 ( 2.316 -8.717 -2.415) 9.337 7.152 ( -3.554 -6.953 1.081) 7.883 7.575 ( -0.002 3.073 -6.129) 6.856 7.951 ( 3.122 -7.908 -3.727) 9.283 8.021 ( 5.219 3.268 6.483) 8.942 8.591 ( -8.119 -4.021 -2.154) 9.313 8.821 ( -6.277 -2.850 -9.311) 11.585 8.956 ( 6.716 12.278 3.087) 14.331 9.404 ( 8.247 0.592 2.235) 8.565 9.522 ( -8.762 0.240 4.910) 10.047 9.784 ( 5.205 2.386 3.293) 6.605 10.850 ( 2.328 7.941 -0.149) 8.277 11.056 ( -3.175 14.693 5.441) 15.987 11.717 ( -12.770 2.682 0.450) 13.056 12.186 ( 2.527 -0.388 -0.466) 2.599 12.315 ( 2.028 2.956 4.881) 6.056 13.862 ( -10.470 3.904 0.565) 11.188 14.236 ( -14.895 -13.681 5.450) 20.947 14.889 ( 0.692 -1.444 -6.977) 7.158 15.735 ( -2.985 8.687 0.663) 9.210 17.879 ( 6.377 1.592 -2.774) 7.135 18.784 ( -2.712 2.577 0.910) 3.850 19.182 ( 3.451 3.488 -7.938) 9.332 19.810 ( 19.883 6.684 -1.130) 21.007 ======================= Grid point 19 (12/324) ======================= q-point: ( 0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.252 ( 7.849 -8.999 3.328) 12.397 1.317 ( -1.847 -12.703 9.927) 16.227 1.674 ( 4.169 -1.354 -2.340) 4.969 1.787 ( 11.225 -5.373 -6.785) 14.174 1.949 ( 2.230 -4.665 -1.297) 5.331 2.355 ( 3.763 -7.487 -0.581) 8.399 2.768 ( 3.536 -4.370 5.351) 7.762 3.044 ( -3.995 -8.394 -0.291) 9.301 3.178 ( 5.395 -13.256 -13.313) 19.547 3.372 ( -2.396 -4.145 4.149) 6.336 3.554 ( 1.509 -23.654 5.980) 24.444 3.665 ( -10.540 -7.563 3.989) 13.571 4.100 ( 4.251 -11.480 5.730) 13.517 4.690 ( 1.035 -0.166 -8.361) 8.427 4.821 ( -4.744 -15.188 -7.061) 17.408 4.976 ( -3.855 -1.396 0.477) 4.128 5.365 ( 0.538 4.915 4.610) 6.760 5.639 ( -1.029 -6.720 1.728) 7.015 6.697 ( 1.364 -7.397 -2.326) 7.873 7.281 ( -4.565 -8.073 1.705) 9.430 7.468 ( -0.001 4.852 -5.589) 7.401 8.048 ( 6.194 -1.758 3.419) 7.291 8.115 ( 2.055 -5.448 -0.248) 5.828 8.567 ( -8.725 1.615 3.213) 9.437 8.763 ( -0.661 3.185 -4.153) 5.275 8.845 ( 6.626 3.227 -5.344) 9.103 9.412 ( -8.964 4.494 -0.213) 10.030 9.460 ( 5.759 1.031 5.321) 7.909 9.748 ( 3.231 5.303 6.452) 8.955 10.631 ( 4.784 14.527 -6.458) 16.601 10.857 ( -5.595 8.125 7.872) 12.621 11.615 ( -12.167 0.804 -0.742) 12.216 12.212 ( 2.668 -0.449 -0.577) 2.766 12.246 ( -3.023 5.737 6.078) 8.888 13.754 ( -6.938 1.834 -2.431) 7.577 14.393 ( -8.014 -8.267 1.626) 11.628 14.879 ( 2.370 1.017 -5.079) 5.696 15.532 ( -3.728 10.930 0.544) 11.561 17.881 ( 6.432 0.853 -1.935) 6.771 18.716 ( -6.887 2.168 1.155) 7.312 19.127 ( 2.796 2.437 -3.681) 5.225 19.773 ( 16.092 6.997 0.200) 17.549 ======================= Grid point 20 (13/324) ======================= q-point: ( 0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.415 ( 3.203 -4.569 2.189) 5.994 1.484 ( -3.168 -4.615 5.762) 8.033 1.697 ( 1.029 -0.151 0.450) 1.133 1.973 ( 8.394 -8.221 -5.208) 12.851 2.047 ( 7.984 -5.591 -2.624) 10.094 2.544 ( 2.740 -11.166 -2.382) 11.741 2.881 ( 2.442 -3.894 4.955) 6.758 3.188 ( -3.297 -9.314 -0.933) 9.924 3.277 ( 0.745 -2.110 -12.749) 12.944 3.408 ( -0.780 -2.532 2.768) 3.831 3.713 ( -12.868 -3.664 0.247) 13.382 4.114 ( 6.238 -23.150 8.611) 25.475 4.254 ( 3.335 -0.466 5.087) 6.101 4.664 ( 0.429 4.508 6.601) 8.005 4.934 ( -7.310 -5.602 -3.337) 9.796 5.170 ( 2.865 -16.436 -7.475) 18.282 5.342 ( -0.270 -4.670 -1.912) 5.053 5.828 ( -1.811 -12.280 2.872) 12.741 6.824 ( -0.940 -6.842 -0.814) 6.954 7.381 ( 0.724 -0.128 -1.893) 2.031 7.415 ( -5.352 -5.321 -0.853) 7.595 8.060 ( 1.134 4.298 -0.174) 4.448 8.212 ( 6.785 -3.329 3.670) 8.402 8.510 ( -6.706 1.099 1.288) 6.917 8.698 ( 3.668 4.717 -0.491) 5.996 8.832 ( 2.558 -2.220 -9.258) 9.858 9.232 ( -10.416 7.289 0.497) 12.723 9.511 ( 6.020 -0.563 1.766) 6.299 9.659 ( 0.656 7.492 8.281) 11.187 10.366 ( 4.570 13.390 -6.260) 15.471 10.697 ( -4.498 8.912 8.212) 12.926 11.553 ( -6.277 1.023 -0.703) 6.399 12.086 ( -8.074 7.617 4.653) 12.036 12.255 ( 1.358 -1.717 -0.221) 2.201 13.714 ( -2.330 -1.191 -4.311) 5.043 14.477 ( -6.540 -4.473 0.026) 7.924 14.853 ( 3.187 1.735 -2.837) 4.606 15.304 ( -3.960 10.904 0.719) 11.623 17.900 ( 6.400 0.135 -1.507) 6.576 18.646 ( -8.402 1.205 1.121) 8.561 19.088 ( 2.142 2.273 -1.863) 3.637 19.718 ( 12.841 6.796 0.449) 14.535 ======================= Grid point 21 (14/324) ======================= q-point: ( 0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.483 ( -2.072 -1.893 2.940) 4.064 1.541 ( 1.696 -1.537 0.181) 2.296 1.700 ( 0.006 0.315 1.196) 1.237 2.057 ( 1.010 -1.870 -0.749) 2.254 2.275 ( 12.477 -10.563 -3.765) 16.776 2.778 ( 1.889 -13.033 -4.594) 13.948 2.957 ( 1.246 -1.408 2.653) 3.252 3.198 ( -3.980 2.179 -5.519) 7.145 3.394 ( -1.573 -11.024 1.222) 11.203 3.500 ( 4.885 -5.341 -2.582) 7.685 3.689 ( -12.582 -1.712 -1.501) 12.786 4.219 ( 2.725 6.990 7.914) 10.905 4.346 ( 4.753 4.744 4.216) 7.929 4.562 ( -8.695 4.789 5.684) 11.439 5.115 ( 5.495 -14.818 0.369) 15.809 5.403 ( 1.658 -9.930 -4.277) 10.938 5.561 ( -1.551 -16.118 -3.880) 16.651 6.060 ( -2.192 -11.675 1.828) 12.019 6.958 ( -2.742 -8.725 1.464) 9.262 7.386 ( -0.942 -1.880 -2.822) 3.519 7.489 ( -4.754 -4.078 -0.058) 6.264 7.963 ( 5.202 5.822 -1.080) 7.882 8.302 ( 4.359 -0.004 4.533) 6.289 8.438 ( -6.334 2.794 -2.485) 7.356 8.621 ( 7.314 4.569 -0.748) 8.656 8.875 ( -2.544 -2.632 -4.804) 6.040 9.079 ( -7.265 3.501 1.499) 8.202 9.490 ( -1.624 4.636 -1.903) 5.268 9.590 ( 3.050 1.240 3.133) 4.545 10.149 ( 5.615 11.181 -0.994) 12.551 10.535 ( -2.878 8.584 8.000) 12.082 11.473 ( -0.742 5.888 -0.611) 5.966 11.956 ( -10.350 1.137 2.192) 10.640 12.290 ( 0.972 -1.402 -0.171) 1.714 13.734 ( 0.076 -2.478 -3.819) 4.553 14.504 ( -4.909 -2.108 -0.921) 5.422 14.832 ( 2.666 1.491 -1.029) 3.223 15.099 ( -3.433 8.726 0.986) 9.429 17.927 ( 5.442 0.040 -1.063) 5.545 18.597 ( -7.410 -0.076 0.825) 7.456 19.052 ( 1.129 1.872 -0.971) 2.392 19.655 ( 9.208 6.022 0.426) 11.011 ======================= Grid point 22 (15/324) ======================= q-point: ( 0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.500 ( -3.717 -0.826 2.849) 4.756 1.569 ( 3.770 -0.410 -2.158) 4.363 1.695 ( -0.439 0.396 0.903) 1.079 2.082 ( 0.631 -0.615 -0.297) 0.930 2.492 ( 7.607 -6.485 -0.722) 10.023 2.930 ( -0.717 1.011 -4.390) 4.562 3.019 ( 1.708 -9.765 -2.367) 10.192 3.155 ( -1.762 -0.474 0.711) 1.958 3.579 ( -7.506 -7.302 3.591) 11.070 3.623 ( 8.413 -4.492 -5.694) 11.107 3.678 ( -5.962 -6.329 -3.269) 9.289 4.091 ( 2.386 10.969 11.934) 16.384 4.173 ( 0.022 12.643 2.460) 12.880 4.450 ( -4.889 2.958 -1.425) 5.890 5.419 ( 4.942 -10.855 1.862) 12.072 5.543 ( -0.194 -5.414 -2.377) 5.916 5.803 ( -0.430 -10.138 -1.641) 10.279 6.231 ( -1.623 -6.647 0.525) 6.863 7.140 ( -3.258 -11.426 2.456) 12.133 7.413 ( -4.078 -3.250 -2.166) 5.647 7.507 ( -0.770 1.021 -0.897) 1.562 7.906 ( 9.544 4.626 -0.600) 10.623 8.263 ( -1.400 3.842 3.956) 5.690 8.343 ( -1.387 3.615 -3.427) 5.171 8.640 ( 6.284 -1.382 -1.703) 6.656 8.838 ( -6.661 1.697 0.005) 6.873 9.019 ( -3.499 2.380 5.029) 6.572 9.441 ( -3.463 -4.497 -10.421) 11.866 9.590 ( -0.456 0.168 -1.806) 1.870 9.983 ( 6.320 11.245 6.659) 14.517 10.413 ( 0.623 5.459 5.899) 8.062 11.345 ( -1.007 5.650 -0.857) 5.802 11.946 ( -5.110 -3.045 0.114) 5.949 12.314 ( 0.422 -0.722 -0.132) 0.846 13.770 ( 0.393 -1.862 -2.153) 2.874 14.516 ( -2.298 -1.750 -0.499) 2.932 14.815 ( 1.481 1.190 -0.431) 1.949 14.958 ( -2.247 4.752 0.923) 5.337 17.941 ( 3.075 0.680 -0.486) 3.187 18.582 ( -4.235 -1.382 0.365) 4.469 19.026 ( 0.247 0.935 -0.450) 1.066 19.590 ( 4.909 4.811 0.270) 6.879 ======================= Grid point 23 (16/324) ======================= q-point: (-0.43 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.498 ( -3.462 -0.097 2.144) 4.073 1.585 ( 4.177 0.062 -2.557) 4.898 1.686 ( -0.643 0.321 -0.135) 0.731 2.088 ( 0.265 0.106 0.136) 0.316 2.530 ( -1.872 4.636 0.788) 5.061 2.929 ( 1.279 -2.509 0.950) 2.972 3.132 ( 4.140 -0.298 -0.409) 4.171 3.192 ( 0.115 -2.537 -1.280) 2.844 3.585 ( -10.250 -0.015 4.103) 11.041 3.722 ( 9.455 -4.304 -8.541) 13.449 3.829 ( 0.151 -2.251 -0.898) 2.428 3.937 ( -2.118 1.925 1.143) 3.082 3.966 ( -1.031 8.459 6.471) 10.700 4.431 ( -0.564 -3.137 -1.772) 3.647 5.488 ( -1.961 3.851 -1.932) 4.734 5.625 ( 2.693 -1.652 2.165) 3.830 5.912 ( 0.817 -1.243 0.536) 1.581 6.287 ( -1.045 -0.054 -0.775) 1.302 7.327 ( -0.695 -4.884 1.104) 5.055 7.417 ( 0.653 3.666 -0.073) 3.724 7.484 ( -2.976 -5.523 -1.427) 6.434 7.841 ( 6.911 7.048 0.531) 9.885 8.268 ( 2.297 0.040 -0.767) 2.422 8.294 ( 0.643 -3.785 0.911) 3.946 8.599 ( -8.874 4.932 1.040) 10.206 8.848 ( 2.300 -4.452 -1.422) 5.209 8.992 ( 0.116 0.646 4.401) 4.450 9.494 ( -5.054 -3.694 -14.543) 15.833 9.610 ( -4.311 -6.639 -0.481) 7.930 9.820 ( 5.013 11.409 9.314) 15.558 10.390 ( 5.152 0.170 3.469) 6.213 11.279 ( -2.079 -0.279 -1.270) 2.452 11.992 ( 1.102 -2.744 -1.185) 3.185 12.320 ( -0.008 0.130 -0.104) 0.167 13.787 ( -0.382 -0.281 -0.085) 0.482 14.547 ( 0.387 -1.882 1.227) 2.280 14.800 ( 0.569 0.768 -1.042) 1.414 14.913 ( -0.805 -0.769 0.391) 1.181 17.928 ( 0.106 1.454 0.078) 1.460 18.606 ( -0.122 -2.164 -0.103) 2.170 19.020 ( 0.027 -0.373 0.014) 0.374 19.527 ( -0.051 3.191 -0.011) 3.191 ======================= Grid point 24 (17/324) ======================= q-point: (-0.36 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.478 ( -3.094 1.183 1.251) 3.541 1.595 ( 4.654 0.436 -2.657) 5.377 1.678 ( -0.666 -0.043 -0.977) 1.183 2.081 ( 0.000 0.817 0.483) 0.949 2.356 ( -6.715 10.688 2.256) 12.822 2.968 ( 0.692 0.950 0.793) 1.418 3.062 ( 1.470 10.558 2.829) 11.029 3.244 ( 4.965 -3.419 2.248) 6.434 3.525 ( -6.733 3.048 3.680) 8.257 3.639 ( 1.793 11.624 -0.436) 11.770 3.874 ( 6.438 -5.857 -1.095) 8.772 3.888 ( -1.754 -1.156 -6.535) 6.865 4.098 ( -3.155 -12.036 -1.838) 12.578 4.521 ( 1.184 -5.176 -1.906) 5.641 5.307 ( -2.844 12.223 -1.144) 12.601 5.595 ( 1.059 6.615 2.393) 7.114 5.862 ( 2.216 7.661 2.728) 8.429 6.215 ( -1.119 6.594 -2.274) 7.065 7.210 ( 4.021 10.858 -0.045) 11.579 7.436 ( -1.540 -0.605 0.590) 1.757 7.611 ( 6.087 -2.884 -0.441) 6.750 7.771 ( -3.644 -1.887 1.184) 4.271 8.248 ( 1.371 1.985 -4.076) 4.737 8.435 ( -5.859 -0.755 5.297) 7.935 8.508 ( 1.576 -6.633 0.885) 6.875 8.941 ( 0.476 -3.564 -0.652) 3.654 9.025 ( 2.605 -2.296 1.980) 3.997 9.446 ( -5.746 -0.141 -10.978) 12.392 9.627 ( 0.099 7.127 6.445) 9.610 9.827 ( -2.790 -11.791 -0.232) 12.119 10.465 ( 6.892 -3.525 0.916) 7.796 11.331 ( -1.657 -6.602 -1.374) 6.944 12.046 ( 5.183 -1.754 -2.035) 5.838 12.309 ( -0.127 1.005 0.059) 1.015 13.779 ( -1.069 0.832 1.748) 2.211 14.594 ( 2.831 -1.298 2.868) 4.234 14.785 ( -0.816 0.183 -1.762) 1.950 14.982 ( 0.769 -6.385 -0.260) 6.436 17.892 ( -1.996 1.740 0.464) 2.688 18.655 ( 2.984 -2.203 -0.572) 3.753 19.042 ( 1.126 -1.536 0.716) 2.035 19.472 ( -5.462 1.086 -0.392) 5.582 ======================= Grid point 25 (18/324) ======================= q-point: (-0.29 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.422 ( -3.062 3.572 0.224) 4.710 1.598 ( 6.218 1.254 -3.861) 7.426 1.675 ( -0.804 -0.213 -0.681) 1.075 2.056 ( -0.573 3.174 0.850) 3.335 2.097 ( -8.522 12.115 3.713) 15.270 2.809 ( 0.694 15.138 1.623) 15.241 2.920 ( -0.194 4.970 -0.170) 4.977 3.348 ( 3.552 -2.935 2.235) 5.121 3.403 ( -1.197 8.353 2.607) 8.832 3.493 ( -0.588 4.422 6.077) 7.539 3.865 ( 0.325 0.588 -5.664) 5.704 4.030 ( 3.482 -6.599 -7.272) 10.419 4.271 ( -2.486 -5.099 1.052) 5.770 4.531 ( -1.672 3.676 -6.386) 7.556 5.095 ( 0.533 5.807 1.659) 6.063 5.419 ( -0.681 12.159 2.120) 12.361 5.678 ( 3.685 14.071 4.905) 15.350 6.020 ( -1.841 11.809 -3.772) 12.532 7.036 ( 3.531 9.690 0.842) 10.348 7.415 ( -0.267 1.531 1.358) 2.063 7.590 ( 4.700 4.924 0.156) 6.808 7.920 ( -0.558 -10.815 0.583) 10.845 8.147 ( -5.460 4.855 -3.852) 8.260 8.424 ( -6.158 -2.025 1.394) 6.630 8.706 ( 11.556 -4.949 1.095) 12.618 8.959 ( -3.140 1.125 6.644) 7.434 9.128 ( 1.731 -7.826 -0.951) 8.072 9.385 ( -6.058 0.534 -9.594) 11.359 9.558 ( 1.203 0.653 1.152) 1.789 10.073 ( -3.621 -14.960 2.624) 15.614 10.584 ( 5.563 -5.607 -1.959) 8.138 11.489 ( 0.752 -10.207 -0.782) 10.265 12.096 ( 5.527 -1.273 -2.547) 6.218 12.283 ( 0.197 1.745 0.134) 1.761 13.768 ( -0.698 0.246 2.631) 2.733 14.625 ( 4.383 1.626 2.016) 5.091 14.787 ( -2.210 -2.160 -0.522) 3.134 15.146 ( 1.754 -9.980 -0.471) 10.144 17.851 ( -2.728 1.387 0.643) 3.127 18.710 ( 4.050 -1.868 -1.113) 4.597 19.092 ( 3.845 -1.830 1.908) 4.666 19.431 ( -10.730 -1.537 -0.932) 10.879 ======================= Grid point 26 (19/324) ======================= q-point: (-0.21 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.301 ( -3.134 7.893 -0.807) 8.531 1.569 ( 11.144 6.312 -8.435) 15.336 1.661 ( -3.763 1.421 2.530) 4.751 1.806 ( -10.383 10.693 5.613) 15.927 2.018 ( -0.361 3.036 0.732) 3.143 2.532 ( -0.590 14.026 0.896) 14.067 2.805 ( -0.687 6.423 -1.487) 6.628 3.260 ( 2.203 7.567 1.740) 8.071 3.376 ( 0.088 0.543 -3.178) 3.225 3.450 ( -1.091 6.214 13.101) 14.541 3.791 ( -1.256 6.087 -9.355) 11.231 3.995 ( 6.762 17.254 -4.018) 18.963 4.135 ( -4.973 5.214 -0.091) 7.206 4.572 ( -1.118 -9.146 -2.365) 9.513 5.083 ( 2.500 1.205 1.895) 3.360 5.183 ( -1.701 11.768 1.599) 11.998 5.444 ( 4.440 12.920 3.919) 14.213 5.764 ( -2.445 11.206 -3.666) 12.041 6.878 ( 1.490 9.108 1.158) 9.301 7.400 ( 0.279 1.681 0.085) 1.706 7.533 ( 3.962 2.038 3.185) 5.477 7.954 ( -6.061 5.137 -3.581) 8.714 8.183 ( 5.358 -8.099 0.982) 9.760 8.410 ( -8.139 -1.114 -2.471) 8.579 8.767 ( 5.401 1.615 -1.390) 5.806 8.976 ( 1.995 -0.199 12.983) 13.137 9.282 ( -4.064 -1.063 -10.024) 10.869 9.343 ( -0.446 -9.008 -1.000) 9.075 9.599 ( 0.468 -3.250 -1.849) 3.768 10.355 ( -2.592 -15.083 4.262) 15.886 10.718 ( 3.277 -7.096 -3.592) 8.602 11.700 ( 4.962 -10.213 0.898) 11.390 12.124 ( 1.076 -0.397 -2.890) 3.110 12.248 ( 0.593 2.092 -0.395) 2.210 13.792 ( 0.816 -2.212 2.062) 3.132 14.580 ( 2.686 5.032 -0.003) 5.704 14.845 ( -0.579 -4.050 1.469) 4.347 15.358 ( 1.651 -11.406 -0.315) 11.529 17.821 ( -2.404 0.530 0.642) 2.544 18.757 ( 3.366 -1.474 -1.488) 3.965 19.155 ( 6.225 -0.929 3.443) 7.174 19.418 ( -13.653 -4.383 -1.702) 14.440 ======================= Grid point 27 (20/324) ======================= q-point: (-0.14 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.074 ( -2.678 14.296 -1.571) 14.629 1.331 ( 3.915 18.983 -3.612) 19.716 1.589 ( -5.132 4.827 3.300) 7.780 1.700 ( -1.234 1.471 0.374) 1.956 1.950 ( -0.169 4.058 0.714) 4.124 2.302 ( -0.941 9.637 -0.165) 9.684 2.678 ( -0.820 5.776 -1.011) 5.921 3.039 ( -2.394 24.174 0.915) 24.309 3.243 ( 2.382 9.561 0.917) 9.895 3.348 ( -0.953 1.204 -0.875) 1.768 3.585 ( 1.514 12.119 2.564) 12.479 3.754 ( 2.242 9.087 -3.399) 9.958 3.969 ( -1.392 12.384 -1.931) 12.610 4.743 ( -0.421 -8.846 2.278) 9.144 4.981 ( 2.514 9.485 1.453) 9.920 5.013 ( -0.884 7.376 3.081) 8.042 5.283 ( 0.257 5.937 -4.753) 7.609 5.634 ( -0.224 0.528 0.110) 0.584 6.709 ( -0.014 9.411 0.689) 9.436 7.309 ( 0.509 6.924 -0.651) 6.974 7.627 ( 4.833 -6.555 6.275) 10.281 7.812 ( -6.311 4.088 -5.723) 9.450 8.177 ( 1.983 9.957 1.676) 10.290 8.542 ( -2.411 -15.663 -3.001) 16.129 8.746 ( 0.829 1.947 0.183) 2.124 9.045 ( 5.603 -0.816 11.366) 12.699 9.213 ( -6.035 -0.095 -9.536) 11.285 9.538 ( 2.339 -8.394 -0.721) 8.744 9.638 ( -1.662 -1.250 -1.372) 2.491 10.623 ( -1.433 -12.813 2.564) 13.145 10.865 ( 1.491 -8.278 -2.589) 8.800 11.917 ( 10.876 -7.148 3.605) 13.505 12.095 ( -7.010 0.430 -3.978) 8.071 12.209 ( -0.131 1.853 -0.885) 2.058 13.872 ( 1.789 -4.809 0.539) 5.159 14.481 ( 1.613 6.198 -0.531) 6.426 14.925 ( 0.701 -3.626 1.538) 4.001 15.577 ( 0.868 -10.832 -0.137) 10.867 17.812 ( -1.486 -0.468 0.496) 1.635 18.790 ( 1.849 -1.019 -1.211) 2.434 19.202 ( 3.244 -0.050 3.686) 4.910 19.450 ( -9.238 -5.904 -1.704) 11.095 ======================= Grid point 28 (21/324) ======================= q-point: (-0.07 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.744 ( -0.000 18.827 0.000) 18.827 0.939 ( -0.000 22.682 0.000) 22.682 1.368 ( -0.000 20.233 0.000) 20.233 1.670 ( -0.000 1.789 0.000) 1.789 1.887 ( -0.000 2.118 0.000) 2.118 2.164 ( -0.000 4.851 0.000) 4.851 2.510 ( -0.000 24.327 0.000) 24.327 2.583 ( -0.000 4.269 0.000) 4.269 3.154 ( -0.000 3.186 0.000) 3.186 3.282 ( -0.000 11.002 0.000) 11.002 3.360 ( -0.000 6.542 0.000) 6.542 3.593 ( -0.000 8.888 0.000) 8.888 3.684 ( -0.000 15.297 0.000) 15.297 4.840 ( -0.000 6.194 0.000) 6.194 4.871 ( -0.000 4.597 0.000) 4.597 4.913 ( 0.000 -5.899 -0.000) 5.899 5.220 ( 0.000 -0.168 -0.000) 0.168 5.677 ( 0.000 -3.305 -0.000) 3.305 6.536 ( -0.000 8.806 0.000) 8.806 7.176 ( -0.000 6.755 0.000) 6.755 7.681 ( -0.000 4.534 0.000) 4.534 7.853 ( 0.000 -11.234 -0.000) 11.234 7.975 ( -0.000 10.357 0.000) 10.357 8.699 ( -0.000 3.246 0.000) 3.246 8.837 ( 0.000 -15.356 -0.000) 15.356 9.125 ( 0.000 -2.594 -0.000) 2.594 9.180 ( 0.000 -1.106 -0.000) 1.106 9.610 ( -0.000 2.553 0.000) 2.553 9.661 ( 0.000 -3.289 -0.000) 3.289 10.825 ( 0.000 -8.528 -0.000) 8.528 11.026 ( 0.000 -8.739 -0.000) 8.739 11.950 ( -0.000 7.200 0.000) 7.200 12.155 ( 0.000 -9.246 -0.000) 9.246 12.179 ( -0.000 0.901 0.000) 0.901 13.974 ( 0.000 -4.813 -0.000) 4.813 14.373 ( -0.000 5.291 0.000) 5.291 14.991 ( 0.000 -2.649 -0.000) 2.649 15.763 ( 0.000 -8.395 -0.000) 8.395 17.824 ( 0.000 -1.058 -0.000) 1.058 18.807 ( 0.000 -0.556 -0.000) 0.556 19.216 ( 0.000 -0.234 -0.000) 0.234 19.528 ( 0.000 -4.885 -0.000) 4.885 ======================= Grid point 31 (22/324) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.560 ( 22.272 0.000 6.408) 23.176 0.623 ( 21.890 0.000 12.095) 25.009 1.041 ( 40.621 0.000 10.320) 41.911 1.632 ( 2.414 0.000 -0.298) 2.432 1.805 ( 0.058 0.000 -7.063) 7.063 2.091 ( 0.650 0.000 -0.762) 1.001 2.286 ( 9.166 0.000 5.536) 10.708 2.610 ( 6.799 0.000 5.951) 9.035 2.795 ( -4.947 -0.000 -7.169) 8.710 2.909 ( -13.319 -0.000 -0.016) 13.319 3.125 ( -9.921 -0.000 2.388) 10.204 3.478 ( 0.396 0.000 4.667) 4.684 3.498 ( 6.363 0.000 3.125) 7.089 4.409 ( -5.179 -0.000 -20.080) 20.738 4.835 ( 0.180 0.000 -20.125) 20.126 4.990 ( -4.189 -0.000 9.078) 9.998 5.513 ( 5.830 0.000 17.554) 18.496 5.637 ( -6.786 -0.000 -6.632) 9.489 6.242 ( 2.145 0.000 0.085) 2.146 7.012 ( -2.092 -0.000 0.621) 2.182 7.619 ( 4.256 0.000 -1.964) 4.687 7.973 ( 14.094 0.000 -22.613) 26.646 8.078 ( 3.472 0.000 -1.081) 3.636 8.280 ( -7.135 -0.000 -0.691) 7.169 8.591 ( 0.196 0.000 1.564) 1.576 9.264 ( 0.321 0.000 11.120) 11.124 9.433 ( -5.873 -0.000 -0.789) 5.926 9.475 ( 12.086 0.000 6.071) 13.525 9.772 ( 4.759 0.000 -0.255) 4.766 10.941 ( -3.036 -0.000 7.120) 7.740 11.602 ( -9.044 -0.000 -4.179) 9.963 12.055 ( -10.872 -0.000 2.309) 11.115 12.337 ( -0.938 -0.000 -0.901) 1.301 12.623 ( 0.022 0.000 0.922) 0.922 13.030 ( -15.110 -0.000 36.778) 39.761 13.966 ( -23.090 -0.000 17.433) 28.932 14.793 ( 7.707 0.000 -7.572) 10.804 15.911 ( -2.957 -0.000 1.495) 3.313 17.931 ( 7.630 0.000 -6.357) 9.931 18.875 ( 4.640 0.000 -1.995) 5.050 19.347 ( 0.855 0.000 -22.484) 22.500 20.052 ( 30.351 0.000 -24.594) 39.065 ======================= Grid point 32 (23/324) ======================= q-point: ( 0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.773 ( 17.658 -9.798 6.023) 21.074 0.887 ( 17.176 -9.199 12.345) 23.065 1.434 ( 29.832 -13.434 2.380) 32.804 1.661 ( 2.454 -1.554 -0.186) 2.910 1.797 ( 0.911 -1.564 -5.562) 5.849 2.150 ( 2.027 -5.179 -0.703) 5.606 2.416 ( 10.256 -8.672 4.532) 14.175 2.670 ( 5.999 -1.113 6.581) 8.974 2.862 ( -8.768 -8.259 -5.154) 13.101 2.876 ( -6.248 -6.074 -0.337) 8.720 3.163 ( -9.512 -8.101 1.314) 12.563 3.490 ( -2.459 -0.429 6.747) 7.194 3.630 ( 6.000 -8.984 3.428) 11.334 4.361 ( -4.868 -4.652 -17.640) 18.881 4.754 ( -1.593 1.117 -19.221) 19.319 4.988 ( -5.787 0.505 9.796) 11.389 5.554 ( -2.720 2.865 4.173) 5.747 5.578 ( 1.188 1.139 3.888) 4.222 6.370 ( 2.012 -9.593 -1.870) 9.979 7.035 ( -3.229 -3.497 0.708) 4.812 7.618 ( 4.967 1.983 -3.182) 6.223 7.871 ( 8.668 0.192 -6.661) 10.934 8.151 ( 0.113 4.815 5.397) 7.234 8.382 ( -4.174 -12.597 -12.114) 17.968 8.675 ( -2.778 -6.418 -1.613) 7.177 9.195 ( 1.282 8.602 4.343) 9.721 9.435 ( -4.294 -1.363 -0.884) 4.591 9.522 ( 7.439 2.134 8.014) 11.140 9.827 ( 5.520 -1.669 1.965) 6.092 10.935 ( -1.290 1.658 4.687) 5.136 11.394 ( -7.847 16.223 -0.737) 18.037 11.821 ( -7.934 14.349 7.194) 17.905 12.243 ( 5.579 6.960 2.157) 9.177 12.357 ( 0.535 0.926 1.891) 2.173 13.716 ( -14.837 -33.496 0.904) 36.647 13.871 ( -24.282 2.086 16.476) 29.418 14.837 ( 6.187 -2.361 -7.636) 10.108 15.852 ( -3.624 4.893 1.254) 6.216 17.937 ( 7.936 1.535 -4.475) 9.239 18.844 ( 1.162 3.871 -3.219) 5.167 19.245 ( 2.870 3.730 -10.671) 11.663 20.045 ( 22.936 7.088 -8.153) 25.353 ======================= Grid point 33 (24/324) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.083 ( 9.134 -12.245 5.428) 16.212 1.181 ( 13.246 -9.324 10.200) 19.143 1.663 ( 6.773 -1.690 -3.157) 7.662 1.738 ( 9.171 -3.836 -4.732) 11.010 1.867 ( 4.814 -5.304 -0.822) 7.210 2.265 ( 3.902 -5.051 -0.231) 6.387 2.708 ( 0.928 -8.038 4.895) 9.457 2.839 ( 11.447 -14.766 -0.012) 18.683 2.916 ( -2.423 -7.842 -1.253) 8.303 3.111 ( -2.834 -16.925 1.702) 17.245 3.300 ( -6.039 -10.006 -1.133) 11.742 3.522 ( -7.596 -3.002 9.427) 12.474 3.889 ( 5.433 -13.384 3.297) 14.816 4.446 ( -4.826 -12.426 -13.273) 18.811 4.681 ( -0.439 -0.775 -15.706) 15.732 4.969 ( -7.707 1.044 7.963) 11.131 5.469 ( -4.481 2.795 -3.065) 6.106 5.588 ( 2.892 1.592 8.544) 9.160 6.555 ( 3.477 -8.670 -2.777) 9.745 7.113 ( -5.230 -6.711 1.168) 8.588 7.564 ( 3.999 5.190 -3.397) 7.380 7.968 ( 5.292 -6.762 -4.304) 9.605 8.115 ( 5.152 1.156 5.262) 7.454 8.490 ( -8.445 -4.923 -1.479) 9.886 8.729 ( -3.005 -1.841 -5.292) 6.358 9.038 ( 5.591 9.825 1.968) 11.474 9.413 ( -8.704 0.938 -0.288) 8.759 9.526 ( 5.946 1.889 2.242) 6.629 9.864 ( 4.776 2.296 5.683) 7.770 10.875 ( 2.422 7.405 -0.220) 7.794 11.036 ( -6.517 14.857 4.496) 16.835 11.610 ( -9.240 5.954 2.255) 11.221 12.213 ( 3.020 0.478 -0.171) 3.062 12.342 ( -1.774 2.663 3.673) 4.872 13.743 ( -13.016 2.714 1.063) 13.339 14.116 ( -13.424 -17.436 3.973) 22.361 14.877 ( 4.953 -0.993 -6.656) 8.356 15.703 ( -4.197 8.866 0.795) 9.841 17.935 ( 8.068 1.627 -2.949) 8.742 18.744 ( -4.780 4.177 -1.987) 6.651 19.186 ( 4.726 2.723 -3.599) 6.535 19.996 ( 17.315 7.552 -1.741) 18.970 ======================= Grid point 34 (25/324) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.319 ( 1.894 -7.632 5.031) 9.335 1.413 ( 7.798 -6.011 6.546) 11.823 1.696 ( 1.802 -0.617 -0.365) 1.939 1.855 ( 10.129 -6.670 -7.669) 14.349 1.990 ( 7.561 -4.456 -0.919) 8.825 2.390 ( 3.631 -6.762 -0.700) 7.708 2.829 ( -0.782 -4.866 6.393) 8.072 3.010 ( -0.802 -7.645 0.593) 7.710 3.138 ( 4.666 -8.816 -15.453) 18.393 3.356 ( -5.309 -5.297 2.386) 7.870 3.565 ( -12.307 -4.407 7.438) 15.040 3.668 ( 8.832 -27.906 7.979) 30.339 4.168 ( 3.218 -11.175 2.346) 11.864 4.638 ( -0.752 -10.583 -8.591) 13.652 4.739 ( -4.690 -9.300 -2.675) 10.754 4.927 ( -5.274 -1.935 -0.996) 5.705 5.390 ( 1.384 4.476 0.021) 4.685 5.637 ( -2.635 -5.784 3.557) 7.284 6.706 ( 3.121 -6.369 -1.980) 7.364 7.231 ( -6.803 -8.268 1.462) 10.807 7.463 ( 3.923 5.891 -2.747) 7.592 8.086 ( 3.349 -2.860 -2.122) 4.888 8.190 ( 6.983 -3.485 3.713) 8.643 8.485 ( -10.323 -0.058 3.554) 10.917 8.705 ( -0.472 -0.153 -8.366) 8.381 8.920 ( 7.290 6.921 0.546) 10.066 9.287 ( -13.953 5.312 -0.250) 14.932 9.549 ( 8.207 0.338 -1.266) 8.311 9.826 ( 1.930 5.947 9.148) 11.081 10.635 ( 2.703 15.156 -4.667) 16.087 10.853 ( -4.333 7.034 7.317) 11.036 11.508 ( -8.290 0.544 0.653) 8.333 12.232 ( -4.205 7.585 3.471) 9.342 12.235 ( 0.571 -0.318 0.807) 1.039 13.662 ( -7.251 -0.353 -2.852) 7.799 14.314 ( -8.633 -9.472 1.251) 12.877 14.885 ( 4.511 0.704 -4.702) 6.553 15.492 ( -4.512 10.903 0.616) 11.816 17.944 ( 8.130 1.066 -2.116) 8.469 18.640 ( -8.209 2.710 -0.356) 8.652 19.151 ( 4.523 2.982 -1.447) 5.607 19.927 ( 13.497 7.888 -0.135) 15.633 ======================= Grid point 35 (26/324) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.429 ( -2.985 -3.323 4.575) 6.394 1.530 ( 6.058 -2.042 1.040) 6.477 1.706 ( -0.068 0.039 0.824) 0.828 2.005 ( 3.571 -4.795 -1.798) 6.243 2.147 ( 14.311 -8.369 -4.342) 17.138 2.561 ( 2.991 -9.942 -1.772) 10.532 2.929 ( -0.690 -3.790 5.820) 6.980 3.142 ( -0.657 -4.932 -7.109) 8.678 3.227 ( 1.009 -5.803 -5.071) 7.772 3.425 ( 1.409 -4.374 1.968) 4.999 3.571 ( -15.289 -2.643 2.503) 15.717 4.199 ( 4.672 -14.813 -1.800) 15.636 4.339 ( 4.036 -7.407 10.080) 13.144 4.661 ( -10.461 7.208 6.636) 14.333 4.883 ( 2.277 -13.499 -1.168) 13.740 5.153 ( 2.730 -18.004 -6.951) 19.491 5.339 ( 1.849 -0.640 -2.152) 2.909 5.807 ( -4.870 -12.685 1.414) 13.661 6.826 ( 1.389 -5.713 0.947) 5.955 7.343 ( -7.666 -6.325 -0.437) 9.948 7.390 ( 3.020 1.975 -1.889) 4.073 8.080 ( 3.697 3.953 -1.240) 5.553 8.307 ( 6.986 -3.543 2.419) 8.198 8.433 ( -9.079 1.296 3.216) 9.719 8.711 ( 2.001 -1.780 -6.340) 6.883 8.838 ( 5.193 4.659 -2.381) 7.371 9.108 ( -13.073 5.142 -0.286) 14.051 9.565 ( 5.437 1.836 -2.768) 6.371 9.715 ( -1.181 8.711 8.483) 12.216 10.380 ( 4.163 11.921 -2.293) 12.834 10.714 ( -2.324 8.344 7.665) 11.566 11.496 ( -3.633 -1.703 -0.852) 4.102 12.017 ( -10.120 10.058 3.724) 14.746 12.269 ( 1.770 -1.431 -0.386) 2.309 13.662 ( -2.550 -3.111 -4.147) 5.778 14.409 ( -6.422 -4.969 0.083) 8.120 14.873 ( 3.985 1.505 -2.703) 5.045 15.266 ( -4.358 10.554 0.820) 11.448 17.964 ( 7.717 0.678 -1.584) 7.907 18.560 ( -9.012 0.835 0.444) 9.062 19.109 ( 3.223 3.181 -0.749) 4.590 19.840 ( 10.252 7.832 0.231) 12.903 ======================= Grid point 36 (27/324) ======================= q-point: ( 0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.465 ( -4.225 -1.563 3.575) 5.751 1.579 ( 5.494 -0.420 -1.750) 5.781 1.703 ( -0.812 0.363 1.164) 1.465 2.067 ( 1.481 -1.482 -0.298) 2.116 2.386 ( 12.683 -9.299 -2.579) 15.936 2.773 ( 2.430 -11.487 -4.264) 12.492 2.974 ( -1.522 0.586 1.797) 2.427 3.137 ( -1.382 -0.973 -4.098) 4.433 3.391 ( -0.796 -9.764 1.979) 9.995 3.541 ( -9.124 -2.844 1.936) 9.751 3.553 ( 2.809 -5.715 -4.029) 7.536 4.252 ( -0.032 1.953 -1.330) 2.363 4.411 ( -4.010 10.329 5.160) 12.223 4.516 ( -2.814 4.822 8.891) 10.499 5.193 ( 7.359 -15.825 1.934) 17.559 5.392 ( 1.670 -8.941 -4.539) 10.165 5.531 ( -0.350 -16.789 -2.785) 17.022 6.033 ( -4.147 -12.529 0.417) 13.204 6.957 ( -0.451 -7.535 3.690) 8.402 7.338 ( -4.507 -0.858 -3.803) 5.959 7.454 ( -1.222 -4.965 -0.494) 5.137 8.021 ( 7.278 3.912 -1.466) 8.392 8.363 ( -5.656 1.631 -0.784) 5.938 8.377 ( 4.440 2.694 4.749) 7.038 8.687 ( 5.778 3.572 -1.205) 6.899 8.814 ( -3.928 -0.848 -3.880) 5.586 8.996 ( -8.732 -0.259 -0.255) 8.739 9.471 ( -0.968 8.272 0.128) 8.330 9.601 ( -0.575 2.954 -3.164) 4.366 10.218 ( 6.276 8.988 3.644) 11.552 10.573 ( -0.306 8.080 7.883) 11.292 11.464 ( 0.635 5.591 -1.607) 5.852 11.857 ( -10.641 -0.151 1.237) 10.714 12.300 ( 1.095 -1.058 -0.238) 1.541 13.710 ( -0.395 -3.608 -3.335) 4.929 14.453 ( -4.122 -3.096 -0.313) 5.164 14.854 ( 2.938 1.790 -1.357) 3.699 15.069 ( -3.670 8.111 1.135) 8.975 17.980 ( 5.940 1.160 -0.998) 6.134 18.524 ( -7.326 -1.396 0.503) 7.475 19.063 ( 1.696 2.691 -0.463) 3.214 19.741 ( 6.990 7.417 0.272) 10.195 ======================= Grid point 37 (28/324) ======================= q-point: ( 0.57 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.477 ( -3.730 -0.907 2.588) 4.629 1.600 ( 4.676 0.099 -2.558) 5.331 1.692 ( -1.072 0.572 0.778) 1.442 2.088 ( 0.831 -0.374 -0.071) 0.914 2.563 ( 5.945 -2.738 0.645) 6.577 2.897 ( 0.007 -0.999 -4.544) 4.653 3.017 ( 0.376 -9.428 -2.390) 9.734 3.167 ( 2.869 -1.287 1.471) 3.471 3.501 ( -11.663 -3.321 4.066) 12.790 3.620 ( -1.813 -10.888 -2.884) 11.409 3.678 ( 9.115 -4.019 -5.813) 11.534 4.162 ( -6.138 13.088 4.721) 15.207 4.181 ( 1.499 8.211 8.865) 12.176 4.400 ( -1.406 4.189 -2.933) 5.304 5.460 ( 1.590 -6.356 -0.836) 6.605 5.549 ( 2.916 -7.995 0.595) 8.531 5.796 ( 0.361 -10.987 -0.928) 11.032 6.209 ( -2.470 -7.331 -0.293) 7.742 7.134 ( -1.706 -10.540 3.832) 11.345 7.345 ( -4.942 -4.007 -3.637) 7.329 7.506 ( 1.009 0.253 -0.694) 1.250 8.009 ( 10.666 2.776 -0.555) 11.035 8.277 ( -0.461 5.574 3.812) 6.769 8.320 ( 0.336 2.453 -2.446) 3.481 8.652 ( -3.658 3.957 -0.512) 5.413 8.789 ( -1.304 -1.767 -0.456) 2.243 9.001 ( -5.728 -2.008 4.413) 7.505 9.356 ( -0.844 0.469 -8.583) 8.637 9.545 ( -3.109 0.490 -4.936) 5.854 10.091 ( 5.274 10.547 7.598) 14.028 10.478 ( 3.616 4.652 6.287) 8.617 11.320 ( -2.108 6.413 -1.741) 6.971 11.898 ( -3.499 -5.994 -0.799) 6.986 12.317 ( 0.431 -0.416 -0.199) 0.631 13.759 ( -0.029 -2.359 -1.763) 2.945 14.496 ( -1.608 -3.258 0.264) 3.642 14.828 ( 1.841 1.785 -0.985) 2.746 14.939 ( -2.553 4.081 1.109) 4.940 17.970 ( 2.810 2.143 -0.348) 3.551 18.542 ( -3.668 -3.326 0.181) 4.954 19.028 ( 0.465 1.383 -0.262) 1.483 19.636 ( 3.535 6.740 0.178) 7.613 ======================= Grid point 38 (29/324) ======================= q-point: (-0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.477 ( -2.718 -0.133 1.696) 3.206 1.612 ( 3.856 0.102 -2.344) 4.514 1.677 ( -1.020 0.532 -0.033) 1.151 2.092 ( 0.350 0.227 0.154) 0.445 2.513 ( -2.196 7.698 0.965) 8.063 2.953 ( 1.453 -3.496 1.549) 4.090 3.157 ( 1.578 -3.475 -3.591) 5.241 3.216 ( 5.690 -1.671 1.558) 6.131 3.501 ( -9.305 -1.686 1.490) 9.573 3.757 ( 6.764 -2.838 -6.831) 10.023 3.818 ( -0.675 -8.311 -1.679) 8.505 3.905 ( -5.185 9.273 3.097) 11.066 4.022 ( 2.233 10.098 6.970) 12.472 4.406 ( -1.285 -5.492 -2.837) 6.313 5.458 ( -1.498 4.855 -1.544) 5.310 5.667 ( 2.487 -1.003 1.885) 3.278 5.926 ( 1.084 -2.367 0.722) 2.701 6.268 ( -1.428 -0.028 -1.052) 1.773 7.329 ( -0.443 -7.016 1.834) 7.265 7.411 ( -1.809 -1.274 -1.297) 2.564 7.453 ( -0.432 -1.539 -0.841) 1.806 7.932 ( 9.152 11.098 0.715) 14.403 8.289 ( 3.388 1.510 -2.429) 4.434 8.314 ( 1.356 -9.014 1.819) 9.295 8.496 ( -11.934 6.265 1.549) 13.567 8.858 ( 0.945 -4.280 -0.898) 4.474 9.032 ( 0.331 -1.071 7.234) 7.320 9.349 ( -4.572 -2.749 -14.276) 15.240 9.560 ( -3.520 -6.100 -1.559) 7.213 9.915 ( 3.171 12.048 6.826) 14.205 10.479 ( 6.246 0.236 4.151) 7.503 11.241 ( -3.008 -0.577 -1.850) 3.578 11.997 ( 1.372 -4.899 -1.474) 5.296 12.319 ( -0.009 0.239 -0.130) 0.272 13.782 ( -0.469 -0.515 -0.107) 0.705 14.562 ( 0.445 -3.610 1.659) 3.998 14.799 ( 0.898 1.657 -1.546) 2.438 14.905 ( -1.163 -1.447 0.605) 1.952 17.930 ( 0.134 2.638 0.098) 2.644 18.603 ( -0.154 -3.920 -0.129) 3.925 19.021 ( 0.034 -0.674 0.018) 0.675 19.527 ( -0.063 5.757 -0.014) 5.757 ======================= Grid point 39 (30/324) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.459 ( -1.805 1.498 0.783) 2.473 1.622 ( 3.114 0.082 -1.769) 3.582 1.666 ( -0.614 -0.016 -0.573) 0.841 2.084 ( 0.100 0.843 0.272) 0.891 2.312 ( -3.999 11.861 1.559) 12.614 2.983 ( 0.960 1.729 0.827) 2.143 3.085 ( 0.914 10.526 0.471) 10.576 3.314 ( 4.934 -3.804 2.945) 6.892 3.479 ( -5.475 0.546 1.701) 5.759 3.652 ( 0.614 10.921 0.583) 10.954 3.805 ( -1.076 -2.139 -7.994) 8.345 3.957 ( 3.075 -1.370 4.725) 5.802 4.059 ( -1.125 -12.515 -2.992) 12.917 4.510 ( -0.507 -4.848 -1.730) 5.172 5.281 ( -1.229 11.530 -0.430) 11.603 5.617 ( 0.727 7.414 1.358) 7.572 5.901 ( 1.888 6.202 2.124) 6.822 6.187 ( -1.347 7.237 -1.925) 7.609 7.245 ( 2.526 10.235 0.209) 10.544 7.423 ( -1.199 -1.372 0.238) 1.837 7.651 ( 2.076 -11.353 -0.673) 11.561 7.769 ( 1.362 7.080 1.319) 7.329 8.226 ( -0.991 6.198 -3.408) 7.142 8.379 ( -6.058 -0.092 2.796) 6.673 8.574 ( 5.896 -13.893 1.632) 15.180 8.921 ( -2.608 -2.342 -0.387) 3.527 9.088 ( 4.176 -1.229 5.911) 7.341 9.311 ( -6.116 -1.278 -11.210) 12.834 9.636 ( -2.165 2.463 1.563) 3.633 9.827 ( 0.684 -6.091 1.681) 6.355 10.539 ( 4.930 -2.206 1.504) 5.606 11.304 ( -1.589 -7.734 -1.262) 7.996 12.078 ( 3.033 -2.871 -1.518) 4.444 12.309 ( 0.001 0.860 0.056) 0.862 13.778 ( -0.731 0.499 0.991) 1.329 14.640 ( 2.138 -3.012 3.075) 4.806 14.763 ( -0.762 1.464 -2.407) 2.919 14.986 ( 0.229 -7.036 -0.042) 7.040 17.879 ( -1.046 2.427 0.270) 2.657 18.675 ( 1.571 -3.193 -0.375) 3.578 19.059 ( 1.212 -3.107 0.514) 3.374 19.421 ( -3.623 4.360 -0.294) 5.676 ======================= Grid point 40 (31/324) ======================= q-point: (-0.21 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.401 ( -1.102 4.151 0.079) 4.295 1.629 ( 2.790 0.280 -1.721) 3.290 1.665 ( -0.402 -0.119 -0.173) 0.454 2.043 ( -2.816 14.091 1.294) 14.427 2.063 ( -0.821 2.417 0.607) 2.624 2.824 ( 0.592 15.778 0.431) 15.795 2.919 ( -0.090 5.622 0.075) 5.624 3.373 ( 0.710 0.037 -0.246) 0.752 3.413 ( 0.150 6.503 1.187) 6.612 3.537 ( 0.065 1.649 6.366) 6.577 3.795 ( -1.517 -0.327 -7.488) 7.647 4.055 ( 2.649 -4.610 -0.122) 5.318 4.257 ( -0.898 -6.112 0.384) 6.190 4.484 ( -1.192 6.076 -2.693) 6.752 5.107 ( 0.295 3.861 0.634) 3.924 5.424 ( -0.197 12.808 0.711) 12.829 5.737 ( 2.114 12.624 2.589) 13.059 5.980 ( -1.427 12.624 -2.159) 12.887 7.066 ( 1.388 9.818 0.405) 9.924 7.418 ( -0.180 0.862 0.374) 0.956 7.633 ( 2.450 5.573 0.467) 6.106 7.920 ( -0.055 -11.940 0.187) 11.942 8.080 ( -2.981 4.926 -1.744) 6.016 8.386 ( -2.085 -0.659 0.430) 2.229 8.828 ( 11.021 -1.998 -0.874) 11.235 8.933 ( -8.219 -6.272 4.132) 11.134 9.163 ( 3.275 -4.020 3.382) 6.191 9.270 ( -4.773 0.129 -7.678) 9.041 9.568 ( 0.148 1.084 0.265) 1.126 10.062 ( -1.001 -15.268 1.060) 15.337 10.618 ( 2.149 -4.240 -0.449) 4.774 11.490 ( 0.259 -11.994 -0.366) 12.002 12.122 ( 1.786 -0.851 -1.024) 2.227 12.287 ( 0.286 1.591 0.043) 1.617 13.774 ( -0.313 -0.331 0.971) 1.072 14.674 ( 2.411 3.262 1.351) 4.275 14.761 ( -1.572 -4.065 -0.788) 4.429 15.156 ( 0.601 -10.334 -0.161) 10.352 17.835 ( -0.935 1.688 0.229) 1.943 18.732 ( 1.316 -2.165 -0.462) 2.575 19.152 ( 4.648 -4.721 1.282) 6.748 19.326 ( -7.048 2.430 -0.867) 7.505 ======================= Grid point 41 (32/324) ======================= q-point: (-0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.282 ( -0.000 8.534 0.000) 8.534 1.626 ( -0.000 0.912 0.000) 0.912 1.628 ( -0.000 7.519 0.000) 7.519 1.765 ( -0.000 10.220 0.000) 10.220 2.019 ( -0.000 2.993 0.000) 2.993 2.532 ( -0.000 14.537 0.000) 14.537 2.797 ( -0.000 6.858 0.000) 6.858 3.281 ( -0.000 7.309 0.000) 7.309 3.361 ( -0.000 0.830 0.000) 0.830 3.492 ( -0.000 8.130 0.000) 8.130 3.744 ( -0.000 4.468 0.000) 4.468 4.029 ( -0.000 20.575 0.000) 20.575 4.101 ( -0.000 1.831 0.000) 1.831 4.558 ( 0.000 -10.239 -0.000) 10.239 5.103 ( -0.000 0.290 0.000) 0.290 5.177 ( -0.000 12.229 0.000) 12.229 5.487 ( -0.000 14.022 0.000) 14.022 5.734 ( -0.000 10.657 0.000) 10.657 6.890 ( -0.000 9.488 0.000) 9.488 7.401 ( -0.000 2.015 0.000) 2.015 7.570 ( -0.000 0.573 0.000) 0.573 7.904 ( -0.000 6.563 0.000) 6.563 8.232 ( 0.000 -15.015 -0.000) 15.015 8.342 ( -0.000 5.326 0.000) 5.326 8.791 ( -0.000 2.979 0.000) 2.979 9.052 ( 0.000 -3.121 -0.000) 3.121 9.202 ( -0.000 2.581 0.000) 2.581 9.339 ( 0.000 -11.599 -0.000) 11.599 9.596 ( 0.000 -2.669 -0.000) 2.669 10.356 ( 0.000 -15.359 -0.000) 15.359 10.723 ( 0.000 -6.522 -0.000) 6.522 11.730 ( 0.000 -12.794 -0.000) 12.794 12.119 ( -0.000 1.546 0.000) 1.546 12.250 ( -0.000 2.326 0.000) 2.326 13.803 ( 0.000 -2.748 -0.000) 2.748 14.594 ( -0.000 5.375 0.000) 5.375 14.847 ( 0.000 -4.747 -0.000) 4.747 15.366 ( 0.000 -11.480 -0.000) 11.480 17.810 ( -0.000 0.625 0.000) 0.625 18.769 ( 0.000 -1.497 -0.000) 1.497 19.245 ( -0.000 2.227 0.000) 2.227 19.295 ( 0.000 -6.877 -0.000) 6.877 ======================= Grid point 46 (33/324) ======================= q-point: ( 0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.822 ( 20.674 0.000 5.926) 21.506 0.916 ( 20.302 0.000 11.363) 23.266 1.490 ( 35.418 0.000 5.668) 35.868 1.659 ( 2.956 0.000 -0.106) 2.958 1.769 ( 1.313 0.000 -5.736) 5.884 2.096 ( 1.519 0.000 -1.105) 1.879 2.404 ( 6.578 0.000 3.928) 7.661 2.691 ( -5.928 -0.000 -7.407) 9.487 2.706 ( -2.528 -0.000 6.619) 7.086 2.831 ( 3.518 0.000 4.408) 5.640 3.030 ( -11.058 -0.000 1.775) 11.199 3.500 ( -2.432 -0.000 5.994) 6.468 3.579 ( 5.166 0.000 3.356) 6.160 4.241 ( -3.717 -0.000 -18.223) 18.599 4.688 ( -4.043 -0.000 -19.207) 19.628 4.988 ( -7.410 -0.000 8.859) 11.549 5.502 ( -9.247 -0.000 -9.342) 13.145 5.679 ( 6.285 0.000 14.767) 16.049 6.269 ( 2.727 0.000 0.093) 2.728 6.992 ( -2.652 -0.000 0.722) 2.748 7.666 ( 7.222 0.000 -1.410) 7.358 7.976 ( 10.521 0.000 -16.368) 19.457 8.111 ( 4.407 0.000 -1.593) 4.686 8.220 ( -4.515 -0.000 0.828) 4.590 8.607 ( 0.327 0.000 2.528) 2.549 9.304 ( -2.263 -0.000 4.727) 5.241 9.364 ( -6.099 -0.000 -1.292) 6.234 9.662 ( 13.022 0.000 9.897) 16.356 9.819 ( 4.534 0.000 -0.276) 4.542 10.959 ( -0.592 -0.000 4.535) 4.573 11.466 ( -11.017 -0.000 -4.934) 12.071 11.950 ( -11.673 -0.000 2.187) 11.876 12.320 ( -1.177 -0.000 -1.067) 1.589 12.630 ( 0.014 0.000 1.085) 1.085 13.108 ( -6.043 -0.000 22.197) 23.005 13.822 ( -20.488 -0.000 9.324) 22.509 14.832 ( 8.567 0.000 -6.744) 10.903 15.883 ( -4.275 -0.000 1.497) 4.530 17.980 ( 8.539 0.000 -4.623) 9.711 18.877 ( -0.022 -0.000 -7.215) 7.215 19.261 ( 2.378 0.000 -8.126) 8.467 20.201 ( 19.671 0.000 -10.688) 22.387 ======================= Grid point 47 (34/324) ======================= q-point: ( 0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.998 ( 18.141 -5.865 5.650) 19.885 1.132 ( 16.194 -7.098 10.288) 20.456 1.671 ( 7.244 -0.458 -1.851) 7.490 1.710 ( 11.092 -2.777 -4.603) 12.326 1.812 ( 10.895 -4.108 1.408) 11.729 2.174 ( 3.610 -6.337 -0.748) 7.332 2.512 ( -0.078 -8.826 4.389) 9.858 2.722 ( 1.194 -6.076 -2.416) 6.647 2.752 ( -5.248 -7.232 -1.766) 9.108 2.926 ( 10.119 -4.101 9.253) 14.312 3.064 ( -10.580 -8.536 0.303) 13.598 3.503 ( -3.590 0.017 8.567) 9.289 3.708 ( 5.203 -9.222 2.951) 10.992 4.212 ( -3.553 -5.073 -15.901) 17.065 4.606 ( -4.404 -0.353 -17.582) 18.129 4.967 ( -9.389 0.594 8.283) 12.534 5.420 ( -9.163 0.044 -9.769) 13.394 5.720 ( 5.861 3.534 12.448) 14.206 6.386 ( 2.802 -9.253 -1.397) 9.769 7.004 ( -3.533 -2.688 0.763) 4.504 7.672 ( 8.338 3.358 -1.134) 9.060 7.921 ( 9.095 0.460 -6.772) 11.349 8.177 ( -0.409 1.965 3.220) 3.794 8.298 ( -1.603 -10.540 -5.599) 12.042 8.656 ( -0.620 -3.309 0.734) 3.445 9.214 ( -1.111 6.456 0.946) 6.619 9.364 ( -8.314 -1.206 -0.247) 8.404 9.648 ( 8.967 6.643 2.997) 11.555 9.908 ( 5.917 -2.547 4.850) 8.064 10.956 ( 0.298 1.759 3.481) 3.911 11.286 ( -9.868 11.496 -2.509) 15.357 11.771 ( -8.346 11.921 4.535) 15.243 12.297 ( 2.243 4.683 0.838) 5.260 12.377 ( 1.263 6.053 2.330) 6.608 13.610 ( -11.860 -29.641 8.256) 32.976 13.723 ( -16.979 2.168 4.600) 17.724 14.867 ( 7.645 -0.992 -6.149) 9.862 15.816 ( -4.668 5.004 1.167) 6.942 17.999 ( 9.062 1.299 -3.601) 9.837 18.795 ( -4.304 4.280 -6.962) 9.237 19.246 ( 5.290 1.669 -2.494) 6.082 20.205 ( 16.041 5.728 -4.552) 17.630 ======================= Grid point 48 (35/324) ======================= q-point: ( 0.36 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.222 ( 10.535 -6.947 5.217) 13.655 1.370 ( 11.787 -6.548 7.745) 15.550 1.694 ( 2.386 -0.479 -0.775) 2.553 1.777 ( 6.755 -3.779 -7.614) 10.857 1.959 ( 11.827 -3.631 0.297) 12.376 2.301 ( 2.807 -5.053 0.318) 5.789 2.690 ( -8.733 -9.076 4.440) 13.355 2.897 ( 4.612 -7.473 0.941) 8.832 2.916 ( 4.828 -12.192 -11.453) 17.410 3.140 ( -6.456 -10.961 5.130) 13.717 3.280 ( 7.491 -19.271 6.383) 21.639 3.520 ( -4.652 -0.336 11.849) 12.734 3.955 ( 4.890 -12.326 0.055) 13.260 4.319 ( -4.916 -13.538 -10.737) 17.965 4.580 ( -1.229 -4.813 -13.238) 14.140 4.913 ( -11.609 1.918 5.717) 13.081 5.369 ( -6.227 -2.417 -7.503) 10.046 5.689 ( 3.817 5.842 9.226) 11.568 6.578 ( 4.249 -8.979 -2.618) 10.273 7.063 ( -5.775 -5.796 1.401) 8.301 7.616 ( 8.037 6.833 -0.102) 10.550 8.005 ( 7.022 -5.504 -4.494) 9.990 8.187 ( 4.020 -1.329 2.319) 4.827 8.406 ( -8.145 -4.349 2.089) 9.467 8.687 ( -0.168 -0.098 -3.146) 3.152 9.087 ( 2.229 7.049 0.259) 7.398 9.291 ( -13.530 2.973 -0.765) 13.874 9.604 ( 9.252 2.268 -3.000) 9.987 9.949 ( 2.932 2.750 7.578) 8.578 10.893 ( 1.599 8.600 -1.125) 8.819 10.990 ( -6.993 11.341 4.452) 14.048 11.554 ( -5.160 7.787 2.979) 9.805 12.244 ( 2.835 1.480 0.063) 3.199 12.330 ( -3.979 3.150 2.414) 5.621 13.616 ( -12.197 1.275 0.871) 12.294 14.016 ( -9.620 -18.140 2.261) 20.657 14.899 ( 6.204 -0.298 -5.163) 8.077 15.660 ( -4.778 8.941 0.736) 10.165 18.008 ( 9.364 1.627 -2.585) 9.849 18.661 ( -7.511 4.285 -3.523) 9.338 19.230 ( 5.785 2.758 -0.494) 6.427 20.143 ( 12.759 7.644 -1.107) 14.915 ======================= Grid point 49 (36/324) ======================= q-point: ( 0.43 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.372 ( 2.200 -3.692 4.609) 6.302 1.527 ( 7.757 -2.967 3.048) 8.847 1.706 ( 0.088 -0.152 0.403) 0.440 1.907 ( 7.907 -7.136 -4.616) 11.608 2.089 ( 12.814 -4.471 -2.118) 13.736 2.419 ( 1.617 -6.631 1.009) 6.899 2.817 ( -6.243 -7.533 4.295) 10.685 3.043 ( 4.702 -5.177 -0.575) 7.017 3.089 ( 3.204 -7.792 -12.211) 14.835 3.284 ( -9.942 -9.242 -0.135) 13.575 3.518 ( -6.890 0.636 12.172) 14.001 3.834 ( 12.494 -25.595 7.479) 29.447 4.180 ( -0.033 -10.663 -4.623) 11.622 4.580 ( -2.955 -17.246 -2.271) 17.644 4.688 ( -3.966 -4.627 -0.146) 6.096 4.858 ( -4.781 -6.526 -3.840) 8.955 5.392 ( 1.070 -1.299 -3.164) 3.584 5.632 ( -3.027 0.325 4.454) 5.395 6.737 ( 4.875 -6.157 -1.215) 7.946 7.163 ( -7.895 -7.612 1.287) 11.042 7.511 ( 6.851 7.804 0.046) 10.384 8.113 ( 5.009 -2.452 -3.177) 6.418 8.270 ( 5.147 -3.803 0.368) 6.410 8.412 ( -9.409 -0.542 6.590) 11.500 8.661 ( 1.670 0.207 -7.037) 7.235 8.981 ( 3.548 6.209 0.673) 7.183 9.129 ( -15.262 4.989 -1.334) 16.112 9.618 ( 9.495 1.140 -5.151) 10.863 9.889 ( -1.840 6.794 9.365) 11.715 10.637 ( 2.232 14.061 -1.606) 14.327 10.856 ( -3.329 6.030 5.536) 8.837 11.451 ( -3.777 1.152 1.050) 4.086 12.186 ( -7.605 9.755 3.533) 12.864 12.256 ( 2.320 -0.787 -0.630) 2.529 13.574 ( -6.053 -2.278 -2.667) 6.996 14.237 ( -7.227 -10.134 0.783) 12.472 14.909 ( 5.014 0.825 -3.660) 6.262 15.448 ( -4.569 10.795 0.606) 11.738 18.022 ( 9.329 1.331 -1.915) 9.616 18.545 ( -9.196 2.597 -0.990) 9.607 19.195 ( 4.562 3.743 -0.131) 5.903 20.047 ( 9.815 8.397 -0.080) 12.917 ======================= Grid point 50 (37/324) ======================= q-point: ( 0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.429 ( -1.861 -1.532 3.468) 4.224 1.597 ( 6.069 -0.642 -0.516) 6.125 1.706 ( -1.073 0.112 0.955) 1.441 2.034 ( 3.227 -3.434 -0.415) 4.731 2.276 ( 15.306 -8.450 -3.961) 17.927 2.580 ( 1.089 -9.273 0.350) 9.344 2.932 ( -4.722 -5.367 5.310) 8.905 3.087 ( 1.479 -0.725 -11.463) 11.581 3.229 ( 1.986 -8.420 -0.816) 8.689 3.389 ( -12.375 -6.572 -0.406) 14.018 3.525 ( 3.458 -0.772 8.647) 9.345 4.182 ( -2.001 -6.116 -7.967) 10.241 4.441 ( 3.986 -13.520 6.192) 15.395 4.579 ( -10.894 4.750 8.547) 14.639 4.936 ( 5.473 -16.901 1.672) 17.844 5.138 ( 2.131 -19.116 -5.560) 20.022 5.353 ( 3.621 2.948 -2.237) 5.177 5.749 ( -6.961 -13.234 0.191) 14.954 6.865 ( 3.867 -5.062 2.657) 6.902 7.252 ( -8.469 -5.442 -1.566) 10.188 7.419 ( 3.832 3.562 -0.568) 5.263 8.118 ( 5.707 2.833 -2.474) 6.835 8.335 ( -3.197 -1.125 -1.738) 3.809 8.421 ( 1.009 -1.637 8.390) 8.607 8.681 ( 1.704 -3.288 -7.735) 8.576 8.869 ( -0.330 7.235 0.462) 7.257 8.977 ( -9.541 2.974 -0.887) 10.033 9.597 ( 6.276 4.073 -5.897) 9.527 9.728 ( -5.616 10.440 7.043) 13.789 10.433 ( 6.252 9.902 1.887) 11.861 10.732 ( -2.697 7.039 5.389) 9.266 11.471 ( 0.018 -3.436 -0.980) 3.573 11.929 ( -10.264 12.176 2.457) 16.114 12.285 ( 1.588 -1.175 -0.397) 2.015 13.613 ( -2.170 -4.600 -3.230) 6.025 14.350 ( -5.017 -5.594 0.121) 7.515 14.899 ( 3.878 1.625 -2.188) 4.740 15.227 ( -4.024 10.227 0.819) 11.021 18.038 ( 8.327 1.455 -1.401) 8.568 18.469 ( -8.966 0.130 0.171) 8.969 19.139 ( 2.875 4.034 -0.146) 4.956 19.931 ( 7.036 8.534 0.144) 11.062 ======================= Grid point 51 (38/324) ======================= q-point: ( 0.57 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.448 ( -2.650 -0.999 2.348) 3.679 1.622 ( 4.722 0.315 -1.859) 5.084 1.698 ( -1.432 0.364 1.126) 1.858 2.082 ( 1.461 -0.959 0.019) 1.748 2.503 ( 11.977 -7.859 -1.200) 14.375 2.767 ( 0.095 -9.863 -2.630) 10.208 2.946 ( -3.882 1.348 -0.383) 4.128 3.123 ( 2.821 -4.874 -2.888) 6.328 3.390 ( -8.581 -4.131 4.120) 10.376 3.415 ( -4.963 -8.427 -0.866) 9.818 3.638 ( 10.781 -3.888 -0.580) 11.475 4.190 ( -8.532 -1.844 -4.389) 9.770 4.364 ( -5.271 9.436 3.414) 11.335 4.599 ( 3.685 8.211 8.500) 12.379 5.271 ( 4.629 -14.441 1.083) 15.204 5.388 ( 2.650 -8.956 -2.891) 9.778 5.517 ( 0.259 -17.400 -1.706) 17.485 5.986 ( -4.474 -13.799 -0.415) 14.512 6.994 ( 1.943 -5.918 5.527) 8.327 7.252 ( -6.064 -1.585 -5.298) 8.207 7.452 ( 0.686 -4.364 -0.255) 4.425 8.089 ( 7.448 2.531 -1.689) 8.046 8.313 ( -3.990 0.201 0.557) 4.033 8.454 ( 4.880 4.827 4.433) 8.172 8.713 ( 0.008 1.722 -0.737) 1.873 8.743 ( -5.244 0.472 -3.452) 6.296 8.919 ( -4.247 -0.933 -1.121) 4.490 9.468 ( -0.919 9.859 1.579) 10.026 9.556 ( -1.895 4.505 -5.297) 7.207 10.316 ( 6.427 8.379 5.122) 11.736 10.612 ( -0.628 6.035 5.065) 7.904 11.470 ( 2.725 7.880 -1.685) 8.506 11.756 ( -9.505 -3.087 0.471) 10.005 12.309 ( 0.870 -0.763 -0.231) 1.180 13.686 ( -0.515 -4.446 -2.277) 5.021 14.416 ( -2.748 -4.031 0.008) 4.879 14.875 ( 2.695 2.135 -1.262) 3.663 15.040 ( -3.181 7.652 1.069) 8.356 18.034 ( 5.235 2.570 -0.745) 5.879 18.456 ( -5.997 -2.894 0.294) 6.665 19.078 ( 1.356 3.394 -0.171) 3.659 19.802 ( 4.334 8.329 0.156) 9.390 ======================= Grid point 52 (39/324) ======================= q-point: ( 0.64 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.459 ( -2.041 -0.849 1.411) 2.623 1.629 ( 3.347 0.419 -1.854) 3.849 1.684 ( -1.303 0.673 0.721) 1.634 2.096 ( 0.621 -0.115 0.025) 0.632 2.617 ( 3.047 2.119 1.145) 3.884 2.877 ( 0.902 -4.675 -3.048) 5.654 3.001 ( -0.757 -8.743 -1.579) 8.917 3.225 ( 6.596 -3.022 0.552) 7.277 3.402 ( -11.173 -3.460 2.817) 12.031 3.594 ( -0.719 -10.573 -1.282) 10.675 3.735 ( 7.695 -1.968 -4.507) 9.132 4.107 ( -8.110 8.851 3.583) 12.528 4.237 ( 0.475 1.730 5.161) 5.464 4.386 ( 1.168 12.591 -1.911) 12.789 5.456 ( -0.156 -4.158 -1.374) 4.382 5.592 ( 2.974 -8.782 1.303) 9.363 5.797 ( 0.482 -11.555 -0.392) 11.572 6.182 ( -1.948 -8.093 -0.469) 8.337 7.152 ( -0.020 -8.967 4.446) 10.009 7.274 ( -3.602 -5.227 -4.368) 7.705 7.513 ( 0.785 -0.259 -0.344) 0.896 8.110 ( 8.695 -0.830 -0.282) 8.739 8.299 ( 0.752 3.664 2.123) 4.301 8.315 ( 0.855 6.740 -1.093) 6.881 8.577 ( -8.588 7.124 0.340) 11.164 8.794 ( 1.570 -3.267 -0.630) 3.678 8.964 ( -4.576 -6.035 1.917) 7.812 9.317 ( 0.721 5.117 -4.176) 6.644 9.484 ( -2.595 -0.003 -3.607) 4.444 10.176 ( 2.970 11.217 4.836) 12.570 10.549 ( 3.103 2.753 3.957) 5.732 11.287 ( -1.898 7.711 -1.506) 8.083 11.866 ( -1.684 -8.328 -0.796) 8.533 12.320 ( 0.280 -0.166 -0.157) 0.362 13.749 ( -0.144 -2.709 -1.000) 2.891 14.485 ( -0.832 -4.389 0.372) 4.483 14.840 ( 1.619 2.287 -0.940) 2.956 14.921 ( -2.029 3.604 0.935) 4.240 17.992 ( 1.740 3.387 -0.175) 3.812 18.511 ( -2.187 -4.851 0.060) 5.321 19.031 ( 0.329 1.788 -0.116) 1.822 19.665 ( 1.838 7.907 0.088) 8.118 ======================= Grid point 53 (40/324) ======================= q-point: (-0.29 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.465 ( -0.981 -0.150 0.616) 1.168 1.632 ( 1.824 0.175 -1.072) 2.123 1.667 ( -0.781 0.583 0.154) 0.986 2.096 ( 0.165 0.320 0.063) 0.365 2.501 ( -0.943 9.079 0.426) 9.138 2.972 ( 0.615 -3.456 0.892) 3.622 3.145 ( 0.230 -5.261 -1.804) 5.566 3.300 ( 7.365 -0.817 1.453) 7.551 3.413 ( -7.842 -2.784 -0.447) 8.333 3.776 ( 2.972 -0.986 -3.163) 4.451 3.800 ( -1.074 -11.623 -0.269) 11.675 3.881 ( -2.291 11.503 1.719) 11.854 4.079 ( 1.440 11.947 3.203) 12.452 4.377 ( -0.911 -7.324 -1.703) 7.574 5.440 ( -0.525 5.081 -0.556) 5.138 5.694 ( 0.992 -0.368 0.726) 1.283 5.939 ( 0.520 -3.122 0.351) 3.184 6.250 ( -0.695 0.062 -0.509) 0.863 7.342 ( 0.429 -6.566 1.904) 6.850 7.377 ( -1.782 -7.685 -1.933) 8.123 7.454 ( 0.363 3.247 -0.070) 3.268 8.018 ( 5.253 14.330 0.516) 15.272 8.310 ( 4.056 -2.344 -2.627) 5.371 8.334 ( 0.164 -8.868 0.672) 8.895 8.393 ( -8.414 6.462 2.095) 10.814 8.859 ( 0.040 -3.340 -0.174) 3.345 9.083 ( 0.419 -5.394 6.570) 8.510 9.235 ( -2.056 1.533 -9.181) 9.532 9.527 ( -1.324 -6.248 -0.710) 6.427 9.967 ( 1.056 12.285 2.455) 12.572 10.550 ( 2.854 0.303 1.880) 3.431 11.205 ( -1.561 -0.818 -0.965) 2.009 12.000 ( 0.610 -6.063 -0.654) 6.129 12.319 ( -0.004 0.302 -0.058) 0.307 13.778 ( -0.206 -0.650 -0.048) 0.684 14.573 ( 0.181 -4.761 0.794) 4.830 14.799 ( 0.487 2.419 -0.801) 2.594 14.899 ( -0.592 -1.904 0.327) 2.021 17.932 ( 0.060 3.308 0.044) 3.309 18.601 ( -0.069 -4.909 -0.058) 4.910 19.021 ( 0.015 -0.844 0.008) 0.844 19.526 ( -0.028 7.186 -0.006) 7.186 ======================= Grid point 54 (41/324) ======================= q-point: (-0.21 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.452 ( -0.000 1.610 0.000) 1.610 1.634 ( 0.000 -0.010 -0.000) 0.010 1.660 ( 0.000 -0.090 -0.000) 0.090 2.086 ( -0.000 0.846 0.000) 0.846 2.296 ( -0.000 12.311 0.000) 12.311 2.992 ( -0.000 1.716 0.000) 1.716 3.090 ( -0.000 10.516 0.000) 10.516 3.360 ( 0.000 -2.188 -0.000) 2.188 3.446 ( 0.000 -2.422 -0.000) 2.422 3.658 ( -0.000 10.288 0.000) 10.288 3.772 ( -0.000 0.498 0.000) 0.498 3.991 ( 0.000 -1.426 -0.000) 1.426 4.042 ( 0.000 -13.000 -0.000) 13.000 4.500 ( 0.000 -4.629 -0.000) 4.629 5.274 ( -0.000 11.178 0.000) 11.178 5.625 ( -0.000 7.725 0.000) 7.725 5.919 ( -0.000 5.432 0.000) 5.432 6.172 ( -0.000 7.692 0.000) 7.692 7.260 ( -0.000 10.018 0.000) 10.018 7.417 ( 0.000 -1.646 -0.000) 1.646 7.656 ( 0.000 -14.483 -0.000) 14.483 7.787 ( -0.000 10.483 0.000) 10.483 8.204 ( -0.000 8.035 0.000) 8.035 8.358 ( 0.000 -1.526 -0.000) 1.526 8.615 ( 0.000 -16.361 -0.000) 16.361 8.902 ( 0.000 -0.591 -0.000) 0.591 9.170 ( -0.000 1.088 0.000) 1.088 9.201 ( 0.000 -3.838 -0.000) 3.838 9.627 ( -0.000 0.557 0.000) 0.557 9.838 ( 0.000 -3.817 -0.000) 3.817 10.571 ( 0.000 -1.575 -0.000) 1.575 11.290 ( 0.000 -8.314 -0.000) 8.314 12.089 ( 0.000 -3.192 -0.000) 3.192 12.309 ( -0.000 0.752 0.000) 0.752 13.777 ( -0.000 0.381 0.000) 0.381 14.665 ( 0.000 -4.666 -0.000) 4.666 14.748 ( -0.000 2.983 0.000) 2.983 14.987 ( 0.000 -7.289 -0.000) 7.289 17.874 ( -0.000 2.665 0.000) 2.665 18.682 ( 0.000 -3.508 -0.000) 3.508 19.068 ( 0.000 -4.116 -0.000) 4.116 19.400 ( -0.000 5.951 0.000) 5.951 ======================= Grid point 61 (42/324) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.059 ( 18.149 0.000 5.052) 18.839 1.179 ( 17.228 0.000 9.858) 19.849 1.689 ( 2.516 0.000 0.368) 2.543 1.714 ( 5.836 0.000 -8.676) 10.456 1.878 ( 24.159 0.000 4.060) 24.498 2.111 ( 3.089 0.000 -1.327) 3.361 2.430 ( -8.405 -0.000 6.541) 10.651 2.585 ( -5.812 -0.000 -6.527) 8.740 2.723 ( 7.468 0.000 0.954) 7.528 2.919 ( -11.913 -0.000 0.952) 11.951 2.989 ( 11.441 0.000 10.069) 15.241 3.521 ( -0.856 -0.000 8.521) 8.564 3.646 ( 3.850 0.000 2.950) 4.850 4.105 ( -2.009 -0.000 -15.624) 15.752 4.516 ( -6.764 -0.000 -16.975) 18.273 4.944 ( -11.255 -0.000 7.379) 13.458 5.336 ( -9.822 -0.000 -11.264) 14.945 5.823 ( 5.555 0.000 11.242) 12.540 6.298 ( 2.807 0.000 0.078) 2.808 6.968 ( -2.723 -0.000 0.669) 2.804 7.755 ( 10.529 0.000 0.543) 10.543 7.987 ( 8.481 0.000 -11.502) 14.291 8.146 ( 4.474 0.000 -1.919) 4.869 8.192 ( -2.897 -0.000 1.948) 3.491 8.630 ( 0.533 0.000 3.340) 3.382 9.272 ( -7.082 -0.000 0.039) 7.082 9.293 ( -5.632 -0.000 -1.740) 5.894 9.852 ( 11.771 0.000 8.745) 14.664 9.860 ( 3.781 0.000 -0.244) 3.789 10.987 ( 1.245 0.000 3.102) 3.342 11.325 ( -10.214 -0.000 -4.218) 11.051 11.847 ( -10.615 -0.000 1.809) 10.768 12.301 ( -1.190 -0.000 -1.018) 1.566 12.637 ( 0.003 0.000 1.027) 1.027 13.180 ( -2.540 -0.000 14.517) 14.737 13.671 ( -16.555 -0.000 4.370) 17.122 14.882 ( 8.056 0.000 -5.078) 9.523 15.843 ( -4.919 -0.000 1.191) 5.061 18.049 ( 9.632 0.000 -3.283) 10.176 18.784 ( -6.553 -0.000 -9.333) 11.404 19.287 ( 6.306 0.000 -0.394) 6.319 20.322 ( 12.863 0.000 -4.364) 13.583 ======================= Grid point 62 (43/324) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.207 ( 15.358 -3.906 4.658) 16.517 1.343 ( 13.013 -5.021 7.737) 15.950 1.699 ( 2.131 0.015 -0.977) 2.344 1.730 ( 4.276 -1.893 -6.702) 8.173 1.995 ( 16.387 -0.219 0.772) 16.406 2.215 ( 4.276 -6.132 0.189) 7.478 2.473 ( -10.050 -8.168 5.899) 14.231 2.651 ( -3.885 -11.247 -5.567) 13.136 2.807 ( 8.417 -4.096 -1.445) 9.472 2.952 ( -8.857 -7.708 -1.395) 11.824 3.115 ( 9.802 -5.935 12.993) 17.324 3.553 ( 2.599 0.287 11.656) 11.946 3.773 ( 4.348 -9.581 1.890) 10.690 4.085 ( -2.940 -4.613 -14.109) 15.132 4.450 ( -5.701 -2.435 -14.412) 15.689 4.893 ( -13.752 0.951 5.467) 14.829 5.263 ( -8.153 -1.439 -10.094) 13.055 5.843 ( 4.739 4.145 8.970) 10.959 6.408 ( 2.816 -8.978 -1.017) 9.464 6.974 ( -3.200 -1.944 0.748) 3.818 7.777 ( 11.507 4.150 1.820) 12.367 7.972 ( 8.608 -0.225 -6.035) 10.515 8.184 ( 0.182 -0.588 -0.202) 0.648 8.265 ( -2.178 -7.093 0.276) 7.425 8.667 ( 0.999 -1.830 1.829) 2.774 9.181 ( -5.147 3.773 -2.041) 6.701 9.260 ( -9.857 0.848 -1.586) 10.020 9.744 ( 8.071 7.986 -0.256) 11.357 10.001 ( 4.887 -1.698 5.968) 7.899 10.984 ( 1.370 2.207 2.573) 3.656 11.176 ( -8.032 8.988 -1.984) 12.217 11.715 ( -6.872 8.539 2.999) 11.363 12.302 ( -0.984 0.042 -0.024) 0.985 12.412 ( 2.250 11.627 1.928) 11.999 13.560 ( -16.447 -21.961 20.438) 34.212 13.588 ( -3.416 -1.471 -12.100) 12.659 14.911 ( 6.966 -0.335 -4.310) 8.199 15.773 ( -4.807 5.055 0.879) 7.031 18.079 ( 10.078 1.221 -2.490) 10.452 18.682 ( -8.308 3.361 -6.833) 11.269 19.305 ( 6.418 1.705 0.636) 6.671 20.322 ( 10.367 4.928 -1.846) 11.626 ======================= Grid point 63 (44/324) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.352 ( 8.148 -2.775 4.099) 9.534 1.512 ( 8.119 -4.260 4.065) 10.030 1.707 ( 0.347 -0.038 0.249) 0.429 1.808 ( 7.933 -5.684 -6.015) 11.464 2.091 ( 13.311 -2.101 -0.731) 13.495 2.321 ( -1.593 -4.736 3.506) 6.104 2.633 ( -4.910 -9.873 2.205) 11.244 2.874 ( 1.027 -12.869 -8.154) 15.269 2.949 ( 2.618 -7.952 -1.327) 8.476 3.041 ( -10.724 -7.990 -0.661) 13.390 3.441 ( 4.406 -15.627 14.835) 21.993 3.621 ( 11.272 -2.665 11.258) 16.153 3.976 ( 2.441 -8.412 -7.619) 11.609 4.221 ( -3.763 -16.465 -4.578) 17.499 4.494 ( -1.310 -8.921 -9.398) 13.024 4.799 ( -14.956 1.910 2.014) 15.211 5.265 ( -4.911 -5.454 -6.300) 9.672 5.773 ( 2.880 7.860 6.315) 10.486 6.608 ( 4.152 -9.807 -2.087) 10.852 7.015 ( -5.159 -4.390 1.448) 6.927 7.724 ( 10.722 8.425 2.897) 13.940 8.053 ( 7.562 -4.621 -4.443) 9.914 8.223 ( 2.363 -2.942 -1.398) 4.024 8.346 ( -7.970 -3.557 5.084) 10.100 8.685 ( 2.168 1.386 -0.928) 2.736 9.078 ( -4.491 3.418 -3.073) 6.426 9.141 ( -11.283 5.061 -0.808) 12.393 9.682 ( 9.902 2.591 -3.937) 10.966 10.007 ( -0.594 3.917 6.515) 7.626 10.894 ( 0.654 11.105 -1.385) 11.210 10.961 ( -4.272 6.757 4.484) 9.166 11.534 ( -2.136 7.885 2.424) 8.521 12.267 ( 0.578 2.171 0.713) 2.357 12.300 ( -2.846 4.178 0.870) 5.130 13.509 ( -8.913 0.053 0.341) 8.920 13.945 ( -6.099 -17.508 1.224) 18.581 14.933 ( 5.439 0.185 -3.454) 6.445 15.616 ( -4.343 8.939 0.564) 9.955 18.096 ( 10.285 1.717 -1.804) 10.582 18.551 ( -9.399 3.578 -3.237) 10.565 19.289 ( 5.115 3.386 0.603) 6.164 20.246 ( 8.154 7.504 -0.391) 11.088 ======================= Grid point 64 (45/324) ======================= q-point: ( 0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.417 ( 1.716 -0.722 2.938) 3.478 1.608 ( 5.696 -1.675 0.492) 5.957 1.704 ( -1.073 0.163 0.663) 1.272 1.962 ( 6.459 -6.370 -1.922) 9.273 2.216 ( 14.406 -4.791 -3.349) 15.547 2.430 ( -3.164 -7.064 4.262) 8.836 2.791 ( -2.295 -8.024 3.331) 8.986 3.018 ( 0.598 -5.030 -13.177) 14.117 3.088 ( 1.625 -6.687 -0.569) 6.905 3.171 ( -11.309 -10.171 2.029) 15.345 3.585 ( 2.562 0.308 14.984) 15.205 3.986 ( 8.042 -13.770 -0.592) 15.958 4.125 ( 0.128 -16.569 -5.511) 17.463 4.547 ( -6.326 -12.626 4.766) 14.905 4.653 ( -1.862 -8.558 -0.657) 8.783 4.788 ( -2.491 -13.852 -5.450) 15.092 5.376 ( 0.054 -8.237 -3.430) 8.923 5.631 ( -1.964 7.753 3.500) 8.730 6.787 ( 5.613 -7.020 -0.631) 9.010 7.089 ( -7.489 -6.181 1.037) 9.766 7.595 ( 7.340 10.632 1.963) 13.068 8.146 ( 5.637 -1.989 -3.901) 7.138 8.284 ( -1.121 -2.538 -1.816) 3.316 8.382 ( -4.503 -3.439 5.916) 8.192 8.659 ( 4.057 1.319 -2.662) 5.028 8.964 ( -13.836 4.395 -1.779) 14.626 9.003 ( 0.417 4.471 -0.160) 4.493 9.685 ( 10.378 2.433 -6.378) 12.422 9.899 ( -6.429 7.960 7.767) 12.846 10.670 ( 4.856 11.584 0.350) 12.566 10.845 ( -4.612 5.828 3.643) 8.277 11.437 ( -0.409 1.683 0.717) 1.874 12.129 ( -6.516 11.032 2.078) 12.980 12.273 ( 1.657 -0.590 -0.441) 1.814 13.508 ( -3.907 -3.605 -1.884) 5.640 14.178 ( -4.703 -10.373 0.416) 11.396 14.937 ( 3.959 1.007 -2.341) 4.708 15.409 ( -3.584 10.678 0.486) 11.274 18.111 ( 9.945 1.763 -1.388) 10.195 18.440 ( -9.789 2.013 -0.807) 10.026 19.237 ( 3.302 4.482 0.281) 5.574 20.128 ( 5.868 8.636 0.023) 10.441 ======================= Grid point 65 (46/324) ======================= q-point: ( 0.57 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.433 ( -0.717 -0.268 1.784) 1.941 1.646 ( 4.512 0.093 -1.158) 4.660 1.697 ( -1.916 0.055 1.090) 2.205 2.062 ( 2.229 -2.370 0.046) 3.254 2.407 ( 14.207 -8.177 -3.704) 16.806 2.578 ( -4.012 -9.128 2.949) 10.398 2.916 ( -4.337 -3.794 4.923) 7.579 3.038 ( 4.231 -3.069 -12.103) 13.183 3.238 ( -2.461 -8.036 0.623) 8.427 3.264 ( -9.018 -5.864 1.996) 10.941 3.664 ( 10.824 -0.896 8.917) 14.053 4.062 ( -9.241 -3.909 -9.954) 14.134 4.467 ( -1.600 0.482 1.240) 2.081 4.586 ( -0.458 -12.319 8.027) 14.710 4.991 ( 2.852 -18.156 1.244) 18.421 5.128 ( 1.326 -20.329 -3.266) 20.632 5.385 ( 4.487 6.404 -1.276) 7.923 5.675 ( -6.487 -14.609 -0.328) 15.988 6.934 ( 5.469 -5.255 3.323) 8.281 7.154 ( -7.855 -4.253 -2.434) 9.258 7.454 ( 2.790 5.543 0.144) 6.207 8.162 ( 5.678 1.648 -2.949) 6.607 8.288 ( -4.503 -0.508 1.000) 4.640 8.482 ( 1.621 -5.178 4.300) 6.923 8.666 ( 3.705 -0.326 -4.588) 5.906 8.803 ( -9.974 5.565 0.273) 11.424 8.937 ( 0.147 2.857 -0.500) 2.904 9.624 ( 7.765 6.558 -8.109) 13.003 9.699 ( -8.400 10.993 7.602) 15.786 10.522 ( 7.153 8.676 2.662) 11.555 10.719 ( -4.516 5.614 2.324) 7.571 11.481 ( 2.286 -5.295 -0.670) 5.806 11.845 ( -7.473 14.628 1.213) 16.471 12.296 ( 0.944 -1.004 -0.249) 1.401 13.579 ( -1.245 -5.490 -1.762) 5.899 14.310 ( -2.732 -6.061 0.089) 6.649 14.922 ( 2.557 1.760 -1.285) 3.360 15.196 ( -2.601 10.026 0.574) 10.373 18.114 ( 7.278 2.738 -0.948) 7.834 18.382 ( -7.515 -1.150 0.184) 7.605 19.163 ( 1.655 4.643 0.038) 4.929 19.987 ( 3.559 8.928 0.081) 9.612 ======================= Grid point 66 (47/324) ======================= q-point: ( 0.64 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.440 ( -0.870 -0.604 0.809) 1.333 1.650 ( 2.396 0.766 -1.110) 2.750 1.689 ( -1.246 0.244 0.793) 1.496 2.094 ( 0.629 -0.567 0.050) 0.849 2.609 ( 8.189 -6.151 -0.123) 10.243 2.735 ( -3.713 -8.801 -0.869) 9.591 2.910 ( -1.833 -0.046 -0.526) 1.908 3.153 ( 5.217 -6.948 -2.464) 9.031 3.287 ( -9.405 -3.859 2.519) 10.473 3.415 ( 0.399 -8.736 0.183) 8.747 3.748 ( 8.342 -0.135 0.624) 8.366 4.064 ( -8.437 -4.437 -2.302) 9.807 4.350 ( -1.048 7.747 1.050) 7.888 4.667 ( 1.578 9.817 3.279) 10.470 5.296 ( 0.743 -12.302 -0.443) 12.333 5.409 ( 2.133 -10.022 -0.264) 10.250 5.512 ( 0.198 -17.818 -0.596) 17.830 5.947 ( -2.084 -14.930 -0.322) 15.078 7.063 ( 3.958 -4.034 6.407) 8.543 7.154 ( -5.453 -3.060 -6.285) 8.866 7.458 ( 0.441 -3.733 -0.045) 3.760 8.142 ( 3.744 1.871 -0.949) 4.292 8.286 ( -1.766 -0.972 0.627) 2.111 8.528 ( 4.299 6.692 2.612) 8.372 8.658 ( -6.055 5.077 -0.479) 7.916 8.703 ( -0.334 -5.724 -2.055) 6.091 8.894 ( -0.392 1.057 -0.471) 1.222 9.470 ( -0.698 9.943 1.486) 10.078 9.513 ( -0.602 5.573 -3.018) 6.366 10.395 ( 3.158 9.356 2.424) 10.168 10.623 ( -0.880 3.441 1.499) 3.855 11.494 ( 2.606 13.429 -0.721) 13.698 11.678 ( -4.955 -8.626 0.118) 9.949 12.314 ( 0.334 -0.592 -0.097) 0.686 13.672 ( -0.230 -4.882 -0.810) 4.954 14.397 ( -0.966 -4.589 0.042) 4.689 14.890 ( 1.238 2.314 -0.572) 2.686 15.020 ( -1.405 7.445 0.500) 7.593 18.072 ( 2.316 3.917 -0.290) 4.560 18.411 ( -2.553 -4.271 0.112) 4.977 19.087 ( 0.507 3.790 -0.038) 3.824 19.832 ( 1.465 8.778 0.052) 8.900 ======================= Grid point 67 (48/324) ======================= q-point: ( 0.71 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.453 ( 0.000 -0.809 -0.000) 0.809 1.642 ( -0.000 0.538 0.000) 0.538 1.678 ( -0.000 0.693 0.000) 0.693 2.100 ( -0.000 0.001 0.000) 0.001 2.637 ( -0.000 4.767 0.000) 4.767 2.874 ( 0.000 -7.048 -0.000) 7.048 2.990 ( 0.000 -8.283 -0.000) 8.283 3.295 ( 0.000 -5.978 -0.000) 5.978 3.319 ( 0.000 -1.814 -0.000) 1.814 3.587 ( 0.000 -9.910 -0.000) 9.910 3.765 ( 0.000 -0.307 -0.000) 0.307 4.070 ( -0.000 5.904 0.000) 5.904 4.256 ( 0.000 -2.025 -0.000) 2.025 4.388 ( -0.000 17.586 0.000) 17.586 5.450 ( 0.000 -3.904 -0.000) 3.904 5.613 ( 0.000 -8.516 -0.000) 8.516 5.798 ( 0.000 -11.762 -0.000) 11.762 6.169 ( 0.000 -8.443 -0.000) 8.443 7.176 ( 0.000 -7.559 -0.000) 7.559 7.231 ( 0.000 -6.500 -0.000) 6.500 7.516 ( 0.000 -0.401 -0.000) 0.401 8.160 ( 0.000 -4.163 -0.000) 4.163 8.307 ( 0.000 -1.144 -0.000) 1.144 8.323 ( -0.000 14.522 0.000) 14.522 8.523 ( -0.000 7.583 0.000) 7.583 8.801 ( 0.000 -3.247 -0.000) 3.247 8.944 ( 0.000 -7.318 -0.000) 7.318 9.309 ( -0.000 6.870 0.000) 6.870 9.458 ( 0.000 -0.475 -0.000) 0.475 10.207 ( -0.000 11.717 0.000) 11.717 10.580 ( -0.000 1.671 0.000) 1.671 11.270 ( -0.000 8.434 0.000) 8.434 11.854 ( 0.000 -9.223 -0.000) 9.223 12.321 ( 0.000 -0.069 -0.000) 0.069 13.745 ( 0.000 -2.836 -0.000) 2.836 14.482 ( 0.000 -4.812 -0.000) 4.812 14.847 ( -0.000 2.510 0.000) 2.510 14.913 ( -0.000 3.407 0.000) 3.407 18.001 ( -0.000 3.901 0.000) 3.901 18.500 ( 0.000 -5.455 -0.000) 5.455 19.032 ( -0.000 1.944 0.000) 1.944 19.674 ( -0.000 8.297 0.000) 8.297 ======================= Grid point 77 (49/324) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.256 ( 14.378 0.000 3.671) 14.839 1.385 ( 11.475 0.000 7.281) 13.590 1.706 ( 4.165 0.000 -7.705) 8.759 1.712 ( 0.906 0.000 0.839) 1.235 2.111 ( 17.498 0.000 -0.741) 17.514 2.145 ( 5.074 0.000 -1.186) 5.211 2.368 ( -11.378 -0.000 10.346) 15.379 2.493 ( -4.618 -0.000 -5.036) 6.833 2.799 ( -11.762 -0.000 0.348) 11.767 2.836 ( 13.336 0.000 -5.488) 14.421 3.144 ( 4.680 0.000 13.789) 14.561 3.623 ( 8.546 0.000 11.075) 13.989 3.695 ( 2.538 0.000 2.150) 3.327 3.998 ( -1.000 -0.000 -13.540) 13.577 4.348 ( -6.812 -0.000 -12.602) 14.325 4.839 ( -16.162 -0.000 3.219) 16.479 5.176 ( -7.149 -0.000 -9.662) 12.020 5.933 ( 4.136 0.000 7.456) 8.527 6.326 ( 2.330 0.000 0.052) 2.330 6.945 ( -2.258 -0.000 0.503) 2.313 7.889 ( 12.828 0.000 3.264) 13.237 8.006 ( 6.489 0.000 -7.241) 9.723 8.177 ( 3.611 0.000 -1.809) 4.038 8.180 ( -1.899 -0.000 1.701) 2.550 8.659 ( 0.726 0.000 3.457) 3.532 9.158 ( -12.154 -0.000 -3.864) 12.753 9.228 ( -4.519 -0.000 -1.875) 4.893 9.893 ( 2.707 0.000 -0.178) 2.713 10.009 ( 9.243 0.000 6.073) 11.060 11.022 ( 2.474 0.000 1.995) 3.178 11.211 ( -7.503 -0.000 -2.556) 7.927 11.758 ( -8.233 -0.000 1.362) 8.344 12.284 ( -0.967 -0.000 -0.788) 1.247 12.643 ( -0.004 -0.000 0.789) 0.789 13.236 ( -1.240 -0.000 9.301) 9.383 13.543 ( -11.342 -0.000 1.420) 11.431 14.931 ( 6.358 0.000 -3.295) 7.161 15.800 ( -4.456 -0.000 0.789) 4.525 18.138 ( 10.514 0.000 -1.807) 10.668 18.645 ( -9.600 -0.000 -7.278) 12.047 19.359 ( 6.234 0.000 1.192) 6.347 20.410 ( 7.688 0.000 -1.375) 7.810 ======================= Grid point 78 (50/324) ======================= q-point: ( 0.43 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.366 ( 10.334 -2.369 3.083) 11.041 1.487 ( 7.003 -3.294 4.378) 8.891 1.708 ( 0.774 -0.123 -0.959) 1.238 1.742 ( 5.163 -2.953 -4.787) 7.634 2.139 ( 12.135 0.318 -1.084) 12.188 2.251 ( -0.820 -3.175 4.318) 5.422 2.428 ( -3.028 -8.953 2.536) 9.786 2.592 ( -2.562 -12.610 -2.574) 13.122 2.790 ( -9.194 -5.152 -0.243) 10.542 2.912 ( 4.456 -3.586 -7.139) 9.148 3.289 ( 6.573 -8.137 16.984) 19.947 3.701 ( 9.704 0.103 8.569) 12.946 3.820 ( 3.669 -9.597 0.050) 10.275 3.975 ( -1.995 -3.489 -10.235) 10.996 4.323 ( -3.466 -4.501 -8.919) 10.574 4.745 ( -17.737 0.928 -0.072) 17.762 5.142 ( -4.731 -2.645 -6.393) 8.382 5.929 ( 3.081 4.579 5.353) 7.688 6.429 ( 2.103 -8.879 -0.639) 9.147 6.949 ( -2.271 -1.397 0.565) 2.725 7.924 ( 12.221 4.690 4.347) 13.793 8.021 ( 7.170 -1.327 -4.577) 8.610 8.183 ( 0.703 -1.436 -1.469) 2.171 8.246 ( -3.117 -4.350 2.067) 5.737 8.695 ( 1.647 -1.571 2.057) 3.068 9.059 ( -12.554 1.777 -5.040) 13.644 9.179 ( -4.224 2.511 -1.245) 5.069 9.813 ( 5.863 6.914 -0.786) 9.099 10.074 ( 2.824 0.936 4.164) 5.117 11.014 ( 1.657 3.071 1.749) 3.903 11.100 ( -4.730 7.035 -0.942) 8.529 11.670 ( -4.503 5.670 1.826) 7.467 12.288 ( -1.417 -0.492 -0.127) 1.505 12.441 ( 1.542 12.617 1.098) 12.758 13.480 ( -11.694 0.813 6.684) 13.494 13.545 ( 0.056 -21.405 -2.111) 21.509 14.952 ( 4.919 0.001 -2.527) 5.530 15.732 ( -3.716 5.071 0.536) 6.310 18.176 ( 10.788 1.276 -1.074) 10.916 18.547 ( -10.196 2.453 -4.899) 11.574 19.372 ( 4.883 2.131 1.016) 5.424 20.397 ( 5.729 4.509 -0.465) 7.305 ======================= Grid point 79 (51/324) ======================= q-point: ( 0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.434 ( 3.856 -0.124 2.195) 4.439 1.589 ( 4.209 -3.194 0.907) 5.361 1.706 ( -0.696 0.240 0.457) 0.867 1.860 ( 6.889 -6.886 -3.192) 10.250 2.213 ( 11.782 -2.015 -2.958) 12.314 2.311 ( -6.268 -4.417 7.077) 10.434 2.630 ( 2.094 -10.472 1.113) 10.737 2.824 ( -1.937 -10.390 -8.338) 13.462 2.904 ( -8.235 -12.795 3.267) 15.563 2.980 ( -0.104 -4.937 -3.193) 5.880 3.574 ( 2.662 -9.697 18.332) 20.909 3.816 ( 9.703 -8.771 0.463) 13.089 3.917 ( 3.666 -1.642 -9.586) 10.394 4.192 ( -1.397 -19.379 1.766) 19.509 4.442 ( 0.380 -11.190 -4.907) 12.225 4.640 ( -14.930 0.034 -1.537) 15.009 5.195 ( -2.601 -6.814 -3.248) 7.984 5.826 ( 1.540 8.993 3.161) 9.656 6.634 ( 2.728 -10.888 -1.218) 11.290 6.978 ( -3.209 -2.946 0.989) 4.467 7.856 ( 9.308 10.106 3.916) 14.287 8.101 ( 6.199 -3.949 -3.475) 8.130 8.222 ( 0.165 -2.703 -2.351) 3.586 8.302 ( -5.957 -3.549 3.924) 7.968 8.715 ( 2.982 1.475 1.216) 3.543 8.942 ( -11.357 2.183 -4.578) 12.438 9.089 ( -2.179 4.533 -0.218) 5.034 9.753 ( 7.381 2.248 -2.794) 8.206 10.020 ( -2.753 5.732 3.804) 7.410 10.900 ( 2.026 10.125 -0.733) 10.351 10.947 ( -3.267 6.391 2.924) 7.751 11.534 ( -0.505 7.149 1.263) 7.278 12.253 ( -2.804 4.046 0.906) 5.005 12.299 ( 1.009 3.692 -0.126) 3.829 13.440 ( -4.588 -0.732 0.030) 4.646 13.904 ( -2.974 -16.757 0.560) 17.028 14.963 ( 3.208 0.444 -1.735) 3.674 15.582 ( -2.663 8.920 0.315) 9.315 18.197 ( 10.765 1.972 -0.690) 10.965 18.431 ( -10.414 2.774 -2.073) 10.975 19.336 ( 2.956 3.958 0.544) 4.970 20.307 ( 3.929 7.366 -0.043) 8.348 ======================= Grid point 80 (52/324) ======================= q-point: ( 0.57 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.442 ( 0.601 0.630 0.975) 1.307 1.652 ( 2.864 -1.583 -0.399) 3.297 1.694 ( -1.367 0.590 0.588) 1.601 2.005 ( 2.744 -5.297 -0.511) 5.987 2.330 ( 12.068 -5.642 -5.049) 14.246 2.404 ( -7.957 -7.057 6.026) 12.224 2.823 ( 2.743 -6.993 6.041) 9.639 2.919 ( -3.872 -6.436 -11.021) 13.337 3.092 ( 0.052 -7.391 -0.179) 7.393 3.101 ( -4.170 -8.301 1.577) 9.422 3.737 ( 7.147 -1.912 15.432) 17.114 3.909 ( -6.574 -3.020 -14.362) 16.081 4.193 ( 7.009 -21.882 2.039) 23.067 4.495 ( -6.612 -4.757 2.532) 8.530 4.648 ( 0.688 -16.423 -0.065) 16.437 4.744 ( -0.752 -18.457 -2.730) 18.673 5.358 ( -0.190 -12.066 -1.396) 12.148 5.634 ( -0.620 11.999 1.277) 12.083 6.835 ( 3.325 -8.781 -0.268) 9.393 7.031 ( -3.953 -4.170 0.482) 5.766 7.667 ( 3.455 13.349 1.366) 13.856 8.176 ( 3.639 -1.797 -2.665) 4.856 8.254 ( -2.691 -1.466 0.410) 3.092 8.374 ( -1.321 -5.759 1.056) 6.002 8.706 ( 5.005 1.537 1.170) 5.365 8.831 ( -8.509 3.198 -2.139) 9.339 9.000 ( -0.412 3.944 -0.067) 3.966 9.746 ( 7.157 2.921 -4.408) 8.899 9.867 ( -6.056 9.137 4.632) 11.900 10.732 ( 5.915 9.345 0.121) 11.060 10.807 ( -5.569 6.463 1.584) 8.677 11.442 ( 0.376 1.727 0.227) 1.781 12.088 ( -2.644 11.910 0.683) 12.219 12.283 ( 0.603 -0.486 -0.158) 0.791 13.472 ( -1.338 -4.255 -0.678) 4.511 14.147 ( -1.626 -10.423 0.130) 10.550 14.957 ( 1.535 1.100 -0.816) 2.057 15.384 ( -1.399 10.619 0.196) 10.713 18.205 ( 8.617 2.837 -0.608) 9.092 18.338 ( -8.553 0.790 -0.198) 8.591 19.263 ( 1.199 4.925 0.152) 5.071 20.169 ( 1.944 8.724 0.027) 8.938 ======================= Grid point 81 (53/324) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.435 ( -0.000 0.169 0.000) 0.169 1.673 ( -0.000 1.014 0.000) 1.014 1.683 ( 0.000 -0.685 -0.000) 0.685 2.075 ( 0.000 -1.916 -0.000) 1.916 2.496 ( 0.000 -7.781 -0.000) 7.781 2.542 ( 0.000 -9.476 -0.000) 9.476 2.907 ( 0.000 -0.786 -0.000) 0.786 3.026 ( 0.000 -7.348 -0.000) 7.348 3.191 ( 0.000 -3.979 -0.000) 3.979 3.251 ( 0.000 -8.814 -0.000) 8.814 3.803 ( -0.000 1.860 0.000) 1.860 3.927 ( 0.000 -5.904 -0.000) 5.904 4.461 ( -0.000 3.940 0.000) 3.940 4.614 ( 0.000 -16.610 -0.000) 16.610 5.009 ( 0.000 -18.064 -0.000) 18.064 5.125 ( 0.000 -21.025 -0.000) 21.025 5.411 ( -0.000 8.792 0.000) 8.792 5.634 ( 0.000 -16.447 -0.000) 16.447 6.993 ( 0.000 -6.804 -0.000) 6.804 7.085 ( 0.000 -2.349 -0.000) 2.349 7.470 ( -0.000 6.482 0.000) 6.482 8.186 ( -0.000 1.202 0.000) 1.202 8.265 ( 0.000 -0.785 -0.000) 0.785 8.502 ( 0.000 -7.356 -0.000) 7.356 8.698 ( -0.000 1.952 0.000) 1.952 8.722 ( -0.000 4.920 0.000) 4.920 8.938 ( -0.000 2.757 0.000) 2.757 9.652 ( -0.000 8.465 0.000) 8.465 9.665 ( -0.000 10.194 0.000) 10.194 10.581 ( -0.000 9.072 0.000) 9.072 10.690 ( -0.000 4.292 0.000) 4.292 11.494 ( 0.000 -6.748 -0.000) 6.748 11.807 ( -0.000 16.343 0.000) 16.343 12.300 ( 0.000 -0.945 -0.000) 0.945 13.567 ( 0.000 -5.779 -0.000) 5.779 14.296 ( 0.000 -6.231 -0.000) 6.231 14.932 ( -0.000 1.796 0.000) 1.796 15.184 ( -0.000 9.974 0.000) 9.974 18.156 ( -0.000 4.164 0.000) 4.164 18.336 ( 0.000 -2.584 -0.000) 2.584 19.172 ( -0.000 4.863 0.000) 4.863 20.005 ( -0.000 9.054 0.000) 9.054 ======================= Grid point 93 (54/324) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.395 ( 8.693 0.000 1.880) 8.894 1.500 ( 4.105 0.000 3.742) 5.555 1.709 ( 4.126 0.000 -5.343) 6.751 1.717 ( -0.705 -0.000 0.762) 1.038 2.196 ( 5.230 0.000 -0.548) 5.258 2.232 ( 7.234 0.000 -0.294) 7.240 2.344 ( -4.756 -0.000 7.714) 9.062 2.430 ( -2.477 -0.000 -2.988) 3.881 2.690 ( -8.762 -0.000 0.098) 8.763 2.885 ( 5.063 0.000 -8.148) 9.593 3.301 ( 6.472 0.000 17.859) 18.995 3.725 ( 1.258 0.000 1.126) 1.688 3.738 ( 1.868 0.000 -5.445) 5.756 3.957 ( 5.974 0.000 0.194) 5.977 4.246 ( -0.083 -0.000 -5.292) 5.292 4.653 ( -18.554 -0.000 -2.881) 18.777 5.079 ( -3.146 -0.000 -4.331) 5.353 6.001 ( 2.211 0.000 3.695) 4.306 6.345 ( 1.332 0.000 0.024) 1.332 6.929 ( -1.291 -0.000 0.268) 1.318 8.022 ( 3.760 0.000 -1.808) 4.172 8.049 ( 11.054 0.000 2.882) 11.424 8.172 ( -0.969 -0.000 0.420) 1.056 8.197 ( 2.001 0.000 -1.114) 2.290 8.685 ( 0.606 0.000 2.324) 2.402 8.996 ( -11.840 -0.000 -4.788) 12.771 9.180 ( -2.620 -0.000 -1.326) 2.937 9.913 ( 1.413 0.000 -0.093) 1.416 10.114 ( 5.235 0.000 3.099) 6.083 11.060 ( 2.830 0.000 0.939) 2.982 11.137 ( -4.719 -0.000 -1.026) 4.829 11.697 ( -4.599 -0.000 0.778) 4.665 12.272 ( -0.542 -0.000 -0.428) 0.691 12.647 ( -0.004 -0.000 0.426) 0.426 13.271 ( -0.678 -0.000 4.817) 4.865 13.459 ( -5.589 -0.000 0.039) 5.589 14.968 ( 3.567 0.000 -1.610) 3.914 15.765 ( -2.704 -0.000 0.388) 2.731 18.244 ( 11.059 0.000 -0.033) 11.059 18.501 ( -10.829 -0.000 -4.577) 11.757 19.419 ( 3.679 0.000 0.877) 3.782 20.463 ( 3.547 0.000 -0.240) 3.555 ======================= Grid point 94 (55/324) ======================= q-point: ( 0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.453 ( 3.577 -0.903 1.127) 3.858 1.547 ( 1.959 -2.711 1.085) 3.516 1.705 ( -0.304 -0.043 -0.140) 0.338 1.767 ( 3.017 -4.486 -2.063) 5.787 2.231 ( 7.842 -0.569 -3.900) 8.777 2.255 ( -4.698 -1.026 7.075) 8.555 2.434 ( 1.621 -9.568 -0.454) 9.715 2.564 ( -0.998 -13.208 -0.740) 13.267 2.702 ( -5.727 -4.984 0.200) 7.595 2.901 ( 1.017 -2.263 -3.885) 4.609 3.465 ( 5.984 -8.057 14.858) 17.930 3.714 ( -2.894 -1.626 -11.059) 11.547 3.860 ( 1.981 -12.498 0.172) 12.655 3.984 ( 4.654 1.094 3.415) 5.875 4.290 ( 3.744 -4.480 -1.699) 6.081 4.554 ( -13.912 -0.206 -3.013) 14.236 5.085 ( -1.473 -3.016 -1.886) 3.850 5.973 ( 1.068 4.807 1.774) 5.235 6.441 ( 0.784 -8.878 -0.221) 8.915 6.935 ( -0.829 -1.101 0.212) 1.394 8.037 ( 3.488 1.037 0.444) 3.666 8.077 ( 6.557 1.647 1.112) 6.851 8.179 ( 0.057 -1.320 -1.293) 1.849 8.228 ( -1.916 -2.449 0.981) 3.261 8.720 ( 0.933 -2.028 1.091) 2.484 8.916 ( -7.271 1.582 -3.151) 8.080 9.144 ( -1.422 2.395 -0.573) 2.843 9.852 ( 2.160 5.496 -0.331) 5.914 10.111 ( 0.863 3.390 1.422) 3.776 11.037 ( 1.132 4.320 0.859) 4.548 11.063 ( -1.872 5.187 -0.446) 5.532 11.646 ( -1.576 3.980 0.629) 4.326 12.276 ( -0.604 -0.199 -0.057) 0.638 12.457 ( 0.522 12.615 0.353) 12.631 13.427 ( -3.553 0.859 1.460) 3.936 13.538 ( -0.278 -20.030 -0.014) 20.032 14.977 ( 1.794 0.143 -0.833) 1.983 15.707 ( -1.418 5.076 0.181) 5.274 18.288 ( 11.102 1.475 0.665) 11.219 18.413 ( -10.965 1.831 -2.697) 11.440 19.412 ( 1.799 2.404 0.423) 3.033 20.435 ( 1.818 4.321 -0.041) 4.688 ======================= Grid point 95 (56/324) ======================= q-point: ( 0.57 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.460 ( -0.000 0.716 0.000) 0.716 1.614 ( 0.000 -3.049 -0.000) 3.049 1.703 ( -0.000 0.328 0.000) 0.328 1.889 ( 0.000 -7.142 -0.000) 7.142 2.274 ( 0.000 -3.234 -0.000) 3.234 2.294 ( 0.000 -3.022 -0.000) 3.022 2.664 ( 0.000 -12.664 -0.000) 12.664 2.758 ( 0.000 -6.251 -0.000) 6.251 2.878 ( 0.000 -14.454 -0.000) 14.454 2.967 ( 0.000 -5.236 -0.000) 5.236 3.724 ( 0.000 -3.656 -0.000) 3.656 3.728 ( 0.000 -12.745 -0.000) 12.745 3.985 ( 0.000 -1.472 -0.000) 1.472 4.189 ( 0.000 -19.904 -0.000) 19.904 4.443 ( 0.000 -11.588 -0.000) 11.588 4.527 ( 0.000 -1.561 -0.000) 1.561 5.171 ( 0.000 -7.100 -0.000) 7.100 5.844 ( -0.000 9.364 0.000) 9.364 6.645 ( 0.000 -11.442 -0.000) 11.442 6.964 ( 0.000 -2.272 -0.000) 2.272 7.926 ( -0.000 11.126 0.000) 11.126 8.126 ( 0.000 -3.513 -0.000) 3.513 8.212 ( 0.000 -2.178 -0.000) 2.178 8.280 ( 0.000 -3.828 -0.000) 3.828 8.745 ( -0.000 0.331 0.000) 0.331 8.852 ( -0.000 2.398 0.000) 2.398 9.077 ( -0.000 4.062 0.000) 4.062 9.785 ( -0.000 1.704 0.000) 1.704 10.014 ( -0.000 6.893 0.000) 6.893 10.917 ( -0.000 8.044 0.000) 8.044 10.933 ( -0.000 7.993 0.000) 7.993 11.536 ( -0.000 6.733 0.000) 6.733 12.240 ( -0.000 4.651 0.000) 4.651 12.305 ( -0.000 3.634 0.000) 3.634 13.416 ( 0.000 -1.002 -0.000) 1.002 13.891 ( 0.000 -16.451 -0.000) 16.451 14.975 ( -0.000 0.521 0.000) 0.521 15.569 ( -0.000 8.914 0.000) 8.914 18.299 ( -0.000 3.121 0.000) 3.121 18.322 ( -0.000 1.422 0.000) 1.422 19.354 ( -0.000 4.176 0.000) 4.176 20.327 ( -0.000 7.312 0.000) 7.312 ======================= Grid point 110 (57/324) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.449 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.715 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.269 ( -0.000 -0.000 0.000) 0.000 2.346 ( 0.000 0.000 -0.000) 0.000 2.408 ( 0.000 0.000 -0.000) 0.000 2.640 ( -0.000 -0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 3.431 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.271 ( -0.000 -0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.352 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 -0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.163 ( -0.000 -0.000 -0.000) 0.000 8.204 ( 0.000 0.000 0.000) 0.000 8.696 ( 0.000 0.000 0.000) 0.000 8.907 ( 0.000 0.000 0.000) 0.000 9.162 ( 0.000 0.000 0.000) 0.000 9.920 ( 0.000 0.000 0.000) 0.000 10.151 ( 0.000 0.000 0.000) 0.000 11.091 ( -0.000 -0.000 -0.000) 0.000 11.096 ( 0.000 0.000 0.000) 0.000 11.676 ( 0.000 0.000 0.000) 0.000 12.268 ( 0.000 0.000 0.000) 0.000 12.648 ( 0.000 0.000 0.000) 0.000 13.283 ( -0.000 -0.000 0.000) 0.000 13.430 ( 0.000 0.000 -0.000) 0.000 14.982 ( 0.000 0.000 0.000) 0.000 15.752 ( 0.000 0.000 0.000) 0.000 18.363 ( -0.000 -0.000 -0.000) 0.000 18.368 ( 0.000 0.000 0.000) 0.000 19.441 ( 0.000 0.000 0.000) 0.000 20.481 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 205 (58/324) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.388 ( -3.526 -0.000 19.916) 20.226 0.435 ( -10.202 -0.000 22.457) 24.666 0.855 ( -6.980 -0.000 42.910) 43.474 1.567 ( 1.944 0.000 -4.369) 4.782 1.767 ( -2.007 -0.000 -10.031) 10.230 2.085 ( -0.287 -0.000 -0.556) 0.626 2.165 ( 4.516 0.000 4.675) 6.500 2.474 ( 6.896 0.000 -1.828) 7.134 2.827 ( -2.168 -0.000 -6.624) 6.970 3.160 ( -6.190 -0.000 6.157) 8.731 3.251 ( 2.041 0.000 -0.306) 2.064 3.430 ( -0.579 -0.000 5.966) 5.994 3.440 ( 4.537 0.000 4.045) 6.078 4.396 ( -5.075 -0.000 -25.969) 26.460 4.734 ( -6.043 -0.000 -18.827) 19.773 5.189 ( -8.411 -0.000 9.099) 12.391 5.475 ( 7.563 0.000 12.057) 14.233 5.792 ( -8.214 -0.000 4.112) 9.186 6.218 ( 0.097 0.000 -0.023) 0.100 7.035 ( 0.365 0.000 0.361) 0.513 7.556 ( -1.166 -0.000 -3.115) 3.326 7.732 ( -9.303 -0.000 -0.172) 9.305 8.037 ( -0.265 -0.000 -0.847) 0.887 8.555 ( -21.945 -0.000 -10.550) 24.349 8.596 ( 0.086 0.000 1.542) 1.545 9.257 ( 8.294 0.000 -2.388) 8.631 9.437 ( -7.072 -0.000 21.966) 23.076 9.512 ( -0.222 -0.000 -0.466) 0.516 9.701 ( 0.025 0.000 -0.502) 0.503 10.859 ( 39.087 0.000 -2.617) 39.174 11.506 ( 55.220 0.000 -10.998) 56.305 11.690 ( -0.204 -0.000 -4.016) 4.022 12.304 ( 16.465 0.000 10.216) 19.377 12.343 ( -0.131 -0.000 -1.045) 1.053 12.628 ( 0.167 0.000 1.024) 1.037 14.207 ( 8.003 0.000 -1.995) 8.248 15.689 ( -2.131 -0.000 0.057) 2.132 15.958 ( 1.057 0.000 2.579) 2.787 17.935 ( -7.946 -0.000 -3.814) 8.814 18.842 ( -0.038 -0.000 2.298) 2.298 19.630 ( 1.998 0.000 0.398) 2.037 19.741 ( -87.744 -0.000 0.257) 87.745 ======================= Grid point 206 (59/324) ======================= q-point: ( 0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.668 ( -2.690 -17.185 15.032) 22.989 0.680 ( 7.990 -14.946 13.921) 21.932 1.168 ( -0.229 -18.610 27.958) 33.586 1.593 ( 2.323 -2.479 -4.027) 5.268 1.745 ( -0.361 -1.896 -8.522) 8.738 2.121 ( 0.434 -3.251 -0.599) 3.334 2.258 ( 5.516 -7.352 2.260) 9.465 2.529 ( 8.393 -1.750 0.716) 8.603 2.912 ( -2.946 -11.707 -5.731) 13.363 3.143 ( -9.890 -1.116 5.359) 11.304 3.307 ( -2.350 -4.866 0.228) 5.408 3.525 ( 3.572 -5.294 4.983) 8.101 3.537 ( 3.871 -8.229 5.591) 10.675 4.327 ( -4.352 -4.664 -24.417) 25.237 4.621 ( -1.052 1.837 -17.260) 17.390 5.153 ( -4.110 1.547 11.092) 11.930 5.523 ( 7.395 2.524 10.989) 13.484 5.728 ( -8.709 2.841 2.487) 9.492 6.333 ( 0.120 -8.750 -2.212) 9.026 7.084 ( -0.524 -4.629 0.781) 4.724 7.550 ( -1.268 -0.733 -3.606) 3.892 7.761 ( -1.459 -5.646 -1.484) 6.018 8.165 ( 1.758 5.099 4.773) 7.202 8.453 ( -11.114 -13.795 -12.076) 21.440 8.720 ( -3.111 -6.178 -5.671) 8.945 9.169 ( 2.910 11.191 -3.746) 12.154 9.373 ( 2.083 4.052 8.223) 9.401 9.618 ( 2.672 -4.702 9.898) 11.279 9.747 ( -2.313 -2.125 1.842) 3.641 10.895 ( 11.688 6.738 -5.219) 14.465 11.403 ( 9.509 16.937 -0.024) 19.423 11.747 ( 8.680 -3.253 -9.636) 13.371 12.150 ( 3.759 5.103 2.760) 6.912 12.310 ( 2.557 2.932 -0.434) 3.915 13.420 ( 15.107 -37.981 -22.452) 46.635 14.289 ( 11.126 -3.945 -2.835) 12.141 15.307 ( -26.963 23.239 11.193) 37.314 15.919 ( -0.379 5.211 2.736) 5.898 17.849 ( -3.736 2.546 -0.607) 4.561 18.848 ( 2.871 0.718 1.962) 3.551 19.303 ( -37.706 4.027 10.669) 39.393 19.671 ( 12.242 3.001 3.312) 13.032 ======================= Grid point 207 (60/324) ======================= q-point: ( 0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.001 ( 6.158 -11.877 11.734) 17.795 1.061 ( 4.121 -18.370 7.733) 20.352 1.509 ( -2.377 -8.740 8.088) 12.143 1.647 ( 2.415 -2.673 -1.702) 3.984 1.801 ( 1.341 -6.000 -4.074) 7.375 2.193 ( 2.179 -4.143 -0.582) 4.717 2.552 ( 7.363 -17.503 -3.190) 19.254 2.637 ( 7.997 -6.260 1.890) 10.330 3.126 ( -7.866 -5.204 2.405) 9.733 3.187 ( -4.903 -15.507 2.295) 16.425 3.388 ( -1.181 -4.355 1.180) 4.664 3.672 ( -1.981 -7.415 4.438) 8.866 3.801 ( 5.995 -14.362 3.460) 15.943 4.405 ( -1.513 -13.192 -19.852) 23.883 4.556 ( -0.737 -1.225 -15.159) 15.226 5.142 ( -3.667 1.675 9.407) 10.234 5.543 ( 6.201 3.228 11.429) 13.397 5.622 ( -8.319 2.616 -1.078) 8.787 6.505 ( 0.174 -9.675 -1.185) 9.749 7.198 ( -1.664 -7.429 1.488) 7.757 7.518 ( -2.360 2.577 -4.402) 5.620 7.885 ( 1.994 -7.018 -3.657) 8.160 8.062 ( 0.799 2.840 5.958) 6.648 8.655 ( -8.411 -11.369 -0.879) 14.169 8.745 ( 0.692 0.395 -6.076) 6.128 8.925 ( 3.075 14.129 -1.829) 14.575 9.361 ( 3.514 0.471 0.622) 3.599 9.710 ( -9.123 1.631 9.380) 13.186 9.740 ( 9.391 1.044 2.634) 9.809 10.734 ( 8.430 13.149 -7.429) 17.295 11.178 ( -3.237 9.494 6.366) 11.880 11.768 ( -5.981 -1.135 -7.264) 9.478 12.133 ( 2.985 -0.211 -1.633) 3.409 12.283 ( 8.301 2.864 -0.152) 8.782 13.848 ( -1.327 -11.141 -7.901) 13.723 14.420 ( 5.209 -4.353 1.643) 6.985 14.856 ( -14.311 12.185 -2.047) 18.907 15.785 ( -2.127 8.935 2.359) 9.483 17.807 ( 1.855 1.394 -1.641) 2.842 18.849 ( 1.586 1.343 2.005) 2.888 19.157 ( -16.204 1.120 3.509) 16.618 19.674 ( 14.177 5.170 3.876) 15.580 ======================= Grid point 208 (61/324) ======================= q-point: ( 0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.249 ( 5.365 -7.779 7.030) 11.778 1.437 ( 9.193 -15.583 1.523) 18.157 1.595 ( -7.466 -4.052 4.217) 9.484 1.689 ( 2.456 -1.063 -1.879) 3.270 1.916 ( 1.388 -5.298 -0.938) 5.556 2.308 ( 2.349 -7.449 -1.462) 7.947 2.745 ( 8.087 -4.907 0.703) 9.486 2.921 ( 4.469 -13.333 -11.835) 18.380 3.161 ( -8.294 -4.143 2.104) 9.506 3.443 ( -0.747 -2.233 3.499) 4.217 3.625 ( 2.143 -26.166 8.475) 27.588 3.783 ( -4.407 -5.120 0.541) 6.777 4.104 ( 5.176 -11.931 2.457) 13.235 4.593 ( -2.209 -8.149 -7.060) 11.006 4.674 ( 1.414 -19.633 -12.921) 23.546 5.092 ( -5.046 3.944 6.160) 8.886 5.443 ( -4.068 7.590 4.282) 9.617 5.668 ( 1.252 -7.129 2.652) 7.708 6.682 ( -0.907 -9.421 0.101) 9.465 7.342 ( -2.321 -7.983 1.765) 8.499 7.413 ( -1.764 4.731 -4.007) 6.446 7.991 ( 7.212 -3.273 -1.350) 8.034 8.127 ( -2.941 -5.576 2.209) 6.680 8.666 ( 4.431 8.671 0.846) 9.774 8.694 ( -3.734 4.228 -8.166) 9.925 8.786 ( -2.759 -2.487 4.947) 6.186 9.390 ( 3.328 -1.307 -1.981) 4.088 9.569 ( -7.709 7.957 1.811) 11.226 9.778 ( 6.774 2.943 8.537) 11.289 10.474 ( 6.900 15.143 -8.277) 18.586 11.024 ( -5.728 7.649 8.197) 12.590 11.706 ( -10.906 0.712 -3.070) 11.352 12.165 ( 2.654 -2.043 -2.220) 4.018 12.258 ( 6.804 4.626 -0.916) 8.278 13.859 ( -9.751 3.391 3.750) 10.984 14.488 ( -5.489 -2.881 2.578) 6.714 14.717 ( 5.452 -0.350 -13.115) 14.207 15.587 ( -3.214 11.009 2.033) 11.647 17.800 ( 4.026 0.435 -2.102) 4.563 18.819 ( -3.143 2.099 2.458) 4.508 19.087 ( -6.954 0.680 -0.151) 6.989 19.650 ( 13.943 6.196 3.601) 15.677 ======================= Grid point 209 (62/324) ======================= q-point: ( 0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.391 ( 4.366 -3.339 2.447) 6.017 1.603 ( 0.496 -1.373 -1.376) 2.006 1.691 ( -0.051 -0.982 1.292) 1.624 1.808 ( 4.573 -14.378 1.309) 15.144 1.999 ( 1.425 -3.104 -0.601) 3.468 2.491 ( 0.867 -11.401 -2.408) 11.685 2.866 ( 6.368 -3.649 -0.996) 7.407 3.087 ( 2.762 -7.132 -10.375) 12.890 3.223 ( -4.092 -6.142 0.536) 7.399 3.465 ( -1.644 -0.323 2.270) 2.821 3.795 ( -4.095 -1.087 -2.892) 5.129 4.136 ( 1.368 -14.592 1.771) 14.763 4.326 ( 4.086 -11.982 11.644) 17.201 4.743 ( -0.499 -4.521 7.359) 8.652 4.974 ( -0.771 -1.690 -4.155) 4.552 5.057 ( -3.911 -15.711 -5.265) 17.025 5.342 ( -2.534 -1.371 -0.328) 2.899 5.864 ( 0.156 -11.713 1.487) 11.808 6.852 ( -2.283 -9.234 2.082) 9.737 7.337 ( -0.380 1.029 -2.994) 3.189 7.470 ( -2.977 -6.231 0.739) 6.945 8.042 ( 0.851 3.596 -1.246) 3.900 8.176 ( 3.199 -2.473 -0.157) 4.046 8.537 ( 5.974 7.630 0.985) 9.740 8.651 ( -1.207 -2.797 -6.689) 7.350 8.796 ( -6.119 -0.167 4.506) 7.601 9.321 ( -5.065 8.583 -0.786) 9.997 9.476 ( 0.934 -1.339 -1.083) 1.959 9.737 ( 3.738 7.599 7.943) 11.611 10.218 ( 7.557 12.328 -6.533) 15.868 10.865 ( -6.036 8.927 8.657) 13.823 11.616 ( -7.927 3.370 -0.541) 8.631 12.162 ( -0.852 6.127 -1.073) 6.279 12.218 ( 2.214 -2.615 -2.220) 4.083 13.754 ( -6.849 2.585 3.113) 7.955 14.506 ( -4.114 -1.897 -4.557) 6.425 14.749 ( 5.568 -1.829 -5.216) 7.846 15.364 ( -3.687 11.042 2.019) 11.815 17.819 ( 4.834 -0.659 -1.911) 5.239 18.758 ( -6.542 2.304 2.082) 7.242 19.051 ( -1.983 0.629 -1.194) 2.398 19.613 ( 12.188 5.860 2.921) 13.835 ======================= Grid point 210 (63/324) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.452 ( 4.028 -0.888 -0.663) 4.178 1.612 ( -3.569 -0.705 1.570) 3.963 1.698 ( 1.341 0.323 -0.611) 1.508 2.044 ( 0.395 -2.344 0.119) 2.381 2.107 ( 8.966 -12.059 -2.386) 15.215 2.712 ( -1.133 -12.486 -3.874) 13.122 2.939 ( 4.129 -1.909 -1.507) 4.793 3.157 ( -0.613 -2.537 -4.223) 4.965 3.375 ( 2.312 -10.045 -1.176) 10.375 3.465 ( -0.625 -0.582 -1.214) 1.484 3.783 ( -5.686 -1.472 -0.688) 5.914 4.208 ( 1.029 1.535 -0.931) 2.069 4.471 ( -0.788 8.445 13.278) 15.756 4.719 ( -5.424 8.202 6.617) 11.853 5.081 ( 3.819 -15.847 1.475) 16.367 5.345 ( 0.249 -13.563 -3.264) 13.953 5.525 ( -1.469 -16.016 -3.691) 16.501 6.083 ( -0.561 -10.555 -0.275) 10.573 7.026 ( -3.101 -9.866 3.923) 11.061 7.352 ( -0.494 -3.319 -2.809) 4.376 7.540 ( -4.329 -2.947 -0.528) 5.263 7.896 ( 2.023 8.427 -2.603) 9.049 8.272 ( 4.412 -2.985 -1.995) 5.688 8.444 ( 5.027 4.515 1.476) 6.916 8.601 ( -2.754 6.656 1.351) 7.329 8.848 ( -4.405 -7.038 -2.453) 8.658 9.156 ( -2.571 5.627 0.799) 6.238 9.484 ( -1.656 2.664 -1.044) 3.306 9.600 ( 0.200 6.083 0.379) 6.098 10.073 ( 9.080 7.135 1.050) 11.596 10.680 ( -4.618 10.494 7.813) 13.874 11.485 ( -3.073 7.153 -0.251) 7.789 12.046 ( -6.386 2.839 -2.380) 7.383 12.269 ( 1.280 -2.209 -1.112) 2.784 13.725 ( -2.192 -0.953 1.018) 2.598 14.494 ( -1.507 -0.484 -5.894) 6.103 14.791 ( 2.189 -1.268 -0.735) 2.635 15.158 ( -3.352 9.259 2.187) 10.087 17.858 ( 4.588 -1.348 -1.343) 4.967 18.687 ( -6.568 1.927 1.174) 6.945 19.030 ( -0.394 0.621 -0.973) 1.219 19.578 ( 9.070 4.498 2.147) 10.349 ======================= Grid point 211 (64/324) ======================= q-point: ( 0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.474 ( 4.076 0.124 -2.090) 4.582 1.607 ( -4.475 -0.424 2.176) 4.994 1.691 ( 0.998 0.819 -0.953) 1.605 2.074 ( 0.496 -0.973 -0.058) 1.094 2.349 ( 9.732 -8.793 -5.258) 14.130 2.879 ( -2.156 -5.834 -3.326) 7.053 3.008 ( 0.460 -5.801 0.222) 5.823 3.169 ( -0.217 -0.329 -1.827) 1.869 3.474 ( 4.117 -1.337 -4.185) 6.021 3.603 ( 2.405 -12.061 -2.124) 12.480 3.784 ( -8.956 -1.700 2.521) 9.458 4.147 ( 2.802 6.097 0.290) 6.716 4.245 ( -0.153 16.021 10.913) 19.385 4.528 ( -7.027 7.412 2.027) 10.413 5.406 ( 3.552 -11.903 2.885) 12.752 5.536 ( -0.988 -7.445 -0.193) 7.513 5.780 ( -0.200 -11.045 -2.025) 11.230 6.232 ( -0.294 -5.438 -1.719) 5.711 7.217 ( -3.059 -10.525 3.933) 11.644 7.405 ( -0.647 -2.526 -2.585) 3.672 7.526 ( -5.680 1.205 -1.553) 6.011 7.790 ( 8.386 4.505 -2.424) 9.823 8.267 ( 0.807 1.552 -4.024) 4.388 8.375 ( -4.696 6.572 4.022) 9.023 8.564 ( 8.335 -3.360 1.511) 9.113 8.896 ( -5.933 -0.532 -0.644) 5.992 9.077 ( 2.747 5.347 2.534) 6.524 9.377 ( -6.467 -0.139 -7.124) 9.623 9.577 ( -2.560 -2.427 -2.508) 4.329 10.016 ( 7.814 6.274 8.874) 13.386 10.486 ( -1.211 9.733 5.049) 11.031 11.342 ( -1.163 5.723 -1.165) 5.955 11.980 ( -5.088 0.394 -3.197) 6.022 12.304 ( 0.515 -1.237 -0.625) 1.479 13.755 ( -0.249 -2.198 0.192) 2.221 14.488 ( 0.959 -1.035 -4.687) 4.895 14.808 ( -0.159 0.037 0.738) 0.756 15.006 ( -2.271 5.732 2.205) 6.548 17.901 ( 3.032 -1.236 -0.658) 3.340 18.631 ( -4.084 1.223 0.325) 4.276 19.018 ( -0.091 0.269 -0.495) 0.571 19.552 ( 4.663 2.552 1.486) 5.519 ======================= Grid point 212 (65/324) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.480 ( 4.350 0.755 -2.522) 5.085 1.596 ( -4.846 -0.084 2.066) 5.269 1.673 ( 0.682 0.910 -1.486) 1.871 2.088 ( 0.118 -0.349 0.110) 0.384 2.471 ( 5.348 -1.219 -6.344) 8.386 2.934 ( 0.462 -2.290 0.753) 2.455 3.110 ( -0.785 -3.214 -0.482) 3.343 3.174 ( 0.335 -0.920 -0.792) 1.259 3.529 ( 6.159 -3.204 -6.422) 9.458 3.746 ( -10.134 1.396 2.816) 10.611 3.807 ( 0.451 -4.813 -1.801) 5.159 3.970 ( 0.418 7.363 1.108) 7.458 4.052 ( 3.603 9.024 8.479) 12.896 4.451 ( -4.042 -2.032 1.510) 4.770 5.499 ( -2.826 2.391 -0.137) 3.704 5.641 ( 1.366 -2.551 3.014) 4.178 5.903 ( 1.041 -1.927 0.047) 2.191 6.267 ( 0.372 1.051 -2.910) 3.116 7.337 ( 1.335 5.544 0.861) 5.767 7.409 ( 0.025 -3.611 -0.432) 3.637 7.495 ( -2.041 -2.630 -1.000) 3.476 7.775 ( 2.722 -0.060 -2.359) 3.603 8.226 ( 1.276 3.441 -1.937) 4.150 8.321 ( -0.849 -4.123 1.967) 4.647 8.691 ( -0.092 -3.306 4.422) 5.521 8.836 ( -3.315 1.246 0.070) 3.542 8.989 ( 7.075 5.551 0.760) 9.025 9.381 ( -7.171 -4.365 -12.178) 14.791 9.650 ( -5.294 -8.647 -1.029) 10.191 9.933 ( 2.322 9.416 12.904) 16.142 10.378 ( 4.806 3.226 2.659) 6.370 11.276 ( -1.149 -0.251 -1.683) 2.053 11.948 ( 0.331 0.605 -4.086) 4.144 12.316 ( 0.076 -0.098 -0.442) 0.459 13.794 ( -0.461 -1.816 0.468) 1.931 14.514 ( 3.443 -1.652 -2.936) 4.817 14.796 ( -1.063 0.872 0.562) 1.485 14.944 ( -1.141 0.498 2.016) 2.369 17.925 ( 0.248 -0.429 -0.179) 0.527 18.605 ( -0.086 0.378 -0.159) 0.419 19.018 ( 0.106 -0.479 -0.135) 0.508 19.540 ( -0.700 0.296 1.120) 1.353 ======================= Grid point 213 (66/324) ======================= q-point: (-0.43 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.473 ( 4.423 1.587 -2.592) 5.366 1.565 ( -4.350 1.530 0.975) 4.713 1.662 ( 0.215 -0.112 -1.453) 1.473 2.088 ( -0.315 0.398 0.257) 0.569 2.417 ( -2.830 5.396 -2.236) 6.490 2.942 ( 2.101 3.091 -2.042) 4.259 3.093 ( -1.001 6.746 1.024) 6.896 3.202 ( 4.230 -2.474 0.289) 4.909 3.549 ( 4.703 5.201 -3.993) 8.069 3.654 ( -7.965 2.562 2.689) 8.789 3.769 ( -0.240 -2.431 -4.847) 5.428 3.882 ( 3.195 6.340 2.776) 7.623 4.148 ( 0.827 -11.438 2.708) 11.783 4.521 ( -1.650 -4.197 2.975) 5.403 5.338 ( -4.445 11.392 0.143) 12.229 5.625 ( -0.182 5.504 2.591) 6.086 5.866 ( 2.370 6.906 1.867) 7.536 6.176 ( 0.729 7.628 -4.136) 8.708 7.175 ( 4.192 10.472 1.388) 11.365 7.447 ( 0.162 -0.124 -0.392) 0.442 7.542 ( 4.455 0.214 -0.838) 4.538 7.815 ( -5.098 -5.791 -1.471) 7.854 8.188 ( 1.354 0.810 -3.071) 3.452 8.464 ( 4.638 -7.528 2.572) 9.209 8.626 ( -12.435 3.492 4.314) 13.618 8.929 ( 6.464 -5.467 2.845) 8.931 8.968 ( 6.437 -0.540 -2.190) 6.821 9.359 ( -6.225 -1.370 -11.401) 13.062 9.729 ( -4.152 5.681 4.081) 8.135 9.885 ( -3.979 -9.572 4.565) 11.326 10.420 ( 7.587 -2.446 3.734) 8.802 11.330 ( -1.245 -6.303 -1.375) 6.570 11.936 ( 6.538 0.904 -4.677) 8.089 12.305 ( -0.004 1.097 -0.611) 1.256 13.819 ( -1.662 -1.081 1.847) 2.709 14.555 ( 6.202 -0.457 -1.537) 6.406 14.779 ( -1.981 -0.061 -0.944) 2.195 14.990 ( 0.282 -4.900 1.746) 5.210 17.918 ( -2.568 0.433 -0.150) 2.609 18.614 ( 3.623 -0.391 -0.169) 3.648 19.038 ( 0.766 -1.373 0.106) 1.575 19.542 ( -6.472 -2.085 1.180) 6.901 ======================= Grid point 214 (67/324) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.445 ( 3.309 2.937 -2.268) 4.972 1.493 ( -2.491 4.338 -1.111) 5.125 1.669 ( -0.202 -0.842 -0.950) 1.286 2.069 ( -0.745 1.429 0.410) 1.663 2.250 ( -9.176 8.558 2.773) 12.850 2.809 ( -0.500 11.314 -1.482) 11.422 2.914 ( 0.804 9.459 -0.510) 9.507 3.267 ( 6.677 -0.943 -4.989) 8.388 3.407 ( 1.394 8.276 1.189) 8.476 3.630 ( -4.350 -0.444 6.016) 7.437 3.781 ( -1.456 0.420 -6.503) 6.677 3.876 ( 7.515 -1.330 -3.339) 8.330 4.380 ( -0.533 -10.939 5.256) 12.148 4.503 ( -3.502 8.630 1.385) 9.416 5.119 ( -1.159 7.020 1.508) 7.273 5.462 ( -2.519 11.170 1.540) 11.553 5.694 ( 3.468 13.291 3.455) 14.164 5.972 ( 0.425 12.254 -4.970) 13.231 7.025 ( 3.106 8.226 2.947) 9.273 7.433 ( -0.387 1.200 0.730) 1.457 7.526 ( 5.680 3.060 -1.049) 6.537 7.926 ( -1.110 -7.915 -1.199) 8.082 8.139 ( -3.946 3.312 -4.764) 7.016 8.539 ( -9.001 1.110 3.259) 9.637 8.621 ( 7.218 -4.322 1.940) 8.634 9.021 ( 10.046 -1.887 0.030) 10.222 9.106 ( -2.599 -9.094 4.184) 10.342 9.319 ( -4.796 -1.724 -10.220) 11.421 9.585 ( -2.292 6.420 3.160) 7.514 10.123 ( -4.669 -15.269 -1.146) 16.008 10.548 ( 6.164 -5.468 5.489) 9.901 11.475 ( 0.877 -8.907 -0.257) 8.953 11.956 ( 10.276 -0.098 -5.191) 11.513 12.272 ( 0.016 2.105 -1.213) 2.429 13.835 ( -2.743 -1.097 4.082) 5.039 14.572 ( 8.231 2.642 -1.039) 8.707 14.777 ( -2.594 -1.917 -3.285) 4.604 15.136 ( 1.700 -9.176 1.508) 9.454 17.887 ( -4.145 0.659 -0.477) 4.224 18.652 ( 5.187 -1.000 0.102) 5.284 19.079 ( 2.192 -2.148 0.485) 3.107 19.559 ( -12.083 -4.314 1.675) 12.939 ======================= Grid point 215 (68/324) ======================= q-point: (-0.29 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.349 ( -5.622 8.086 0.359) 9.854 1.380 ( 6.089 6.721 -4.400) 10.080 1.679 ( -0.254 -0.475 -0.711) 0.892 2.021 ( -5.506 4.404 3.353) 7.807 2.048 ( -8.912 6.670 4.167) 11.886 2.550 ( -2.209 13.556 -0.260) 13.738 2.756 ( 2.549 7.770 -4.992) 9.581 3.231 ( 5.389 6.513 -0.126) 8.454 3.339 ( 1.920 0.332 -0.472) 2.005 3.576 ( -9.046 5.803 -6.564) 12.593 3.746 ( 2.292 3.789 7.397) 8.621 3.848 ( 9.593 10.203 -3.710) 14.488 4.174 ( -5.777 16.407 -0.188) 17.395 4.601 ( 1.188 -9.224 3.032) 9.782 5.075 ( 2.633 2.360 2.199) 4.164 5.224 ( -4.554 11.106 -0.873) 12.035 5.454 ( 3.705 14.282 3.845) 15.248 5.736 ( -0.417 9.423 -3.022) 9.905 6.896 ( 0.019 7.949 2.771) 8.418 7.394 ( 0.835 3.844 0.141) 3.937 7.529 ( 3.984 -1.901 2.457) 5.053 7.972 ( -6.425 5.255 -3.366) 8.957 8.118 ( 5.402 -7.329 -2.803) 9.526 8.469 ( -7.364 2.579 -0.590) 7.825 8.723 ( 3.955 -2.831 2.661) 5.544 9.081 ( 3.695 0.235 3.245) 4.923 9.227 ( -2.862 -2.754 -5.234) 6.571 9.367 ( -4.010 -8.153 5.703) 10.727 9.529 ( 3.963 -0.837 -4.970) 6.411 10.376 ( -3.684 -14.326 -4.703) 15.522 10.717 ( 3.624 -7.486 7.602) 11.268 11.651 ( 8.381 -6.580 1.375) 10.743 12.005 ( 7.222 -1.868 -6.929) 10.182 12.223 ( -0.270 2.294 -1.726) 2.884 13.866 ( -2.627 -2.051 6.553) 7.352 14.526 ( 7.756 6.149 -1.579) 10.023 14.805 ( -0.495 -3.269 -5.988) 6.840 15.347 ( 2.144 -11.245 1.473) 11.542 17.855 ( -4.518 -0.016 -0.828) 4.593 18.702 ( 4.260 -1.512 0.405) 4.539 19.146 ( 4.200 -2.866 1.430) 5.282 19.588 ( -17.235 -6.109 2.546) 18.462 ======================= Grid point 216 (69/324) ======================= q-point: (-0.21 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.110 ( -4.235 14.174 0.682) 14.809 1.228 ( 1.903 11.502 -0.249) 11.661 1.675 ( -0.197 0.591 -0.801) 1.015 1.848 ( -15.083 7.227 9.175) 19.076 1.963 ( -1.744 3.751 -0.202) 4.142 2.309 ( -2.067 9.957 -1.085) 10.227 2.620 ( 3.380 6.176 -6.177) 9.366 3.095 ( -4.940 19.213 1.854) 19.925 3.209 ( 0.979 13.913 -2.246) 14.127 3.360 ( -0.270 0.043 0.329) 0.427 3.592 ( 0.550 13.792 -2.273) 13.989 3.710 ( 9.409 9.107 8.016) 15.353 3.925 ( -1.523 10.222 -4.400) 11.232 4.727 ( 2.176 -2.038 -4.797) 5.648 4.982 ( 0.329 10.753 -4.014) 11.482 5.042 ( -4.159 1.425 2.887) 5.260 5.265 ( 4.692 8.203 4.751) 10.577 5.657 ( -1.271 -1.302 2.139) 2.808 6.732 ( -2.108 9.337 1.017) 9.626 7.300 ( 1.751 6.749 1.197) 7.074 7.657 ( 2.344 -8.262 3.676) 9.342 7.815 ( -7.001 5.278 -4.195) 9.719 8.191 ( 2.800 6.639 2.861) 7.752 8.466 ( 0.194 -9.493 -7.218) 11.927 8.782 ( -0.187 -1.133 4.626) 4.767 9.089 ( -1.076 -0.912 -2.780) 3.117 9.228 ( -2.816 -1.052 3.681) 4.752 9.503 ( 5.267 -2.852 0.134) 5.991 9.610 ( -0.280 -6.537 -0.801) 6.592 10.577 ( -1.259 -10.224 -8.251) 13.198 10.912 ( 1.703 -8.760 8.629) 12.414 11.794 ( 19.494 0.379 -0.263) 19.500 12.050 ( -1.575 -4.431 -7.752) 9.067 12.180 ( -1.597 1.082 -1.244) 2.295 13.916 ( 0.160 -0.774 6.449) 6.497 14.419 ( 7.399 8.230 -2.457) 11.336 14.856 ( 1.738 -4.394 -7.251) 8.655 15.575 ( 1.613 -10.984 1.630) 11.221 17.842 ( -4.480 -1.440 -0.844) 4.781 18.751 ( 1.845 -1.838 0.741) 2.708 19.243 ( 5.651 -4.129 3.266) 7.724 19.625 ( -22.449 -7.560 3.966) 24.017 ======================= Grid point 217 (70/324) ======================= q-point: (-0.14 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.808 ( -3.578 16.043 7.340) 18.002 0.960 ( -2.401 17.327 5.407) 18.309 1.591 ( -18.067 15.595 12.655) 27.014 1.653 ( -0.372 2.649 -2.341) 3.555 1.883 ( -2.981 2.576 -3.090) 5.006 2.163 ( -0.363 4.610 -0.040) 4.625 2.519 ( 2.541 8.513 -5.810) 10.615 2.541 ( -3.382 21.485 0.872) 21.767 3.134 ( 5.952 3.734 2.573) 7.483 3.294 ( -1.127 15.424 -3.678) 15.897 3.357 ( -1.511 0.958 2.353) 2.956 3.570 ( 10.654 12.457 3.657) 16.794 3.703 ( -4.099 10.773 1.043) 11.574 4.688 ( 0.452 3.438 -14.983) 15.379 4.764 ( -1.413 5.052 -12.955) 13.977 5.072 ( -4.222 -1.884 9.489) 10.556 5.251 ( 7.978 -0.593 9.208) 12.198 5.721 ( -2.770 -4.116 3.842) 6.275 6.540 ( -2.021 9.645 -0.925) 9.898 7.179 ( 1.273 6.956 1.418) 7.212 7.686 ( -5.009 3.860 -2.621) 6.846 7.855 ( 0.866 -8.755 0.051) 8.797 8.029 ( -3.606 6.913 4.727) 9.118 8.641 ( 6.284 -3.782 -4.028) 8.368 8.825 ( -1.747 -5.219 -0.131) 5.505 9.103 ( -3.506 -3.567 -5.591) 7.502 9.268 ( -3.463 -2.661 6.307) 7.672 9.540 ( 7.995 1.378 -2.895) 8.614 9.709 ( -1.595 -2.890 6.425) 7.223 10.688 ( 5.959 -3.227 -10.638) 12.613 11.106 ( 0.389 -8.281 7.053) 10.884 11.799 ( 16.876 7.278 -7.407) 19.814 12.109 ( 1.069 -1.620 -4.172) 4.601 12.188 ( -3.645 -5.571 0.337) 6.666 13.855 ( 10.310 13.360 -6.991) 18.267 14.299 ( 5.785 6.889 -1.151) 9.069 14.984 ( 2.623 -10.873 0.301) 11.189 15.773 ( 0.548 -8.615 1.939) 8.847 17.860 ( -4.844 -3.241 -0.357) 5.839 18.793 ( -0.447 -1.843 1.298) 2.298 19.385 ( 5.033 -6.707 5.091) 9.810 19.669 ( -31.384 -10.438 7.151) 33.838 ======================= Grid point 218 (71/324) ======================= q-point: (-0.07 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.552 ( -2.448 13.542 16.432) 21.433 0.622 ( -6.291 17.358 14.239) 23.316 1.105 ( -21.526 26.266 25.200) 42.288 1.600 ( 0.970 2.453 -3.502) 4.384 1.818 ( -3.419 0.807 -7.918) 8.662 2.115 ( 0.555 1.728 0.977) 2.061 2.202 ( 1.717 9.443 2.406) 9.895 2.472 ( 5.005 2.060 -4.259) 6.888 2.973 ( -1.129 11.269 -5.881) 12.761 3.159 ( 1.304 1.117 5.492) 5.754 3.302 ( 2.271 5.510 1.523) 6.151 3.443 ( 5.000 4.928 2.486) 7.448 3.509 ( -3.735 7.813 4.772) 9.888 4.526 ( -4.354 3.313 -22.614) 23.266 4.736 ( -1.525 -4.312 -13.961) 14.691 5.121 ( -3.322 -2.876 10.547) 11.426 5.370 ( 7.563 -2.693 11.939) 14.387 5.781 ( -5.111 -2.815 4.080) 7.120 6.354 ( -0.616 8.682 -3.067) 9.228 7.076 ( 0.940 4.500 0.765) 4.660 7.599 ( -3.855 2.065 -2.565) 5.069 7.810 ( -6.416 4.371 -0.929) 7.819 8.122 ( 1.095 -6.468 3.882) 7.622 8.594 ( -3.576 5.740 -4.406) 8.071 8.865 ( -7.870 2.270 -17.894) 19.680 9.175 ( 2.926 -5.579 -3.625) 7.268 9.320 ( -7.872 -5.023 7.838) 12.191 9.540 ( 5.852 2.153 1.787) 6.486 9.744 ( -0.885 1.252 7.970) 8.116 10.702 ( 32.386 7.221 -6.642) 33.840 11.268 ( 6.805 -5.588 5.201) 10.227 11.709 ( 7.928 4.754 -6.095) 11.072 12.123 ( 0.493 -2.265 -0.775) 2.444 12.298 ( 0.084 -4.901 -0.173) 4.905 13.371 ( 21.958 43.035 -23.443) 53.700 14.219 ( 4.553 3.955 -0.981) 6.111 15.338 ( 6.419 -21.534 11.786) 25.374 15.907 ( -0.546 -4.705 2.233) 5.236 17.910 ( -5.800 -4.984 -0.719) 7.681 18.825 ( -1.378 -1.435 1.989) 2.813 19.556 ( 7.819 -4.881 0.663) 9.241 19.780 ( -62.895 -25.321 11.581) 68.782 ======================= Grid point 220 (72/324) ======================= q-point: ( 0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.546 ( 9.390 0.000 16.912) 19.344 0.571 ( 10.893 0.000 17.946) 20.993 1.133 ( 9.131 0.000 35.524) 36.678 1.567 ( 3.709 0.000 -4.954) 6.189 1.701 ( 0.935 0.000 -9.352) 9.399 2.077 ( -0.290 -0.000 -0.868) 0.915 2.241 ( 6.670 0.000 0.650) 6.701 2.577 ( 11.096 0.000 5.215) 12.260 2.753 ( -3.897 -0.000 -6.471) 7.554 3.088 ( -13.717 -0.000 5.845) 14.910 3.226 ( -5.759 -0.000 0.168) 5.761 3.492 ( 4.552 0.000 5.170) 6.888 3.523 ( 4.373 0.000 4.950) 6.605 4.185 ( -3.552 -0.000 -24.777) 25.030 4.577 ( -2.027 -0.000 -18.814) 18.923 5.179 ( -6.167 -0.000 10.644) 12.301 5.604 ( 2.640 0.000 4.781) 5.461 5.729 ( -7.013 -0.000 7.692) 10.409 6.225 ( 1.271 0.000 -0.001) 1.271 7.035 ( -0.876 -0.000 0.464) 0.992 7.547 ( 3.265 0.000 -4.033) 5.189 7.710 ( 3.372 0.000 -1.805) 3.825 8.038 ( 1.473 0.000 -1.059) 1.814 8.364 ( -10.003 -0.000 -2.343) 10.274 8.610 ( 0.532 0.000 1.879) 1.953 9.302 ( 6.047 0.000 -4.346) 7.447 9.480 ( -4.768 -0.000 -0.689) 4.817 9.569 ( 1.539 0.000 23.548) 23.598 9.720 ( 3.894 0.000 -0.503) 3.926 10.980 ( 3.314 0.000 -2.055) 3.900 11.605 ( -4.328 -0.000 -8.474) 9.515 11.805 ( 22.048 0.000 -25.653) 33.826 12.332 ( -0.577 -0.000 -1.126) 1.265 12.635 ( 34.352 0.000 -7.023) 35.063 12.636 ( 0.103 0.000 1.107) 1.112 14.308 ( 13.919 0.000 -3.227) 14.288 15.390 ( -53.035 -0.000 14.546) 54.994 15.984 ( -1.399 -0.000 3.346) 3.627 17.854 ( -2.589 -0.000 -0.332) 2.610 18.877 ( 2.311 0.000 3.055) 3.831 19.190 ( -25.689 -0.000 7.309) 26.709 19.783 ( 15.023 0.000 4.876) 15.795 ======================= Grid point 221 (73/324) ======================= q-point: ( 0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.775 ( 5.710 -13.413 14.251) 20.386 0.877 ( 13.694 -12.941 11.590) 22.121 1.386 ( 9.512 -8.710 20.716) 24.403 1.601 ( 4.013 -2.637 -3.629) 6.019 1.706 ( 2.414 -3.002 -6.746) 7.769 2.120 ( 0.703 -4.323 -1.332) 4.578 2.334 ( 8.685 -7.221 -1.354) 11.376 2.646 ( 9.459 -0.439 3.614) 10.135 2.859 ( -1.756 -12.938 -0.159) 13.057 3.048 ( -14.263 -1.846 5.975) 15.574 3.258 ( -6.857 -6.142 -0.000) 9.205 3.587 ( 1.266 -3.490 5.638) 6.751 3.616 ( 5.165 -8.500 3.326) 10.487 4.149 ( -1.280 -5.998 -21.389) 22.251 4.499 ( -0.536 0.653 -19.067) 19.086 5.172 ( -5.146 0.819 9.582) 10.908 5.584 ( -7.334 0.613 -2.534) 7.784 5.704 ( 1.800 4.426 11.963) 12.881 6.330 ( 1.373 -8.452 -1.209) 8.648 7.075 ( -2.107 -4.544 0.839) 5.079 7.537 ( 2.958 1.077 -2.793) 4.208 7.758 ( 2.725 -4.285 -1.712) 5.359 8.207 ( -0.545 7.584 3.361) 8.313 8.300 ( -4.063 -18.783 -7.126) 20.496 8.683 ( -1.374 -4.167 -0.974) 4.495 9.193 ( 4.770 11.220 -2.073) 12.366 9.417 ( 1.029 2.973 0.539) 3.192 9.679 ( -7.379 -1.977 11.934) 14.169 9.783 ( 8.443 -2.624 3.790) 9.619 10.939 ( 3.978 5.542 -3.236) 7.551 11.415 ( -2.477 13.831 -5.068) 14.937 11.750 ( 5.374 3.850 -13.083) 14.658 12.220 ( 4.871 9.910 3.146) 11.482 12.339 ( 3.456 0.994 -0.709) 3.665 13.408 ( 8.050 -31.572 -18.378) 37.408 14.398 ( 11.000 -2.574 -0.477) 11.307 15.004 ( -42.554 13.567 14.635) 47.001 15.923 ( -2.677 5.817 3.170) 7.145 17.840 ( 2.796 1.114 -1.001) 3.172 18.882 ( -1.728 1.068 4.154) 4.624 19.114 ( -7.675 0.541 0.628) 7.719 19.850 ( 16.352 3.411 5.225) 17.502 ======================= Grid point 222 (74/324) ======================= q-point: ( 0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.115 ( 3.885 -13.814 10.196) 17.603 1.201 ( 10.655 -12.325 9.480) 18.849 1.545 ( 3.608 -1.923 0.294) 4.099 1.665 ( 2.850 -2.188 -1.971) 4.098 1.817 ( 4.384 -6.427 0.418) 7.791 2.212 ( 2.982 -4.734 -1.785) 5.873 2.617 ( 9.913 -16.293 -5.524) 19.855 2.733 ( 8.558 -3.230 0.062) 9.147 3.038 ( -12.534 -4.249 4.497) 13.978 3.202 ( 0.997 -20.664 10.254) 23.090 3.353 ( -5.805 -6.845 -0.412) 8.984 3.687 ( -2.471 -4.379 6.582) 8.283 3.861 ( 3.953 -14.024 -0.958) 14.601 4.294 ( 1.370 -15.612 -14.595) 21.415 4.450 ( -0.415 -2.590 -16.280) 16.490 5.148 ( -6.046 2.143 8.106) 10.338 5.509 ( -10.410 1.095 -3.210) 10.949 5.668 ( 4.813 4.203 9.596) 11.529 6.506 ( 1.352 -9.332 -0.744) 9.458 7.181 ( -3.497 -7.504 1.635) 8.438 7.498 ( 2.334 4.327 -1.619) 5.176 7.886 ( 2.440 -7.968 -2.815) 8.796 8.106 ( 2.680 2.504 1.487) 3.958 8.572 ( -6.752 -11.540 1.747) 13.483 8.700 ( -2.803 0.589 -3.937) 4.868 8.987 ( 8.099 12.486 -0.023) 14.883 9.390 ( 3.252 0.662 -2.388) 4.088 9.628 ( -11.766 3.524 1.820) 12.417 9.878 ( 8.078 0.274 9.225) 12.265 10.774 ( 7.780 13.573 -6.873) 17.088 11.162 ( -6.160 9.166 3.932) 11.723 11.660 ( -6.401 2.042 -5.659) 8.785 12.159 ( 3.853 1.008 -1.578) 4.284 12.345 ( 4.264 1.306 -1.150) 4.605 13.767 ( -4.607 -10.604 -7.534) 13.799 14.454 ( -10.366 1.090 12.512) 16.285 14.703 ( -3.834 2.632 -9.797) 10.845 15.770 ( -3.752 9.364 2.451) 10.381 17.835 ( 5.348 1.237 -1.637) 5.728 18.841 ( -7.768 2.000 4.364) 9.131 19.084 ( 1.247 0.971 -1.866) 2.445 19.857 ( 15.244 6.082 4.763) 17.090 ======================= Grid point 223 (75/324) ======================= q-point: ( 0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.347 ( 5.227 -6.066 6.148) 10.095 1.524 ( -3.351 -11.964 10.960) 16.567 1.588 ( 10.419 -3.927 -5.522) 12.428 1.700 ( 3.037 -1.408 -3.539) 4.871 1.941 ( 3.500 -4.287 0.796) 5.591 2.328 ( 3.731 -6.725 -2.137) 7.982 2.839 ( 8.793 -3.294 -1.197) 9.465 2.902 ( 5.675 -11.224 -9.263) 15.620 3.084 ( -9.260 -5.625 3.170) 11.289 3.426 ( -4.728 -3.589 0.329) 5.945 3.726 ( 4.466 -22.285 9.658) 24.695 3.745 ( -5.080 -6.700 5.463) 10.026 4.143 ( 1.707 -13.280 -1.900) 13.524 4.536 ( 1.507 -11.835 -9.034) 14.965 4.627 ( 2.172 -21.038 -7.692) 22.505 5.059 ( -8.675 5.655 5.583) 11.765 5.413 ( -4.293 4.843 0.880) 6.532 5.696 ( 0.095 -4.569 3.358) 5.671 6.683 ( 0.527 -8.872 1.126) 8.959 7.315 ( -4.477 -7.845 1.499) 9.156 7.404 ( 2.358 5.531 -0.643) 6.047 8.027 ( 2.434 -5.257 -2.513) 6.315 8.138 ( 3.940 -2.673 -0.981) 4.861 8.608 ( -1.285 2.409 -6.834) 7.359 8.659 ( -8.727 1.066 6.186) 10.750 8.858 ( 8.624 6.083 2.942) 10.955 9.390 ( -1.980 1.641 -2.726) 3.748 9.477 ( -6.719 3.870 -3.688) 8.587 9.905 ( 5.707 4.116 10.301) 12.475 10.505 ( 7.907 15.619 -6.937) 18.831 11.003 ( -6.918 6.830 6.496) 11.692 11.583 ( -9.373 0.305 -2.439) 9.690 12.181 ( 3.377 -1.686 -2.436) 4.492 12.291 ( 0.788 6.139 -1.041) 6.277 13.770 ( -11.390 1.890 3.452) 12.050 14.418 ( -9.134 -2.644 0.417) 9.518 14.723 ( 8.531 -2.452 -9.010) 12.648 15.559 ( -4.513 11.086 2.035) 12.141 17.842 ( 6.473 0.613 -1.797) 6.746 18.764 ( -10.353 2.195 3.457) 11.134 19.070 ( 3.887 1.436 -1.944) 4.577 19.816 ( 13.309 7.267 3.765) 15.624 ======================= Grid point 224 (76/324) ======================= q-point: ( 0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.455 ( 5.228 -1.683 1.735) 5.759 1.575 ( -5.318 -1.435 2.560) 6.074 1.702 ( 1.313 -0.422 -0.713) 1.552 1.893 ( 10.274 -13.216 -0.802) 16.759 2.024 ( 4.096 -2.782 -0.141) 4.954 2.494 ( 3.022 -9.644 -2.590) 10.433 2.924 ( 7.190 -2.175 -4.720) 8.872 3.059 ( -0.384 -6.082 -2.643) 6.643 3.195 ( -1.562 -8.942 0.664) 9.102 3.446 ( -2.663 -1.174 -0.550) 2.961 3.732 ( -7.288 -0.334 1.916) 7.543 4.142 ( 0.268 -8.971 -3.126) 9.504 4.432 ( 2.644 -16.518 10.294) 19.642 4.793 ( 2.427 -8.086 4.727) 9.675 4.910 ( -8.315 1.874 0.584) 8.543 5.018 ( 3.052 -20.124 -6.351) 21.322 5.326 ( -0.914 0.225 0.528) 1.080 5.854 ( -2.800 -11.496 -0.292) 11.836 6.856 ( -0.460 -8.705 4.031) 9.604 7.329 ( 1.674 2.022 -1.865) 3.220 7.431 ( -5.734 -5.768 1.302) 8.237 8.024 ( -0.272 5.009 -3.457) 6.092 8.224 ( 7.268 -4.120 -3.559) 9.081 8.563 ( -1.976 4.695 3.899) 6.414 8.626 ( -0.675 -4.557 -3.178) 5.597 8.796 ( 2.217 5.817 3.482) 7.133 9.231 ( -10.681 6.370 -1.274) 12.501 9.466 ( 1.523 -1.587 -5.922) 6.318 9.818 ( 1.951 11.093 7.721) 13.656 10.277 ( 9.156 10.339 -3.010) 14.134 10.855 ( -5.637 7.997 7.273) 12.191 11.530 ( -6.911 0.628 -1.643) 7.131 12.121 ( -5.334 9.046 -1.408) 10.595 12.230 ( 2.523 -2.323 -1.821) 3.882 13.704 ( -6.743 0.254 3.450) 7.579 14.434 ( -3.922 -2.684 -5.019) 6.912 14.778 ( 5.473 -1.517 -3.452) 6.646 15.333 ( -4.663 10.701 1.994) 11.842 17.868 ( 6.704 -0.240 -1.562) 6.888 18.682 ( -10.097 1.698 2.282) 10.490 19.054 ( 3.306 1.667 -1.407) 3.961 19.751 ( 10.915 7.197 2.696) 13.349 ======================= Grid point 225 (77/324) ======================= q-point: ( 0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.494 ( 5.217 0.101 -1.259) 5.368 1.576 ( -5.704 -0.908 2.823) 6.428 1.704 ( 0.907 0.375 -1.093) 1.469 2.054 ( 1.106 -1.797 0.637) 2.204 2.203 ( 12.763 -10.937 -3.441) 17.157 2.689 ( 1.417 -10.235 -3.729) 10.985 2.967 ( 2.520 -1.195 -1.938) 3.397 3.132 ( -1.125 -3.044 -0.603) 3.301 3.389 ( 1.448 -11.065 -0.568) 11.173 3.460 ( 2.434 -1.187 -2.322) 3.568 3.708 ( -10.024 -1.338 2.956) 10.536 4.196 ( 0.355 -0.892 -4.930) 5.022 4.530 ( -2.923 9.617 7.490) 12.536 4.687 ( -6.590 10.074 7.366) 14.112 5.155 ( 6.933 -17.105 3.272) 18.745 5.333 ( 0.964 -13.458 -2.520) 13.726 5.498 ( -0.296 -16.164 -1.866) 16.274 6.058 ( -2.712 -11.146 -1.950) 11.636 7.034 ( -1.457 -8.978 6.206) 11.011 7.324 ( -1.789 -2.002 -3.304) 4.257 7.484 ( -5.251 -2.843 -0.289) 5.978 7.912 ( 5.361 5.112 -4.042) 8.438 8.298 ( 4.963 -0.239 -4.367) 6.615 8.482 ( -2.296 4.784 6.819) 8.641 8.632 ( 5.472 6.036 1.777) 8.339 8.781 ( -4.149 -6.552 -4.437) 8.935 9.099 ( -8.231 1.759 -0.161) 8.419 9.463 ( -1.252 2.098 -1.850) 3.065 9.589 ( -0.740 11.321 -1.216) 11.410 10.188 ( 9.445 5.551 4.066) 11.686 10.687 ( -3.247 9.644 6.671) 12.167 11.449 ( -2.360 5.451 -1.684) 6.174 11.951 ( -8.534 3.013 -2.689) 9.441 12.276 ( 1.519 -1.845 -1.156) 2.655 13.711 ( -2.213 -2.121 1.786) 3.548 14.444 ( -1.267 -1.889 -5.158) 5.637 14.811 ( 2.495 -0.375 -0.548) 2.582 15.133 ( -4.108 8.541 2.087) 9.704 17.905 ( 5.786 -0.506 -1.013) 5.896 18.617 ( -8.080 0.618 1.124) 8.181 19.034 ( 1.813 1.426 -0.780) 2.435 19.679 ( 7.881 6.359 1.818) 10.288 ======================= Grid point 226 (78/324) ======================= q-point: ( 0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.508 ( 5.200 0.533 -2.485) 5.788 1.569 ( -5.651 -0.551 2.596) 6.243 1.691 ( 0.530 0.950 -1.213) 1.629 2.081 ( 0.748 -0.636 0.199) 1.002 2.424 ( 11.374 -6.254 -6.172) 14.373 2.845 ( -0.721 -6.862 -2.245) 7.256 3.015 ( -0.278 -4.364 0.894) 4.463 3.164 ( 0.977 -0.785 -0.366) 1.306 3.502 ( 6.776 -1.621 -4.588) 8.342 3.609 ( 0.858 -11.491 -1.213) 11.586 3.692 ( -12.246 -1.788 3.864) 12.965 4.172 ( 3.661 5.570 -2.693) 7.189 4.301 ( -2.242 11.723 7.778) 14.246 4.463 ( -7.478 9.239 3.484) 12.386 5.447 ( 1.432 -7.749 1.254) 7.979 5.544 ( 1.908 -9.206 1.831) 9.578 5.774 ( 0.681 -11.761 -0.921) 11.817 6.208 ( -1.359 -6.173 -2.760) 6.897 7.218 ( -2.481 -9.586 5.484) 11.319 7.354 ( -5.084 -4.386 -3.774) 7.703 7.484 ( -0.576 1.355 -1.438) 2.058 7.873 ( 10.571 3.336 -2.485) 11.360 8.262 ( 2.579 2.986 -3.506) 5.278 8.357 ( -3.623 6.372 4.156) 8.426 8.650 ( 4.866 -2.422 2.724) 6.080 8.824 ( -6.257 -0.956 -1.368) 6.476 9.081 ( -4.245 -2.408 -0.869) 4.957 9.302 ( -1.122 8.254 -1.760) 8.513 9.518 ( -3.841 -2.813 -4.257) 6.386 10.144 ( 5.779 6.695 8.493) 12.262 10.519 ( 1.196 8.238 4.349) 9.392 11.314 ( -1.869 5.620 -2.057) 6.269 11.908 ( -4.126 -2.109 -3.756) 5.964 12.305 ( 0.654 -0.954 -0.700) 1.351 13.754 ( -0.506 -2.345 0.702) 2.499 14.471 ( 1.067 -2.680 -4.066) 4.985 14.815 ( 0.504 0.784 0.840) 1.255 14.992 ( -3.057 4.896 1.982) 6.103 17.932 ( 3.391 0.172 -0.411) 3.420 18.588 ( -4.445 -0.818 0.207) 4.524 19.018 ( 0.526 0.612 -0.319) 0.868 19.606 ( 4.007 5.055 1.259) 6.573 ======================= Grid point 227 (79/324) ======================= q-point: (-0.43 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.513 ( 4.580 1.005 -2.161) 5.163 1.556 ( -4.433 -0.262 1.227) 4.607 1.670 ( 0.363 1.040 -1.352) 1.744 2.090 ( 0.251 -0.073 0.023) 0.262 2.481 ( 3.641 2.251 -5.449) 6.929 2.949 ( 1.787 -3.827 0.151) 4.226 3.102 ( 0.109 -3.364 -2.133) 3.985 3.188 ( 2.790 -1.275 1.576) 3.449 3.549 ( 5.293 -1.615 -6.958) 8.890 3.660 ( -9.157 -0.297 2.427) 9.478 3.801 ( 0.355 -4.470 -1.357) 4.685 3.971 ( -1.046 8.241 0.312) 8.313 4.142 ( 1.610 9.574 10.858) 14.566 4.409 ( -4.564 -5.530 -0.161) 7.172 5.472 ( -2.493 3.973 0.522) 4.719 5.676 ( 1.772 -1.780 2.345) 3.436 5.918 ( 1.365 -2.865 0.359) 3.194 6.248 ( -0.133 0.735 -3.200) 3.286 7.354 ( 0.423 1.286 1.385) 1.937 7.403 ( -0.573 -1.631 -1.527) 2.306 7.459 ( -2.679 -6.515 -0.605) 7.071 7.824 ( 8.818 6.571 -2.000) 11.178 8.233 ( 2.185 2.520 -1.972) 3.874 8.330 ( 0.208 -6.100 1.786) 6.360 8.649 ( -11.181 3.500 3.657) 12.274 8.843 ( 2.525 -4.490 1.103) 5.268 9.073 ( 6.004 3.719 3.249) 7.774 9.231 ( -6.157 -3.259 -11.796) 13.700 9.588 ( -4.883 -7.813 -1.053) 9.274 10.014 ( -0.734 10.945 9.739) 14.669 10.459 ( 6.423 1.511 3.184) 7.326 11.245 ( -2.412 -0.630 -1.927) 3.150 11.935 ( 2.530 -2.140 -4.295) 5.425 12.314 ( 0.172 0.030 -0.462) 0.494 13.790 ( -0.748 -1.573 0.423) 1.792 14.530 ( 3.140 -3.448 -3.222) 5.668 14.795 ( -0.322 1.712 1.283) 2.164 14.940 ( -1.929 -0.349 1.665) 2.572 17.927 ( 0.285 1.200 -0.169) 1.244 18.603 ( -0.120 -1.872 -0.175) 1.884 19.019 ( 0.121 -0.706 -0.135) 0.729 19.539 ( -0.739 3.320 1.122) 3.582 ======================= Grid point 228 (80/324) ======================= q-point: (-0.36 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.495 ( 0.051 1.967 -0.061) 1.969 1.540 ( 1.546 1.219 -2.209) 2.959 1.655 ( 0.154 0.020 -1.123) 1.134 2.086 ( -0.202 0.602 -0.113) 0.645 2.372 ( -3.917 7.448 -0.827) 8.456 2.957 ( 2.866 4.303 -1.471) 5.376 3.079 ( -1.285 5.621 -1.294) 5.910 3.255 ( 6.678 -2.188 -1.926) 7.287 3.566 ( 4.124 3.453 -5.714) 7.847 3.574 ( -8.700 2.267 -0.170) 8.992 3.759 ( 1.026 0.296 1.487) 1.831 3.918 ( 1.569 2.595 -0.617) 3.095 4.188 ( -0.700 -9.483 9.956) 13.767 4.513 ( -2.255 -4.975 1.320) 5.620 5.304 ( -2.800 11.364 0.780) 11.729 5.636 ( -0.360 6.768 1.477) 6.937 5.899 ( 1.924 5.803 0.965) 6.189 6.157 ( 0.543 7.800 -3.382) 8.519 7.223 ( 3.306 9.617 1.259) 10.247 7.438 ( -1.220 -1.077 -0.138) 1.633 7.591 ( 5.737 -2.387 -1.491) 6.390 7.771 ( -1.598 -2.557 -1.253) 3.265 8.178 ( 0.668 3.470 -3.394) 4.900 8.513 ( -5.474 -2.149 0.837) 5.940 8.545 ( -0.518 -5.827 4.806) 7.571 8.962 ( -1.216 -5.824 2.558) 6.476 9.069 ( 9.933 1.536 2.693) 10.406 9.221 ( -5.604 -2.830 -11.495) 13.098 9.682 ( -4.867 0.069 -1.150) 5.002 9.894 ( -3.089 -2.202 6.957) 7.924 10.519 ( 5.824 -2.621 4.051) 7.563 11.307 ( -1.405 -7.322 -0.881) 7.507 11.980 ( 7.412 -1.285 -4.257) 8.643 12.302 ( 0.224 1.210 -0.688) 1.410 13.809 ( -2.059 -1.036 1.144) 2.573 14.602 ( 5.101 -2.732 -3.149) 6.588 14.759 ( -1.223 1.903 0.478) 2.312 14.999 ( -0.415 -5.974 1.576) 6.192 17.893 ( -1.888 1.709 -0.419) 2.581 18.648 ( 2.908 -1.948 -0.093) 3.501 19.049 ( 1.279 -2.227 -0.082) 2.570 19.483 ( -6.230 1.134 1.455) 6.497 ======================= Grid point 229 (81/324) ======================= q-point: (-0.29 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.434 ( -3.385 3.900 1.093) 5.278 1.505 ( 7.145 3.835 -4.922) 9.485 1.662 ( 0.073 -0.826 -0.756) 1.123 2.063 ( -0.719 1.664 -0.183) 1.822 2.175 ( -9.237 9.804 3.704) 13.971 2.803 ( 1.171 12.790 -1.663) 12.951 2.915 ( 0.411 8.830 -1.181) 8.918 3.298 ( 5.357 -0.142 -4.778) 7.179 3.425 ( 0.521 6.532 0.950) 6.622 3.542 ( -6.553 0.116 -10.084) 12.026 3.807 ( 2.785 -0.990 9.344) 9.801 3.927 ( 6.147 -1.481 -4.874) 7.983 4.415 ( -3.676 -8.777 11.207) 14.701 4.480 ( -1.205 8.720 1.326) 8.903 5.116 ( -0.830 4.695 0.394) 4.784 5.444 ( -2.048 12.574 0.287) 12.743 5.735 ( 1.398 12.270 0.003) 12.350 5.953 ( 1.239 12.614 -2.130) 12.852 7.067 ( 1.640 8.956 2.200) 9.367 7.428 ( -0.981 0.968 0.367) 1.426 7.581 ( 5.753 3.378 -1.331) 6.803 7.914 ( 0.026 -10.439 -1.253) 10.514 8.073 ( -2.644 5.147 -3.773) 6.908 8.462 ( -8.045 0.305 2.556) 8.447 8.726 ( 9.259 -3.103 1.804) 9.930 9.071 ( -9.072 -6.589 2.208) 11.428 9.107 ( 6.818 -2.128 -3.872) 8.124 9.247 ( 0.411 -4.139 -0.037) 4.160 9.574 ( -1.672 4.806 0.279) 5.096 10.075 ( -3.160 -13.621 -1.617) 14.076 10.634 ( 2.910 -5.463 6.210) 8.768 11.487 ( 1.057 -11.370 0.723) 11.442 12.027 ( 9.116 -0.272 -4.305) 10.086 12.266 ( 0.597 2.416 -1.494) 2.903 13.824 ( -3.534 -1.775 2.815) 4.854 14.646 ( 7.274 2.029 -1.097) 7.631 14.727 ( -2.632 -1.360 -4.092) 5.052 15.159 ( 0.836 -9.861 1.598) 10.024 17.848 ( -2.582 1.435 -0.939) 3.100 18.698 ( 3.732 -1.486 0.013) 4.017 19.117 ( 4.294 -3.361 0.333) 5.464 19.443 ( -12.176 -1.337 2.112) 12.430 ======================= Grid point 230 (82/324) ======================= q-point: (-0.21 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.310 ( -3.053 8.253 1.765) 8.975 1.428 ( 9.033 7.462 -5.592) 12.982 1.674 ( 0.291 -0.415 -0.666) 0.837 1.946 ( -13.077 8.729 7.815) 17.557 2.021 ( -1.199 3.127 -0.352) 3.368 2.530 ( -0.919 14.234 -0.874) 14.291 2.759 ( 3.300 8.044 -3.552) 9.392 3.268 ( 1.247 4.451 -0.464) 4.646 3.362 ( 2.344 1.913 1.688) 3.464 3.416 ( -6.568 6.224 -13.701) 16.419 3.828 ( 1.209 5.015 8.782) 10.185 3.940 ( 10.648 6.478 -0.530) 12.475 4.121 ( -4.409 17.587 0.787) 18.149 4.638 ( -0.623 -7.929 7.361) 10.837 5.086 ( -1.029 2.026 -1.968) 3.006 5.182 ( -1.544 12.506 -1.218) 12.660 5.489 ( -0.267 11.970 -0.125) 11.974 5.731 ( 1.676 9.858 0.968) 10.047 6.905 ( -0.929 9.338 1.502) 9.503 7.402 ( 0.251 2.363 0.453) 2.419 7.563 ( 0.433 -0.896 -0.937) 1.367 7.906 ( -1.815 6.472 -0.932) 6.786 8.173 ( 7.140 -12.231 -2.359) 14.358 8.389 ( -6.900 4.775 1.038) 8.456 8.782 ( 3.512 -0.344 1.902) 4.009 9.039 ( -7.177 0.340 -6.534) 9.711 9.246 ( 5.759 -2.416 2.861) 6.870 9.374 ( -3.697 -9.639 8.913) 13.639 9.546 ( 4.865 -1.364 -4.024) 6.459 10.309 ( -2.237 -13.659 -6.780) 15.413 10.792 ( 0.724 -7.653 8.919) 11.775 11.729 ( 3.576 -12.082 2.248) 12.799 12.041 ( 8.068 2.262 -5.853) 10.220 12.213 ( 0.730 2.776 -2.174) 3.601 13.867 ( -4.310 -3.766 5.204) 7.735 14.584 ( 4.020 6.405 0.246) 7.566 14.763 ( 1.787 -3.768 -9.241) 10.138 15.373 ( 0.916 -11.432 1.646) 11.586 17.812 ( -2.301 0.463 -1.430) 2.749 18.741 ( 3.241 -1.170 0.007) 3.446 19.219 ( 7.736 -3.612 1.931) 8.753 19.421 ( -17.810 -3.815 2.490) 18.383 ======================= Grid point 231 (83/324) ======================= q-point: (-0.14 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.103 ( -0.304 13.320 4.604) 14.096 1.267 ( 6.528 13.005 -1.451) 14.624 1.671 ( 0.513 0.839 -0.852) 1.301 1.751 ( -14.657 7.585 9.193) 18.891 1.940 ( -1.225 4.660 -1.780) 5.137 2.293 ( 0.008 9.604 -0.654) 9.627 2.631 ( 4.841 6.419 -3.932) 8.950 3.021 ( -4.924 23.157 -4.015) 24.013 3.235 ( 1.371 4.478 0.495) 4.710 3.368 ( 0.794 0.610 2.384) 2.586 3.578 ( -0.841 17.572 -0.565) 17.601 3.829 ( 0.969 7.678 7.232) 10.592 3.914 ( 6.454 11.060 -2.737) 13.095 4.706 ( -0.594 1.401 -4.380) 4.637 4.882 ( -3.747 12.857 -13.950) 19.338 5.065 ( -1.085 0.325 7.009) 7.100 5.357 ( 3.972 4.439 8.023) 9.993 5.652 ( -1.802 -0.718 1.579) 2.501 6.716 ( -1.825 10.065 0.076) 10.230 7.323 ( 0.946 6.567 1.802) 6.875 7.609 ( -7.596 -5.354 -6.390) 11.279 7.816 ( 5.309 2.702 3.815) 7.074 8.206 ( -3.481 10.433 1.791) 11.143 8.468 ( 8.050 -14.149 -3.852) 16.728 8.803 ( -2.246 0.124 4.741) 5.247 8.982 ( -8.084 -1.521 -9.194) 12.337 9.287 ( 3.165 0.724 7.065) 7.775 9.558 ( 5.427 -5.151 -0.034) 7.483 9.619 ( 0.141 -5.268 3.997) 6.614 10.516 ( 0.412 -11.520 -9.422) 14.888 10.975 ( -0.623 -8.291 9.507) 12.630 11.962 ( -6.960 -6.218 -4.304) 10.277 11.992 ( 17.931 1.616 -1.388) 18.057 12.163 ( 0.640 1.942 -2.389) 3.145 13.939 ( -3.132 -2.826 5.414) 6.864 14.470 ( 4.363 7.547 -0.856) 8.760 14.821 ( 2.133 -5.330 -10.543) 12.004 15.595 ( 0.125 -10.926 1.812) 11.076 17.801 ( -1.839 -0.941 -1.572) 2.596 18.777 ( 2.725 -1.070 0.199) 2.935 19.328 ( 0.620 -3.046 7.350) 7.980 19.427 ( -13.737 -6.085 -0.040) 15.025 ======================= Grid point 232 (84/324) ======================= q-point: (-0.07 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.870 ( 3.427 14.092 11.495) 18.506 0.994 ( 1.472 18.446 5.959) 19.440 1.513 ( -11.998 15.637 13.071) 23.651 1.642 ( 1.210 2.204 -2.734) 3.714 1.831 ( -1.169 4.422 -5.325) 7.020 2.174 ( 1.522 4.016 0.546) 4.329 2.515 ( 2.918 18.522 -2.377) 18.900 2.561 ( 4.842 8.891 0.598) 10.141 3.167 ( -1.400 5.785 0.358) 5.962 3.244 ( -5.586 12.139 -0.650) 13.378 3.371 ( 1.500 2.421 1.865) 3.405 3.677 ( -3.304 9.687 3.061) 10.683 3.699 ( 8.864 14.105 4.129) 17.163 4.560 ( -3.111 10.058 -19.775) 22.403 4.657 ( -0.956 0.817 -14.731) 14.784 5.109 ( -2.564 -1.401 10.772) 11.162 5.399 ( 7.505 -1.675 11.415) 13.763 5.693 ( -5.762 -3.953 1.549) 7.157 6.517 ( -0.950 9.835 -1.307) 9.966 7.196 ( 0.092 7.161 1.617) 7.342 7.595 ( -5.806 0.016 -5.535) 8.021 7.879 ( 3.152 0.120 -2.093) 3.786 8.029 ( -2.654 2.075 6.687) 7.488 8.685 ( 4.412 1.193 -1.503) 4.812 8.789 ( -2.947 -2.539 -4.041) 5.609 8.980 ( -7.648 -7.577 -6.920) 12.798 9.310 ( 2.780 0.071 4.541) 5.325 9.620 ( 8.126 1.086 2.020) 8.444 9.735 ( -3.527 -3.919 7.610) 9.258 10.699 ( 7.823 -9.291 -8.769) 14.980 11.152 ( -0.907 -8.440 7.900) 11.596 11.850 ( 2.359 6.171 -9.380) 11.473 12.115 ( 2.782 0.281 -1.532) 3.189 12.197 ( 5.575 -6.106 0.868) 8.314 13.884 ( 4.138 11.583 -7.624) 14.472 14.355 ( 7.162 6.888 -2.012) 10.139 14.973 ( -5.757 -15.199 -0.443) 16.258 15.785 ( -0.729 -8.561 2.137) 8.854 17.818 ( -2.070 -2.262 -1.153) 3.276 18.812 ( 2.695 -0.983 0.873) 2.999 19.352 ( -27.413 -4.756 10.424) 29.712 19.531 ( 8.586 -4.968 0.534) 9.934 ======================= Grid point 235 (85/324) ======================= q-point: ( 0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.766 ( 13.924 0.000 13.516) 19.405 0.836 ( 19.653 0.000 13.166) 23.656 1.443 ( 12.587 0.000 23.230) 26.421 1.582 ( 5.514 0.000 -5.279) 7.634 1.671 ( 3.826 0.000 -6.335) 7.400 2.068 ( -0.087 -0.000 -1.384) 1.387 2.315 ( 9.376 0.000 -2.984) 9.840 2.670 ( -5.106 -0.000 -5.013) 7.156 2.763 ( 13.177 0.000 11.813) 17.697 2.973 ( -15.014 -0.000 7.187) 16.646 3.149 ( -9.049 -0.000 0.372) 9.057 3.570 ( 0.624 0.000 0.416) 0.750 3.572 ( 4.968 0.000 3.786) 6.246 4.031 ( 0.212 0.000 -17.285) 17.286 4.439 ( -1.090 -0.000 -20.435) 20.464 5.179 ( -6.490 -0.000 9.131) 11.203 5.526 ( -12.085 -0.000 -4.680) 12.960 5.805 ( 3.633 0.000 12.309) 12.834 6.243 ( 2.219 0.000 0.010) 2.219 7.023 ( -1.935 -0.000 0.375) 1.971 7.575 ( 6.379 0.000 -2.239) 6.760 7.751 ( 7.010 0.000 -3.163) 7.690 8.053 ( 2.922 0.000 -1.215) 3.164 8.286 ( -5.112 -0.000 0.831) 5.179 8.631 ( 1.014 0.000 2.227) 2.447 9.335 ( 3.750 0.000 -2.210) 4.353 9.415 ( -6.458 -0.000 -0.909) 6.522 9.730 ( 3.897 0.000 17.580) 18.007 9.765 ( 4.908 0.000 -0.407) 4.925 10.988 ( 0.902 0.000 -0.987) 1.337 11.485 ( -7.787 -0.000 -8.496) 11.524 11.798 ( 8.232 0.000 -21.416) 22.943 12.317 ( -0.914 -0.000 -1.006) 1.359 12.643 ( 0.017 0.000 0.980) 0.980 12.851 ( 21.640 0.000 -13.835) 25.684 14.433 ( 10.352 0.000 1.001) 10.400 14.936 ( -51.963 -0.000 19.598) 55.536 15.975 ( -4.448 -0.000 3.741) 5.812 17.868 ( 4.901 0.000 -0.780) 4.963 18.888 ( -6.271 -0.000 4.503) 7.720 19.106 ( 3.155 0.000 -2.623) 4.102 19.991 ( 17.417 0.000 5.747) 18.340 ======================= Grid point 236 (86/324) ======================= q-point: ( 0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.954 ( 11.744 -8.474 12.375) 19.050 1.098 ( 15.509 -9.667 10.032) 20.847 1.557 ( 6.666 -0.299 2.503) 7.127 1.629 ( 4.458 -2.548 -3.229) 6.066 1.743 ( 9.136 -4.977 3.922) 11.118 2.121 ( 1.757 -5.373 -2.038) 6.009 2.419 ( 11.005 -7.569 -4.515) 14.099 2.693 ( -0.434 -5.202 -2.954) 5.998 2.898 ( -8.371 -4.822 8.080) 12.594 2.989 ( 3.561 -6.399 13.733) 15.563 3.171 ( -9.567 -6.719 -0.074) 11.691 3.602 ( -0.711 -4.416 -1.515) 4.723 3.689 ( 4.755 -7.219 3.138) 9.196 4.043 ( 0.836 -6.441 -11.644) 13.333 4.368 ( -0.655 -0.282 -20.288) 20.301 5.164 ( -7.420 0.724 8.378) 11.215 5.439 ( -13.230 0.105 -5.801) 14.446 5.816 ( 4.117 4.330 10.118) 11.750 6.344 ( 2.306 -8.046 -0.621) 8.393 7.053 ( -3.133 -4.236 1.016) 5.366 7.581 ( 7.425 2.291 -0.179) 7.773 7.791 ( 5.386 -2.624 -1.573) 6.195 8.171 ( -2.111 0.702 -4.349) 4.885 8.296 ( 1.168 -11.769 3.843) 12.436 8.671 ( -0.498 -1.753 0.239) 1.838 9.223 ( 1.819 9.075 -0.762) 9.287 9.411 ( -1.453 -0.147 -1.450) 2.058 9.658 ( -3.958 5.896 3.143) 7.766 9.913 ( 7.186 -4.131 8.709) 12.023 10.954 ( 2.883 4.353 -2.804) 5.926 11.324 ( -7.189 9.406 -5.657) 13.121 11.704 ( 2.482 5.724 -13.506) 14.877 12.275 ( 3.193 7.943 0.761) 8.594 12.370 ( 3.006 4.139 -0.300) 5.125 13.366 ( 4.703 -26.140 -15.516) 30.760 14.471 ( -12.752 1.393 17.466) 21.670 14.700 ( -18.030 3.760 -0.474) 18.424 15.904 ( -4.878 5.795 3.230) 8.235 17.886 ( 6.737 1.077 -0.871) 6.878 18.843 ( -9.919 1.598 3.840) 10.755 19.120 ( 7.878 0.895 -2.754) 8.393 20.055 ( 15.724 4.260 5.812) 17.296 ======================= Grid point 237 (87/324) ======================= q-point: ( 0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.231 ( 6.199 -10.563 9.730) 15.643 1.372 ( 10.842 -9.160 8.681) 16.637 1.581 ( 5.719 -0.414 -4.114) 7.057 1.676 ( 2.995 -1.616 -3.581) 4.941 1.892 ( 7.080 -4.128 3.444) 8.890 2.236 ( 4.599 -5.333 -2.575) 7.498 2.666 ( 7.969 -12.928 -10.119) 18.249 2.812 ( 6.230 -5.605 1.138) 8.458 2.939 ( -11.865 -5.237 5.263) 13.997 3.269 ( -9.070 -8.279 -1.235) 12.343 3.337 ( 7.514 -20.174 17.041) 27.456 3.696 ( -3.183 -3.956 5.723) 7.650 3.876 ( 3.232 -11.392 -5.313) 12.979 4.246 ( 0.379 -17.269 -4.960) 17.971 4.349 ( 2.390 -4.988 -18.041) 18.869 5.111 ( -10.527 3.056 6.703) 12.848 5.375 ( -9.778 -2.183 -5.055) 11.222 5.762 ( 3.028 5.846 7.442) 9.936 6.523 ( 2.458 -9.222 -0.225) 9.547 7.149 ( -4.876 -7.249 2.304) 9.035 7.547 ( 6.930 5.994 1.714) 9.322 7.902 ( 3.849 -6.822 -2.280) 8.158 8.132 ( 3.388 0.261 -3.156) 4.637 8.538 ( -5.895 -9.924 6.442) 13.218 8.653 ( -0.892 2.961 -3.261) 4.495 9.064 ( 5.103 9.002 0.900) 10.387 9.394 ( -1.997 0.712 -1.989) 2.907 9.512 ( -6.519 5.766 -3.758) 9.480 10.008 ( 5.155 0.382 9.370) 10.701 10.804 ( 6.443 12.882 -6.952) 15.993 11.107 ( -7.469 7.326 2.240) 10.699 11.571 ( -4.021 4.105 -5.414) 7.895 12.192 ( 4.291 2.157 -1.461) 5.020 12.359 ( 0.304 1.195 -1.483) 1.928 13.664 ( -6.450 -9.388 -6.477) 13.103 14.342 ( -24.538 1.626 15.015) 28.813 14.695 ( 11.700 -2.466 -10.539) 15.939 15.739 ( -5.143 9.545 2.470) 11.120 17.895 ( 7.841 1.461 -1.023) 8.041 18.760 ( -11.644 2.252 3.571) 12.386 19.129 ( 8.292 1.927 -2.292) 8.816 20.037 ( 13.234 7.114 5.019) 15.841 ======================= Grid point 238 (88/324) ======================= q-point: ( 0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.428 ( 2.775 -5.252 5.859) 8.344 1.537 ( -1.111 -1.420 4.467) 4.817 1.690 ( 4.751 -3.053 0.615) 5.681 1.722 ( 11.411 -8.509 -5.309) 15.192 1.998 ( 5.942 -2.883 1.571) 6.789 2.362 ( 5.731 -6.358 -2.174) 8.831 2.849 ( 4.556 -7.387 -14.057) 16.520 2.951 ( -0.067 -5.144 6.476) 8.271 3.034 ( -1.100 -7.540 2.463) 8.008 3.356 ( -7.174 -5.721 -2.053) 9.403 3.720 ( -5.268 0.803 7.562) 9.251 3.854 ( 6.007 -21.975 8.140) 24.192 4.120 ( -1.453 -16.104 -4.117) 16.685 4.515 ( 5.392 -16.167 -8.720) 19.144 4.619 ( 2.598 -20.936 -3.307) 21.354 4.980 ( -12.683 5.823 4.531) 14.673 5.375 ( -2.696 -0.500 -1.284) 3.028 5.709 ( -1.705 0.178 3.271) 3.693 6.707 ( 2.155 -8.803 2.043) 9.291 7.270 ( -6.753 -7.281 2.384) 10.213 7.452 ( 6.062 7.445 1.894) 9.785 8.027 ( 1.565 -3.779 -3.296) 5.253 8.175 ( 6.423 -3.223 -5.363) 8.967 8.561 ( -2.477 1.688 -4.719) 5.591 8.624 ( -5.628 0.440 9.350) 10.922 8.959 ( 6.221 6.348 3.345) 9.497 9.274 ( -15.074 5.661 -2.120) 16.240 9.442 ( 5.953 0.249 -8.955) 10.756 10.013 ( 1.953 4.941 10.205) 11.505 10.542 ( 7.142 14.413 -5.954) 17.152 10.969 ( -6.144 5.724 4.464) 9.510 11.485 ( -6.268 0.696 -2.846) 6.919 12.203 ( 3.735 -1.202 -2.357) 4.577 12.267 ( -3.667 7.693 -1.148) 8.599 13.675 ( -11.075 -0.326 3.647) 11.664 14.321 ( -8.595 -4.564 -0.914) 9.774 14.768 ( 8.792 -1.924 -5.668) 10.636 15.521 ( -5.300 11.081 2.030) 12.449 17.910 ( 8.366 1.002 -1.137) 8.502 18.668 ( -11.763 2.023 3.045) 12.318 19.117 ( 6.753 2.680 -1.858) 7.499 19.966 ( 10.884 8.265 3.710) 14.161 ======================= Grid point 239 (89/324) ======================= q-point: ( 0.43 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.513 ( 1.479 -1.658 2.972) 3.710 1.543 ( -1.234 0.130 0.940) 1.557 1.707 ( 0.995 -0.170 -1.522) 1.827 1.987 ( 6.947 -8.826 1.060) 11.282 2.092 ( 10.386 -5.021 -1.510) 11.635 2.523 ( 5.460 -8.086 -2.107) 9.982 2.929 ( 2.948 -3.467 -10.165) 11.138 3.048 ( -4.048 -4.613 5.063) 7.956 3.204 ( 1.994 -9.200 1.136) 9.482 3.413 ( -1.408 -4.092 -2.732) 5.118 3.680 ( -7.136 1.961 7.035) 10.210 4.097 ( -2.155 -6.554 -8.243) 10.749 4.500 ( 0.084 -16.189 5.962) 17.252 4.799 ( -9.911 4.397 7.818) 13.367 4.893 ( 7.126 -17.334 -1.508) 18.803 5.018 ( 3.013 -19.181 -4.320) 19.891 5.331 ( 0.646 1.530 1.788) 2.440 5.806 ( -5.261 -11.189 -1.531) 12.459 6.892 ( 1.488 -8.526 5.313) 10.156 7.320 ( -4.555 1.108 -1.034) 4.801 7.394 ( -0.719 -1.430 1.904) 2.488 8.006 ( 3.087 3.682 -6.108) 7.771 8.271 ( 6.517 -3.859 -4.243) 8.681 8.571 ( -6.773 -0.445 5.450) 8.705 8.590 ( 1.664 -1.692 -0.544) 2.435 8.862 ( 4.554 9.172 3.277) 10.752 9.097 ( -12.727 3.646 -1.467) 13.320 9.439 ( 2.928 -0.248 -9.294) 9.747 9.866 ( -1.707 13.628 6.840) 15.343 10.364 ( 9.413 7.657 -0.235) 12.137 10.837 ( -5.283 6.857 4.499) 9.756 11.460 ( -3.659 -1.236 -2.631) 4.673 12.040 ( -8.196 11.134 -1.496) 13.906 12.246 ( 2.739 -1.905 -1.709) 3.749 13.661 ( -6.115 -2.023 4.223) 7.702 14.365 ( -3.306 -3.795 -4.695) 6.883 14.817 ( 5.446 -0.687 -2.247) 5.931 15.295 ( -5.078 10.381 1.896) 11.711 17.937 ( 8.064 0.419 -1.010) 8.138 18.587 ( -10.642 1.045 2.133) 10.904 19.088 ( 4.491 2.874 -1.271) 5.481 19.869 ( 8.516 8.286 2.479) 12.138 ======================= Grid point 240 (90/324) ======================= q-point: ( 0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.534 ( -5.212 -0.648 2.308) 5.737 1.542 ( 4.977 0.599 -0.946) 5.101 1.703 ( 0.473 0.431 -1.332) 1.477 2.073 ( 1.348 -1.083 0.931) 1.964 2.322 ( 14.541 -9.573 -3.859) 17.832 2.693 ( 3.287 -7.935 -3.060) 9.118 2.958 ( -1.430 -2.003 -1.890) 3.103 3.122 ( -1.268 -3.890 0.701) 4.151 3.401 ( 1.016 -10.339 0.175) 10.390 3.489 ( 4.613 -3.883 -2.024) 6.360 3.626 ( -9.269 1.306 5.517) 10.865 4.151 ( -1.602 -4.155 -7.593) 8.803 4.487 ( -8.862 9.509 1.954) 13.144 4.703 ( -1.713 10.608 8.032) 13.416 5.248 ( 6.199 -14.972 3.129) 16.504 5.336 ( 2.314 -14.041 -1.248) 14.285 5.494 ( 0.361 -16.048 0.178) 16.053 6.008 ( -3.784 -12.233 -2.980) 13.147 7.072 ( 0.237 -7.724 7.795) 10.976 7.259 ( -6.180 -0.311 -4.172) 7.462 7.447 ( -1.456 -3.477 -0.090) 3.771 7.955 ( 8.133 2.242 -4.766) 9.689 8.321 ( 3.422 0.590 -2.325) 4.179 8.501 ( -1.942 7.214 6.431) 9.857 8.689 ( -0.220 -5.089 -1.419) 5.288 8.722 ( 1.033 3.980 -1.843) 4.506 9.003 ( -9.166 0.420 0.178) 9.178 9.427 ( -1.202 -0.542 -5.223) 5.387 9.584 ( -1.011 15.134 2.560) 15.382 10.307 ( 7.954 5.176 4.454) 10.483 10.684 ( -3.727 7.876 2.884) 9.178 11.426 ( 0.559 5.106 -1.943) 5.492 11.842 ( -9.016 1.962 -2.722) 9.620 12.286 ( 1.690 -1.426 -1.132) 2.484 13.703 ( -2.193 -3.019 2.793) 4.660 14.403 ( -0.791 -3.194 -4.554) 5.618 14.836 ( 2.804 0.503 -0.185) 2.854 15.101 ( -4.429 7.946 1.826) 9.278 17.963 ( 6.320 0.684 -0.581) 6.383 18.540 ( -8.005 -0.771 1.014) 8.106 19.052 ( 2.296 2.397 -0.628) 3.378 19.761 ( 5.845 7.743 1.569) 9.828 ======================= Grid point 241 (91/324) ======================= q-point: ( 0.57 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.526 ( -5.272 -0.623 2.021) 5.681 1.548 ( 5.318 0.842 -2.237) 5.831 1.688 ( 0.247 0.972 -1.186) 1.553 2.090 ( 0.759 -0.209 0.243) 0.824 2.498 ( 10.451 -2.448 -6.896) 12.758 2.837 ( 1.124 -7.526 -0.721) 7.644 3.010 ( -1.795 -4.548 1.080) 5.007 3.187 ( 3.385 -2.326 0.208) 4.112 3.554 ( 7.221 -1.333 -2.647) 7.806 3.570 ( -10.932 -2.065 1.160) 11.186 3.628 ( -0.252 -9.739 1.704) 9.890 4.186 ( 2.906 6.267 -4.184) 8.076 4.265 ( -9.159 0.997 1.019) 9.269 4.447 ( -2.960 15.433 7.458) 17.394 5.458 ( -0.225 -4.895 1.499) 5.124 5.587 ( 3.168 -9.605 1.872) 10.286 5.780 ( 0.952 -12.084 -0.083) 12.121 6.174 ( -1.289 -7.199 -3.214) 7.988 7.229 ( -3.033 -7.742 4.649) 9.527 7.275 ( -4.467 -5.540 -2.323) 7.486 7.483 ( 1.695 0.353 -1.704) 2.430 7.975 ( 11.909 1.044 -2.421) 12.197 8.272 ( 2.804 5.220 -2.800) 6.554 8.351 ( -2.482 5.471 3.666) 7.038 8.661 ( -6.376 2.376 0.580) 6.830 8.785 ( 0.946 -3.954 0.761) 4.137 8.997 ( -6.742 -5.074 -4.631) 9.625 9.323 ( 1.888 10.739 4.931) 11.967 9.459 ( -2.349 -3.298 -3.357) 5.260 10.229 ( 1.332 8.650 5.976) 10.597 10.553 ( 1.591 4.871 0.860) 5.196 11.284 ( -1.499 6.617 -1.535) 6.957 11.854 ( -1.634 -5.170 -3.425) 6.413 12.309 ( 0.792 -0.634 -0.642) 1.201 13.754 ( -0.585 -2.264 1.366) 2.708 14.457 ( 1.106 -3.957 -3.884) 5.654 14.829 ( 1.055 1.327 1.147) 2.047 14.969 ( -3.481 4.238 1.585) 5.709 17.964 ( 3.088 1.806 -0.177) 3.582 18.545 ( -3.845 -2.866 0.131) 4.798 19.023 ( 0.694 1.198 -0.190) 1.398 19.649 ( 2.740 6.887 1.086) 7.491 ======================= Grid point 242 (92/324) ======================= q-point: (-0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.511 ( -4.516 0.343 1.811) 4.878 1.557 ( 5.547 0.298 -3.284) 6.453 1.666 ( 0.328 1.025 -0.962) 1.444 2.093 ( 0.272 0.246 -0.169) 0.404 2.477 ( 1.715 5.006 -4.439) 6.907 2.966 ( 1.520 -3.947 -0.757) 4.296 3.089 ( 0.972 -3.120 -2.799) 4.303 3.252 ( 6.575 -1.487 2.063) 7.050 3.524 ( -6.762 -0.381 0.482) 6.790 3.613 ( 2.363 -1.189 -4.675) 5.372 3.800 ( 0.902 -4.184 -0.809) 4.356 3.955 ( -2.168 8.143 0.193) 8.429 4.208 ( -3.909 8.839 11.386) 14.934 4.367 ( -1.500 -8.310 -1.189) 8.527 5.457 ( -1.516 4.829 1.570) 5.299 5.701 ( 0.797 -0.736 1.215) 1.629 5.931 ( 0.859 -3.285 0.051) 3.396 6.229 ( 0.500 0.267 -2.770) 2.827 7.360 ( -1.358 -3.493 0.031) 3.748 7.375 ( -1.027 -4.400 -0.936) 4.614 7.448 ( 0.222 -1.815 0.296) 1.852 7.916 ( 10.646 10.756 -2.171) 15.289 8.243 ( 2.408 1.699 -2.249) 3.707 8.343 ( 0.227 -7.729 1.204) 7.826 8.543 ( -12.351 4.126 3.034) 13.371 8.872 ( 0.434 -4.318 2.224) 4.877 9.067 ( -3.896 -6.482 -9.336) 12.015 9.202 ( 6.164 6.002 4.824) 9.863 9.545 ( -2.720 -7.132 0.385) 7.642 10.037 ( -4.106 11.426 5.382) 13.281 10.530 ( 3.999 0.070 0.693) 4.059 11.212 ( -1.821 -0.900 -0.782) 2.176 11.946 ( 4.116 -4.433 -3.367) 6.923 12.314 ( 0.283 0.183 -0.378) 0.506 13.785 ( -0.715 -1.029 0.481) 1.342 14.535 ( 2.196 -4.422 -4.185) 6.472 14.807 ( 0.444 2.143 2.300) 3.175 14.926 ( -2.346 -1.197 1.191) 2.891 17.929 ( 0.228 2.608 -0.230) 2.628 18.601 ( -0.038 -3.770 -0.098) 3.772 19.019 ( 0.114 -0.793 -0.147) 0.815 19.539 ( -0.743 5.691 1.136) 5.851 ======================= Grid point 243 (93/324) ======================= q-point: (-0.29 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.475 ( -3.156 1.863 0.986) 3.795 1.567 ( 6.008 0.864 -3.666) 7.091 1.653 ( 0.514 0.106 -0.636) 0.824 2.082 ( -0.072 0.851 -0.526) 1.003 2.327 ( -4.005 9.080 -0.232) 9.926 2.975 ( 1.607 3.420 -1.293) 3.994 3.059 ( 0.725 6.500 -3.269) 7.312 3.308 ( 6.077 -0.751 -3.382) 6.995 3.476 ( -7.605 2.698 -2.316) 8.395 3.568 ( 3.335 4.795 -5.876) 8.285 3.807 ( 2.866 -2.638 6.568) 7.636 3.912 ( -0.187 0.641 -2.622) 2.706 4.243 ( -4.309 -8.810 13.674) 16.827 4.503 ( -0.277 -5.434 0.721) 5.489 5.289 ( -1.442 11.586 1.271) 11.744 5.635 ( -1.011 7.676 0.260) 7.746 5.909 ( -0.013 5.725 -1.403) 5.894 6.154 ( 1.908 7.457 -1.191) 7.789 7.255 ( 1.573 9.146 0.667) 9.304 7.424 ( -1.211 -1.504 0.115) 1.934 7.629 ( 3.226 -9.115 -1.417) 9.772 7.764 ( 1.545 4.972 -1.983) 5.571 8.167 ( 1.731 5.783 -2.638) 6.588 8.436 ( -8.182 0.880 2.667) 8.651 8.600 ( 3.359 -13.880 1.620) 14.372 8.946 ( -4.524 -3.262 2.112) 5.964 9.093 ( -2.072 -1.027 -9.442) 9.721 9.212 ( 9.266 -1.167 5.743) 10.964 9.635 ( -2.526 -0.226 -1.194) 2.802 9.891 ( -4.502 -1.017 4.337) 6.333 10.579 ( 1.499 -3.172 2.213) 4.149 11.296 ( -0.250 -8.311 0.585) 8.335 12.032 ( 6.554 -2.603 -2.962) 7.649 12.301 ( 0.362 1.269 -0.733) 1.510 13.792 ( -2.004 -0.538 0.489) 2.132 14.611 ( 2.142 -4.063 -5.976) 7.537 14.766 ( 0.517 3.286 2.674) 4.268 15.002 ( -0.780 -7.007 1.478) 7.203 17.875 ( -0.960 2.585 -0.686) 2.842 18.672 ( 1.817 -3.032 0.079) 3.535 19.060 ( 0.973 -3.478 -0.437) 3.638 19.437 ( -4.310 4.138 1.810) 6.243 ======================= Grid point 244 (94/324) ======================= q-point: (-0.21 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.412 ( -2.011 3.887 1.032) 4.496 1.554 ( 7.860 3.074 -4.835) 9.727 1.663 ( 0.780 -0.762 -0.497) 1.198 2.053 ( -0.654 2.403 -0.686) 2.583 2.109 ( -7.879 10.544 3.809) 13.703 2.805 ( 0.808 14.546 -1.793) 14.679 2.910 ( 0.550 6.871 -1.778) 7.119 3.319 ( 4.214 1.602 -4.005) 6.030 3.379 ( -5.443 0.982 -9.463) 10.960 3.468 ( 1.099 5.409 -1.581) 5.741 3.885 ( 1.143 0.013 2.849) 3.070 3.968 ( 6.525 -5.104 2.113) 8.549 4.419 ( -7.806 0.770 10.324) 12.966 4.523 ( 3.160 -0.152 7.338) 7.991 5.104 ( -1.121 4.528 -0.980) 4.767 5.423 ( -1.680 13.206 -0.907) 13.344 5.712 ( -2.304 12.813 -4.779) 13.868 5.979 ( 3.490 12.016 1.875) 12.652 7.083 ( -0.654 9.573 1.294) 9.682 7.418 ( -1.182 0.919 -0.167) 1.507 7.612 ( 2.283 4.674 -2.662) 5.843 7.908 ( 0.375 -11.658 -1.362) 11.744 8.058 ( 2.929 4.671 -0.320) 5.522 8.409 ( -4.644 -0.045 1.534) 4.891 8.820 ( 6.577 -2.375 -0.599) 7.018 8.960 ( -11.367 -2.520 -0.093) 11.644 9.112 ( 1.871 -7.149 -5.039) 8.944 9.325 ( 5.970 -2.733 8.989) 11.132 9.561 ( -0.335 2.664 -1.039) 2.879 10.033 ( -1.991 -11.917 -3.170) 12.491 10.683 ( -0.924 -6.453 6.108) 8.933 11.503 ( 0.436 -12.444 1.737) 12.572 12.087 ( 6.476 -0.464 -2.818) 7.078 12.264 ( 0.944 2.514 -1.776) 3.220 13.800 ( -3.747 -1.836 1.637) 4.483 14.668 ( -1.013 -2.962 -7.179) 7.832 14.708 ( 3.987 3.720 0.964) 5.538 15.173 ( -0.084 -10.326 1.754) 10.474 17.823 ( -0.765 1.911 -1.303) 2.436 18.729 ( 2.101 -1.877 0.151) 2.822 19.157 ( 2.078 -5.938 -0.827) 6.345 19.353 ( -6.687 2.523 3.242) 7.847 ======================= Grid point 245 (95/324) ======================= q-point: (-0.14 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.308 ( -0.164 7.274 2.682) 7.754 1.494 ( 10.809 7.010 -6.160) 14.280 1.678 ( 1.072 -0.308 -0.577) 1.256 1.863 ( -12.469 10.016 8.269) 18.005 2.008 ( -0.588 3.249 -1.026) 3.457 2.517 ( -0.543 14.146 -1.309) 14.217 2.779 ( 3.962 7.378 -2.189) 8.655 3.228 ( -3.262 6.666 -9.036) 11.693 3.307 ( -1.431 3.187 -6.426) 7.314 3.408 ( 2.635 1.778 3.508) 4.734 3.866 ( 0.687 4.115 0.023) 4.172 4.049 ( 6.738 8.871 3.133) 11.572 4.110 ( -0.411 15.954 6.851) 17.368 4.677 ( -2.556 -5.271 9.876) 11.483 5.044 ( -0.942 5.816 -6.222) 8.569 5.167 ( -1.103 10.572 -1.161) 10.692 5.450 ( -4.505 7.637 -2.678) 9.263 5.778 ( 3.674 11.304 3.552) 12.405 6.895 ( -2.197 9.919 0.667) 10.182 7.400 ( -0.929 0.292 -0.508) 1.098 7.528 ( -2.896 3.098 -3.276) 5.359 7.931 ( 5.008 4.773 1.794) 7.148 8.205 ( -0.009 -12.009 -1.278) 12.077 8.371 ( 2.671 3.027 2.006) 4.508 8.802 ( 0.530 1.576 -3.733) 4.087 8.917 ( -9.671 0.325 -1.824) 9.847 9.313 ( 5.092 -6.869 -0.572) 8.570 9.411 ( -1.651 -4.847 11.011) 12.143 9.583 ( 5.302 -3.035 -0.498) 6.129 10.247 ( -0.131 -13.098 -8.507) 15.618 10.843 ( -2.170 -8.312 9.404) 12.737 11.743 ( -3.026 -11.709 1.355) 12.170 12.099 ( 7.813 1.545 -2.953) 8.494 12.210 ( 1.681 2.954 -2.733) 4.361 13.844 ( -5.675 -4.609 4.044) 8.355 14.604 ( -1.253 5.250 1.008) 5.491 14.732 ( 5.049 -2.536 -11.093) 12.449 15.385 ( -0.608 -11.470 1.824) 11.630 17.791 ( 0.143 0.769 -1.842) 2.001 18.770 ( 2.194 -1.381 0.161) 2.597 19.252 ( -14.005 -3.737 0.061) 14.495 19.334 ( 8.724 -2.334 4.077) 9.908 ======================= Grid point 246 (96/324) ======================= q-point: (-0.07 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.157 ( 3.390 10.724 6.851) 13.169 1.340 ( 9.132 14.105 -1.373) 16.859 1.663 ( -12.553 6.853 7.727) 16.256 1.676 ( 1.457 1.024 -0.887) 1.990 1.920 ( -0.093 5.394 -2.043) 5.769 2.296 ( 1.308 8.524 -0.781) 8.659 2.672 ( 6.473 6.038 -1.554) 8.988 2.958 ( 0.575 17.930 -8.622) 19.904 3.220 ( -4.859 3.391 1.183) 6.043 3.407 ( 1.895 2.077 4.370) 5.197 3.579 ( -0.298 21.959 3.573) 22.250 3.823 ( -3.296 6.748 0.064) 7.511 4.012 ( 8.213 11.232 3.842) 14.435 4.659 ( -3.070 4.674 -4.372) 7.098 4.761 ( -0.723 16.726 -15.881) 23.076 5.090 ( -2.575 -1.765 6.599) 7.300 5.430 ( -0.142 -2.973 7.547) 8.113 5.648 ( -0.281 3.842 1.439) 4.113 6.697 ( -1.609 10.001 -0.292) 10.134 7.341 ( -0.085 6.881 2.118) 7.200 7.490 ( -6.173 -3.806 -6.542) 9.767 7.908 ( 7.789 1.716 2.083) 8.243 8.163 ( -5.526 8.510 1.373) 10.239 8.563 ( 11.417 -13.120 -0.398) 17.396 8.785 ( -4.158 -0.877 -1.258) 4.432 8.843 ( -9.248 1.397 -3.455) 9.971 9.353 ( 3.711 1.414 2.162) 4.522 9.599 ( -0.824 -9.399 3.047) 9.915 9.671 ( 4.454 -1.919 5.877) 7.620 10.475 ( 3.567 -13.380 -9.496) 16.790 11.015 ( -3.254 -8.016 9.319) 12.716 11.841 ( -10.116 -2.051 -4.392) 11.218 12.143 ( 6.716 -0.243 1.219) 6.830 12.171 ( 8.182 -0.452 -3.827) 9.044 13.919 ( -6.698 -3.764 4.457) 8.882 14.498 ( 0.513 5.758 1.439) 5.957 14.767 ( 2.143 -3.828 -13.136) 13.849 15.599 ( -1.583 -10.930 1.962) 11.217 17.786 ( 1.140 -0.542 -2.016) 2.379 18.808 ( 2.371 -1.346 0.618) 2.796 19.210 ( -17.624 -1.454 3.450) 18.017 19.491 ( 12.427 -5.626 2.674) 13.901 ======================= Grid point 250 (97/324) ======================= q-point: ( 0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.992 ( 14.422 0.000 10.925) 18.093 1.121 ( 19.619 0.000 11.614) 22.799 1.588 ( 2.976 0.000 -2.253) 3.733 1.615 ( 7.010 0.000 -5.083) 8.659 1.778 ( 14.132 0.000 9.356) 16.948 2.058 ( 0.520 0.000 -2.313) 2.371 2.398 ( 11.136 0.000 -5.261) 12.316 2.589 ( -5.647 -0.000 -2.688) 6.254 2.830 ( -13.073 -0.000 7.673) 15.159 3.038 ( 13.240 0.000 18.039) 22.376 3.047 ( -10.959 -0.000 0.223) 10.961 3.547 ( 1.616 0.000 -9.141) 9.283 3.639 ( 4.141 0.000 2.449) 4.811 3.973 ( 0.271 0.000 -3.361) 3.372 4.294 ( -1.244 -0.000 -21.290) 21.326 5.154 ( -9.179 -0.000 8.230) 12.328 5.346 ( -14.569 -0.000 -7.119) 16.215 5.911 ( 3.288 0.000 9.178) 9.750 6.270 ( 2.778 0.000 0.018) 2.778 7.001 ( -2.577 -0.000 0.127) 2.580 7.658 ( 10.296 0.000 1.409) 10.392 7.811 ( 7.888 0.000 -2.583) 8.300 8.081 ( 3.878 0.000 -1.218) 4.064 8.255 ( -3.406 -0.000 2.541) 4.249 8.658 ( 1.289 0.000 2.360) 2.689 9.334 ( -2.782 -0.000 -1.381) 3.106 9.340 ( -6.741 -0.000 -0.958) 6.808 9.813 ( 4.668 0.000 -0.294) 4.677 9.867 ( 5.734 0.000 10.306) 11.793 10.993 ( 1.590 0.000 -1.319) 2.066 11.350 ( -7.997 -0.000 -7.363) 10.871 11.731 ( 3.744 0.000 -18.500) 18.875 12.301 ( -1.079 -0.000 -0.731) 1.303 12.649 ( -0.070 -0.000 0.693) 0.696 12.941 ( 14.458 0.000 -15.273) 21.031 14.449 ( -35.451 -0.000 30.177) 46.556 14.661 ( 1.724 0.000 -8.999) 9.163 15.942 ( -6.090 -0.000 3.610) 7.079 17.933 ( 8.012 0.000 -0.196) 8.014 18.816 ( -10.529 -0.000 2.283) 10.773 19.170 ( 10.298 0.000 -2.295) 10.550 20.196 ( 14.210 0.000 6.324) 15.553 ======================= Grid point 251 (98/324) ======================= q-point: ( 0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.154 ( 12.534 -5.656 10.030) 17.020 1.317 ( 14.575 -6.091 9.417) 18.390 1.589 ( 2.973 -0.075 -4.628) 5.501 1.655 ( 5.772 -1.519 -3.846) 7.101 1.896 ( 11.173 -1.732 5.820) 12.717 2.134 ( 4.012 -6.865 -3.084) 8.529 2.486 ( 7.740 -6.269 -7.452) 12.439 2.662 ( -1.623 -10.010 -0.653) 10.162 2.815 ( -11.491 -2.891 7.117) 13.822 3.060 ( -10.875 -6.926 -0.594) 12.907 3.215 ( 11.951 -5.758 20.514) 24.430 3.576 ( 3.888 -5.303 -9.525) 11.574 3.751 ( 3.537 -6.859 2.897) 8.243 4.006 ( -2.008 -5.525 0.205) 5.882 4.236 ( 0.714 -1.742 -20.549) 20.635 5.111 ( -13.494 1.362 6.404) 14.998 5.263 ( -11.240 -1.472 -6.482) 13.058 5.906 ( 2.940 4.512 6.860) 8.722 6.368 ( 2.782 -7.821 -0.289) 8.306 7.025 ( -3.605 -3.943 1.114) 5.457 7.690 ( 11.552 3.178 3.432) 12.463 7.845 ( 6.645 -1.305 -1.280) 6.892 8.138 ( 0.734 -0.435 -4.023) 4.112 8.328 ( -1.079 -9.935 5.301) 11.312 8.677 ( 0.896 0.086 0.772) 1.186 9.210 ( -3.370 5.932 -0.988) 6.893 9.354 ( -8.789 -1.451 -1.166) 8.984 9.664 ( 4.351 11.133 -0.958) 11.992 10.024 ( 4.690 -4.152 6.524) 9.044 10.967 ( 3.409 3.882 -3.268) 6.113 11.215 ( -7.185 7.204 -4.441) 11.101 11.639 ( 1.601 5.098 -13.211) 14.251 12.296 ( 0.937 2.236 -0.705) 2.525 12.399 ( 2.879 9.712 -0.167) 10.131 13.313 ( 3.285 -21.648 -14.135) 26.062 14.298 ( -38.893 3.086 27.523) 47.747 14.692 ( 14.211 -1.341 -10.527) 17.736 15.866 ( -6.171 5.667 3.186) 8.964 17.965 ( 8.957 1.273 0.147) 9.049 18.749 ( -11.452 1.711 2.433) 11.832 19.204 ( 10.190 1.463 -1.932) 10.474 20.236 ( 11.639 4.772 6.128) 13.992 ======================= Grid point 252 (99/324) ======================= q-point: ( 0.36 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.355 ( 6.310 -6.151 7.947) 11.866 1.519 ( 5.853 -4.346 7.596) 10.528 1.622 ( 9.726 -4.474 -5.526) 12.048 1.690 ( 3.333 -0.632 -2.443) 4.181 1.994 ( 8.403 -2.073 2.818) 9.103 2.278 ( 6.761 -5.902 -2.845) 9.415 2.647 ( 1.527 -10.171 -10.783) 14.901 2.847 ( -5.912 -6.049 5.824) 10.270 2.900 ( 2.273 -9.687 1.280) 10.032 3.158 ( -10.623 -8.967 -1.085) 13.944 3.546 ( 10.357 -16.840 17.384) 26.326 3.701 ( 1.159 -6.070 -0.380) 6.191 3.865 ( -0.577 -5.309 -2.214) 5.781 4.220 ( -1.834 -16.464 -0.685) 16.580 4.291 ( 6.792 -10.634 -15.164) 19.727 5.000 ( -17.160 3.046 2.865) 17.662 5.264 ( -5.846 -4.834 -3.286) 8.267 5.824 ( 1.435 7.176 4.796) 8.750 6.553 ( 3.199 -9.533 0.088) 10.055 7.110 ( -5.835 -6.579 3.012) 9.295 7.660 ( 10.523 7.845 4.715) 13.947 7.935 ( 5.243 -5.122 -2.383) 7.707 8.141 ( 3.882 -1.332 -5.335) 6.731 8.504 ( -8.177 -6.076 5.142) 11.411 8.658 ( 3.023 2.190 1.172) 3.912 9.088 ( -1.348 5.037 -0.258) 5.221 9.275 ( -15.006 3.340 -1.457) 15.442 9.513 ( 9.771 6.202 -5.625) 12.868 10.093 ( 0.719 0.276 7.376) 7.417 10.819 ( 5.075 12.538 -7.241) 15.342 11.048 ( -5.875 5.338 1.548) 8.087 11.507 ( -1.201 5.003 -6.425) 8.231 12.226 ( 4.063 2.837 -1.462) 5.167 12.338 ( -2.309 2.168 -1.280) 3.416 13.558 ( -6.766 -8.225 -4.864) 11.708 14.189 ( -20.251 -2.596 11.655) 23.509 14.765 ( 11.587 -1.796 -6.910) 13.610 15.697 ( -5.847 9.532 2.545) 11.468 17.983 ( 9.570 1.849 0.059) 9.747 18.657 ( -11.965 2.283 2.965) 12.536 19.206 ( 8.612 2.883 -1.909) 9.280 20.187 ( 9.372 7.748 4.966) 13.135 ======================= Grid point 253 (100/324) ======================= q-point: ( 0.43 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.474 ( -0.797 -2.778 5.333) 6.066 1.567 ( 3.431 0.165 0.746) 3.515 1.702 ( 1.617 -0.240 -1.999) 2.583 1.846 ( 11.972 -10.560 0.714) 15.980 2.079 ( 8.119 -2.041 0.459) 8.384 2.420 ( 7.271 -6.265 -1.300) 9.685 2.789 ( 0.241 -7.995 -11.370) 13.901 2.942 ( -5.361 -5.777 3.920) 8.802 3.081 ( 2.453 -6.788 2.989) 7.812 3.269 ( -6.420 -8.033 -1.395) 10.377 3.740 ( -0.708 2.633 9.797) 10.169 3.898 ( -0.287 -9.777 -7.914) 12.582 4.113 ( 1.431 -23.420 6.115) 24.247 4.538 ( 8.815 -19.594 -7.693) 22.821 4.631 ( 1.417 -20.590 -0.312) 20.641 4.857 ( -15.474 3.603 2.812) 16.135 5.345 ( -0.902 -5.218 -1.844) 5.607 5.703 ( -2.951 4.931 2.796) 6.391 6.750 ( 3.336 -9.243 2.184) 10.067 7.208 ( -8.517 -5.955 3.193) 10.872 7.545 ( 7.967 10.156 3.475) 13.368 8.023 ( 3.364 -1.637 -5.624) 6.755 8.204 ( 6.135 -4.570 -5.499) 9.422 8.497 ( -5.699 -0.079 -1.102) 5.805 8.659 ( 0.265 1.809 9.029) 9.212 9.015 ( -0.074 3.021 2.327) 3.815 9.096 ( -14.682 5.776 -2.504) 15.974 9.467 ( 10.174 3.163 -9.642) 14.369 10.064 ( -3.816 5.680 8.776) 11.129 10.582 ( 7.404 11.615 -5.047) 14.669 10.931 ( -5.547 5.361 1.991) 7.967 11.419 ( -2.174 1.132 -3.943) 4.643 12.205 ( -5.209 8.714 -1.862) 10.322 12.230 ( 2.823 -0.179 -1.398) 3.155 13.594 ( -9.102 -2.632 4.315) 10.411 14.235 ( -6.621 -6.161 -1.224) 9.126 14.827 ( 8.021 -1.024 -3.710) 8.896 15.478 ( -5.415 11.021 2.065) 12.452 17.999 ( 9.669 1.580 -0.233) 9.800 18.565 ( -11.682 1.855 2.851) 12.167 19.175 ( 6.285 3.718 -1.741) 7.507 20.084 ( 7.429 8.915 3.500) 12.121 ======================= Grid point 254 (101/324) ======================= q-point: ( 0.50 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.502 ( -4.642 -0.791 3.669) 5.970 1.581 ( 5.240 0.742 -0.882) 5.365 1.705 ( 0.607 -0.003 -1.544) 1.659 2.048 ( 3.026 -3.905 2.281) 5.442 2.212 ( 14.354 -8.168 -2.520) 16.706 2.575 ( 6.019 -6.570 -1.167) 8.986 2.879 ( -0.067 -4.763 -9.124) 10.292 3.023 ( -5.697 -5.035 3.873) 8.532 3.233 ( 1.353 -8.291 1.263) 8.495 3.381 ( -3.858 -6.433 0.149) 7.503 3.697 ( 1.699 4.609 8.475) 9.796 3.995 ( -5.278 -6.980 -11.293) 14.287 4.507 ( -2.690 -8.584 1.210) 9.076 4.748 ( -9.244 -2.027 7.419) 12.025 4.971 ( 8.932 -20.793 -1.856) 22.706 5.024 ( 2.109 -19.057 -2.247) 19.304 5.363 ( 2.412 2.352 3.266) 4.692 5.733 ( -6.417 -11.055 -1.805) 12.910 6.949 ( 2.809 -8.806 5.084) 10.549 7.233 ( -9.737 -0.203 -0.073) 9.740 7.427 ( 3.228 4.111 1.550) 5.452 8.014 ( 6.542 1.606 -7.038) 9.742 8.307 ( 4.047 -3.180 -1.774) 5.444 8.515 ( -3.981 -5.186 -2.073) 6.859 8.636 ( 1.304 3.707 6.791) 7.846 8.890 ( -4.892 8.695 0.551) 9.992 8.984 ( -5.842 1.123 2.164) 6.330 9.419 ( 5.977 2.551 -10.743) 12.556 9.871 ( -5.103 13.792 6.386) 16.032 10.462 ( 8.976 5.901 0.641) 10.761 10.792 ( -6.791 6.334 0.236) 9.290 11.428 ( 1.062 -3.147 -3.007) 4.480 11.940 ( -8.943 12.852 -1.359) 15.716 12.264 ( 2.624 -1.518 -1.514) 3.389 13.633 ( -4.949 -3.744 5.295) 8.158 14.308 ( -2.086 -4.758 -4.249) 6.711 14.861 ( 5.076 0.152 -1.322) 5.247 15.254 ( -4.874 10.181 1.717) 11.418 18.020 ( 8.690 1.373 -0.344) 8.805 18.492 ( -10.204 0.386 2.066) 10.418 19.125 ( 3.855 3.791 -1.215) 5.542 19.956 ( 5.457 9.025 2.252) 10.784 ======================= Grid point 255 (102/324) ======================= q-point: ( 0.57 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.495 ( -4.976 -0.447 2.410) 5.547 1.587 ( 5.038 1.013 -1.569) 5.372 1.698 ( 0.134 0.453 -1.245) 1.332 2.091 ( 0.950 -0.468 0.864) 1.367 2.449 ( 14.577 -7.695 -4.277) 17.029 2.707 ( 2.006 -6.108 -2.479) 6.890 2.927 ( -2.371 -3.654 -0.520) 4.386 3.117 ( 0.375 -5.639 0.487) 5.672 3.408 ( -0.583 -8.666 0.324) 8.692 3.462 ( -9.424 -5.731 3.281) 11.508 3.656 ( 8.794 4.002 2.870) 10.079 4.067 ( -4.642 -7.126 -8.017) 11.688 4.410 ( -6.756 9.332 0.424) 11.529 4.718 ( -3.092 9.709 3.406) 10.743 5.308 ( 1.314 -11.839 3.636) 12.454 5.373 ( 5.792 -15.099 -0.930) 16.198 5.505 ( 0.097 -15.406 2.058) 15.543 5.951 ( -2.856 -13.568 -3.109) 14.209 7.133 ( 1.527 -7.023 7.718) 10.546 7.157 ( -7.681 0.083 -3.778) 8.561 7.444 ( 0.677 -3.059 -0.394) 3.158 8.015 ( 8.977 0.291 -4.833) 10.199 8.339 ( 0.632 0.389 1.206) 1.416 8.517 ( -0.446 8.852 1.417) 8.976 8.629 ( -2.492 -4.694 -6.012) 8.024 8.751 ( -0.610 2.985 4.163) 5.159 8.934 ( -4.532 1.783 1.649) 5.142 9.387 ( 0.794 -0.475 -5.638) 5.714 9.597 ( -1.533 13.985 5.426) 15.079 10.398 ( 4.307 6.584 2.944) 8.400 10.640 ( -4.705 5.329 -2.591) 7.566 11.441 ( 4.013 6.892 -1.035) 8.042 11.737 ( -7.815 -1.101 -2.357) 8.237 12.296 ( 1.595 -1.058 -0.979) 2.150 13.703 ( -1.812 -3.535 3.934) 5.590 14.372 ( 0.100 -4.150 -4.202) 5.907 14.866 ( 2.817 1.243 0.295) 3.093 15.066 ( -4.236 7.577 1.363) 8.787 18.025 ( 5.681 2.250 -0.109) 6.111 18.469 ( -6.645 -2.241 0.911) 7.072 19.070 ( 1.824 3.112 -0.545) 3.648 19.818 ( 3.317 8.649 1.374) 9.364 ======================= Grid point 256 (103/324) ======================= q-point: ( 0.64 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.487 ( -4.342 -0.563 1.481) 4.622 1.588 ( 4.959 0.886 -2.133) 5.471 1.682 ( 0.045 0.851 -0.914) 1.249 2.098 ( 0.442 0.132 0.154) 0.487 2.545 ( 7.013 1.606 -7.113) 10.117 2.857 ( 2.907 -8.265 -0.191) 8.763 2.999 ( -1.336 -4.785 1.239) 5.121 3.235 ( 5.336 -4.846 0.734) 7.245 3.454 ( -12.766 -2.243 2.432) 13.188 3.596 ( 0.887 -5.721 1.651) 6.020 3.677 ( 9.122 -2.414 -1.357) 9.533 4.159 ( -10.387 3.208 0.555) 10.885 4.179 ( 1.878 1.495 -7.436) 7.814 4.465 ( -2.961 13.860 6.875) 15.752 5.469 ( -0.213 -3.758 2.829) 4.709 5.619 ( 1.132 -8.657 0.784) 8.766 5.789 ( 0.701 -11.984 0.282) 12.008 6.148 ( 0.268 -8.174 -3.012) 8.715 7.177 ( -4.753 -7.172 -3.057) 9.131 7.277 ( -0.320 -5.717 5.770) 8.129 7.492 ( 2.036 -0.186 -1.761) 2.698 8.079 ( 10.185 -2.901 -2.303) 10.838 8.279 ( 2.243 9.960 -3.297) 10.728 8.349 ( -2.026 3.202 3.107) 4.900 8.570 ( -8.325 4.115 -1.394) 9.390 8.818 ( 1.274 -3.682 3.235) 5.064 8.911 ( -3.082 -3.423 -5.062) 6.844 9.381 ( -0.159 6.380 8.922) 10.970 9.439 ( 2.089 -1.411 -1.298) 2.836 10.241 ( -3.749 10.768 1.705) 11.528 10.555 ( 0.166 1.628 -3.620) 3.973 11.270 ( -0.025 7.888 0.051) 7.888 11.833 ( 0.910 -7.910 -2.385) 8.312 12.313 ( 0.769 -0.369 -0.475) 0.976 13.760 ( -0.369 -1.944 2.112) 2.894 14.445 ( 1.335 -4.563 -3.973) 6.196 14.851 ( 1.361 1.634 1.575) 2.646 14.941 ( -3.451 3.762 0.974) 5.197 17.990 ( 1.959 3.324 -0.001) 3.859 18.513 ( -2.307 -4.527 0.112) 5.082 19.029 ( 0.521 1.661 -0.100) 1.744 19.676 ( 1.117 7.983 0.964) 8.119 ======================= Grid point 257 (104/324) ======================= q-point: (-0.29 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.477 ( -3.226 0.017 0.710) 3.303 1.594 ( 4.998 0.394 -2.547) 5.624 1.665 ( 0.353 0.796 -0.459) 0.985 2.093 ( 0.162 0.504 -0.332) 0.625 2.463 ( 0.910 6.672 -4.078) 7.873 2.966 ( -0.370 -2.563 -1.090) 2.809 3.096 ( 4.281 -3.361 -3.665) 6.562 3.324 ( 3.400 -0.111 0.588) 3.452 3.453 ( -7.650 -2.774 4.782) 9.439 3.630 ( 7.166 1.725 -6.317) 9.707 3.809 ( 1.500 -3.699 -0.422) 4.014 3.933 ( -2.095 6.379 0.218) 6.718 4.183 ( -10.777 1.592 6.578) 12.726 4.384 ( 2.929 -4.772 2.684) 6.209 5.460 ( -0.466 5.393 2.604) 6.007 5.704 ( -1.077 -0.115 0.008) 1.083 5.933 ( -0.167 -2.852 -0.656) 2.932 6.227 ( 1.947 -0.437 -1.850) 2.721 7.328 ( -1.808 -9.157 -1.785) 9.502 7.383 ( 1.010 -1.632 0.918) 2.128 7.455 ( 0.379 0.094 0.501) 0.635 7.991 ( 5.439 14.216 -3.343) 15.583 8.266 ( 5.343 -0.438 -1.697) 5.623 8.343 ( -1.241 -7.633 0.176) 7.735 8.447 ( -9.593 2.848 3.457) 10.587 8.871 ( -1.390 -2.945 -0.639) 3.319 8.989 ( -0.730 -5.514 -6.106) 8.259 9.319 ( 7.092 3.999 9.131) 12.234 9.537 ( -0.339 -6.452 2.094) 6.792 10.000 ( -6.676 11.112 0.962) 12.999 10.539 ( -1.032 -1.161 -3.071) 3.441 11.206 ( 0.668 -0.984 1.087) 1.611 11.972 ( 3.847 -5.845 -2.067) 7.296 12.315 ( 0.339 0.346 -0.234) 0.538 13.783 ( -0.408 -0.239 0.596) 0.761 14.524 ( 1.482 -4.223 -4.993) 6.705 14.829 ( 0.338 2.198 2.963) 3.704 14.909 ( -1.907 -2.155 0.719) 2.966 17.929 ( 0.120 3.494 -0.318) 3.510 18.601 ( 0.097 -4.921 0.013) 4.922 19.019 ( 0.091 -0.717 -0.162) 0.741 19.538 ( -0.709 6.933 1.150) 7.063 ======================= Grid point 258 (105/324) ======================= q-point: (-0.21 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.453 ( -1.666 1.435 0.162) 2.205 1.605 ( 4.909 0.529 -2.717) 5.636 1.658 ( 0.983 0.014 -0.204) 1.004 2.078 ( 0.068 1.062 -0.804) 1.333 2.290 ( -2.325 10.226 -0.695) 10.510 2.967 ( -0.637 1.447 -2.145) 2.664 3.058 ( 2.491 9.383 -3.434) 10.297 3.304 ( -3.340 -0.417 -4.287) 5.450 3.426 ( 1.807 4.841 -1.849) 5.488 3.564 ( 3.604 5.161 -6.442) 9.006 3.883 ( 2.089 -4.309 0.198) 4.793 3.900 ( 1.232 -1.350 6.504) 6.756 4.256 ( -8.905 -10.007 12.280) 18.173 4.524 ( 2.232 -6.079 2.272) 6.863 5.290 ( -0.196 12.372 1.870) 12.514 5.618 ( -1.804 8.011 -0.856) 8.256 5.883 ( -1.659 7.019 -3.277) 7.922 6.179 ( 2.983 6.388 0.481) 7.066 7.263 ( -0.522 9.361 0.354) 9.382 7.416 ( -0.510 -1.610 0.053) 1.690 7.645 ( 1.809 -13.093 -0.974) 13.253 7.755 ( -0.648 9.578 -3.423) 10.192 8.199 ( 6.466 6.717 -0.041) 9.324 8.380 ( -5.428 -0.116 1.451) 5.620 8.607 ( -3.558 -15.362 -0.299) 15.772 8.919 ( 0.060 -2.505 -0.324) 2.526 9.035 ( -1.305 -1.599 -4.436) 4.892 9.356 ( 9.529 -0.155 7.937) 12.403 9.611 ( -1.041 1.547 -1.435) 2.353 9.860 ( -4.825 -2.728 2.030) 5.903 10.577 ( -3.162 -4.815 0.547) 5.787 11.309 ( 1.120 -8.374 1.813) 8.640 12.071 ( 3.657 -3.196 -1.782) 5.173 12.300 ( 0.412 1.371 -0.682) 1.586 13.775 ( -1.473 0.283 -0.018) 1.500 14.581 ( 0.575 -3.342 -6.834) 7.629 14.791 ( 0.498 2.891 2.701) 3.987 15.004 ( -0.727 -7.658 1.636) 7.864 17.865 ( 0.111 2.981 -0.875) 3.109 18.685 ( 0.436 -3.616 0.277) 3.652 19.060 ( -0.368 -3.694 -0.771) 3.792 19.422 ( -0.782 5.206 2.060) 5.653 ======================= Grid point 259 (106/324) ======================= q-point: (-0.14 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.407 ( 0.102 3.149 0.614) 3.210 1.600 ( 5.805 1.948 -3.493) 7.050 1.672 ( 1.408 -0.663 -0.300) 1.585 2.042 ( -0.184 4.944 -0.759) 5.005 2.065 ( -4.363 9.443 2.545) 10.710 2.791 ( -1.123 15.347 -2.294) 15.558 2.907 ( 1.192 4.772 -2.019) 5.317 3.269 ( -2.532 1.684 -10.415) 10.850 3.338 ( 3.602 4.215 -2.917) 6.265 3.477 ( 0.457 3.521 0.478) 3.583 3.874 ( 0.035 -0.125 -4.995) 4.997 4.077 ( 5.962 -5.473 8.621) 11.824 4.404 ( -7.451 -0.438 10.825) 13.149 4.612 ( 2.800 -1.077 9.876) 10.322 5.083 ( -1.156 6.143 -1.811) 6.508 5.397 ( -1.427 13.291 -2.100) 13.531 5.645 ( -3.458 14.323 -6.059) 15.931 6.032 ( 3.387 11.076 2.545) 11.859 7.072 ( -2.833 10.012 1.023) 10.456 7.400 ( -1.319 1.752 -1.336) 2.568 7.601 ( -0.497 5.203 -2.662) 5.865 7.904 ( 0.338 -11.994 -1.322) 12.071 8.124 ( 7.175 4.374 3.011) 8.927 8.383 ( -0.780 -1.691 -0.848) 2.046 8.781 ( -8.246 -5.563 -5.598) 11.414 8.914 ( -1.604 4.800 3.654) 6.242 9.111 ( 3.196 -10.596 -2.199) 11.284 9.446 ( 5.251 -0.407 9.021) 10.446 9.553 ( 0.172 -0.494 -1.100) 1.218 9.999 ( 0.523 -10.590 -4.506) 11.521 10.695 ( -4.115 -8.308 6.328) 11.225 11.514 ( -0.769 -11.583 2.028) 11.784 12.119 ( 2.331 -1.060 -1.864) 3.167 12.263 ( 0.967 2.493 -1.702) 3.170 13.770 ( -3.280 -1.284 0.837) 3.620 14.609 ( -1.714 -1.741 -6.768) 7.196 14.748 ( 3.159 2.711 -0.224) 4.169 15.179 ( -1.130 -10.363 1.968) 10.609 17.816 ( 1.144 2.056 -1.505) 2.793 18.743 ( 0.032 -2.355 0.519) 2.411 19.124 ( -5.664 -3.901 -1.277) 6.995 19.372 ( 5.233 1.114 3.334) 6.304 ======================= Grid point 260 (107/324) ======================= q-point: (-0.07 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.338 ( 2.444 5.420 2.898) 6.614 1.567 ( 9.809 4.670 -5.650) 12.246 1.687 ( 0.619 -0.146 0.205) 0.668 1.801 ( -7.964 12.568 6.924) 16.411 1.998 ( 0.142 3.327 -1.124) 3.515 2.502 ( -0.263 13.097 -1.841) 13.229 2.814 ( 4.815 5.787 -1.040) 7.600 3.140 ( 0.843 7.274 -12.735) 14.690 3.264 ( -3.259 3.692 -1.123) 5.051 3.450 ( 0.791 0.861 3.634) 3.818 3.847 ( -1.169 1.718 -4.402) 4.868 4.101 ( 1.434 19.094 3.991) 19.559 4.206 ( 4.992 7.805 10.996) 14.379 4.709 ( -3.072 -1.006 9.872) 10.388 5.002 ( 1.341 6.827 -7.281) 10.071 5.130 ( -3.814 10.901 -2.972) 11.925 5.385 ( -4.523 3.873 -1.694) 6.191 5.835 ( 2.652 11.749 3.071) 12.430 6.872 ( -2.925 9.778 0.769) 10.235 7.371 ( -2.094 -1.090 -2.980) 3.801 7.491 ( -1.746 6.005 -0.682) 6.291 8.004 ( 6.192 1.901 0.655) 6.510 8.178 ( -3.463 -4.289 1.156) 5.632 8.448 ( 8.695 -4.741 0.955) 9.949 8.735 ( -2.860 1.879 -10.849) 11.376 8.840 ( -8.540 1.164 5.911) 10.451 9.344 ( 1.387 -9.566 -0.806) 9.699 9.458 ( 0.218 -0.357 5.157) 5.174 9.650 ( 4.554 -4.985 5.273) 8.567 10.208 ( 3.634 -12.908 -8.737) 16.005 10.866 ( -4.736 -8.958 9.272) 13.735 11.694 ( -6.792 -7.410 0.351) 10.058 12.151 ( 4.084 -2.240 -0.986) 4.762 12.212 ( 2.114 2.706 -2.942) 4.521 13.804 ( -6.506 -4.215 3.307) 8.428 14.571 ( -3.861 2.491 -2.262) 5.122 14.730 ( 6.032 0.659 -8.131) 10.145 15.383 ( -2.250 -11.324 1.961) 11.711 17.793 ( 2.592 0.839 -2.009) 3.385 18.784 ( -0.654 -2.046 1.007) 2.372 19.120 ( -10.309 -1.065 -0.113) 10.364 19.468 ( 11.918 -4.447 3.174) 13.111 ======================= Grid point 265 (108/324) ======================= q-point: ( 0.29 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.195 ( 12.530 0.000 8.562) 15.176 1.377 ( 15.060 0.000 11.555) 18.982 1.583 ( 2.263 0.000 -5.457) 5.907 1.661 ( 7.327 0.000 -3.984) 8.341 1.972 ( 13.536 0.000 4.774) 14.353 2.051 ( 1.986 0.000 -4.064) 4.524 2.459 ( 6.974 0.000 -7.060) 9.924 2.523 ( -5.260 -0.000 0.305) 5.269 2.760 ( -7.753 -0.000 7.021) 10.460 2.928 ( -12.016 -0.000 0.114) 12.016 3.294 ( 9.820 0.000 21.471) 23.610 3.525 ( 9.991 0.000 -14.462) 17.578 3.687 ( 3.013 0.000 1.139) 3.221 3.970 ( -3.429 -0.000 6.405) 7.265 4.159 ( 1.089 0.000 -19.395) 19.426 5.055 ( -19.189 -0.000 1.675) 19.262 5.181 ( -7.824 -0.000 -2.591) 8.242 5.985 ( 2.029 0.000 5.566) 5.924 6.299 ( 2.834 0.000 0.034) 2.834 6.973 ( -2.665 -0.000 -0.208) 2.673 7.804 ( 13.541 0.000 5.400) 14.578 7.878 ( 7.585 0.000 -1.710) 7.775 8.117 ( 4.226 0.000 -0.942) 4.330 8.241 ( -3.172 -0.000 3.802) 4.952 8.685 ( 1.083 0.000 1.884) 2.173 9.247 ( -11.225 -0.000 -2.980) 11.613 9.268 ( -6.102 -0.000 -0.618) 6.133 9.856 ( 3.901 0.000 -0.187) 3.906 9.982 ( 7.440 0.000 4.472) 8.681 11.005 ( 2.928 0.000 -2.199) 3.661 11.236 ( -6.146 -0.000 -5.325) 8.132 11.650 ( 2.195 0.000 -16.677) 16.820 12.287 ( -1.030 -0.000 -0.352) 1.089 12.651 ( -0.139 -0.000 0.303) 0.334 12.971 ( 11.017 0.000 -16.221) 19.609 14.211 ( -40.122 -0.000 29.213) 49.631 14.724 ( 14.699 0.000 -9.482) 17.492 15.897 ( -6.779 -0.000 3.525) 7.641 18.029 ( 9.818 0.000 1.185) 9.889 18.713 ( -11.646 -0.000 1.952) 11.809 19.267 ( 10.228 0.000 -1.539) 10.343 20.357 ( 8.914 0.000 6.561) 11.068 ======================= Grid point 266 (109/324) ======================= q-point: ( 0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.326 ( 9.787 -4.062 7.195) 12.808 1.506 ( 8.580 -2.891 9.821) 13.358 1.590 ( 5.664 -1.448 -5.730) 8.186 1.694 ( 4.778 -0.497 -1.978) 5.195 2.026 ( 9.131 -0.306 1.827) 9.317 2.169 ( 7.427 -8.127 -4.364) 11.843 2.471 ( -1.107 -4.167 -6.575) 7.862 2.652 ( -1.917 -12.235 1.338) 12.456 2.777 ( -2.995 -2.820 4.388) 6.015 2.940 ( -11.299 -7.062 -0.118) 13.324 3.452 ( 8.201 -5.874 19.334) 21.808 3.577 ( 8.739 -4.383 -12.952) 16.227 3.799 ( 2.682 -7.342 2.331) 8.157 3.997 ( -2.458 -4.020 6.296) 7.864 4.143 ( 3.849 -3.470 -15.524) 16.366 4.936 ( -21.252 0.864 -2.013) 21.365 5.164 ( -5.438 -2.065 0.689) 5.857 5.962 ( 1.488 4.674 3.391) 5.963 6.396 ( 2.754 -7.845 -0.105) 8.315 6.994 ( -3.549 -3.674 1.068) 5.219 7.855 ( 13.765 4.077 6.331) 15.690 7.908 ( 6.846 -0.520 -1.126) 6.957 8.132 ( 2.280 0.188 -2.987) 3.763 8.337 ( -3.749 -8.512 5.589) 10.851 8.697 ( 1.800 0.080 0.783) 1.964 9.132 ( -10.246 3.340 -3.262) 11.259 9.240 ( -9.285 0.442 -0.510) 9.309 9.726 ( 8.047 10.905 -1.214) 13.607 10.091 ( 2.276 -2.756 3.103) 4.733 10.983 ( 4.195 4.196 -4.315) 7.336 11.127 ( -5.143 5.848 -2.826) 8.285 11.573 ( 1.916 3.741 -13.217) 13.870 12.292 ( -0.441 -0.196 -0.793) 0.928 12.425 ( 2.479 11.960 -0.639) 12.231 13.258 ( 2.820 -18.133 -13.138) 22.569 14.095 ( -30.657 0.337 23.276) 38.493 14.779 ( 12.753 -0.989 -7.489) 14.822 15.820 ( -6.436 5.541 3.264) 9.098 18.071 ( 10.442 1.546 1.630) 10.681 18.642 ( -12.015 1.606 2.600) 12.398 19.294 ( 8.909 2.000 -1.627) 9.274 20.369 ( 6.596 4.887 5.930) 10.127 ======================= Grid point 267 (110/324) ======================= q-point: ( 0.43 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.449 ( 3.368 -2.400 5.268) 6.698 1.575 ( 1.841 -1.144 1.254) 2.505 1.706 ( 3.818 -0.253 -2.578) 4.613 1.736 ( 10.687 -7.510 2.756) 13.350 2.093 ( 8.031 -1.226 0.541) 8.142 2.336 ( 7.256 -6.438 -2.652) 10.056 2.581 ( -1.276 -9.800 -8.337) 12.929 2.820 ( -4.993 -5.443 3.937) 8.370 2.929 ( 1.163 -11.545 0.825) 11.633 3.049 ( -9.311 -10.012 0.749) 13.693 3.663 ( 1.632 -8.004 -12.006) 14.522 3.766 ( 7.137 -15.459 13.601) 21.792 3.873 ( 1.301 2.032 8.229) 8.575 4.223 ( 4.122 -16.475 -1.071) 17.017 4.278 ( 4.458 -14.296 -8.556) 17.247 4.807 ( -19.981 0.690 -1.037) 20.019 5.210 ( -3.037 -5.243 0.226) 6.063 5.853 ( -0.051 8.074 1.970) 8.311 6.588 ( 3.396 -10.166 0.135) 10.719 7.068 ( -6.125 -5.547 3.556) 8.996 7.807 ( 10.600 9.766 5.152) 15.306 7.979 ( 6.334 -3.063 -2.797) 7.571 8.151 ( 4.372 -2.085 -4.559) 6.652 8.442 ( -8.431 -3.259 3.392) 9.655 8.712 ( 3.300 0.320 3.938) 5.148 9.009 ( -11.034 2.300 -4.084) 11.988 9.148 ( -7.536 4.289 1.168) 8.750 9.599 ( 11.903 6.886 -4.310) 14.411 10.114 ( -3.882 0.615 4.872) 6.260 10.823 ( 4.971 11.822 -7.655) 14.935 11.004 ( -4.259 4.798 0.634) 6.447 11.464 ( 1.462 4.744 -7.879) 9.312 12.253 ( 2.682 2.713 -1.658) 4.159 12.303 ( -2.767 4.081 -0.721) 4.983 13.469 ( -5.224 -7.845 -3.028) 9.900 14.076 ( -14.409 -5.502 9.212) 17.965 14.839 ( 9.647 -1.094 -4.970) 10.907 15.654 ( -5.612 9.459 2.725) 11.331 18.092 ( 10.703 2.390 1.376) 11.053 18.552 ( -12.043 2.173 3.166) 12.640 19.275 ( 6.783 3.645 -1.913) 7.934 20.291 ( 5.045 7.923 4.563) 10.443 ======================= Grid point 268 (111/324) ======================= q-point: ( 0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.485 ( -2.270 -0.262 3.687) 4.338 1.608 ( 3.878 -0.435 -0.213) 3.908 1.705 ( 0.888 0.268 -1.304) 1.600 1.963 ( 7.816 -8.281 3.142) 11.812 2.164 ( 9.021 -3.080 -2.345) 9.816 2.484 ( 4.459 -6.429 0.604) 7.848 2.729 ( 2.313 -7.897 -10.485) 13.329 2.903 ( -5.583 -5.476 2.623) 8.248 3.097 ( -0.828 -7.297 1.166) 7.436 3.220 ( -4.825 -9.330 3.591) 11.101 3.775 ( -5.174 -8.769 -14.508) 17.724 3.839 ( 5.010 4.936 9.993) 12.220 4.191 ( 3.323 -21.051 6.519) 22.287 4.595 ( 10.691 -20.935 -6.961) 24.516 4.634 ( -4.327 -18.594 3.468) 19.404 4.709 ( -12.621 -2.106 0.122) 12.796 5.336 ( 0.978 -8.363 -0.838) 8.461 5.684 ( -3.651 8.429 1.903) 9.381 6.800 ( 3.756 -9.925 1.626) 10.735 7.138 ( -8.898 -4.156 3.944) 10.583 7.638 ( 5.482 12.905 1.850) 14.142 8.032 ( 6.115 -0.731 -6.609) 9.033 8.238 ( 5.466 -5.190 -2.589) 7.970 8.436 ( -5.487 -1.020 0.329) 5.590 8.727 ( 1.642 2.050 8.375) 8.777 8.908 ( -12.233 1.310 -3.502) 12.791 9.039 ( -2.766 4.311 3.213) 6.047 9.527 ( 12.513 6.243 -9.005) 16.633 10.048 ( -8.446 5.979 7.028) 12.509 10.633 ( 8.286 8.340 -4.790) 12.695 10.872 ( -6.718 6.372 -0.919) 9.305 11.390 ( 1.588 0.896 -4.858) 5.188 12.135 ( -5.692 10.739 -1.380) 12.232 12.252 ( 2.846 -0.490 -1.491) 3.250 13.544 ( -6.290 -4.496 5.303) 9.375 14.171 ( -4.063 -7.105 -1.292) 8.285 14.884 ( 6.590 -0.375 -2.516) 7.064 15.438 ( -4.691 11.015 2.120) 12.158 18.105 ( 10.245 2.400 0.732) 10.548 18.463 ( -11.353 1.593 3.017) 11.855 19.220 ( 4.459 4.408 -1.832) 6.532 20.163 ( 3.656 9.196 3.171) 10.392 ======================= Grid point 269 (112/324) ======================= q-point: ( 0.57 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.477 ( -4.075 0.150 2.666) 4.872 1.624 ( 4.163 0.680 -0.975) 4.329 1.700 ( -0.050 0.169 -1.102) 1.116 2.081 ( 0.868 -1.762 1.898) 2.731 2.344 ( 13.705 -9.588 -2.434) 16.902 2.610 ( 0.324 -4.981 -0.543) 5.021 2.825 ( 0.310 -5.271 -7.491) 9.165 3.009 ( 0.594 -6.377 2.818) 6.997 3.247 ( 0.634 -8.520 0.042) 8.543 3.332 ( -8.616 -4.709 5.800) 11.404 3.773 ( -0.416 1.243 -3.049) 3.319 3.895 ( 3.284 -4.551 -1.653) 5.850 4.474 ( -2.904 -1.696 -1.527) 3.694 4.686 ( -9.524 -8.436 2.857) 13.040 5.029 ( -0.554 -18.621 1.394) 18.681 5.048 ( 8.601 -21.999 -3.228) 23.840 5.417 ( 3.045 3.346 3.982) 6.027 5.661 ( -5.109 -12.097 -1.128) 13.180 7.001 ( 1.389 -8.474 2.366) 8.908 7.142 ( -7.380 -0.165 2.127) 7.682 7.461 ( 1.720 6.023 0.487) 6.282 8.050 ( 8.270 0.271 -6.513) 10.531 8.332 ( 0.575 -1.855 1.750) 2.614 8.469 ( -1.330 -5.421 -4.200) 6.985 8.685 ( 1.100 5.791 3.764) 6.994 8.807 ( -7.775 2.673 2.066) 8.477 8.983 ( -1.855 2.538 4.879) 5.804 9.433 ( 9.297 5.791 -10.164) 14.943 9.848 ( -6.839 11.973 6.179) 15.110 10.549 ( 6.844 5.879 0.116) 9.023 10.700 ( -7.890 6.199 -4.377) 10.947 11.439 ( 4.046 -5.636 -3.176) 7.630 11.848 ( -6.870 14.610 -0.931) 16.172 12.280 ( 2.037 -1.244 -1.262) 2.700 13.627 ( -3.410 -4.769 6.495) 8.750 14.270 ( -0.191 -5.395 -3.976) 6.704 14.903 ( 4.016 0.723 -0.565) 4.120 15.218 ( -3.851 10.227 1.429) 11.021 18.107 ( 7.760 2.795 0.314) 8.254 18.406 ( -8.591 -0.571 2.091) 8.860 19.150 ( 2.400 4.299 -1.243) 5.078 20.009 ( 2.114 9.418 2.039) 9.866 ======================= Grid point 270 (113/324) ======================= q-point: (-0.36 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.462 ( -3.909 -0.221 1.582) 4.222 1.625 ( 4.006 1.021 -1.385) 4.360 1.690 ( -0.443 0.383 -0.911) 1.083 2.101 ( -0.006 -0.201 0.607) 0.639 2.557 ( 10.581 -3.636 -5.063) 12.280 2.698 ( 0.020 -8.279 -1.638) 8.440 2.910 ( -1.035 -4.924 0.226) 5.037 3.154 ( 6.003 -6.203 1.421) 8.748 3.354 ( -11.378 -2.213 4.669) 12.497 3.422 ( -1.416 -9.762 0.792) 9.896 3.761 ( 4.866 0.971 0.436) 4.981 3.992 ( 1.737 -5.313 -4.641) 7.266 4.353 ( -3.583 8.763 -2.054) 9.688 4.679 ( -6.039 7.389 -0.385) 9.550 5.331 ( -1.089 -12.434 3.204) 12.886 5.423 ( 3.935 -12.267 0.051) 12.882 5.518 ( -0.607 -14.854 2.830) 15.133 5.920 ( 0.477 -14.522 -2.502) 14.743 7.054 ( -6.549 -2.125 -3.987) 7.956 7.207 ( 2.423 -4.710 8.108) 9.685 7.449 ( 0.787 -2.868 -0.811) 3.082 8.070 ( 6.918 -0.328 -4.845) 8.453 8.346 ( -2.560 -0.254 3.756) 4.553 8.490 ( -1.415 5.451 -7.086) 9.051 8.593 ( 1.573 2.518 -1.972) 3.564 8.767 ( -1.605 -0.766 5.796) 6.063 8.926 ( -0.745 4.153 2.869) 5.103 9.379 ( 3.293 0.465 -3.608) 4.907 9.620 ( -1.515 10.917 6.966) 13.039 10.413 ( -3.807 9.489 -0.683) 10.247 10.574 ( -1.257 2.838 -6.339) 7.058 11.485 ( 4.414 11.812 -0.155) 12.611 11.660 ( -3.656 -7.412 -1.834) 8.466 12.305 ( 1.111 -0.836 -0.781) 1.595 13.716 ( -1.160 -3.627 5.044) 6.320 14.354 ( 1.533 -4.609 -4.039) 6.317 14.896 ( 2.055 1.633 0.896) 2.773 15.033 ( -3.147 7.594 0.657) 8.247 18.072 ( 2.897 3.904 0.332) 4.873 18.420 ( -3.311 -3.646 0.793) 4.988 19.081 ( 0.913 3.443 -0.491) 3.595 19.846 ( 0.538 9.090 1.237) 9.190 ======================= Grid point 271 (114/324) ======================= q-point: (-0.29 -0.71 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.456 ( -2.718 -0.598 0.521) 2.831 1.622 ( 3.814 0.810 -1.613) 4.220 1.676 ( -0.398 0.535 -0.516) 0.843 2.101 ( -0.107 0.244 0.097) 0.284 2.553 ( 3.193 3.300 -6.725) 8.144 2.888 ( 3.478 -6.751 -0.822) 7.639 3.003 ( 0.782 -5.988 1.266) 6.170 3.301 ( 4.682 -4.220 0.112) 6.305 3.347 ( -10.026 -3.744 4.934) 11.785 3.609 ( 0.008 -9.324 2.022) 9.541 3.770 ( 7.913 1.954 0.285) 8.156 4.063 ( -5.953 -1.238 -2.110) 6.436 4.140 ( -0.126 8.095 -8.275) 11.577 4.471 ( -3.519 9.118 6.054) 11.496 5.488 ( -0.239 -3.444 3.531) 4.938 5.617 ( -2.062 -7.898 0.096) 8.164 5.797 ( 0.317 -11.420 0.358) 11.430 6.145 ( 2.507 -8.642 -2.570) 9.358 7.119 ( -2.566 -8.832 -2.867) 9.634 7.316 ( 0.683 -4.018 5.521) 6.863 7.501 ( 1.639 -0.339 -1.338) 2.143 8.130 ( 1.409 -5.765 -2.248) 6.346 8.273 ( 1.020 13.599 -5.272) 14.621 8.348 ( -1.822 0.214 3.213) 3.700 8.512 ( 0.384 5.614 -0.907) 5.700 8.840 ( -1.312 -1.653 3.483) 4.073 8.876 ( 1.838 -2.219 -4.317) 5.190 9.420 ( -1.329 -2.626 7.619) 8.167 9.497 ( 5.244 4.530 5.274) 8.708 10.180 ( -7.014 11.321 -2.712) 13.591 10.509 ( -2.402 1.041 -7.015) 7.487 11.284 ( 1.712 8.021 1.193) 8.288 11.839 ( 2.386 -9.237 -1.507) 9.658 12.318 ( 0.483 -0.259 -0.316) 0.633 13.773 ( -0.089 -1.391 2.756) 3.088 14.437 ( 2.060 -4.436 -3.976) 6.303 14.874 ( 0.469 1.750 2.216) 2.863 14.913 ( -2.127 3.465 0.019) 4.066 18.002 ( 0.193 4.139 0.106) 4.144 18.501 ( -0.132 -5.281 0.109) 5.284 19.032 ( 0.195 1.844 -0.028) 1.854 19.684 ( -0.679 8.322 0.891) 8.397 ======================= Grid point 272 (115/324) ======================= q-point: (-0.21 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.455 ( -1.256 -0.173 -0.346) 1.314 1.625 ( 3.300 0.328 -1.542) 3.658 1.666 ( 0.194 0.311 -0.061) 0.371 2.092 ( -0.039 0.625 -0.343) 0.714 2.448 ( 1.774 7.203 -4.630) 8.745 2.951 ( -1.093 -1.279 -0.652) 1.804 3.124 ( 5.827 -2.977 -4.554) 7.972 3.289 ( -8.077 1.253 0.180) 8.176 3.460 ( 1.098 -2.738 3.984) 4.957 3.685 ( 10.069 4.613 -4.477) 11.946 3.824 ( 1.376 -3.871 0.193) 4.113 3.918 ( -1.039 3.313 0.344) 3.489 4.096 ( -11.854 -3.393 4.369) 13.081 4.434 ( 1.812 -3.192 4.073) 5.483 5.479 ( 0.415 5.588 3.300) 6.503 5.680 ( -2.808 -0.118 -0.753) 2.910 5.922 ( -0.817 -1.760 -1.114) 2.238 6.243 ( 2.849 -1.080 -1.302) 3.314 7.308 ( -0.339 -10.321 -1.207) 10.397 7.400 ( 1.628 0.629 -0.059) 1.747 7.463 ( 0.266 -0.854 1.188) 1.487 7.971 ( -3.718 13.965 -4.267) 15.068 8.314 ( -1.930 -11.575 -1.142) 11.791 8.336 ( 4.294 1.162 -0.544) 4.482 8.404 ( -0.447 6.084 3.682) 7.125 8.856 ( 2.015 -2.712 -3.622) 4.953 8.961 ( -1.432 -4.487 -1.052) 4.827 9.459 ( 7.530 2.248 11.004) 13.522 9.559 ( 1.177 -5.425 2.647) 6.150 9.918 ( -8.100 10.165 -1.961) 13.144 10.478 ( -4.867 -2.369 -5.222) 7.522 11.234 ( 2.473 -0.868 1.729) 3.140 11.993 ( 2.026 -6.131 -1.385) 6.604 12.318 ( 0.270 0.428 -0.135) 0.524 13.784 ( -0.054 0.630 0.675) 0.925 14.507 ( 1.617 -3.271 -5.072) 6.248 14.840 ( -1.739 1.909 2.244) 3.421 14.904 ( 0.165 -2.698 1.169) 2.945 17.927 ( 0.043 3.669 -0.365) 3.687 18.603 ( 0.183 -5.077 0.074) 5.081 19.019 ( 0.068 -0.496 -0.169) 0.528 19.539 ( -0.663 6.796 1.155) 6.925 ======================= Grid point 273 (116/324) ======================= q-point: (-0.14 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.444 ( 0.354 0.920 -0.710) 1.215 1.630 ( 1.930 0.323 -0.994) 2.195 1.670 ( 1.369 -0.308 -0.146) 1.411 2.074 ( 0.137 1.152 -0.779) 1.397 2.275 ( 1.383 10.709 -2.130) 11.006 2.945 ( -0.566 1.068 -2.467) 2.748 3.049 ( -0.561 11.758 -3.088) 12.170 3.231 ( -3.351 -0.712 -4.482) 5.641 3.450 ( 2.885 3.316 -0.975) 4.502 3.567 ( 5.033 7.850 -6.395) 11.307 3.869 ( -0.844 0.858 -1.793) 2.159 3.997 ( 3.815 -8.177 10.225) 13.637 4.227 ( -9.146 -11.786 9.444) 17.656 4.561 ( 0.649 -7.152 3.310) 7.908 5.310 ( 1.282 13.330 2.682) 13.657 5.589 ( -2.206 7.847 -1.500) 8.288 5.842 ( -1.900 8.626 -3.592) 9.536 6.213 ( 2.582 5.520 0.511) 6.115 7.251 ( -2.359 10.008 0.853) 10.317 7.414 ( 0.360 -1.100 -0.520) 1.269 7.652 ( -0.866 -11.562 -0.536) 11.607 7.718 ( -0.146 7.646 -3.828) 8.552 8.290 ( 8.106 6.925 2.945) 11.061 8.338 ( -2.569 -1.045 -1.695) 3.251 8.538 ( -6.832 -12.249 -1.387) 14.094 8.952 ( 5.358 -5.608 0.332) 7.763 8.997 ( -2.816 -0.660 -1.514) 3.265 9.497 ( 7.614 1.011 7.237) 10.553 9.578 ( -2.968 3.785 -3.915) 6.202 9.838 ( -1.058 -5.779 2.794) 6.506 10.532 ( -5.535 -7.191 0.863) 9.115 11.335 ( 1.238 -7.592 1.674) 7.872 12.079 ( -0.368 -3.078 -1.546) 3.464 12.301 ( 0.437 1.477 -0.549) 1.635 13.763 ( -0.723 1.147 -0.248) 1.378 14.544 ( 0.442 -2.117 -6.491) 6.842 14.805 ( -0.422 1.974 1.787) 2.696 15.008 ( -0.748 -7.489 1.992) 7.786 17.866 ( 1.219 2.871 -0.933) 3.255 18.684 ( -1.201 -3.624 0.411) 3.840 19.045 ( -1.311 -2.235 -0.838) 2.723 19.445 ( 2.569 3.490 2.004) 4.775 ======================= Grid point 274 (117/324) ======================= q-point: (-0.07 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.421 ( 2.225 2.052 0.005) 3.027 1.624 ( 1.188 0.879 -0.963) 1.764 1.686 ( 1.467 -0.450 -0.240) 1.553 2.044 ( 0.466 1.911 -0.940) 2.180 2.054 ( 1.899 13.211 0.470) 13.355 2.754 ( -2.274 14.488 -3.200) 15.011 2.913 ( 2.637 3.134 -1.898) 4.514 3.198 ( -0.329 2.113 -7.764) 8.053 3.357 ( 3.022 7.437 -1.872) 8.243 3.478 ( -0.725 1.575 0.010) 1.734 3.836 ( -1.822 0.629 -4.050) 4.485 4.174 ( 3.673 -4.020 4.833) 7.281 4.412 ( -4.763 -4.656 12.946) 14.560 4.693 ( 0.378 -3.460 9.339) 9.966 5.063 ( -0.115 10.228 -1.235) 10.303 5.368 ( -0.813 13.430 -3.084) 13.804 5.575 ( -2.749 15.532 -5.257) 16.626 6.073 ( 1.744 10.545 1.462) 10.788 7.044 ( -3.797 10.174 1.912) 11.026 7.376 ( -1.003 3.016 -2.391) 3.978 7.577 ( -1.807 4.165 -1.326) 4.730 7.898 ( 0.330 -11.031 -1.493) 11.137 8.218 ( 5.884 5.197 3.066) 8.428 8.389 ( 4.723 -4.641 -2.710) 7.155 8.665 ( -8.290 -5.865 -1.978) 10.346 8.899 ( -3.666 6.751 0.016) 7.682 9.145 ( 3.022 -9.966 0.600) 10.431 9.506 ( -0.666 1.835 0.383) 1.989 9.571 ( 1.990 -5.229 4.152) 6.967 10.002 ( 5.414 -9.108 -3.210) 11.072 10.686 ( -5.485 -9.997 7.173) 13.471 11.510 ( -2.175 -9.477 1.275) 9.807 12.107 ( -2.489 -2.016 -1.959) 3.755 12.264 ( 1.066 2.433 -1.277) 2.947 13.745 ( -2.564 -0.272 0.639) 2.656 14.549 ( -1.650 -0.771 -6.509) 6.759 14.773 ( 2.306 2.070 -0.640) 3.164 15.174 ( -2.284 -9.945 2.140) 10.426 17.828 ( 2.982 1.865 -1.517) 3.831 18.732 ( -3.211 -2.608 0.963) 4.248 19.060 ( -4.256 -1.089 -1.086) 4.525 19.469 ( 8.825 -2.111 2.617) 9.444 ======================= Grid point 280 (118/324) ======================= q-point: ( 0.36 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.353 ( 8.947 0.000 6.078) 10.816 1.544 ( 1.221 0.000 5.885) 6.010 1.604 ( 10.091 0.000 0.715) 10.116 1.708 ( 4.737 0.000 -1.790) 5.064 2.052 ( 5.051 0.000 -6.870) 8.527 2.113 ( 10.169 0.000 0.271) 10.173 2.440 ( -0.984 -0.000 -7.415) 7.480 2.489 ( -3.626 -0.000 3.738) 5.207 2.766 ( 1.466 0.000 4.286) 4.530 2.804 ( -11.841 -0.000 0.245) 11.843 3.493 ( 9.151 0.000 10.158) 13.672 3.542 ( 2.472 0.000 -6.175) 6.652 3.716 ( 1.818 0.000 -0.108) 1.821 4.000 ( 6.728 0.000 1.051) 6.810 4.098 ( 1.328 0.000 -3.750) 3.978 4.817 ( -22.261 -0.000 -4.762) 22.765 5.126 ( -5.081 -0.000 3.694) 6.282 6.022 ( 0.544 0.000 1.848) 1.927 6.327 ( 2.327 0.000 0.063) 2.327 6.945 ( -2.161 -0.000 -0.554) 2.231 7.941 ( 6.588 0.000 -1.439) 6.743 7.993 ( 13.456 0.000 7.760) 15.533 8.155 ( 3.909 0.000 -0.310) 3.921 8.235 ( -3.581 -0.000 5.354) 6.441 8.700 ( 0.187 0.000 0.456) 0.492 9.083 ( -14.475 -0.000 -4.231) 15.081 9.211 ( -4.460 -0.000 0.320) 4.471 9.890 ( 2.820 0.000 -0.094) 2.822 10.073 ( 6.652 0.000 0.704) 6.689 11.025 ( 4.101 0.000 -3.246) 5.230 11.156 ( -3.893 -0.000 -3.987) 5.573 11.570 ( 2.343 0.000 -15.942) 16.113 12.276 ( -0.763 -0.000 0.075) 0.766 12.649 ( -0.182 -0.000 -0.127) 0.222 12.971 ( 9.100 0.000 -16.505) 18.848 14.017 ( -30.536 -0.000 25.200) 39.591 14.811 ( 12.054 0.000 -7.280) 14.082 15.851 ( -6.417 -0.000 3.632) 7.373 18.150 ( 11.092 0.000 2.850) 11.453 18.604 ( -12.247 -0.000 2.880) 12.581 19.353 ( 7.872 0.000 -1.497) 8.013 20.462 ( 3.790 0.000 6.023) 7.117 ======================= Grid point 281 (119/324) ======================= q-point: ( 0.43 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.442 ( 5.307 -2.431 4.351) 7.280 1.560 ( 0.144 -1.015 0.785) 1.291 1.695 ( 10.290 -3.313 4.877) 11.859 1.721 ( 1.561 0.243 -0.431) 1.637 2.103 ( 6.008 -2.042 -2.851) 6.957 2.220 ( 7.341 -7.594 -6.274) 12.285 2.414 ( -1.675 -3.325 -3.939) 5.420 2.638 ( -2.944 -12.313 3.511) 13.138 2.773 ( -5.163 -3.318 1.316) 6.277 2.856 ( -2.193 -6.096 1.964) 6.769 3.518 ( -0.600 -2.913 -17.662) 17.911 3.647 ( 5.441 -6.332 18.021) 19.861 3.837 ( 2.622 -9.976 0.996) 10.363 4.074 ( 10.395 -2.319 3.632) 11.253 4.113 ( 1.479 -3.013 -4.110) 5.306 4.691 ( -20.411 -0.345 -4.006) 20.803 5.135 ( -3.463 -2.024 4.221) 5.823 5.979 ( -0.182 4.733 -0.068) 4.737 6.422 ( 2.199 -8.110 0.013) 8.403 6.967 ( -2.927 -3.375 0.939) 4.565 7.968 ( 6.012 0.007 -1.244) 6.139 8.028 ( 10.506 4.745 5.065) 12.592 8.149 ( 3.301 0.778 -0.449) 3.421 8.323 ( -5.767 -6.010 5.700) 10.093 8.716 ( 1.089 -1.504 -0.079) 1.859 8.982 ( -11.546 1.886 -2.813) 12.033 9.176 ( -4.113 1.824 1.083) 4.628 9.799 ( 6.667 8.629 -0.620) 10.923 10.112 ( 0.140 -0.107 -0.003) 0.176 10.996 ( 4.389 5.539 -6.411) 9.542 11.072 ( -2.853 4.435 -1.552) 5.497 11.514 ( 3.126 2.223 -13.770) 14.294 12.281 ( -0.723 -0.270 -0.412) 0.874 12.441 ( 1.658 12.154 -1.108) 12.316 13.210 ( 3.266 -15.906 -11.912) 20.138 13.959 ( -22.381 -1.759 20.084) 30.122 14.855 ( 9.948 -0.710 -5.994) 11.635 15.778 ( -5.602 5.451 3.475) 8.554 18.200 ( 11.426 1.919 3.181) 12.015 18.536 ( -12.292 1.486 3.602) 12.895 19.361 ( 5.964 2.397 -1.815) 6.679 20.448 ( 2.110 4.742 5.175) 7.329 ======================= Grid point 282 (120/324) ======================= q-point: ( 0.50 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.487 ( -0.661 -0.023 2.975) 3.048 1.601 ( 2.351 -1.979 0.260) 3.084 1.715 ( 0.151 0.561 -0.299) 0.654 1.865 ( 8.766 -7.365 4.564) 12.326 2.145 ( 3.424 -1.825 -4.454) 5.907 2.376 ( 2.190 -6.660 -1.376) 7.145 2.546 ( 4.511 -10.154 -6.987) 13.125 2.785 ( -4.752 -5.061 2.182) 7.277 2.946 ( 0.644 -11.330 2.561) 11.633 2.990 ( -4.544 -10.579 3.632) 12.073 3.542 ( -4.553 -7.158 -17.348) 19.311 3.905 ( 2.909 -12.978 12.190) 18.041 3.974 ( 6.047 1.534 7.230) 9.549 4.254 ( -5.156 -17.247 3.306) 18.302 4.295 ( 12.968 -13.699 -8.764) 20.800 4.608 ( -14.413 -1.464 -0.870) 14.513 5.202 ( -0.674 -5.283 3.272) 6.250 5.847 ( -1.615 8.440 -0.874) 8.637 6.622 ( 2.931 -10.951 0.144) 11.338 7.031 ( -5.523 -4.387 3.879) 8.050 7.906 ( 3.691 10.815 0.114) 11.428 8.028 ( 6.792 -0.796 -3.248) 7.571 8.183 ( 5.084 -2.544 -0.828) 5.745 8.378 ( -7.766 -2.499 3.269) 8.789 8.756 ( 0.049 -1.483 2.236) 2.684 8.888 ( -5.883 2.721 0.258) 6.487 9.107 ( -3.173 3.770 1.917) 5.287 9.693 ( 10.405 6.627 -3.360) 12.786 10.081 ( -6.769 1.622 2.725) 7.475 10.825 ( 5.637 10.060 -9.067) 14.670 10.962 ( -3.997 6.287 -0.708) 7.483 11.437 ( 3.385 3.695 -8.865) 10.183 12.247 ( -1.519 3.682 -1.360) 4.209 12.290 ( 0.965 4.601 -0.699) 4.753 13.416 ( -2.389 -8.233 -1.401) 8.686 14.006 ( -9.416 -7.096 7.541) 13.996 14.898 ( 7.202 -0.742 -3.913) 8.230 15.619 ( -4.344 9.426 2.935) 10.786 18.219 ( 11.070 3.141 2.525) 11.781 18.450 ( -11.822 2.043 3.968) 12.636 19.318 ( 3.857 4.071 -2.192) 6.021 20.350 ( 1.098 7.821 3.983) 8.845 ======================= Grid point 283 (121/324) ======================= q-point: (-0.43 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.475 ( -3.403 0.754 2.449) 4.260 1.641 ( 2.677 -0.775 -0.540) 2.838 1.702 ( -0.616 0.552 -0.427) 0.930 2.037 ( 1.449 -4.633 3.875) 6.211 2.231 ( 8.843 -7.223 -5.151) 12.526 2.494 ( -5.229 -6.336 2.817) 8.685 2.703 ( 4.413 -5.990 -9.855) 12.348 2.900 ( 4.078 -7.356 2.136) 8.678 3.098 ( 0.329 -7.181 0.272) 7.194 3.205 ( -5.366 -8.671 8.473) 13.258 3.603 ( -7.640 -7.297 -16.418) 19.523 3.984 ( 9.086 2.406 9.702) 13.508 4.233 ( -1.104 -18.197 1.504) 18.292 4.524 ( -13.650 -6.506 0.775) 15.141 4.656 ( 5.277 -18.394 -4.618) 19.686 4.684 ( 4.397 -18.425 2.217) 19.072 5.357 ( 2.873 -9.960 1.248) 10.441 5.652 ( -4.067 10.022 0.506) 10.828 6.842 ( 2.392 -10.144 0.919) 10.463 7.081 ( -6.820 -2.838 4.600) 8.702 7.665 ( -0.124 13.328 -2.018) 13.481 8.068 ( 8.094 -0.654 -5.736) 9.942 8.280 ( 3.598 -4.599 0.033) 5.839 8.384 ( -5.067 -1.680 -0.254) 5.344 8.779 ( -3.720 -0.797 5.136) 6.391 8.812 ( -0.497 4.474 1.884) 4.880 9.033 ( -2.040 3.011 3.464) 5.023 9.603 ( 12.159 7.893 -8.342) 16.725 9.988 ( -10.383 5.542 5.334) 12.922 10.686 ( 8.106 5.591 -5.681) 11.368 10.784 ( -7.379 8.471 -3.080) 11.649 11.383 ( 2.893 0.206 -5.331) 6.069 12.080 ( -2.996 11.684 -1.367) 12.139 12.268 ( 1.825 -0.411 -1.252) 2.251 13.531 ( -3.328 -5.722 6.375) 9.191 14.136 ( -1.123 -7.618 -1.436) 7.833 14.928 ( 4.452 -0.042 -1.745) 4.782 15.411 ( -2.987 11.135 2.117) 11.722 18.213 ( 8.433 3.668 1.314) 9.290 18.373 ( -9.189 1.062 3.626) 9.935 19.242 ( 2.042 4.643 -2.016) 5.458 20.200 ( -0.030 9.251 2.876) 9.688 ======================= Grid point 284 (122/324) ======================= q-point: (-0.36 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.449 ( -3.841 0.435 1.613) 4.188 1.655 ( 2.970 0.462 -1.067) 3.190 1.688 ( -1.508 0.206 -0.466) 1.592 2.088 ( -1.371 -1.270 1.084) 2.161 2.458 ( 10.624 -11.004 -1.731) 15.393 2.563 ( -8.210 -4.302 -0.291) 9.273 2.800 ( 3.040 -5.677 -5.519) 8.481 3.084 ( 10.661 -6.615 1.497) 12.636 3.241 ( -1.636 -8.300 -0.509) 8.475 3.293 ( -7.499 -1.904 9.166) 11.995 3.642 ( -8.876 -7.044 -10.665) 15.561 4.041 ( 14.287 1.639 6.529) 15.793 4.433 ( -1.357 1.091 -4.573) 4.894 4.585 ( -11.084 -11.028 -0.566) 15.646 5.018 ( -2.533 -18.729 0.125) 18.900 5.112 ( 6.065 -21.101 -0.726) 21.968 5.457 ( -1.072 5.210 4.047) 6.683 5.631 ( 1.137 -14.769 -0.255) 14.815 6.973 ( -6.165 -2.932 -0.852) 6.879 7.146 ( 2.377 -5.728 5.000) 7.966 7.467 ( -0.459 5.778 -0.481) 5.816 8.094 ( 7.343 0.405 -5.929) 9.446 8.334 ( -3.555 -0.344 3.276) 4.847 8.425 ( -0.442 -4.878 -6.776) 8.361 8.717 ( 4.327 6.632 0.625) 7.943 8.784 ( -3.617 0.279 7.073) 7.949 8.996 ( -2.176 2.007 5.963) 6.657 9.477 ( 10.275 7.782 -8.941) 15.687 9.811 ( -7.251 8.976 5.551) 12.805 10.555 ( -7.372 9.460 -3.396) 12.465 10.629 ( 4.147 4.296 -4.960) 7.762 11.457 ( 2.981 -7.853 -3.338) 9.039 11.799 ( -1.197 15.673 -0.766) 15.737 12.289 ( 1.063 -1.109 -1.055) 1.864 13.645 ( -1.812 -5.127 7.621) 9.362 14.256 ( 2.271 -5.698 -3.916) 7.278 14.933 ( 1.891 0.982 0.003) 2.130 15.196 ( -1.664 10.529 1.071) 10.714 18.165 ( 1.270 4.369 0.883) 4.634 18.358 ( -1.824 -1.612 2.075) 3.198 19.158 ( 0.699 4.355 -1.263) 4.588 20.026 ( -1.307 9.542 1.912) 9.819 ======================= Grid point 285 (123/324) ======================= q-point: (-0.29 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.435 ( -2.572 -0.365 0.502) 2.646 1.652 ( 2.746 0.932 -1.025) 3.075 1.675 ( -1.637 0.050 -0.567) 1.733 2.098 ( -1.029 -0.400 0.451) 1.192 2.564 ( -2.593 -0.920 -4.336) 5.135 2.733 ( 7.471 -11.851 -0.671) 14.025 2.904 ( 0.295 -5.157 -1.004) 5.262 3.249 ( 7.516 -4.238 -1.023) 8.689 3.279 ( -7.590 -0.522 9.652) 12.290 3.412 ( -0.755 -10.439 -0.295) 10.470 3.727 ( -6.749 -7.742 -1.852) 10.437 4.079 ( 14.342 3.834 -0.383) 14.851 4.302 ( -1.792 8.773 -5.867) 10.705 4.598 ( -8.134 3.921 -0.684) 9.055 5.316 ( -4.293 -14.431 0.475) 15.063 5.455 ( 0.454 -8.242 3.193) 8.850 5.531 ( 0.023 -15.486 2.525) 15.690 5.930 ( 3.992 -14.331 -2.142) 15.030 6.976 ( -4.287 -3.619 -2.595) 6.182 7.282 ( 2.871 -3.285 6.753) 8.040 7.450 ( 0.492 -3.482 -0.805) 3.607 8.090 ( 2.594 0.622 -4.480) 5.214 8.325 ( -4.618 -0.347 1.476) 4.860 8.430 ( -1.082 3.176 -5.632) 6.556 8.632 ( 7.407 5.447 -1.624) 9.336 8.791 ( -1.294 -1.106 5.403) 5.665 8.944 ( 0.310 4.727 3.750) 6.042 9.404 ( 4.085 1.308 -1.106) 4.429 9.652 ( -1.220 6.969 7.257) 10.135 10.324 ( -7.822 9.490 -4.771) 13.191 10.533 ( 0.209 4.924 -7.026) 8.582 11.507 ( -0.738 13.345 0.450) 13.373 11.656 ( 5.277 -10.242 -2.002) 11.694 12.308 ( 0.355 -0.802 -0.668) 1.102 13.742 ( -0.604 -3.272 5.884) 6.760 14.354 ( 3.458 -4.585 -3.853) 6.916 14.912 ( -0.645 1.686 1.250) 2.196 15.016 ( -0.070 7.932 0.067) 7.932 18.081 ( -1.798 4.321 0.622) 4.721 18.417 ( 1.762 -3.800 0.672) 4.242 19.083 ( -0.044 3.377 -0.415) 3.403 19.844 ( -2.337 9.095 1.177) 9.464 ======================= Grid point 286 (124/324) ======================= q-point: (-0.21 -0.64 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.438 ( -0.722 -0.785 -0.549) 1.199 1.645 ( 1.781 0.724 -0.616) 2.019 1.667 ( -0.790 -0.040 -0.522) 0.948 2.098 ( -0.562 0.129 0.183) 0.605 2.532 ( 0.937 2.211 -6.253) 6.699 2.913 ( 2.507 -3.044 -1.125) 4.101 3.032 ( 3.078 -8.293 1.012) 8.903 3.239 ( -9.078 -0.875 1.906) 9.317 3.400 ( 5.519 -5.192 4.621) 8.875 3.628 ( 1.531 -11.383 1.821) 11.629 3.812 ( -2.479 -2.483 2.745) 4.455 4.034 ( 4.612 5.090 -4.717) 8.333 4.073 ( -1.615 10.476 -9.389) 14.160 4.474 ( -3.053 4.469 6.003) 8.082 5.498 ( -2.133 -5.496 1.834) 6.175 5.591 ( -2.911 -6.238 1.623) 7.072 5.802 ( 0.235 -10.478 0.533) 10.494 6.162 ( 3.695 -8.461 -2.552) 9.579 7.090 ( -0.139 -10.288 -1.823) 10.449 7.358 ( 1.695 -2.808 3.885) 5.084 7.508 ( 0.865 -0.148 -0.526) 1.024 8.085 ( -6.312 -0.351 -2.501) 6.798 8.233 ( -1.251 6.448 -4.868) 8.175 8.356 ( -0.477 1.510 2.985) 3.379 8.568 ( 9.707 5.873 -0.610) 11.362 8.837 ( -3.410 -1.539 3.370) 5.035 8.883 ( 4.263 0.281 -4.084) 5.910 9.464 ( 0.612 -4.793 7.459) 8.887 9.589 ( 3.578 3.393 8.031) 9.424 10.077 ( -7.428 11.246 -4.753) 14.291 10.425 ( -3.757 2.067 -8.334) 9.372 11.314 ( 2.305 7.218 1.076) 7.653 11.858 ( 3.023 -8.758 -1.548) 9.393 12.319 ( 0.054 -0.347 -0.286) 0.453 13.792 ( -0.054 -0.669 3.076) 3.148 14.440 ( 3.296 -3.739 -3.563) 6.127 14.867 ( -3.132 2.294 0.808) 3.966 14.918 ( 1.860 2.824 1.002) 3.527 17.996 ( -1.525 3.837 0.158) 4.132 18.511 ( 1.950 -4.795 0.065) 5.176 19.033 ( -0.084 1.736 0.038) 1.739 19.673 ( -2.506 7.898 0.871) 8.332 ======================= Grid point 287 (125/324) ======================= q-point: (-0.14 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.448 ( 0.876 -0.372 -1.295) 1.607 1.639 ( 0.010 0.372 0.173) 0.411 1.668 ( 0.690 -0.375 -0.520) 0.942 2.089 ( -0.158 0.619 -0.185) 0.666 2.444 ( 3.777 6.488 -5.681) 9.414 2.938 ( -1.116 -0.420 0.076) 1.195 3.154 ( 5.220 -1.595 -4.475) 7.059 3.204 ( -8.075 1.603 0.626) 8.257 3.489 ( 1.893 0.713 0.236) 2.037 3.767 ( 8.854 7.523 -2.780) 11.946 3.837 ( 0.324 -4.988 0.969) 5.091 3.920 ( 0.519 -1.299 1.750) 2.241 4.006 ( -9.944 -6.429 4.046) 12.513 4.466 ( -0.367 -2.549 3.667) 4.481 5.507 ( 0.707 4.795 3.074) 5.739 5.643 ( -3.334 -0.254 -0.386) 3.366 5.906 ( -0.645 -0.499 -1.059) 1.337 6.264 ( 2.559 -1.346 -1.513) 3.264 7.306 ( 0.896 -10.174 -0.514) 10.227 7.412 ( 0.955 4.168 -0.820) 4.354 7.479 ( 1.251 -3.402 1.442) 3.901 7.886 ( -6.656 11.412 -3.843) 13.759 8.270 ( -2.922 -7.425 -2.265) 8.295 8.336 ( -2.686 0.203 1.915) 3.305 8.498 ( 10.772 6.997 2.073) 13.011 8.872 ( 4.741 -4.026 -2.733) 6.794 8.934 ( -3.414 -3.708 0.232) 5.046 9.572 ( 0.590 -0.860 -0.829) 1.332 9.612 ( 6.449 -0.208 10.237) 12.100 9.824 ( -7.472 7.068 0.052) 10.286 10.392 ( -4.730 -3.572 -4.421) 7.394 11.269 ( 2.259 -0.590 0.870) 2.492 11.993 ( 0.026 -5.204 -1.767) 5.496 12.319 ( 0.125 0.371 -0.177) 0.430 13.789 ( 0.098 1.344 0.664) 1.502 14.497 ( 2.323 -1.917 -4.428) 5.356 14.826 ( -2.408 0.769 0.931) 2.694 14.921 ( 0.659 -1.985 2.029) 2.914 17.925 ( 0.056 3.114 -0.335) 3.133 18.605 ( 0.155 -4.220 0.040) 4.223 19.019 ( 0.064 -0.182 -0.162) 0.251 19.539 ( -0.639 5.312 1.146) 5.472 ======================= Grid point 288 (126/324) ======================= q-point: (-0.07 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.451 ( 2.375 0.382 -1.483) 2.826 1.631 ( -1.761 0.299 0.931) 2.014 1.683 ( 1.417 -0.615 -0.519) 1.630 2.072 ( 0.233 1.131 -0.455) 1.241 2.295 ( 6.036 10.257 -3.899) 12.523 2.920 ( -1.402 2.639 -2.982) 4.221 3.017 ( -1.627 10.343 -1.678) 10.604 3.188 ( -0.458 -0.505 -3.506) 3.572 3.464 ( 2.128 1.301 -2.374) 3.444 3.586 ( 4.669 11.148 -4.249) 12.812 3.842 ( -3.941 1.691 0.317) 4.301 4.094 ( 3.350 -8.093 7.444) 11.495 4.204 ( -4.961 -14.396 8.451) 17.414 4.568 ( -3.276 -7.711 2.734) 8.812 5.351 ( 2.873 13.507 3.298) 14.197 5.557 ( -1.975 7.445 -1.342) 7.818 5.804 ( -1.247 9.993 -3.020) 10.514 6.234 ( 1.254 5.196 -0.446) 5.363 7.231 ( -3.195 10.577 2.186) 11.264 7.414 ( 0.725 0.225 -1.424) 1.614 7.602 ( -6.272 -1.642 -1.419) 6.637 7.732 ( 5.753 -3.237 -2.601) 7.095 8.295 ( -1.876 -0.276 -2.606) 3.223 8.381 ( 1.997 -0.298 3.172) 3.760 8.491 ( 1.811 -4.097 -0.584) 4.517 8.953 ( -4.418 0.150 -0.585) 4.459 9.018 ( 5.525 -7.249 1.750) 9.281 9.492 ( -6.194 3.748 -6.886) 9.991 9.584 ( 2.016 2.026 2.596) 3.861 9.891 ( 5.607 -6.848 6.524) 10.996 10.490 ( -4.454 -9.199 3.084) 10.675 11.350 ( 0.164 -6.556 0.399) 6.570 12.044 ( -3.748 -2.133 -2.224) 4.852 12.302 ( 0.454 1.432 -0.521) 1.590 13.757 ( -0.234 1.809 -0.151) 1.830 14.511 ( 0.717 -0.637 -5.623) 5.704 14.808 ( -0.645 0.903 1.025) 1.510 15.011 ( -1.349 -6.679 2.225) 7.168 17.879 ( 2.244 2.274 -0.851) 3.306 18.665 ( -2.874 -2.831 0.420) 4.056 19.027 ( -0.963 -0.729 -0.697) 1.394 19.494 ( 4.341 0.461 1.756) 4.706 ======================= Grid point 295 (127/324) ======================= q-point: ( 0.43 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.452 ( 3.816 0.000 3.798) 5.384 1.549 ( -0.893 -0.000 0.364) 0.964 1.727 ( -0.248 -0.000 0.065) 0.257 1.733 ( 6.498 0.000 8.228) 10.484 2.071 ( 8.403 0.000 -9.178) 12.444 2.156 ( 1.144 0.000 -7.912) 7.994 2.391 ( 0.246 0.000 -3.122) 3.132 2.498 ( -1.155 -0.000 6.964) 7.059 2.695 ( -9.202 -0.000 0.471) 9.214 2.835 ( 6.347 0.000 4.159) 7.589 3.414 ( -7.901 -0.000 -16.330) 18.141 3.687 ( 8.236 0.000 16.082) 18.068 3.724 ( 0.619 0.000 -1.221) 1.369 4.072 ( 9.718 0.000 -10.485) 14.296 4.149 ( 1.957 0.000 10.344) 10.527 4.580 ( -15.453 -0.000 -2.420) 15.641 5.117 ( -2.623 -0.000 6.604) 7.105 6.019 ( -1.247 -0.000 -1.772) 2.167 6.346 ( 1.286 0.000 0.092) 1.290 6.923 ( -1.128 -0.000 -0.846) 1.410 7.991 ( 4.900 0.000 -1.774) 5.211 8.143 ( 5.127 0.000 5.133) 7.255 8.192 ( 2.863 0.000 0.625) 2.930 8.236 ( -3.936 -0.000 7.583) 8.544 8.691 ( -1.102 -0.000 -1.681) 2.010 8.945 ( -6.567 -0.000 -0.066) 6.567 9.183 ( -1.985 -0.000 1.631) 2.569 9.912 ( 1.527 0.000 -0.019) 1.527 10.119 ( 2.883 0.000 -2.411) 3.758 11.047 ( 4.729 0.000 -5.025) 6.900 11.103 ( -1.813 -0.000 -2.973) 3.482 11.501 ( 4.197 0.000 -16.534) 17.058 12.272 ( -0.321 -0.000 0.489) 0.585 12.645 ( -0.192 -0.000 -0.538) 0.571 12.956 ( 7.858 0.000 -16.050) 17.871 13.894 ( -22.341 -0.000 22.384) 31.625 14.878 ( 8.908 0.000 -6.208) 10.858 15.814 ( -4.999 -0.000 3.843) 6.306 18.292 ( 11.700 0.000 4.078) 12.391 18.500 ( -12.161 -0.000 4.701) 13.038 19.406 ( 4.159 0.000 -1.829) 4.544 20.515 ( -0.092 -0.000 5.034) 5.034 ======================= Grid point 296 (128/324) ======================= q-point: (-0.50 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.486 ( -0.880 -0.699 2.326) 2.583 1.566 ( -0.435 -2.263 0.985) 2.506 1.719 ( -1.487 0.193 0.445) 1.565 1.819 ( 5.768 -3.506 7.559) 10.134 2.096 ( 0.186 -1.337 -9.726) 9.819 2.228 ( 4.646 -9.150 -8.927) 13.602 2.410 ( 1.631 -3.624 0.652) 4.027 2.652 ( 0.323 -11.183 6.195) 12.789 2.702 ( -7.014 -5.807 1.224) 9.188 2.908 ( 5.820 -2.580 3.853) 7.441 3.352 ( -8.608 -4.071 -16.595) 19.133 3.780 ( 2.557 -5.577 4.606) 7.672 3.879 ( 1.343 -11.475 6.177) 13.101 4.103 ( -4.060 -0.609 4.087) 5.793 4.180 ( 9.319 -2.910 -6.292) 11.615 4.535 ( -4.139 -0.659 2.064) 4.672 5.150 ( -0.456 -1.984 7.432) 7.706 5.956 ( -2.157 4.640 -3.394) 6.140 6.440 ( 1.155 -8.600 0.145) 8.679 6.947 ( -1.772 -3.047 0.773) 3.609 8.008 ( 3.139 0.418 -2.660) 4.136 8.103 ( 1.289 5.074 1.159) 5.362 8.188 ( 1.966 0.492 1.101) 2.307 8.295 ( -6.603 -3.340 5.901) 9.464 8.711 ( -0.889 -2.777 -1.468) 3.264 8.924 ( 0.877 1.384 4.342) 4.641 9.160 ( -1.082 2.310 2.101) 3.305 9.849 ( 3.180 6.097 -0.020) 6.876 10.095 ( -1.820 2.161 -2.861) 4.021 10.985 ( 3.351 6.753 -9.774) 12.343 11.052 ( -0.004 4.186 -0.349) 4.201 11.467 ( 5.265 0.922 -14.671) 15.614 12.275 ( -0.208 0.308 -0.028) 0.372 12.444 ( 0.589 11.844 -1.418) 11.944 13.178 ( 4.421 -15.235 -10.781) 19.180 13.882 ( -15.693 -3.106 17.866) 23.982 14.907 ( 6.886 -0.631 -5.173) 8.636 15.751 ( -3.788 5.407 3.671) 7.555 18.339 ( 9.396 2.229 2.998) 10.111 18.443 ( -9.669 1.684 6.520) 11.783 19.391 ( 2.125 2.558 -2.234) 4.006 20.482 ( -1.234 4.561 4.404) 6.459 ======================= Grid point 297 (129/324) ======================= q-point: (-0.43 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.477 ( -4.283 0.568 1.863) 4.705 1.616 ( -0.493 -2.483 0.331) 2.553 1.707 ( -1.283 0.443 -0.030) 1.357 1.957 ( 0.123 -5.597 6.687) 8.721 2.125 ( 4.897 -5.142 -9.998) 12.263 2.356 ( -6.025 -5.661 0.634) 8.292 2.564 ( 4.902 -9.061 -4.984) 11.444 2.785 ( 3.985 -7.302 0.132) 8.320 2.971 ( -2.147 -15.750 8.631) 18.087 3.003 ( 2.264 -4.196 2.356) 5.318 3.378 ( -5.046 -7.331 -17.275) 19.432 3.918 ( -9.245 -10.249 -1.183) 13.853 4.087 ( 1.126 0.437 12.998) 13.054 4.183 ( -5.715 -18.665 -0.541) 19.528 4.382 ( 12.452 -13.331 -5.542) 19.065 4.561 ( 3.121 -1.489 3.173) 4.693 5.239 ( 2.039 -4.994 6.474) 8.427 5.808 ( -3.344 8.219 -3.666) 9.601 6.648 ( 1.571 -11.610 0.418) 11.723 7.006 ( -3.782 -3.503 3.854) 6.437 7.882 ( -4.754 10.757 -3.905) 12.392 8.080 ( 6.718 -0.458 -2.646) 7.235 8.221 ( 2.466 -2.802 -0.809) 3.819 8.321 ( -7.167 -2.169 2.481) 7.888 8.744 ( -2.506 -1.356 1.757) 3.348 8.920 ( 5.807 3.233 6.373) 9.208 9.102 ( -0.678 3.871 2.586) 4.704 9.763 ( 6.280 5.336 -2.449) 8.597 10.016 ( -7.300 2.922 0.180) 7.865 10.821 ( 5.959 7.875 -11.563) 15.206 10.918 ( -2.811 8.803 -1.218) 9.321 11.419 ( 3.996 2.766 -9.197) 10.402 12.227 ( -0.506 5.267 -1.170) 5.419 12.295 ( 0.702 3.775 -0.852) 3.933 13.403 ( 0.880 -9.107 -0.338) 9.156 13.974 ( -5.233 -7.909 6.550) 11.525 14.936 ( 4.419 -0.647 -3.225) 5.509 15.603 ( -2.225 9.446 3.014) 10.162 18.314 ( -2.663 2.982 1.478) 4.263 18.395 ( 2.097 3.178 6.887) 7.870 19.326 ( 0.598 4.047 -2.543) 4.817 20.367 ( -2.264 7.747 3.666) 8.864 ======================= Grid point 298 (130/324) ======================= q-point: (-0.36 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.444 ( -5.017 0.674 1.370) 5.244 1.648 ( -1.625 -1.508 -0.600) 2.297 1.690 ( -0.444 0.713 -0.240) 0.874 2.037 ( -4.176 -3.310 1.788) 5.621 2.293 ( 9.005 -10.021 -4.310) 14.145 2.416 ( -12.595 -5.589 3.541) 14.227 2.702 ( 4.756 -5.621 -5.449) 9.160 3.002 ( 12.649 -9.445 -0.810) 15.807 3.100 ( -0.118 -5.655 -0.570) 5.685 3.222 ( -3.589 -7.506 11.961) 14.570 3.428 ( -5.630 -6.405 -15.252) 17.474 4.086 ( -4.438 -10.383 1.930) 11.456 4.205 ( -1.531 -10.578 4.726) 11.687 4.433 ( -1.089 -6.104 -3.234) 6.993 4.671 ( 0.619 -14.227 1.647) 14.336 4.762 ( 8.292 -18.156 -0.340) 19.963 5.408 ( 3.727 -9.849 3.618) 11.135 5.606 ( -4.094 9.458 -1.548) 10.422 6.851 ( -2.132 -8.100 1.258) 8.470 7.067 ( -1.032 -4.143 4.295) 6.056 7.624 ( -3.686 11.199 -3.053) 12.179 8.118 ( 7.468 -0.233 -4.783) 8.871 8.303 ( 1.009 -4.494 -0.190) 4.610 8.319 ( -5.284 -1.338 -3.007) 6.225 8.766 ( -3.940 -1.690 7.060) 8.260 8.880 ( 7.497 6.542 3.463) 10.536 9.044 ( -1.038 2.648 4.905) 5.670 9.664 ( 9.245 8.097 -8.144) 14.742 9.905 ( -10.466 4.713 2.683) 11.787 10.687 ( -3.350 8.856 -5.645) 11.024 10.733 ( 4.889 5.910 -4.177) 8.734 11.376 ( 2.412 -0.406 -5.504) 6.023 12.060 ( 1.046 11.705 -1.875) 11.900 12.273 ( 0.598 -0.386 -1.054) 1.272 13.555 ( -0.584 -6.331 7.317) 9.694 14.130 ( 2.001 -7.910 -1.738) 8.342 14.951 ( 1.822 0.148 -1.232) 2.205 15.405 ( -0.542 11.292 1.987) 11.479 18.230 ( -7.360 3.188 1.714) 8.202 18.382 ( 6.478 2.454 4.121) 8.061 19.238 ( -0.296 4.393 -2.128) 4.890 20.199 ( -3.589 9.285 2.837) 10.351 ======================= Grid point 299 (131/324) ======================= q-point: (-0.29 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.418 ( -3.495 -0.097 0.417) 3.521 1.654 ( -3.596 -0.852 -0.791) 3.779 1.678 ( 1.518 0.798 -0.484) 1.782 2.071 ( -2.664 -1.925 0.635) 3.348 2.459 ( -11.539 -5.200 1.086) 12.704 2.538 ( 6.196 -11.958 -0.509) 13.477 2.813 ( 5.252 -4.988 -4.701) 8.635 3.210 ( 6.908 -6.068 -0.961) 9.245 3.214 ( 1.105 -6.332 -3.059) 7.119 3.298 ( -1.002 -1.162 10.594) 10.705 3.509 ( -5.970 -9.039 -4.845) 11.867 4.224 ( 11.476 0.075 6.467) 13.173 4.379 ( -0.862 -1.528 -11.598) 11.730 4.468 ( -8.949 -7.401 0.679) 11.633 4.981 ( -4.372 -17.238 -0.061) 17.784 5.165 ( 4.212 -19.893 0.820) 20.351 5.448 ( -4.871 2.962 4.236) 7.102 5.672 ( 5.950 -14.081 -0.617) 15.299 6.905 ( -5.960 -1.539 0.427) 6.171 7.215 ( 4.911 -7.701 3.842) 9.909 7.452 ( -1.667 4.542 -0.353) 4.851 8.119 ( 3.555 1.779 -4.801) 6.233 8.299 ( -2.543 -0.470 -2.784) 3.800 8.388 ( -0.906 -3.820 -2.130) 4.466 8.786 ( 5.837 5.425 -0.280) 7.973 8.803 ( -0.167 1.349 7.284) 7.410 9.018 ( -1.701 1.899 8.302) 8.685 9.520 ( 8.200 8.109 -8.324) 14.222 9.764 ( -7.471 5.307 2.943) 9.625 10.455 ( -5.278 10.284 -3.633) 12.117 10.640 ( 2.570 6.702 -5.038) 8.770 11.457 ( 1.232 -7.779 -2.813) 8.363 11.813 ( 4.967 14.220 -1.768) 15.166 12.288 ( -0.001 -1.098 -0.986) 1.476 13.684 ( -0.533 -4.824 8.470) 9.762 14.269 ( 4.988 -5.773 -3.955) 8.593 14.939 ( -0.816 1.274 0.133) 1.519 15.200 ( 1.180 10.747 0.863) 10.846 18.136 ( -6.754 3.278 1.216) 7.605 18.401 ( 6.198 -0.041 1.958) 6.500 19.149 ( -0.741 4.007 -1.171) 4.240 20.007 ( -4.756 9.474 1.941) 10.777 ======================= Grid point 300 (132/324) ======================= q-point: (-0.21 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.416 ( -0.818 -0.950 -0.694) 1.432 1.646 ( -3.777 -0.579 0.168) 3.825 1.670 ( 1.930 0.732 -1.237) 2.407 2.088 ( -1.423 -0.863 0.561) 1.757 2.491 ( -6.411 -3.356 -2.350) 7.608 2.805 ( 5.074 -12.461 1.245) 13.512 2.901 ( 1.943 -3.896 -3.555) 5.621 3.219 ( -4.331 1.501 2.111) 5.047 3.350 ( 0.696 -6.447 2.501) 6.950 3.446 ( 9.014 -7.826 3.161) 12.349 3.653 ( -5.960 -9.346 0.785) 11.113 4.200 ( 2.860 8.300 -5.158) 10.182 4.255 ( 8.613 9.274 -7.746) 14.839 4.521 ( -7.512 -0.658 3.330) 8.243 5.254 ( -6.911 -15.140 -0.697) 16.657 5.475 ( -1.425 -7.149 4.474) 8.553 5.552 ( 1.022 -15.616 2.657) 15.873 5.964 ( 5.043 -13.406 -2.758) 14.587 6.935 ( -1.495 -5.142 -0.631) 5.392 7.348 ( 2.853 -1.525 4.424) 5.480 7.451 ( 0.563 -4.677 -0.216) 4.716 8.066 ( -2.483 2.179 -3.320) 4.683 8.286 ( -0.572 1.194 -4.364) 4.561 8.404 ( -1.017 1.206 0.965) 1.849 8.712 ( 9.549 5.210 -1.971) 11.055 8.795 ( -3.745 0.118 3.679) 5.251 8.983 ( 2.436 4.865 4.208) 6.879 9.442 ( 3.289 0.882 0.521) 3.445 9.671 ( -3.399 2.697 4.393) 6.174 10.231 ( -4.239 10.179 -2.746) 11.364 10.479 ( -1.258 7.499 -7.821) 10.908 11.492 ( -1.900 7.911 0.482) 8.150 11.721 ( 9.292 -5.220 -2.893) 11.044 12.304 ( -0.336 -0.944 -0.707) 1.226 13.775 ( -0.482 -2.473 6.230) 6.720 14.378 ( 5.559 -4.220 -3.413) 7.769 14.897 ( -3.003 2.186 0.411) 3.738 15.033 ( 2.619 7.788 0.495) 8.232 18.048 ( -4.934 3.123 0.627) 5.873 18.459 ( 5.196 -2.427 0.592) 5.765 19.076 ( -0.688 2.995 -0.273) 3.085 19.813 ( -5.208 8.675 1.205) 10.189 ======================= Grid point 301 (133/324) ======================= q-point: (-0.14 -0.57 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.435 ( 1.420 -1.083 -1.566) 2.375 1.638 ( -3.310 -0.268 1.323) 3.574 1.665 ( 1.586 0.139 -1.746) 2.363 2.093 ( -0.647 -0.071 0.356) 0.741 2.498 ( -0.313 -0.235 -5.423) 5.437 2.928 ( 2.176 -0.779 -1.678) 2.856 3.070 ( 2.292 -9.848 1.295) 10.193 3.177 ( -5.406 0.778 2.817) 6.145 3.476 ( 4.440 -4.438 2.212) 6.656 3.671 ( 4.114 -10.764 2.924) 11.889 3.775 ( -6.795 -5.865 3.369) 9.588 3.978 ( -3.253 8.231 -9.965) 13.328 4.085 ( 7.646 11.779 -4.365) 14.706 4.487 ( -1.735 2.347 5.947) 6.625 5.458 ( -5.470 -9.345 -0.644) 10.847 5.591 ( -0.919 -3.923 3.848) 5.571 5.811 ( 0.785 -9.363 1.014) 9.451 6.182 ( 3.297 -7.994 -3.086) 9.181 7.093 ( 2.117 -11.102 -0.496) 11.313 7.399 ( 2.685 -2.208 1.724) 3.881 7.512 ( 0.176 0.250 0.132) 0.332 7.989 ( -8.392 4.027 -2.441) 9.623 8.201 ( 0.490 2.816 -3.792) 4.749 8.375 ( 0.517 2.623 3.031) 4.041 8.675 ( 9.460 4.566 1.017) 10.554 8.811 ( -4.712 -3.244 2.503) 6.244 8.907 ( 5.252 3.446 -4.249) 7.583 9.511 ( 0.863 -4.275 2.416) 4.986 9.656 ( -0.959 -0.774 9.021) 9.105 9.986 ( -5.223 12.563 -2.355) 13.808 10.345 ( -1.340 2.476 -6.552) 7.131 11.339 ( 1.488 6.371 0.161) 6.544 11.880 ( 3.714 -6.729 -2.559) 8.101 12.315 ( -0.229 -0.584 -0.386) 0.736 13.809 ( -0.395 0.088 2.966) 2.993 14.461 ( 4.688 -2.657 -2.702) 6.028 14.837 ( -2.774 1.984 -0.334) 3.427 14.946 ( 1.698 3.153 1.657) 3.946 17.975 ( -2.574 2.649 0.150) 3.697 18.540 ( 3.303 -3.342 -0.032) 4.699 19.032 ( -0.131 1.448 0.101) 1.457 19.643 ( -4.225 6.712 0.907) 7.982 ======================= Grid point 302 (134/324) ======================= q-point: (-0.07 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.457 ( 2.851 -0.572 -2.057) 3.562 1.627 ( -3.328 0.193 1.707) 3.745 1.673 ( 1.126 -0.719 -1.291) 1.858 2.087 ( -0.070 0.529 0.020) 0.534 2.454 ( 5.416 4.417 -6.441) 9.504 2.930 ( -0.668 0.621 0.665) 1.129 3.138 ( -4.744 2.756 0.260) 5.493 3.173 ( 2.644 -0.328 -2.886) 3.928 3.508 ( 3.919 3.053 -3.533) 6.096 3.808 ( 2.061 6.804 -2.098) 7.413 3.823 ( -5.795 -2.112 1.399) 6.325 3.952 ( -0.060 -7.692 4.657) 8.992 3.974 ( 1.661 -7.227 3.654) 8.267 4.472 ( -2.491 -0.864 2.760) 3.817 5.521 ( -1.075 1.296 0.959) 1.938 5.620 ( -1.170 1.311 1.880) 2.573 5.898 ( 0.163 0.754 -0.580) 0.964 6.274 ( 1.499 -1.283 -2.202) 2.957 7.318 ( 1.557 -8.680 0.193) 8.821 7.412 ( 0.046 5.300 -0.543) 5.328 7.500 ( 1.236 -2.915 0.301) 3.180 7.803 ( -4.356 7.451 -3.150) 9.188 8.236 ( -0.786 -5.105 -2.216) 5.620 8.323 ( -1.994 2.211 1.998) 3.586 8.617 ( 8.444 6.651 2.814) 11.112 8.886 ( -5.876 -4.799 2.168) 7.891 8.922 ( 6.665 -4.084 -2.772) 8.293 9.516 ( -4.796 2.384 -9.188) 10.635 9.691 ( -1.258 8.580 1.512) 8.803 9.822 ( 1.219 -5.644 12.487) 13.757 10.346 ( -0.306 -4.200 -0.869) 4.300 11.286 ( 0.739 -0.187 -0.537) 0.933 11.974 ( -0.746 -3.231 -2.943) 4.434 12.318 ( 0.046 0.234 -0.322) 0.401 13.793 ( -0.077 1.747 0.575) 1.841 14.500 ( 3.062 -0.249 -3.499) 4.657 14.808 ( -1.795 -0.050 0.427) 1.846 14.938 ( -0.169 -1.282 2.186) 2.539 17.925 ( 0.146 1.961 -0.253) 1.982 18.606 ( 0.035 -2.543 -0.064) 2.544 19.018 ( 0.080 0.163 -0.147) 0.234 19.540 ( -0.656 2.782 1.130) 3.074 ======================= Grid point 310 (135/324) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.471 ( -4.387 -0.000 2.268) 4.939 1.531 ( -4.155 -0.000 0.886) 4.248 1.713 ( -1.614 -0.000 -0.113) 1.618 1.833 ( 0.485 0.000 10.576) 10.588 2.073 ( 1.797 0.000 -15.985) 16.086 2.101 ( 7.799 0.000 -8.711) 11.693 2.391 ( -2.361 -0.000 2.749) 3.624 2.541 ( -1.842 -0.000 9.435) 9.613 2.639 ( -0.273 -0.000 -0.071) 0.282 2.941 ( 7.712 0.000 4.960) 9.169 3.203 ( -12.388 -0.000 -15.339) 19.716 3.714 ( -0.575 -0.000 -2.109) 2.186 3.800 ( -5.845 -0.000 3.875) 7.013 4.100 ( 0.664 0.000 3.550) 3.611 4.176 ( 5.975 0.000 -1.872) 6.261 4.552 ( 6.513 0.000 4.079) 7.685 5.162 ( 1.209 0.000 10.356) 10.427 5.973 ( -3.400 -0.000 -5.208) 6.220 6.353 ( -0.096 -0.000 0.097) 0.136 6.912 ( 0.222 0.000 -1.037) 1.060 8.015 ( 1.792 0.000 -2.871) 3.385 8.144 ( -6.119 -0.000 0.196) 6.122 8.220 ( 1.018 0.000 1.609) 1.904 8.247 ( -4.925 -0.000 10.227) 11.351 8.659 ( -1.737 -0.000 -3.454) 3.866 8.977 ( 6.908 0.000 7.402) 10.125 9.190 ( 0.497 0.000 2.489) 2.538 9.921 ( 0.121 0.000 0.038) 0.126 10.097 ( -2.381 -0.000 -5.524) 6.015 11.033 ( 1.803 0.000 -9.628) 9.795 11.103 ( 3.165 0.000 0.333) 3.182 11.454 ( 8.152 0.000 -18.217) 19.957 12.276 ( 0.204 0.000 0.819) 0.844 12.639 ( -0.171 -0.000 -0.864) 0.881 12.931 ( 6.492 0.000 -15.533) 16.835 13.834 ( -15.551 -0.000 20.629) 25.834 14.916 ( 5.677 0.000 -5.514) 7.914 15.798 ( -2.827 -0.000 3.952) 4.859 18.370 ( -6.790 -0.000 1.729) 7.007 18.486 ( 7.083 0.000 10.043) 12.290 19.414 ( -0.080 -0.000 -2.312) 2.313 20.529 ( -2.585 -0.000 4.507) 5.196 ======================= Grid point 311 (136/324) ======================= q-point: (-0.43 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.453 ( -7.974 -0.564 1.353) 8.107 1.540 ( -6.781 -3.515 0.420) 7.649 1.705 ( -0.853 0.078 -0.453) 0.969 1.883 ( -4.933 -3.059 7.928) 9.826 2.053 ( 9.285 -1.902 -11.620) 14.995 2.210 ( 0.593 -7.111 -5.957) 9.295 2.419 ( -2.684 -5.325 2.560) 6.489 2.666 ( -2.065 -7.955 3.003) 8.750 2.722 ( 5.232 -9.414 5.714) 12.192 2.992 ( 3.758 -0.481 3.464) 5.133 3.159 ( -7.730 -6.565 -14.746) 17.897 3.731 ( -13.827 -2.528 -5.295) 15.021 3.844 ( -6.942 -11.939 -1.621) 13.905 4.130 ( 0.812 -0.799 10.565) 10.627 4.272 ( 15.367 -4.847 -0.031) 16.114 4.601 ( 9.396 0.468 1.913) 9.600 5.222 ( 3.185 -1.508 11.108) 11.653 5.891 ( -4.402 4.359 -6.558) 9.022 6.446 ( -0.180 -9.255 0.323) 9.262 6.941 ( -0.266 -2.787 0.597) 2.862 7.975 ( -5.936 3.796 -3.606) 7.915 8.102 ( -0.909 0.645 -0.027) 1.115 8.215 ( 2.308 1.025 2.911) 3.854 8.258 ( -6.927 -1.250 4.507) 8.358 8.689 ( -1.698 -3.778 -0.996) 4.260 9.031 ( 9.322 1.684 8.598) 12.793 9.176 ( 1.167 2.722 2.434) 3.834 9.861 ( -1.347 4.641 0.570) 4.866 10.040 ( -3.423 2.366 -5.797) 7.136 10.949 ( 3.388 6.061 -12.344) 14.163 11.062 ( 2.456 6.427 -0.468) 6.896 11.441 ( 8.055 0.528 -15.420) 17.405 12.277 ( 0.610 0.805 0.133) 1.019 12.435 ( -0.658 11.474 -1.623) 11.607 13.164 ( 5.717 -16.281 -10.366) 20.130 13.857 ( -10.210 -3.704 16.799) 20.004 14.932 ( 3.866 -0.692 -4.492) 5.967 15.747 ( -1.480 5.386 3.658) 6.678 18.317 ( -10.223 1.352 2.827) 10.692 18.532 ( 10.388 3.486 9.182) 14.296 19.377 ( -1.655 2.403 -2.706) 3.980 20.483 ( -3.634 4.644 4.486) 7.410 ======================= Grid point 312 (137/324) ======================= q-point: (-0.36 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.419 ( -8.702 -0.309 0.760) 8.741 1.573 ( -8.311 -3.785 -0.718) 9.161 1.698 ( 0.117 0.241 -0.592) 0.649 1.938 ( -6.302 -4.275 2.657) 8.066 2.167 ( 9.621 -6.671 -4.519) 12.550 2.270 ( -10.523 -4.120 1.875) 11.455 2.579 ( 2.229 -8.709 -1.916) 9.192 2.846 ( 7.574 -11.097 -2.609) 13.686 3.026 ( -0.494 -8.424 4.513) 9.570 3.028 ( 1.321 -9.016 5.634) 10.713 3.250 ( 0.928 -7.567 -13.491) 15.496 3.721 ( -22.275 -10.977 -4.157) 25.179 4.065 ( -6.443 -12.261 -0.636) 13.865 4.253 ( 7.004 -8.421 8.877) 14.098 4.497 ( 12.197 -10.211 1.584) 15.986 4.645 ( 9.329 -0.414 -0.595) 9.357 5.323 ( 4.238 -3.835 9.177) 10.812 5.732 ( -5.159 7.381 -6.414) 11.056 6.658 ( -0.601 -11.666 1.058) 11.730 7.004 ( -1.018 -3.472 3.376) 4.948 7.789 ( -7.929 9.640 -2.855) 12.805 8.121 ( 2.864 -1.672 -1.562) 3.665 8.225 ( -1.395 -1.640 -2.555) 3.341 8.273 ( -1.216 -1.718 1.277) 2.462 8.736 ( -2.565 -1.925 3.798) 4.971 9.054 ( 10.499 4.527 7.029) 13.421 9.117 ( -0.324 4.161 2.775) 5.013 9.782 ( -1.139 3.310 -0.493) 3.535 9.938 ( -4.984 4.352 -4.407) 7.950 10.805 ( 6.515 6.450 -13.507) 16.325 10.898 ( 0.093 10.472 -0.411) 10.480 11.403 ( 4.241 2.640 -9.165) 10.437 12.222 ( 1.195 5.578 -1.847) 5.996 12.293 ( -0.072 3.285 -0.660) 3.351 13.428 ( 4.144 -10.387 -0.083) 11.183 13.979 ( -1.626 -8.175 6.140) 10.353 14.950 ( 1.798 -0.644 -2.619) 3.241 15.611 ( 0.101 9.452 2.845) 9.872 18.237 ( -10.540 2.241 2.857) 11.148 18.522 ( 9.645 5.358 6.882) 13.004 19.300 ( -2.054 3.546 -2.772) 4.947 20.351 ( -5.376 8.048 4.096) 10.510 ======================= Grid point 313 (138/324) ======================= q-point: (-0.29 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.389 ( -6.518 -0.708 0.172) 6.559 1.589 ( -8.243 -2.872 -1.320) 8.828 1.694 ( 0.943 0.363 -0.513) 1.133 1.997 ( -4.225 -4.090 1.185) 5.998 2.289 ( -13.810 -5.953 3.993) 15.560 2.365 ( 5.800 -8.792 -1.673) 10.665 2.724 ( 4.078 -6.240 -2.770) 7.953 3.049 ( -2.641 -6.926 -6.398) 9.792 3.147 ( 12.399 -9.288 -1.002) 15.525 3.267 ( -0.617 -4.518 5.430) 7.091 3.340 ( 1.947 -6.752 -1.630) 7.214 3.939 ( -17.710 -22.656 -2.150) 28.837 4.225 ( -2.957 -7.666 0.622) 8.240 4.476 ( 11.664 -3.369 -1.819) 12.276 4.695 ( 0.640 -9.408 4.098) 10.282 4.845 ( 7.530 -15.844 0.396) 17.547 5.467 ( 0.265 -5.336 5.893) 7.954 5.553 ( -1.113 4.326 -4.603) 6.414 6.823 ( -5.051 -5.557 2.590) 7.944 7.106 ( 3.475 -6.609 3.034) 8.059 7.566 ( -4.231 8.683 -1.274) 9.743 8.149 ( 2.194 0.508 -2.764) 3.566 8.240 ( -2.267 -2.917 -7.950) 8.766 8.320 ( 1.831 -2.594 1.978) 3.741 8.776 ( -2.795 -2.105 7.070) 7.889 8.979 ( 5.445 7.890 0.979) 9.636 9.083 ( 2.618 2.532 8.341) 9.102 9.683 ( 3.458 6.940 -7.220) 10.595 9.805 ( -8.891 4.446 -2.611) 10.278 10.643 ( 0.412 11.377 -1.951) 11.550 10.750 ( 3.809 4.988 -5.515) 8.355 11.369 ( 3.253 -1.076 -5.366) 6.367 12.073 ( 4.085 10.833 -3.056) 11.974 12.267 ( -0.499 -0.311 -0.927) 1.098 13.609 ( 1.712 -6.325 7.975) 10.321 14.155 ( 5.012 -8.104 -2.184) 9.776 14.951 ( -0.426 0.433 -1.009) 1.178 15.424 ( 1.722 11.333 1.761) 11.598 18.148 ( -9.821 2.363 2.013) 10.300 18.491 ( 8.357 4.247 4.112) 10.236 19.212 ( -1.834 3.768 -1.999) 4.643 20.162 ( -7.242 9.454 3.197) 12.331 ======================= Grid point 314 (139/324) ======================= q-point: (-0.21 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.385 ( -2.381 -1.492 -0.871) 2.942 1.593 ( -6.814 -2.227 -0.817) 7.216 1.688 ( 1.105 0.617 -0.689) 1.441 2.049 ( -2.309 -2.654 0.982) 3.653 2.346 ( -12.522 -6.282 2.920) 14.311 2.580 ( 2.078 -12.071 0.591) 12.262 2.834 ( 3.554 -4.338 -4.690) 7.310 3.159 ( -1.468 -8.706 -6.563) 11.001 3.255 ( 2.502 0.578 0.737) 2.672 3.420 ( 10.617 -7.936 2.961) 13.582 3.477 ( -0.576 -5.504 7.113) 9.012 4.240 ( -8.702 -7.768 -13.388) 17.757 4.313 ( -3.229 -9.593 6.213) 11.876 4.473 ( 9.903 6.467 -3.482) 12.329 4.942 ( -3.357 -13.889 1.955) 14.422 5.211 ( 2.940 -18.605 2.326) 18.979 5.420 ( -5.282 -0.401 3.857) 6.553 5.727 ( 5.677 -12.804 -1.958) 14.142 6.863 ( -3.704 -2.246 2.247) 4.880 7.288 ( 5.311 -8.055 2.229) 9.903 7.435 ( -1.498 3.482 0.659) 3.848 8.100 ( -1.709 3.226 -3.532) 5.080 8.261 ( 0.527 -2.020 -7.105) 7.405 8.387 ( 1.212 -2.364 2.400) 3.580 8.807 ( -2.832 0.458 4.302) 5.171 8.861 ( 5.041 6.611 -0.726) 8.345 9.080 ( 2.289 2.572 10.821) 11.355 9.537 ( 5.045 7.092 -7.920) 11.768 9.682 ( -8.952 2.169 -2.430) 9.526 10.423 ( 0.460 11.628 1.762) 11.769 10.616 ( -0.076 8.724 -6.169) 10.685 11.459 ( 2.594 -6.286 -2.094) 7.115 11.866 ( 7.824 11.714 -3.418) 14.496 12.277 ( -0.802 -1.197 -1.078) 1.799 13.737 ( 0.101 -3.823 8.851) 9.642 14.309 ( 7.482 -5.769 -3.902) 10.222 14.920 ( -2.455 1.755 -0.402) 3.044 15.228 ( 3.003 10.750 0.940) 11.202 18.064 ( -8.158 2.046 1.027) 8.473 18.487 ( 7.480 1.448 1.888) 7.849 19.131 ( -1.429 3.419 -0.877) 3.808 19.952 ( -8.258 9.227 2.127) 12.565 ======================= Grid point 315 (140/324) ======================= q-point: (-0.14 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.411 ( 1.358 -1.806 -1.863) 2.928 1.599 ( -5.318 -1.808 0.211) 5.621 1.677 ( 0.937 0.764 -1.064) 1.611 2.079 ( -1.170 -1.219 0.789) 1.865 2.409 ( -7.637 -5.349 -0.455) 9.335 2.841 ( -0.797 -13.993 2.750) 14.283 2.901 ( 3.025 -2.981 -4.552) 6.226 3.206 ( 1.374 1.880 -1.246) 2.641 3.357 ( 0.306 -9.283 1.628) 9.430 3.581 ( 6.554 -3.918 5.670) 9.511 3.626 ( 0.894 -7.753 3.598) 8.594 4.096 ( -5.106 8.581 -14.224) 17.379 4.334 ( 7.616 11.140 -4.187) 14.129 4.499 ( -2.685 -4.354 6.410) 8.201 5.179 ( -6.497 -14.213 0.090) 15.628 5.481 ( -2.381 -7.999 3.884) 9.205 5.586 ( 1.952 -15.083 3.336) 15.571 5.991 ( 3.923 -12.552 -3.944) 13.729 6.937 ( 1.213 -6.423 1.383) 6.681 7.395 ( 2.403 -0.218 1.965) 3.112 7.461 ( 1.375 -5.338 0.243) 5.518 8.008 ( -4.367 3.515 -2.395) 6.096 8.253 ( -0.293 1.656 -5.564) 5.812 8.427 ( 2.876 0.355 3.434) 4.493 8.737 ( -7.941 2.098 3.539) 8.944 8.819 ( 10.203 3.062 -2.659) 10.980 9.040 ( 3.273 6.452 3.572) 8.068 9.471 ( 2.031 -0.141 -1.491) 2.523 9.628 ( -7.138 -1.389 1.110) 7.356 10.207 ( -1.529 12.778 2.036) 13.029 10.426 ( 0.970 7.685 -5.919) 9.749 11.479 ( -0.952 5.852 -0.038) 5.929 11.802 ( 10.281 -2.146 -4.076) 11.266 12.293 ( -0.648 -1.243 -0.853) 1.641 13.807 ( -0.904 -1.320 5.980) 6.191 14.426 ( 7.333 -3.687 -2.648) 8.625 14.863 ( -3.199 2.362 -0.812) 4.059 15.068 ( 2.969 7.950 1.063) 8.553 17.995 ( -5.739 1.648 0.392) 5.983 18.523 ( 6.302 -0.924 0.482) 6.387 19.067 ( -0.683 2.462 -0.044) 2.556 19.752 ( -7.961 7.800 1.307) 11.221 ======================= Grid point 316 (141/324) ======================= q-point: (-0.07 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.448 ( 3.362 -1.375 -2.364) 4.334 1.605 ( -4.598 -1.101 1.440) 4.943 1.667 ( 0.808 0.196 -1.595) 1.798 2.089 ( -0.479 -0.241 0.426) 0.685 2.459 ( -1.497 -2.944 -3.969) 5.163 2.936 ( 1.851 -1.210 -2.298) 3.189 3.089 ( -0.270 -8.821 1.959) 9.040 3.169 ( 0.409 1.904 2.214) 2.949 3.521 ( 4.259 -5.419 -1.630) 7.082 3.707 ( -5.291 -6.253 3.380) 8.861 3.761 ( 3.051 -3.314 3.141) 5.491 3.886 ( -2.609 2.178 -7.293) 8.046 4.125 ( 4.009 12.388 -2.249) 13.213 4.509 ( -0.926 2.928 4.847) 5.738 5.393 ( -5.767 -10.934 -0.567) 12.375 5.609 ( -0.351 -4.293 3.530) 5.568 5.833 ( 1.725 -8.162 1.638) 8.502 6.188 ( 1.986 -7.651 -3.798) 8.770 7.125 ( 3.743 -11.114 0.720) 11.750 7.433 ( 2.659 -1.496 -0.007) 3.051 7.517 ( 0.931 0.268 0.094) 0.973 7.891 ( -7.436 5.756 -1.992) 9.613 8.191 ( 1.524 1.250 -3.129) 3.698 8.409 ( 2.464 4.562 3.076) 6.029 8.712 ( -8.594 -1.547 5.453) 10.295 8.828 ( 9.246 1.021 -0.868) 9.343 8.936 ( 4.734 4.314 -3.293) 7.202 9.478 ( -3.825 -0.498 -7.979) 8.862 9.704 ( -1.829 -7.118 11.052) 13.273 9.928 ( -5.394 13.976 -0.130) 14.981 10.339 ( 4.844 2.226 -0.618) 5.367 11.344 ( -0.015 5.972 -0.854) 6.032 11.904 ( 4.981 -3.809 -3.916) 7.393 12.310 ( -0.215 -0.871 -0.514) 1.034 13.819 ( -1.012 0.722 2.501) 2.793 14.502 ( 5.795 -1.276 -1.778) 6.195 14.807 ( -2.287 1.252 -0.937) 2.771 14.971 ( 1.055 3.921 1.815) 4.447 17.947 ( -2.860 1.096 0.051) 3.064 18.576 ( 3.811 -1.471 -0.134) 4.087 19.032 ( 0.170 1.212 0.142) 1.232 19.598 ( -5.646 4.763 1.005) 7.455 ======================= Grid point 325 (142/324) ======================= q-point: (-0.43 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.389 ( -13.179 -0.000 1.325) 13.245 1.448 ( -12.248 -0.000 -2.110) 12.428 1.700 ( -0.365 -0.000 -1.058) 1.119 1.848 ( -5.552 -0.000 5.471) 7.795 2.078 ( 13.859 0.000 -8.240) 16.124 2.116 ( 4.075 0.000 -6.181) 7.403 2.348 ( -11.750 -0.000 5.860) 13.130 2.573 ( -1.302 -0.000 8.468) 8.568 2.693 ( 8.283 0.000 0.679) 8.310 2.963 ( -12.035 -0.000 -9.507) 15.337 3.049 ( 2.904 0.000 -1.101) 3.105 3.618 ( -18.831 -0.000 -7.583) 20.300 3.686 ( -1.771 -0.000 -2.651) 3.188 4.153 ( 2.778 0.000 7.144) 7.665 4.332 ( 16.572 0.000 7.656) 18.255 4.662 ( 10.469 0.000 -0.797) 10.499 5.272 ( 4.896 0.000 13.668) 14.518 5.882 ( -5.784 -0.000 -8.446) 10.236 6.346 ( -1.462 -0.000 0.066) 1.463 6.915 ( 1.538 0.000 -1.101) 1.891 7.965 ( -7.948 -0.000 -2.782) 8.421 8.092 ( -0.815 -0.000 -1.935) 2.100 8.230 ( -1.480 -0.000 2.144) 2.605 8.271 ( -5.788 -0.000 15.329) 16.385 8.619 ( -1.131 -0.000 -3.950) 4.109 9.123 ( 9.164 0.000 8.131) 12.251 9.221 ( 2.416 0.000 2.485) 3.466 9.915 ( -1.284 -0.000 0.074) 1.287 10.002 ( -7.293 -0.000 -8.368) 11.100 10.981 ( 1.171 0.000 -11.572) 11.631 11.154 ( 6.491 0.000 -0.191) 6.493 11.443 ( 12.980 0.000 -19.694) 23.587 12.286 ( 0.696 0.000 0.998) 1.217 12.631 ( -0.124 -0.000 -1.045) 1.052 12.889 ( 4.123 0.000 -15.638) 16.172 13.832 ( -9.566 -0.000 19.903) 22.082 14.927 ( 2.788 0.000 -4.720) 5.482 15.805 ( -0.573 -0.000 3.808) 3.851 18.286 ( -10.712 -0.000 3.470) 11.260 18.659 ( 11.661 0.000 10.902) 15.964 19.377 ( -3.658 -0.000 -2.824) 4.621 20.525 ( -4.156 -0.000 5.592) 6.967 ======================= Grid point 326 (143/324) ======================= q-point: (-0.36 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.337 ( -14.888 -1.779 -0.157) 14.994 1.418 ( -14.847 -5.062 -2.808) 15.936 1.696 ( -0.171 -0.144 -1.154) 1.175 1.858 ( -4.090 -2.085 3.879) 6.011 2.115 ( 4.673 -1.782 -2.712) 5.689 2.175 ( 0.189 -2.655 -1.640) 3.126 2.390 ( -4.906 -9.518 2.562) 11.010 2.693 ( 2.913 -7.868 3.159) 8.965 2.814 ( 4.804 -9.120 3.902) 11.021 2.944 ( -5.562 -6.031 -8.065) 11.504 3.076 ( -2.846 -4.472 -3.310) 6.249 3.502 ( -15.530 -0.415 -7.128) 17.093 3.783 ( -3.790 -11.157 -2.683) 12.085 4.219 ( 4.280 -2.748 9.466) 10.746 4.470 ( 16.261 -2.823 7.604) 18.171 4.701 ( 10.105 0.750 -3.269) 10.647 5.348 ( 5.710 -0.544 13.200) 14.393 5.783 ( -6.712 3.876 -9.555) 12.303 6.440 ( -1.406 -9.953 0.505) 10.065 6.949 ( 1.230 -2.751 0.438) 3.045 7.871 ( -9.586 4.472 -1.270) 10.654 8.092 ( -0.350 -0.689 -1.398) 1.598 8.204 ( -7.855 1.598 3.699) 8.828 8.280 ( 4.037 0.165 6.082) 7.302 8.669 ( -1.826 -4.855 0.845) 5.256 9.173 ( 6.068 1.605 6.359) 8.936 9.213 ( 4.232 3.251 2.141) 5.750 9.822 ( -6.904 4.474 -0.220) 8.229 9.959 ( -3.350 0.758 -7.138) 7.921 10.900 ( 3.628 4.774 -14.698) 15.874 11.101 ( 6.358 8.793 -1.196) 10.916 11.440 ( 10.513 1.425 -15.492) 18.776 12.287 ( 1.065 1.304 -0.069) 1.685 12.410 ( -2.041 10.797 -1.764) 11.129 13.163 ( 6.822 -19.202 -10.887) 23.104 13.882 ( -5.447 -3.523 16.660) 17.878 14.933 ( 1.465 -0.814 -3.601) 3.972 15.765 ( 0.547 5.356 3.381) 6.357 18.228 ( -10.613 1.433 3.568) 11.288 18.705 ( 10.611 4.936 10.261) 15.564 19.327 ( -4.011 1.908 -3.069) 5.398 20.468 ( -5.703 5.421 6.305) 10.083 ======================= Grid point 327 (144/324) ======================= q-point: (-0.29 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.307 ( -12.726 -2.955 -0.696) 13.083 1.441 ( -14.359 -5.864 -2.775) 15.756 1.696 ( 0.134 -0.198 -0.845) 0.878 1.905 ( -3.293 -3.621 3.222) 5.860 2.138 ( -13.479 -3.659 4.223) 14.591 2.261 ( 6.019 -5.204 -1.717) 8.140 2.591 ( 2.319 -9.464 -0.979) 9.793 2.866 ( 0.672 -8.875 -7.126) 11.401 3.019 ( 4.138 -8.038 -1.756) 9.210 3.110 ( 0.885 -13.998 8.937) 16.631 3.226 ( 3.757 -10.564 -6.273) 12.848 3.467 ( -18.697 -9.633 -3.457) 21.315 3.989 ( -5.990 -12.917 -2.970) 14.544 4.385 ( 7.803 -8.835 8.574) 14.576 4.644 ( 10.286 -4.671 7.141) 13.365 4.728 ( 10.215 -0.929 -5.390) 11.587 5.434 ( 4.855 -1.774 10.379) 11.595 5.621 ( -6.704 5.871 -9.181) 12.795 6.649 ( -2.608 -11.015 1.679) 11.443 7.027 ( 1.705 -4.412 2.633) 5.413 7.701 ( -6.937 8.110 0.345) 10.677 8.115 ( -2.528 -3.057 0.019) 3.967 8.159 ( -4.947 -0.595 -4.467) 6.691 8.327 ( 7.371 -0.259 2.008) 7.644 8.743 ( -1.391 -2.795 5.175) 6.044 9.116 ( -2.063 5.850 0.630) 6.235 9.204 ( 9.677 3.403 5.764) 11.766 9.727 ( -9.314 1.868 0.164) 9.500 9.866 ( -1.099 5.348 -7.844) 9.557 10.789 ( 7.149 4.245 -14.254) 16.501 10.916 ( 3.002 12.177 1.163) 12.596 11.397 ( 5.910 2.924 -8.769) 10.971 12.220 ( 0.928 4.634 -3.083) 5.643 12.289 ( 0.179 3.319 -0.464) 3.356 13.485 ( 7.292 -12.110 -0.724) 14.154 14.017 ( 1.427 -7.852 6.101) 10.046 14.944 ( 0.071 -0.571 -2.023) 2.103 15.639 ( 1.824 9.392 2.490) 9.886 18.147 ( -10.277 2.349 2.918) 10.938 18.661 ( 8.034 7.058 7.233) 12.910 19.255 ( -2.897 2.752 -2.613) 4.775 20.308 ( -8.876 9.064 5.536) 13.842 ======================= Grid point 328 (145/324) ======================= q-point: (-0.21 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.316 ( -6.711 -3.571 -1.071) 7.677 1.472 ( -11.644 -5.428 -2.165) 13.028 1.697 ( 0.346 0.064 -0.660) 0.748 1.974 ( -2.513 -4.083 2.485) 5.400 2.169 ( -14.786 -5.856 5.651) 16.877 2.401 ( 1.885 -7.994 -0.656) 8.239 2.735 ( 1.421 -5.855 -4.637) 7.603 2.973 ( -0.304 -7.730 -7.168) 10.546 3.273 ( 11.612 -9.694 1.366) 15.188 3.284 ( 3.218 -2.409 -1.761) 4.389 3.413 ( 4.184 -8.605 8.258) 12.640 3.734 ( -17.842 -26.199 -2.966) 31.836 4.163 ( -5.428 -9.409 -4.437) 11.734 4.600 ( 13.096 -0.937 -2.898) 13.446 4.741 ( 1.600 -7.161 7.440) 10.450 4.923 ( 6.256 -13.395 1.868) 14.902 5.438 ( -7.224 4.315 -0.824) 8.455 5.569 ( 4.787 -5.959 0.256) 7.648 6.789 ( -4.975 -5.100 3.380) 7.886 7.167 ( 4.842 -7.742 1.960) 9.339 7.530 ( -2.592 6.954 1.597) 7.591 8.120 ( -3.537 0.583 -3.201) 4.806 8.178 ( -1.752 -3.821 -5.581) 6.987 8.378 ( 6.757 -0.895 1.367) 6.952 8.798 ( -1.093 -1.594 5.825) 6.137 8.984 ( -3.023 5.898 0.488) 6.645 9.202 ( 8.300 3.924 7.479) 11.842 9.629 ( -7.901 2.844 -4.250) 9.412 9.709 ( -0.747 7.542 -9.173) 11.899 10.672 ( 4.740 11.563 1.765) 12.621 10.739 ( 0.870 6.337 -5.505) 8.439 11.388 ( 7.129 -1.971 -4.792) 8.814 12.097 ( 4.890 9.293 -4.690) 11.501 12.252 ( -1.207 -0.030 -0.827) 1.463 13.687 ( 3.251 -5.601 8.237) 10.478 14.205 ( 7.544 -8.260 -2.704) 11.509 14.933 ( -1.478 0.909 -1.274) 2.152 15.459 ( 2.998 11.265 1.556) 11.760 18.059 ( -9.358 2.140 1.643) 9.739 18.596 ( 6.814 5.125 3.922) 9.385 19.181 ( -1.856 3.101 -1.445) 3.892 20.089 ( -11.281 9.756 3.881) 15.411 ======================= Grid point 329 (146/324) ======================= q-point: (-0.14 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.361 ( -0.138 -3.474 -2.177) 4.102 1.508 ( -8.218 -4.348 -0.920) 9.343 1.691 ( 0.316 0.540 -0.732) 0.962 2.037 ( -1.520 -2.834 1.534) 3.563 2.238 ( -12.836 -7.214 4.447) 15.381 2.591 ( -1.093 -12.068 1.345) 12.192 2.815 ( -0.154 -4.905 -6.418) 8.079 3.135 ( 4.378 -9.239 -4.969) 11.367 3.289 ( 3.531 0.578 -0.264) 3.588 3.497 ( 1.876 -6.689 8.156) 10.714 3.593 ( 10.202 -4.731 5.294) 12.429 4.051 ( -10.393 -10.116 -14.033) 20.180 4.287 ( -6.114 -12.099 3.208) 13.930 4.547 ( 7.740 8.083 -4.963) 12.242 4.952 ( 1.450 -9.052 4.770) 10.334 5.254 ( 1.438 -16.663 3.607) 17.109 5.391 ( -4.007 -4.393 2.861) 6.599 5.759 ( 3.513 -11.708 -3.317) 12.666 6.856 ( -1.373 -3.884 3.578) 5.457 7.348 ( 4.259 -7.660 0.565) 8.783 7.436 ( 0.306 3.038 2.107) 3.709 8.059 ( -1.495 3.568 -2.822) 4.788 8.205 ( -3.419 -2.705 -5.965) 7.389 8.443 ( 5.790 -1.725 2.239) 6.443 8.771 ( -7.336 4.058 1.688) 8.552 8.916 ( 5.454 2.143 1.715) 6.106 9.184 ( 4.349 4.959 8.887) 11.067 9.531 ( 3.702 6.084 -8.493) 11.084 9.555 ( -10.093 -0.275 -4.764) 11.164 10.463 ( 0.196 13.379 5.111) 14.323 10.578 ( 1.848 8.736 -5.036) 10.252 11.490 ( 5.632 -3.717 -1.421) 6.896 11.924 ( 8.272 9.185 -5.030) 13.345 12.259 ( -1.123 -1.416 -1.264) 2.205 13.793 ( -0.088 -2.164 8.624) 8.892 14.372 ( 9.163 -5.799 -3.570) 11.416 14.887 ( -2.665 2.214 -1.570) 3.804 15.269 ( 3.439 10.815 1.133) 11.405 17.986 ( -7.628 1.245 0.531) 7.747 18.573 ( 6.847 2.081 1.608) 7.335 19.113 ( -0.929 2.858 -0.317) 3.022 19.863 ( -11.759 8.705 2.378) 14.822 ======================= Grid point 330 (147/324) ======================= q-point: (-0.07 -0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.422 ( 3.544 -2.595 -2.797) 5.207 1.543 ( -5.572 -3.157 0.165) 6.407 1.676 ( 0.137 0.806 -1.031) 1.316 2.073 ( -0.850 -1.350 0.789) 1.780 2.329 ( -8.500 -7.057 1.312) 11.126 2.830 ( -2.160 -11.434 -0.153) 11.637 2.907 ( 1.612 -7.503 -1.317) 7.786 3.228 ( 5.890 1.372 -4.121) 7.319 3.381 ( 1.674 -8.839 1.874) 9.189 3.609 ( -3.176 -3.437 8.425) 9.637 3.741 ( 9.968 -3.961 3.157) 11.181 3.943 ( -5.151 6.793 -15.604) 17.780 4.361 ( 1.443 10.826 0.025) 10.921 4.516 ( -1.416 -5.824 3.251) 6.819 5.131 ( -3.531 -11.053 1.385) 11.686 5.475 ( -2.732 -9.460 2.791) 10.235 5.635 ( 3.011 -14.364 3.889) 15.183 5.993 ( 1.934 -12.131 -4.975) 13.254 6.973 ( 2.984 -7.412 2.735) 8.445 7.423 ( 1.142 -0.677 1.101) 1.724 7.484 ( 3.348 -4.141 -0.596) 5.358 7.956 ( -3.033 5.337 -1.618) 6.348 8.205 ( -2.663 -0.430 -4.928) 5.618 8.501 ( 6.460 0.675 3.641) 7.445 8.655 ( -10.527 2.166 2.470) 11.028 8.916 ( 10.601 2.492 -1.194) 10.956 9.087 ( 1.496 8.482 3.157) 9.174 9.432 ( -3.221 1.133 -9.741) 10.322 9.586 ( -3.906 -5.877 5.228) 8.782 10.181 ( -4.986 15.427 -0.087) 16.213 10.454 ( 6.543 6.036 1.570) 9.040 11.472 ( 0.081 6.587 -0.505) 6.607 11.881 ( 10.529 -0.568 -5.019) 11.678 12.281 ( -0.487 -1.663 -1.022) 2.012 13.829 ( -1.746 -0.031 5.205) 5.490 14.494 ( 8.307 -3.129 -1.741) 9.046 14.822 ( -2.859 2.195 -2.057) 4.151 15.105 ( 2.476 8.484 1.376) 8.945 17.938 ( -5.283 0.375 -0.002) 5.296 18.591 ( 6.140 0.221 0.301) 6.151 19.065 ( 0.257 2.046 0.249) 2.077 19.666 ( -10.385 6.389 1.460) 12.280 ======================= Grid point 340 (148/324) ======================= q-point: (-0.36 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.228 ( -18.712 -0.000 0.984) 18.738 1.254 ( -18.771 -0.000 -6.629) 19.907 1.686 ( -0.687 -0.000 -1.751) 1.881 1.839 ( -2.013 -0.000 4.430) 4.866 2.112 ( 1.282 0.000 -3.469) 3.699 2.155 ( -8.458 -0.000 1.401) 8.573 2.256 ( -1.060 -0.000 4.809) 4.924 2.636 ( 3.297 0.000 7.940) 8.597 2.780 ( -9.965 -0.000 -8.457) 13.070 2.791 ( 9.933 0.000 -0.453) 9.944 2.995 ( -11.200 -0.000 -8.083) 13.812 3.445 ( -4.920 -0.000 -3.217) 5.879 3.645 ( -2.968 -0.000 -2.689) 4.005 4.249 ( 5.535 0.000 9.970) 11.404 4.563 ( 16.395 0.000 9.843) 19.123 4.747 ( 9.544 0.000 -4.869) 10.714 5.422 ( 6.479 0.000 14.284) 15.685 5.747 ( -8.085 -0.000 -11.436) 14.005 6.325 ( -2.457 -0.000 0.010) 2.457 6.929 ( 2.498 0.000 -1.041) 2.706 7.857 ( -9.756 -0.000 -0.275) 9.759 8.088 ( 2.123 0.000 -2.804) 3.517 8.215 ( -3.808 -0.000 1.804) 4.214 8.323 ( -6.105 -0.000 21.111) 21.976 8.591 ( -0.032 -0.000 -3.022) 3.022 9.234 ( 4.249 0.000 3.680) 5.621 9.268 ( 3.833 0.000 1.896) 4.276 9.849 ( -10.565 -0.000 -10.189) 14.678 9.895 ( -2.577 -0.000 0.084) 2.579 10.911 ( 1.275 0.000 -14.696) 14.752 11.238 ( 11.433 0.000 -2.606) 11.726 11.469 ( 15.626 0.000 -19.771) 25.201 12.302 ( 1.047 0.000 0.975) 1.431 12.624 ( -0.058 -0.000 -1.027) 1.029 12.813 ( 0.311 0.000 -16.371) 16.374 13.885 ( -4.373 -0.000 19.658) 20.138 14.919 ( 0.837 0.000 -3.390) 3.492 15.832 ( 1.037 0.000 3.458) 3.610 18.200 ( -10.154 -0.000 3.836) 10.854 18.850 ( 10.542 0.000 12.129) 16.070 19.312 ( -4.534 -0.000 -3.209) 5.555 20.522 ( -5.163 -0.000 9.532) 10.841 ======================= Grid point 341 (149/324) ======================= q-point: (-0.29 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.148 ( -19.315 -3.507 -3.126) 19.878 1.221 ( -18.956 -6.730 -2.527) 20.273 1.683 ( -0.765 -0.587 -1.616) 1.882 1.858 ( -1.595 -1.513 4.426) 4.942 2.040 ( -17.581 -0.244 5.446) 18.407 2.191 ( -0.427 -4.894 -1.309) 5.084 2.398 ( 5.263 -10.230 0.211) 11.507 2.727 ( -0.071 -4.022 -3.144) 5.106 2.825 ( -1.115 -12.356 6.079) 13.815 2.918 ( -11.362 -3.258 -10.566) 15.854 2.955 ( 4.941 -11.220 -2.063) 12.432 3.402 ( -0.040 2.113 -1.881) 2.829 3.723 ( -4.642 -9.970 -2.512) 11.281 4.341 ( 6.782 -3.136 11.076) 13.361 4.684 ( 14.598 -1.088 8.426) 16.890 4.768 ( 8.581 0.966 -5.671) 10.331 5.494 ( 6.075 0.497 12.859) 14.231 5.633 ( -8.721 3.206 -12.285) 15.403 6.425 ( -2.094 -10.571 0.596) 10.793 6.971 ( 2.343 -3.027 0.325) 3.842 7.778 ( -8.263 3.566 1.667) 9.153 8.077 ( -1.603 0.815 0.033) 1.799 8.141 ( -6.748 2.967 0.454) 7.385 8.374 ( 4.426 -0.463 9.742) 10.710 8.668 ( -0.975 -6.184 4.109) 7.489 9.206 ( -0.939 4.426 0.187) 4.528 9.298 ( 6.541 0.455 2.012) 6.859 9.713 ( -10.998 2.992 -3.719) 11.989 9.893 ( -2.656 0.420 -4.336) 5.102 10.837 ( 3.882 2.956 -17.858) 18.513 11.175 ( 10.194 10.964 -3.421) 15.357 11.462 ( 11.780 2.603 -14.087) 18.547 12.293 ( 0.128 3.140 -0.809) 3.245 12.372 ( -2.953 8.334 -1.670) 8.998 13.167 ( 8.102 -23.952 -12.071) 28.018 13.952 ( -1.560 -2.694 16.600) 16.890 14.922 ( 0.292 -0.877 -2.115) 2.308 15.798 ( 1.714 5.299 2.981) 6.317 18.145 ( -9.717 1.666 3.544) 10.477 18.866 ( 6.847 6.757 10.400) 14.167 19.270 ( -2.250 1.348 -2.797) 3.835 20.449 ( -8.010 7.728 10.559) 15.342 ======================= Grid point 342 (150/324) ======================= q-point: (-0.21 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.155 ( -14.398 -7.232 -2.425) 16.294 1.262 ( -16.528 -7.945 -1.753) 18.422 1.688 ( -0.485 -0.697 -1.078) 1.373 1.905 ( -1.676 -2.881 4.319) 5.456 2.016 ( -16.540 -4.239 6.632) 18.317 2.282 ( -0.442 -5.293 -1.368) 5.485 2.606 ( 2.857 -7.528 -5.207) 9.589 2.828 ( 2.865 -6.489 -4.581) 8.444 3.009 ( -12.207 -19.625 -5.376) 23.729 3.132 ( 1.825 -15.132 8.853) 17.626 3.249 ( 5.806 -15.810 -0.564) 16.852 3.367 ( 1.154 0.820 -2.307) 2.707 3.905 ( -6.247 -12.219 -3.321) 14.119 4.523 ( 8.424 -8.821 8.514) 14.875 4.764 ( 6.377 2.128 -1.824) 6.966 4.814 ( 10.670 -4.122 3.344) 11.918 5.473 ( -8.762 4.497 -9.075) 13.392 5.552 ( 4.847 -0.094 7.427) 8.869 6.627 ( -3.582 -10.188 1.735) 10.938 7.068 ( 3.279 -5.637 1.910) 6.795 7.656 ( -4.069 6.394 3.854) 8.503 8.077 ( -4.510 0.176 -6.226) 7.690 8.081 ( -4.929 -3.438 2.257) 6.420 8.429 ( 8.771 0.628 2.755) 9.215 8.778 ( 1.377 -3.036 6.397) 7.214 9.076 ( -5.128 6.613 -0.886) 8.415 9.321 ( 8.165 1.850 1.960) 8.598 9.607 ( -11.679 2.054 -2.036) 12.032 9.813 ( -0.755 5.157 -6.404) 8.256 10.769 ( 6.103 1.423 -13.972) 15.313 10.967 ( 4.247 13.583 1.890) 14.356 11.425 ( 9.926 2.542 -7.660) 12.793 12.200 ( -0.455 3.039 -3.866) 4.939 12.289 ( 0.334 3.689 -1.048) 3.850 13.567 ( 10.215 -14.068 -2.151) 17.518 14.083 ( 3.737 -6.958 5.955) 9.891 14.930 ( -0.264 -0.189 -1.441) 1.478 15.677 ( 2.571 9.261 2.127) 9.844 18.063 ( -9.315 2.636 2.468) 9.990 18.768 ( 3.712 8.084 6.418) 10.969 19.221 ( -0.493 2.493 -1.537) 2.970 20.235 ( -13.541 11.044 7.764) 19.121 ======================= Grid point 343 (151/324) ======================= q-point: (-0.14 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.242 ( -4.992 -7.762 -2.667) 9.606 1.336 ( -11.818 -7.920 -0.948) 14.258 1.693 ( -0.256 -0.209 -0.742) 0.813 1.972 ( -2.015 -3.635 3.502) 5.435 2.057 ( -14.344 -6.144 6.446) 16.883 2.392 ( -2.771 -8.242 -0.382) 8.704 2.690 ( -0.361 -5.073 -9.139) 10.459 2.983 ( 6.337 -8.257 -1.301) 10.489 3.306 ( 2.263 -3.162 -1.186) 4.065 3.408 ( 9.903 -9.283 6.061) 14.866 3.472 ( -6.332 -18.215 4.022) 19.699 3.568 ( -3.995 -18.698 -3.987) 19.531 4.072 ( -5.607 -9.918 -5.577) 12.685 4.686 ( 8.560 3.381 -5.319) 10.630 4.828 ( 4.618 -8.992 9.021) 13.548 4.999 ( 4.714 -11.082 4.098) 12.721 5.344 ( -6.884 1.283 -4.975) 8.590 5.617 ( 2.737 -3.770 2.070) 5.098 6.764 ( -3.866 -6.204 3.211) 7.984 7.226 ( 4.358 -7.787 1.150) 8.998 7.537 ( 0.213 6.213 4.457) 7.649 8.046 ( -5.585 -1.791 -5.404) 7.976 8.138 ( -1.142 -2.344 -1.199) 2.870 8.460 ( 7.193 0.532 0.052) 7.213 8.807 ( -3.116 2.223 1.598) 4.148 8.969 ( -1.118 1.697 5.153) 5.539 9.320 ( 7.281 3.619 2.570) 8.527 9.496 ( -10.322 1.690 -4.150) 11.253 9.662 ( 1.278 8.102 -7.932) 11.410 10.699 ( -0.822 7.326 -6.608) 9.900 10.749 ( 4.928 11.331 5.403) 13.486 11.464 ( 12.794 -2.417 -3.563) 13.499 12.108 ( 3.896 7.237 -6.358) 10.391 12.233 ( -1.658 0.437 -0.756) 1.874 13.776 ( 3.631 -4.048 8.033) 9.700 14.274 ( 9.143 -8.384 -3.136) 12.795 14.907 ( -1.183 1.656 -2.279) 3.056 15.502 ( 3.227 11.165 1.456) 11.712 17.976 ( -8.223 2.006 0.936) 8.516 18.677 ( 4.281 4.935 3.111) 7.236 19.164 ( 0.030 2.959 -0.288) 2.973 19.976 ( -15.770 9.915 4.556) 19.177 ======================= Grid point 344 (152/324) ======================= q-point: (-0.07 -0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.358 ( 3.010 -5.510 -3.511) 7.193 1.420 ( -7.748 -6.411 -0.373) 10.064 1.687 ( -0.231 0.497 -0.737) 0.919 2.033 ( -1.381 -2.750 1.582) 3.460 2.137 ( -12.848 -7.849 5.596) 16.062 2.576 ( -2.912 -12.650 0.860) 13.009 2.773 ( 0.900 -6.560 -6.553) 9.316 3.174 ( 6.429 -8.239 -1.970) 10.635 3.319 ( 3.015 0.163 -1.125) 3.222 3.580 ( 0.714 -3.415 12.311) 12.796 3.712 ( 7.745 -5.551 0.541) 9.544 3.865 ( -6.490 -11.466 -13.702) 19.009 4.235 ( -6.386 -14.980 1.117) 16.322 4.576 ( 3.246 9.006 -2.074) 9.795 5.016 ( 4.160 -4.925 4.363) 7.785 5.267 ( -3.320 -11.504 2.054) 12.148 5.395 ( 1.593 -11.712 3.683) 12.381 5.758 ( 0.976 -10.510 -3.993) 11.285 6.873 ( -0.005 -5.965 3.725) 7.033 7.381 ( 1.965 -5.667 -0.140) 5.999 7.471 ( 3.231 2.148 2.971) 4.887 8.035 ( -1.314 1.472 -2.096) 2.878 8.128 ( -3.057 -0.506 -5.146) 6.007 8.505 ( 2.138 -2.504 0.724) 3.371 8.707 ( -4.676 5.183 1.339) 7.108 8.996 ( 5.993 0.349 4.417) 7.453 9.258 ( 1.549 6.643 2.727) 7.346 9.420 ( -8.151 2.020 -4.223) 9.400 9.526 ( 3.100 2.051 -5.515) 6.651 10.442 ( -4.548 14.624 -1.911) 15.433 10.627 ( 5.911 7.736 4.296) 10.642 11.558 ( 8.327 0.568 -0.282) 8.351 11.971 ( 7.686 6.107 -6.327) 11.679 12.240 ( -0.932 -1.784 -1.465) 2.490 13.840 ( -1.078 -0.076 7.793) 7.867 14.449 ( 9.411 -5.910 -2.830) 11.468 14.847 ( -1.929 2.679 -3.397) 4.737 15.311 ( 3.029 11.005 1.311) 11.489 17.915 ( -6.336 0.594 -0.131) 6.365 18.646 ( 5.605 2.008 1.059) 6.047 19.113 ( 1.024 2.627 0.512) 2.865 19.740 ( -14.958 7.719 2.549) 17.024 ======================= Grid point 355 (153/324) ======================= q-point: (-0.29 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.997 ( -21.563 -0.000 -7.621) 22.871 1.023 ( -22.169 -0.000 1.580) 22.225 1.663 ( -1.311 -0.000 -2.204) 2.565 1.838 ( -8.441 -0.000 2.646) 8.846 1.941 ( -28.178 -0.000 12.187) 30.701 2.103 ( 0.299 0.000 -1.679) 1.705 2.344 ( 6.172 0.000 -1.975) 6.480 2.663 ( -6.503 -0.000 -3.133) 7.218 2.733 ( 5.320 0.000 7.771) 9.417 2.792 ( -7.696 -0.000 -13.307) 15.372 2.887 ( 10.357 0.000 -2.621) 10.684 3.435 ( 1.494 0.000 0.330) 1.531 3.593 ( -4.129 -0.000 -2.044) 4.608 4.392 ( 7.978 0.000 13.022) 15.271 4.768 ( 12.842 0.000 -1.543) 12.935 4.817 ( 9.573 0.000 4.498) 10.577 5.572 ( -1.434 -0.000 -3.630) 3.903 5.576 ( -2.566 -0.000 2.568) 3.630 6.297 ( -2.896 -0.000 -0.044) 2.896 6.952 ( 2.956 0.000 -0.868) 3.081 7.769 ( -8.232 -0.000 1.724) 8.411 8.099 ( 3.089 0.000 -1.972) 3.665 8.177 ( -4.907 -0.000 0.936) 4.995 8.414 ( -5.668 -0.000 27.271) 27.854 8.580 ( 0.458 0.000 -1.420) 1.492 9.250 ( -1.689 -0.000 -2.731) 3.212 9.323 ( 4.880 0.000 1.117) 5.006 9.669 ( -11.360 -0.000 -9.507) 14.813 9.863 ( -3.664 -0.000 0.058) 3.664 10.817 ( 2.093 0.000 -21.653) 21.754 11.348 ( 16.371 0.000 -9.609) 18.983 11.510 ( 14.209 0.000 -16.321) 21.639 12.319 ( 1.185 0.000 0.726) 1.390 12.618 ( 0.019 0.000 -0.783) 0.784 12.685 ( -4.944 -0.000 -16.715) 17.431 13.982 ( -0.797 -0.000 18.676) 18.693 14.910 ( 0.477 0.000 -0.557) 0.733 15.867 ( 1.678 0.000 3.104) 3.528 18.126 ( -8.792 -0.000 3.665) 9.526 18.996 ( 1.234 0.000 9.838) 9.915 19.278 ( 3.798 0.000 -1.598) 4.121 20.551 ( -4.783 -0.000 17.631) 18.268 ======================= Grid point 356 (154/324) ======================= q-point: (-0.21 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.913 ( -20.701 -6.139 -4.317) 22.019 1.006 ( -21.210 -8.115 0.802) 22.723 1.661 ( -1.232 -1.097 -1.897) 2.514 1.813 ( -23.669 -7.028 5.162) 25.224 1.899 ( -7.583 -0.508 9.701) 12.324 2.166 ( -1.661 -5.694 -1.200) 6.052 2.422 ( -2.302 -9.390 -4.178) 10.532 2.637 ( -11.041 -3.886 -8.370) 14.390 2.779 ( 5.882 -2.760 -3.458) 7.360 2.910 ( 5.077 -12.284 7.575) 15.299 3.033 ( 9.674 -10.121 -3.179) 14.357 3.414 ( 2.008 2.387 -0.424) 3.148 3.657 ( -5.519 -8.983 -1.574) 10.660 4.494 ( 8.127 -2.372 12.557) 15.144 4.789 ( 7.950 0.583 -10.620) 13.279 4.891 ( 10.801 1.211 11.545) 15.856 5.452 ( -10.068 2.462 -14.032) 17.445 5.627 ( 4.769 1.336 10.978) 12.044 6.407 ( -2.007 -10.955 0.452) 11.147 7.000 ( 2.858 -3.535 0.266) 4.554 7.720 ( -6.247 1.801 3.466) 7.367 8.051 ( -8.060 3.773 5.230) 10.322 8.083 ( -0.383 3.433 -4.407) 5.599 8.488 ( 5.095 -0.340 9.318) 10.625 8.712 ( 1.603 -8.381 10.195) 13.294 9.168 ( -4.021 5.483 -3.611) 7.699 9.364 ( 5.684 -0.802 -1.112) 5.847 9.573 ( -11.021 1.030 -2.399) 11.326 9.839 ( -3.544 0.905 -3.416) 5.005 10.751 ( 4.433 -0.195 -23.461) 23.877 11.249 ( 10.134 12.817 -8.279) 18.317 11.508 ( 11.790 2.529 -9.772) 15.521 12.265 ( -3.938 7.186 -2.074) 8.452 12.340 ( -1.256 2.849 -1.021) 3.277 13.181 ( 10.434 -30.024 -13.650) 34.592 14.051 ( 0.695 -1.712 15.153) 15.265 14.922 ( 1.042 -0.474 0.979) 1.506 15.835 ( 1.931 5.220 2.657) 6.167 18.073 ( -8.258 2.104 3.088) 9.064 18.943 ( -3.247 6.535 6.578) 9.824 19.280 ( 6.688 3.030 -0.091) 7.343 20.437 ( -11.200 13.548 17.116) 24.534 ======================= Grid point 357 (155/324) ======================= q-point: (-0.14 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.990 ( -13.511 -12.022 -3.054) 18.341 1.095 ( -14.988 -10.607 1.934) 18.463 1.674 ( -0.768 -1.187 -1.163) 1.831 1.878 ( -17.889 -7.859 7.022) 20.763 1.919 ( -2.664 -1.893 5.444) 6.350 2.245 ( -3.880 -5.213 -2.177) 6.853 2.575 ( 1.219 -4.530 -9.279) 10.398 2.786 ( -16.346 -24.928 -2.351) 29.902 2.910 ( 8.433 -7.763 0.573) 11.477 3.242 ( 5.330 -15.128 9.768) 18.780 3.302 ( 5.352 -12.962 -2.138) 14.185 3.390 ( 5.437 0.175 -3.415) 6.423 3.821 ( -6.197 -11.382 -2.472) 13.193 4.661 ( 8.278 -7.163 6.877) 12.928 4.786 ( 5.077 -0.495 -7.994) 9.483 4.954 ( 7.300 0.108 9.941) 12.334 5.309 ( -8.956 2.214 -12.009) 15.143 5.643 ( 2.875 1.966 7.628) 8.385 6.599 ( -3.564 -9.614 1.080) 10.310 7.114 ( 3.369 -6.471 1.329) 7.415 7.663 ( -1.078 3.994 6.252) 7.497 7.987 ( -5.403 2.116 -5.896) 8.272 8.050 ( -4.286 -4.611 3.337) 7.125 8.531 ( 7.873 1.455 1.380) 8.124 8.841 ( 2.986 0.398 3.265) 4.443 9.022 ( -4.013 4.476 3.020) 6.728 9.391 ( 4.728 0.827 -4.035) 6.270 9.485 ( -8.499 2.562 0.627) 8.899 9.763 ( -2.063 4.165 -5.023) 6.843 10.740 ( 4.883 -0.388 -13.239) 14.116 11.018 ( 2.960 12.968 2.336) 13.505 11.510 ( 14.932 0.715 -6.226) 16.194 12.167 ( -0.664 1.752 -4.444) 4.823 12.276 ( -1.444 3.935 -1.663) 4.510 13.666 ( 12.532 -15.507 -4.028) 20.341 14.164 ( 4.998 -5.973 4.877) 9.190 14.926 ( 1.007 1.132 -0.747) 1.689 15.716 ( 2.443 9.074 1.905) 9.588 17.986 ( -8.004 3.046 1.678) 8.727 18.811 ( -1.638 6.728 4.120) 8.057 19.236 ( 4.058 4.159 0.618) 5.844 20.119 ( -20.166 13.645 9.796) 26.245 ======================= Grid point 358 (156/324) ======================= q-point: (-0.07 -0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.173 ( -5.087 -12.660 -3.526) 14.092 1.240 ( -5.757 -9.183 1.371) 10.925 1.684 ( -0.447 -0.408 -0.767) 0.977 1.946 ( -14.342 -6.049 8.894) 17.927 1.977 ( -2.169 -3.970 1.236) 4.690 2.349 ( -3.988 -9.263 -1.098) 10.144 2.639 ( 1.726 -5.537 -8.418) 10.223 3.057 ( 6.418 -7.852 1.905) 10.319 3.284 ( -7.897 -20.722 -0.935) 22.196 3.374 ( -4.569 -7.904 -0.494) 9.143 3.557 ( 10.095 -9.719 7.389) 15.841 3.584 ( 4.456 -11.323 -2.873) 12.503 3.986 ( -4.333 -10.161 -4.952) 12.105 4.721 ( 4.872 4.202 -5.048) 8.178 4.929 ( 4.645 -8.798 6.406) 11.833 5.063 ( 0.791 -7.682 4.543) 8.960 5.251 ( -3.031 -4.185 -5.098) 7.258 5.648 ( 0.462 -0.732 2.362) 2.516 6.747 ( -2.782 -7.896 2.238) 8.666 7.270 ( 2.973 -7.259 0.832) 7.889 7.588 ( 2.879 6.328 6.093) 9.245 7.937 ( -8.364 -3.160 -5.808) 10.662 8.145 ( 2.443 -2.883 1.164) 3.954 8.501 ( 2.303 3.568 -4.214) 5.982 8.773 ( -2.808 3.458 1.378) 4.663 9.032 ( 3.479 -0.680 8.346) 9.068 9.314 ( -6.009 2.839 -7.427) 9.966 9.447 ( 2.677 2.051 3.031) 4.534 9.630 ( 0.393 7.399 -5.079) 8.983 10.642 ( -1.794 9.083 -7.000) 11.607 10.834 ( 3.719 9.698 7.028) 12.541 11.606 ( 17.609 -1.883 -1.876) 17.808 12.095 ( 1.993 5.489 -7.572) 9.562 12.208 ( -2.219 0.222 -0.793) 2.367 13.858 ( 2.566 -1.763 7.388) 8.017 14.350 ( 9.212 -8.415 -3.174) 12.874 14.881 ( 0.179 2.839 -4.274) 5.134 15.542 ( 2.689 11.067 1.489) 11.486 17.902 ( -6.600 1.807 0.049) 6.843 18.725 ( 2.136 3.498 1.846) 4.495 19.183 ( 3.052 3.580 1.381) 4.903 19.820 ( -20.102 9.336 4.740) 22.665 ======================= Grid point 370 (157/324) ======================= q-point: (-0.21 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.727 ( -22.883 -0.000 -3.906) 23.214 0.796 ( -24.360 -0.000 3.490) 24.609 1.550 ( -43.086 -0.000 11.079) 44.488 1.634 ( -1.359 -0.000 -2.606) 2.939 1.907 ( -2.656 -0.000 8.311) 8.725 2.097 ( 0.051 0.000 -0.773) 0.775 2.291 ( -8.719 -0.000 -7.636) 11.590 2.551 ( -3.784 -0.000 -10.780) 11.425 2.799 ( 11.605 0.000 1.867) 11.754 2.830 ( 4.460 0.000 5.674) 7.217 2.976 ( 10.963 0.000 -3.414) 11.482 3.448 ( 0.134 0.000 0.461) 0.480 3.536 ( -5.167 -0.000 -0.602) 5.202 4.567 ( 8.856 0.000 12.867) 15.620 4.814 ( 8.081 0.000 -9.023) 12.113 5.001 ( 11.086 0.000 11.788) 16.182 5.376 ( -10.443 -0.000 -14.646) 17.988 5.699 ( 3.700 0.000 10.732) 11.352 6.267 ( -2.758 -0.000 -0.075) 2.759 6.978 ( 2.914 0.000 -0.596) 2.974 7.705 ( -6.642 -0.000 2.132) 6.975 8.126 ( 3.564 0.000 -0.924) 3.682 8.130 ( -4.679 -0.000 0.178) 4.682 8.557 ( -3.375 -0.000 34.495) 34.660 8.579 ( 0.280 0.000 -0.062) 0.287 9.179 ( -4.726 -0.000 -6.746) 8.237 9.382 ( 5.529 0.000 0.421) 5.545 9.509 ( -9.638 -0.000 -6.021) 11.364 9.821 ( -4.450 -0.000 -0.015) 4.450 10.657 ( 0.876 0.000 -37.733) 37.743 11.416 ( 16.439 0.000 -26.544) 31.222 11.568 ( 9.403 0.000 -3.063) 9.889 12.334 ( 1.089 0.000 0.281) 1.125 12.503 ( -11.003 -0.000 -13.639) 17.524 12.615 ( 0.097 0.000 -0.337) 0.351 14.089 ( 0.195 0.000 14.764) 14.766 14.940 ( 3.189 0.000 6.207) 6.978 15.903 ( 1.482 0.000 2.918) 3.273 18.066 ( -6.728 -0.000 3.057) 7.390 18.986 ( -8.531 -0.000 3.719) 9.306 19.379 ( 12.871 0.000 0.570) 12.884 20.668 ( 0.326 0.000 28.472) 28.474 ======================= Grid point 371 (158/324) ======================= q-point: (-0.14 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.686 ( -19.614 -9.144 0.371) 21.644 0.802 ( -20.900 -10.820 4.716) 24.003 1.542 ( -35.021 -15.601 12.214) 40.238 1.638 ( -1.054 -1.946 -2.456) 3.306 1.910 ( -2.426 0.368 5.588) 6.103 2.144 ( -1.552 -3.445 -1.251) 3.980 2.300 ( -10.544 -11.397 -6.226) 16.728 2.517 ( -0.856 -1.432 -9.780) 9.922 2.892 ( 12.033 -2.516 3.152) 12.691 2.997 ( 3.567 -12.564 4.194) 13.717 3.119 ( 10.688 -9.399 -1.772) 14.343 3.424 ( 0.253 1.726 -0.262) 1.764 3.592 ( -6.036 -8.297 0.163) 10.261 4.651 ( 7.023 -1.520 9.227) 11.695 4.785 ( 5.219 2.409 -11.084) 12.486 5.067 ( 8.868 2.329 11.437) 14.659 5.259 ( -9.708 1.796 -12.906) 16.249 5.726 ( 2.181 2.016 8.771) 9.260 6.391 ( -1.211 -10.726 -0.261) 10.797 7.031 ( 2.679 -4.045 0.284) 4.860 7.686 ( -4.811 -0.554 2.935) 5.663 7.980 ( -9.032 3.624 2.011) 9.937 8.077 ( 0.509 6.149 0.594) 6.198 8.578 ( 3.910 -0.574 3.701) 5.414 8.845 ( 8.317 -6.967 14.505) 18.114 9.101 ( -3.644 4.309 -1.914) 5.959 9.394 ( 2.397 -0.265 -3.471) 4.226 9.488 ( -5.267 -0.350 4.570) 6.982 9.767 ( -5.226 1.319 -5.870) 7.969 10.628 ( 4.936 -8.379 -30.534) 32.045 11.267 ( 4.664 11.563 -10.274) 16.156 11.580 ( 10.975 1.435 -5.354) 12.295 12.200 ( -5.243 5.485 -2.192) 7.898 12.324 ( -0.935 2.455 -0.913) 2.781 13.216 ( 14.572 -36.545 -15.940) 42.450 14.143 ( 0.782 -1.489 10.456) 10.591 14.974 ( 5.053 1.798 7.311) 9.068 15.869 ( 1.434 5.136 2.498) 5.888 18.013 ( -6.452 2.903 2.220) 7.415 18.907 ( -7.572 4.272 3.018) 9.203 19.379 ( 10.295 6.015 0.461) 11.932 20.418 ( -18.417 26.100 22.126) 38.858 ======================= Grid point 372 (159/324) ======================= q-point: (-0.07 -0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.855 ( -10.125 -15.348 0.829) 18.406 0.988 ( -9.324 -14.442 4.489) 17.766 1.658 ( -1.682 -2.081 -0.383) 2.704 1.733 ( -18.937 -12.025 8.894) 24.131 1.917 ( -2.638 -1.681 1.843) 3.631 2.190 ( -3.267 -4.895 -2.199) 6.282 2.535 ( 2.182 -4.043 -8.175) 9.377 2.622 ( -11.871 -27.545 -0.726) 30.003 3.028 ( 10.190 -4.672 2.880) 11.574 3.309 ( 1.391 -16.548 -0.901) 16.630 3.348 ( 0.587 -4.511 4.998) 6.758 3.447 ( 10.547 -7.432 -1.895) 13.041 3.751 ( -5.404 -10.883 -0.653) 12.169 4.741 ( 4.871 -0.136 -8.759) 10.023 4.793 ( 3.585 -7.782 -1.315) 8.668 5.075 ( -0.398 3.785 11.668) 12.273 5.167 ( -1.388 -0.964 -7.689) 7.872 5.703 ( 0.212 3.401 5.901) 6.814 6.569 ( -2.946 -9.447 0.004) 9.895 7.152 ( 2.400 -6.801 1.143) 7.303 7.699 ( -0.108 -0.522 5.134) 5.161 7.896 ( -5.176 6.551 -4.468) 9.469 8.036 ( -3.273 -6.549 4.177) 8.429 8.601 ( 6.119 2.849 -2.185) 7.094 8.845 ( -0.913 6.333 -2.414) 6.838 9.071 ( 3.666 0.177 8.515) 9.272 9.330 ( -8.274 4.844 -1.840) 9.763 9.487 ( 5.544 -0.509 -2.117) 5.956 9.714 ( -2.768 2.435 -1.130) 3.856 10.707 ( 4.643 -0.293 -12.240) 13.094 11.060 ( 1.422 10.446 4.370) 11.412 11.648 ( 18.497 -2.828 -5.797) 19.589 12.134 ( 0.147 1.070 -4.980) 5.095 12.237 ( -4.087 4.519 -1.258) 6.222 13.770 ( 13.175 -15.332 -5.818) 21.036 14.240 ( 5.250 -5.877 2.161) 8.171 14.946 ( 3.273 4.684 0.103) 5.715 15.750 ( 1.696 8.849 1.860) 9.200 17.918 ( -6.539 3.407 0.668) 7.404 18.802 ( -2.969 3.987 2.248) 5.456 19.302 ( 6.122 6.191 2.428) 9.039 19.932 ( -28.288 14.629 10.057) 33.397 ======================= Grid point 385 (160/324) ======================= q-point: (-0.14 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.501 ( -21.386 -0.000 8.112) 22.873 0.573 ( -24.910 -0.000 7.590) 26.041 1.166 ( -47.775 -0.000 19.085) 51.446 1.604 ( -0.741 -0.000 -3.097) 3.184 1.924 ( -2.980 -0.000 3.773) 4.807 2.094 ( -0.064 -0.000 -0.424) 0.429 2.145 ( -6.995 -0.000 -7.128) 9.987 2.475 ( 0.562 0.000 -8.696) 8.714 2.883 ( 2.139 0.000 -0.148) 2.144 2.960 ( 12.999 0.000 5.631) 14.166 3.077 ( 11.162 0.000 -0.878) 11.197 3.439 ( -2.227 -0.000 0.264) 2.243 3.480 ( -5.903 -0.000 1.503) 6.091 4.671 ( 3.279 0.000 -5.593) 6.483 4.883 ( 11.149 0.000 0.669) 11.169 5.165 ( 7.379 0.000 -3.534) 8.182 5.211 ( -5.094 -0.000 5.521) 7.512 5.783 ( 0.644 0.000 8.685) 8.709 6.241 ( -2.115 -0.000 -0.075) 2.117 7.003 ( 2.417 0.000 -0.254) 2.430 7.654 ( -5.260 -0.000 0.928) 5.341 8.086 ( -3.595 -0.000 -0.304) 3.608 8.130 ( -1.232 -0.000 -6.812) 6.923 8.583 ( -0.038 -0.000 0.772) 0.773 8.818 ( 9.941 0.000 41.309) 42.488 9.112 ( -1.298 -0.000 -0.302) 1.333 9.402 ( -6.502 -0.000 1.113) 6.597 9.441 ( 5.546 0.000 -0.062) 5.546 9.773 ( -4.732 -0.000 -0.145) 4.734 10.281 ( -17.041 -0.000 -61.446) 63.765 11.352 ( 3.329 0.000 -22.537) 22.782 11.650 ( 7.123 0.000 -0.038) 7.123 12.315 ( -12.380 -0.000 -4.384) 13.134 12.344 ( 0.788 0.000 -0.259) 0.829 12.616 ( 0.160 0.000 0.212) 0.265 14.155 ( -0.934 -0.000 6.992) 7.054 15.088 ( 12.590 0.000 17.389) 21.469 15.933 ( 0.745 0.000 2.843) 2.939 18.026 ( -3.889 -0.000 1.663) 4.230 18.912 ( -8.111 -0.000 2.076) 8.372 19.498 ( 10.744 0.000 -2.937) 11.138 20.904 ( 9.978 0.000 20.911) 23.169 ======================= Grid point 386 (161/324) ======================= q-point: (-0.07 -0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.543 ( -13.558 -11.632 11.142) 21.054 0.654 ( -15.269 -15.318 9.729) 23.716 1.270 ( -34.197 -23.447 17.975) 45.191 1.616 ( -0.066 -2.204 -2.926) 3.664 1.894 ( -3.945 0.568 -1.596) 4.294 2.115 ( -1.798 -1.441 -0.731) 2.417 2.202 ( -2.893 -11.712 -1.428) 12.149 2.473 ( 2.257 -1.809 -7.288) 7.841 2.995 ( 3.060 -8.965 -1.762) 9.635 3.066 ( 8.081 -4.602 4.011) 10.128 3.228 ( 8.997 -8.950 2.096) 12.862 3.418 ( -0.624 0.003 0.165) 0.646 3.538 ( -5.756 -8.028 2.427) 10.172 4.674 ( 0.041 -2.960 -14.455) 14.755 4.794 ( 2.797 6.290 -3.510) 7.727 5.123 ( -5.365 1.936 -1.723) 5.959 5.221 ( 7.132 2.985 11.620) 13.958 5.780 ( -1.206 2.546 6.449) 7.037 6.376 ( -0.507 -9.505 -1.933) 9.713 7.057 ( 1.923 -4.346 0.491) 4.777 7.650 ( -4.243 -2.123 0.218) 4.750 7.895 ( -8.836 0.409 0.237) 8.848 8.093 ( 0.381 7.654 3.038) 8.244 8.615 ( 1.322 -2.465 -0.426) 2.830 8.965 ( 4.207 5.180 -5.415) 8.594 9.123 ( 4.418 0.552 5.638) 7.184 9.412 ( -4.227 5.943 8.747) 11.388 9.482 ( 1.378 -0.182 -3.555) 3.817 9.685 ( -1.462 -3.339 0.864) 3.746 10.522 ( 14.025 -23.398 -24.237) 36.491 11.238 ( -0.206 6.567 -3.151) 7.287 11.655 ( 9.229 -0.922 -4.664) 10.381 12.144 ( -2.701 2.766 -1.938) 4.324 12.308 ( -1.206 4.154 -0.590) 4.366 13.284 ( 20.105 -42.030 -19.656) 50.567 14.192 ( 0.487 -2.649 3.569) 4.472 15.132 ( 12.038 9.008 13.919) 20.489 15.895 ( 0.435 5.038 2.354) 5.577 17.965 ( -5.048 4.243 0.774) 6.640 18.851 ( -5.813 2.758 2.122) 6.775 19.476 ( 8.660 6.244 -1.033) 10.726 20.260 ( -40.430 39.901 16.976) 59.287 ======================= Grid point 400 (162/324) ======================= q-point: (-0.07 -0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.402 ( -20.028 -0.000 15.078) 25.069 0.423 ( -13.098 -0.000 22.305) 25.866 0.853 ( -40.080 -0.000 32.884) 51.843 1.581 ( 0.411 0.000 -3.707) 3.729 1.864 ( -5.108 -0.000 -7.432) 9.018 2.090 ( -0.186 -0.000 -0.394) 0.436 2.105 ( 0.950 0.000 3.243) 3.379 2.448 ( 3.362 0.000 -6.007) 6.884 2.876 ( -0.083 -0.000 -4.765) 4.765 3.112 ( 7.186 0.000 6.908) 9.968 3.185 ( 9.301 0.000 0.428) 9.311 3.414 ( -2.336 -0.000 1.074) 2.571 3.436 ( -5.623 -0.000 3.925) 6.858 4.586 ( -2.236 -0.000 -20.129) 20.253 4.900 ( -0.087 -0.000 -17.818) 17.818 5.188 ( 4.208 0.000 4.987) 6.525 5.333 ( 5.247 0.000 11.252) 12.415 5.820 ( -3.204 -0.000 6.597) 7.334 6.223 ( -1.102 -0.000 -0.052) 1.103 7.023 ( 1.530 0.000 0.095) 1.533 7.605 ( -4.197 -0.000 -1.338) 4.405 7.954 ( -19.296 -0.000 -13.784) 23.714 8.054 ( -2.036 -0.000 -0.609) 2.126 8.588 ( -0.133 -0.000 1.228) 1.235 8.959 ( -16.321 -0.000 -27.383) 31.879 9.165 ( 6.079 0.000 2.285) 6.494 9.492 ( 4.174 0.000 -0.320) 4.186 9.507 ( -17.329 -0.000 7.157) 18.749 9.726 ( -3.789 -0.000 -0.332) 3.803 9.946 ( 50.413 0.000 42.749) 66.098 11.270 ( 0.304 0.000 -2.592) 2.609 11.699 ( 3.299 0.000 -2.221) 3.977 12.221 ( -4.756 -0.000 3.820) 6.100 12.347 ( 0.352 0.000 -0.742) 0.821 12.620 ( 0.187 0.000 0.709) 0.733 14.171 ( 0.520 0.000 0.849) 0.996 15.425 ( 28.460 0.000 17.280) 33.296 15.951 ( -0.628 -0.000 2.427) 2.507 18.001 ( -1.703 -0.000 -1.895) 2.547 18.856 ( -4.937 -0.000 1.930) 5.301 19.567 ( 7.291 0.000 -3.215) 7.968 20.803 ( -42.585 -0.000 -38.551) 57.442 ======================= Grid point 401 (163/324) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.745 ( -3.208 -0.000 16.867) 17.170 0.849 ( -8.972 -0.000 20.868) 22.715 1.441 ( 2.889 0.000 -8.527) 9.003 1.530 ( 2.527 0.000 -11.347) 11.625 1.582 ( -8.433 -0.000 27.891) 29.138 2.073 ( -0.364 -0.000 -0.521) 0.636 2.168 ( 2.520 0.000 -5.309) 5.877 2.560 ( 12.039 0.000 13.084) 17.780 2.710 ( -1.609 -0.000 -4.758) 5.023 3.247 ( 1.021 0.000 -0.147) 1.032 3.326 ( -11.440 -0.000 10.194) 15.323 3.486 ( 7.047 0.000 -2.233) 7.393 3.533 ( -0.106 -0.000 4.140) 4.141 3.866 ( -0.812 -0.000 -25.820) 25.833 4.390 ( -3.698 -0.000 -15.958) 16.381 5.317 ( -1.345 -0.000 4.275) 4.482 5.633 ( 4.810 0.000 4.849) 6.830 5.889 ( -6.899 -0.000 4.893) 8.458 6.217 ( 0.097 0.000 -0.023) 0.100 7.043 ( 0.368 0.000 0.365) 0.519 7.501 ( -2.624 -0.000 -2.155) 3.395 7.712 ( -3.205 -0.000 -1.744) 3.648 8.020 ( -0.255 -0.000 -0.767) 0.809 8.425 ( -8.398 -0.000 -3.311) 9.027 8.628 ( 0.078 0.000 1.484) 1.486 9.165 ( 4.742 0.000 -5.053) 6.929 9.503 ( -0.229 -0.000 -0.468) 0.521 9.690 ( 0.030 0.000 -0.525) 0.526 9.906 ( -4.533 -0.000 24.361) 24.779 10.737 ( 22.790 0.000 -10.709) 25.180 11.347 ( 8.666 0.000 -4.522) 9.774 11.595 ( -0.236 -0.000 -5.120) 5.125 12.322 ( -0.112 -0.000 -0.915) 0.921 12.472 ( 8.765 0.000 6.538) 10.935 12.648 ( 0.148 0.000 0.894) 0.906 14.164 ( 4.877 0.000 -2.024) 5.281 15.696 ( -2.680 -0.000 0.539) 2.734 16.008 ( 0.629 0.000 2.179) 2.267 17.859 ( -2.917 -0.000 -3.487) 4.546 18.885 ( -0.053 -0.000 1.888) 1.889 19.639 ( 2.040 0.000 0.424) 2.084 19.747 ( -30.416 -0.000 0.271) 30.417 ======================= Grid point 402 (164/324) ======================= q-point: ( 0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.952 ( 3.579 -11.708 14.111) 18.682 0.989 ( -5.108 -11.232 17.486) 21.401 1.443 ( 2.972 -1.922 -8.071) 8.813 1.550 ( 3.466 -4.585 -11.767) 13.095 1.705 ( -3.951 -5.735 21.517) 22.616 2.101 ( 0.086 -2.780 -1.724) 3.272 2.223 ( 4.386 -7.144 -4.836) 9.678 2.596 ( 7.622 1.725 3.337) 8.497 2.902 ( 2.851 -16.015 8.126) 18.183 3.279 ( -7.347 -1.572 5.682) 9.420 3.317 ( -7.995 -4.085 3.311) 9.569 3.539 ( 3.026 -6.543 -8.482) 11.132 3.633 ( 3.133 -6.052 3.468) 7.647 3.865 ( 3.575 -7.164 -18.013) 19.712 4.321 ( -3.642 -0.618 -12.560) 13.092 5.306 ( -2.118 1.239 4.801) 5.391 5.635 ( -1.673 1.392 1.975) 2.939 5.821 ( -2.368 5.448 5.518) 8.107 6.314 ( 0.266 -8.540 -0.111) 8.545 7.097 ( -0.501 -5.247 0.504) 5.295 7.499 ( -0.748 -0.604 -1.228) 1.559 7.726 ( 0.477 -3.079 -2.024) 3.715 8.255 ( 4.513 -3.568 4.624) 7.382 8.286 ( -10.980 -10.361 -5.133) 15.946 8.678 ( 0.137 -2.224 -0.609) 2.310 9.071 ( 6.032 10.163 -5.111) 12.876 9.437 ( -1.447 4.927 0.740) 5.189 9.714 ( 3.715 -0.886 -0.477) 3.848 9.980 ( -6.491 -1.444 19.217) 20.335 10.724 ( 14.648 7.506 -13.328) 21.179 11.336 ( 2.069 3.142 -3.613) 5.216 11.598 ( 0.567 -2.406 -5.010) 5.587 12.221 ( 2.552 11.260 2.920) 11.909 12.299 ( 2.031 2.430 -0.596) 3.223 13.194 ( 4.800 -32.793 -5.415) 33.582 14.229 ( 8.324 -3.935 -3.095) 9.714 15.427 ( -15.083 21.308 3.586) 26.351 15.967 ( -0.012 5.306 1.913) 5.640 17.818 ( -0.500 2.013 -1.680) 2.669 18.882 ( 2.703 1.444 1.347) 3.347 19.452 ( -33.144 4.084 4.979) 33.764 19.743 ( 17.505 3.620 3.942) 18.305 ======================= Grid point 403 (165/324) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.207 ( 7.028 -9.014 7.805) 13.841 1.246 ( 0.485 -9.336 12.334) 15.477 1.497 ( 1.152 -5.509 -7.032) 9.007 1.636 ( -1.205 -5.952 -4.897) 7.801 1.847 ( -1.021 -4.893 10.749) 11.854 2.160 ( 1.987 -4.055 -3.032) 5.440 2.464 ( 5.074 -15.471 -5.156) 17.079 2.633 ( 8.250 -1.124 -1.484) 8.457 3.244 ( -10.106 -4.275 8.525) 13.895 3.328 ( 0.792 -16.450 9.209) 18.869 3.412 ( -2.413 -7.976 3.982) 9.236 3.703 ( 3.249 -6.454 -4.625) 8.579 3.775 ( 2.562 -12.658 -6.867) 14.626 4.068 ( 4.045 -15.476 -11.153) 19.500 4.345 ( -3.838 -8.569 -5.663) 10.965 5.278 ( -2.771 2.423 4.626) 5.912 5.588 ( -9.979 0.443 -1.903) 10.169 5.724 ( 4.626 6.542 6.558) 10.355 6.501 ( 0.207 -10.512 0.550) 10.529 7.222 ( -1.403 -7.852 0.949) 8.033 7.477 ( 0.162 3.284 0.252) 3.297 7.810 ( 4.013 -5.201 -3.837) 7.608 8.150 ( -4.891 1.061 3.462) 6.085 8.642 ( -4.050 -4.945 -1.127) 6.490 8.705 ( -2.144 -11.856 1.252) 12.113 8.867 ( 9.749 13.059 -2.875) 16.548 9.345 ( 0.676 3.989 -1.480) 4.308 9.688 ( -3.008 3.967 -3.534) 6.106 10.006 ( -1.107 2.103 15.617) 15.797 10.551 ( 10.360 12.637 -12.115) 20.342 11.252 ( -3.997 4.356 1.644) 6.136 11.639 ( -4.004 -3.824 -4.863) 7.369 12.118 ( 1.197 2.314 -0.303) 2.623 12.263 ( 6.294 3.299 -1.633) 7.291 13.716 ( -2.208 -22.133 -4.995) 22.797 14.369 ( 10.480 -6.653 -4.961) 13.369 14.899 ( -15.665 24.319 4.544) 29.282 15.828 ( -1.920 9.231 1.745) 9.588 17.780 ( 2.387 1.922 -0.890) 3.191 18.870 ( 4.005 2.078 0.343) 4.525 19.257 ( -22.690 3.160 5.488) 23.557 19.753 ( 17.463 6.275 4.002) 18.983 ======================= Grid point 404 (166/324) ======================= q-point: ( 0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.381 ( 3.539 -2.110 4.452) 6.066 1.411 ( 10.071 -6.359 -1.260) 11.977 1.602 ( 2.116 -4.633 -4.321) 6.679 1.749 ( -8.011 -9.429 5.833) 13.679 1.949 ( 0.107 -3.560 5.495) 6.548 2.270 ( 2.097 -7.666 -2.607) 8.364 2.665 ( 3.216 -5.400 -10.105) 11.900 2.792 ( 11.134 -10.349 1.433) 15.269 3.244 ( -9.446 -1.538 5.576) 11.076 3.466 ( -3.930 -3.048 -1.063) 5.086 3.723 ( 5.416 -2.577 -2.893) 6.659 3.840 ( 2.027 -19.268 7.162) 20.655 4.125 ( 0.267 -21.124 1.872) 21.209 4.355 ( 0.877 -18.495 -13.217) 22.749 4.599 ( -0.408 -18.870 1.284) 18.918 5.191 ( -4.384 6.609 3.673) 8.740 5.487 ( -7.448 5.244 0.489) 9.122 5.717 ( 2.445 -3.234 1.976) 4.511 6.706 ( -0.076 -10.748 1.998) 10.933 7.358 ( -1.931 -4.784 0.915) 5.240 7.397 ( 1.010 2.775 1.500) 3.313 7.928 ( 7.121 -5.391 -4.339) 9.930 8.168 ( -8.869 -2.496 1.626) 9.356 8.545 ( -1.823 3.667 -5.790) 7.092 8.700 ( 11.746 10.340 1.692) 15.740 8.930 ( -7.707 -5.988 9.568) 13.668 9.309 ( 2.528 -1.135 -6.105) 6.705 9.525 ( -8.694 7.595 -4.961) 12.565 9.992 ( 4.800 5.412 12.009) 14.019 10.306 ( 8.897 14.039 -9.704) 19.246 11.142 ( -6.180 5.638 3.745) 9.166 11.655 ( -10.297 -2.683 -1.939) 10.816 12.113 ( 2.740 -0.381 -2.902) 4.009 12.218 ( 6.282 4.325 -2.681) 8.084 13.945 ( -10.447 -4.908 5.190) 12.655 14.440 ( -0.528 7.578 -11.122) 13.469 14.577 ( 3.051 -2.900 2.928) 5.127 15.624 ( -3.091 11.173 1.521) 11.692 17.769 ( 4.202 0.719 -0.853) 4.348 18.841 ( 1.455 2.699 -0.144) 3.069 19.127 ( -13.827 2.102 3.594) 14.440 19.719 ( 15.318 7.244 3.193) 17.243 ======================= Grid point 405 (167/324) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.421 ( 3.659 -0.105 -0.325) 3.675 1.545 ( 6.963 -3.765 -3.118) 8.508 1.651 ( 2.026 -1.373 -3.197) 4.026 1.925 ( -2.842 -9.124 6.136) 11.357 2.020 ( -0.512 -2.706 4.117) 4.953 2.454 ( -0.146 -11.584 -1.288) 11.656 2.756 ( 5.922 -5.303 -7.716) 11.078 3.029 ( 7.280 -8.374 2.351) 11.343 3.252 ( -4.295 -2.241 2.118) 5.288 3.462 ( -4.222 -0.156 -2.590) 4.956 3.748 ( 2.947 -0.815 -1.280) 3.315 4.126 ( -3.542 -7.920 -2.342) 8.986 4.550 ( 0.508 -19.523 10.711) 22.274 4.713 ( 2.760 -20.053 -10.925) 23.002 4.973 ( 1.054 -13.954 5.253) 14.947 5.026 ( -5.391 4.031 0.659) 6.764 5.364 ( -2.030 2.662 2.555) 4.212 5.860 ( -1.400 -10.513 -1.894) 10.774 6.915 ( -0.192 -10.482 3.618) 11.090 7.321 ( -0.211 1.868 2.071) 2.797 7.477 ( -1.314 -4.466 -0.244) 4.662 8.016 ( -1.064 4.313 -1.102) 4.577 8.092 ( -0.388 -1.872 -7.608) 7.844 8.572 ( 2.358 -1.595 2.762) 3.966 8.598 ( 7.977 2.594 0.558) 8.406 8.910 ( -9.211 4.658 6.359) 12.123 9.277 ( -3.999 7.014 -3.416) 8.767 9.404 ( -4.174 -4.384 -5.386) 8.103 9.865 ( 3.661 14.469 3.717) 15.381 10.129 ( 11.270 6.418 -2.196) 13.154 10.992 ( -5.901 8.284 3.936) 10.906 11.612 ( -10.947 1.536 0.356) 11.060 12.070 ( 3.204 5.595 -6.813) 9.380 12.199 ( 0.781 -1.862 -0.530) 2.088 13.873 ( -9.025 5.360 8.841) 13.724 14.358 ( 0.011 -1.607 -9.138) 9.278 14.700 ( 4.266 -4.860 -0.567) 6.491 15.399 ( -3.476 11.008 1.338) 11.621 17.791 ( 4.975 -0.790 -0.730) 5.090 18.780 ( -3.521 3.062 0.052) 4.667 19.056 ( -5.657 1.174 1.559) 5.984 19.667 ( 12.425 6.664 2.303) 14.286 ======================= Grid point 406 (168/324) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.432 ( 2.997 0.311 -1.444) 3.341 1.610 ( 2.536 -1.638 -1.923) 3.579 1.667 ( 1.402 -0.392 -1.819) 2.330 2.046 ( 2.770 -1.796 -0.050) 3.302 2.116 ( 0.486 -7.067 3.311) 7.820 2.674 ( -2.665 -12.134 0.121) 12.424 2.881 ( 6.050 -6.281 -3.363) 9.347 3.139 ( 0.158 -0.106 1.328) 1.342 3.351 ( 4.336 -8.711 -1.378) 9.828 3.440 ( -1.951 -0.355 -0.705) 2.105 3.788 ( -0.889 -2.836 0.915) 3.110 4.157 ( -4.659 -0.277 -4.355) 6.383 4.641 ( -4.589 8.920 3.134) 10.510 4.806 ( -3.015 11.475 2.236) 12.073 5.117 ( 5.585 -20.179 0.829) 20.954 5.318 ( 0.378 -14.762 1.686) 14.863 5.504 ( -0.309 -14.976 2.215) 15.142 6.046 ( -1.959 -10.078 -3.446) 10.829 7.117 ( 0.008 -9.569 4.188) 10.445 7.325 ( -3.100 -2.364 1.097) 4.050 7.520 ( -2.104 -1.316 -1.543) 2.922 7.841 ( -1.137 7.422 -2.640) 7.959 8.167 ( 5.299 -2.204 -6.550) 8.709 8.543 ( 9.971 2.786 6.392) 12.167 8.652 ( -4.277 6.184 4.408) 8.715 8.813 ( -8.465 -4.973 -1.770) 9.976 9.133 ( -2.456 4.331 -2.935) 5.779 9.469 ( -4.448 -5.129 -2.136) 7.118 9.572 ( 1.262 16.685 -0.787) 16.751 10.120 ( 11.701 2.284 2.477) 12.177 10.794 ( -4.076 11.144 3.362) 12.333 11.479 ( -5.740 7.497 -0.204) 9.444 11.962 ( -4.562 2.480 -5.579) 7.622 12.249 ( 0.806 -2.595 -0.895) 2.860 13.792 ( -3.201 1.996 5.394) 6.582 14.373 ( 0.182 -1.913 -5.232) 5.574 14.788 ( 1.672 -2.910 -0.061) 3.356 15.194 ( -3.050 9.198 1.196) 9.764 17.840 ( 4.735 -1.720 -0.415) 5.055 18.700 ( -5.517 2.656 0.047) 6.124 19.025 ( -1.421 0.680 0.472) 1.645 19.616 ( 8.841 5.077 1.580) 10.317 ======================= Grid point 407 (169/324) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.435 ( 2.697 0.358 -1.789) 3.256 1.631 ( -0.396 -0.630 -0.133) 0.755 1.667 ( 0.236 0.495 -0.960) 1.106 2.076 ( 1.020 -0.728 0.204) 1.270 2.253 ( 5.648 -5.246 -3.440) 8.441 2.859 ( -3.310 -8.099 0.521) 8.765 3.016 ( 3.101 -5.088 0.670) 5.996 3.129 ( 1.640 -0.917 -1.338) 2.307 3.434 ( 0.850 -0.075 -0.322) 0.911 3.574 ( 3.746 -11.154 -0.669) 11.785 3.830 ( -6.076 -2.115 2.126) 6.776 4.088 ( 0.436 5.010 -5.694) 7.597 4.408 ( -2.872 12.059 4.661) 13.243 4.573 ( -4.333 10.199 2.508) 11.362 5.452 ( 2.686 -10.955 1.400) 11.366 5.541 ( 0.361 -8.656 0.410) 8.673 5.781 ( -0.156 -11.601 2.805) 11.936 6.173 ( -0.897 -5.126 -4.096) 6.623 7.292 ( 0.565 -7.311 1.610) 7.508 7.371 ( -5.405 -4.374 1.187) 7.054 7.491 ( -4.139 1.914 -1.985) 4.974 7.746 ( 8.021 4.258 -1.673) 9.234 8.179 ( 2.479 -0.339 -4.414) 5.074 8.455 ( -5.154 9.388 3.401) 11.237 8.632 ( 8.234 -4.465 5.396) 10.810 8.886 ( -7.241 -3.741 -0.234) 8.153 9.064 ( 1.536 2.575 -3.409) 4.540 9.294 ( -2.662 10.184 -3.072) 10.965 9.538 ( -4.970 -5.336 -0.036) 7.292 10.157 ( 9.120 1.254 4.837) 10.399 10.567 ( -1.294 11.630 2.795) 12.031 11.314 ( -2.526 6.168 -1.360) 6.803 11.896 ( -4.870 0.490 -4.831) 6.877 12.290 ( 0.383 -1.608 -0.656) 1.779 13.784 ( -0.767 -0.464 2.501) 2.656 14.401 ( 1.490 -2.122 -3.295) 4.192 14.828 ( -0.259 -0.923 0.875) 1.298 15.039 ( -1.935 5.876 1.021) 6.271 17.893 ( 3.174 -1.560 -0.122) 3.538 18.633 ( -3.895 1.681 -0.177) 4.246 19.014 ( -0.208 0.216 0.108) 0.319 19.580 ( 4.442 2.875 1.131) 5.411 ======================= Grid point 408 (170/324) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.435 ( 2.802 0.513 -1.882) 3.414 1.633 ( -3.404 -0.016 1.582) 3.754 1.646 ( 0.283 1.073 -1.064) 1.538 2.089 ( 0.063 -0.308 -0.024) 0.316 2.337 ( 5.623 -1.952 -6.434) 8.765 2.922 ( 1.005 -0.312 -1.684) 1.986 3.090 ( -0.600 -2.691 -0.846) 2.884 3.202 ( 0.687 -2.527 2.680) 3.747 3.445 ( 1.608 -1.523 -2.419) 3.280 3.771 ( -1.836 -6.253 -0.256) 6.522 3.799 ( -5.799 3.562 1.544) 6.979 3.933 ( 3.205 6.204 -4.185) 8.141 4.232 ( 4.432 9.400 8.927) 13.701 4.483 ( -5.939 -4.002 0.992) 7.230 5.522 ( -3.283 2.940 2.592) 5.112 5.667 ( 2.326 -2.867 -0.865) 3.792 5.926 ( 0.172 -2.610 2.547) 3.651 6.194 ( 0.787 1.609 -4.264) 4.625 7.351 ( 1.606 6.871 0.450) 7.071 7.393 ( -0.361 -3.372 -1.134) 3.576 7.490 ( -2.574 -4.397 0.598) 5.130 7.725 ( 3.385 0.238 -2.342) 4.123 8.192 ( 1.078 1.358 -1.591) 2.353 8.350 ( -0.475 -2.017 1.097) 2.345 8.795 ( 0.581 -5.727 5.484) 7.950 8.844 ( -5.620 2.072 0.738) 6.035 8.993 ( 12.049 6.922 -0.035) 13.896 9.187 ( -9.537 -2.396 -7.892) 12.609 9.624 ( -4.353 -6.390 -1.390) 7.856 10.147 ( -0.217 6.043 8.783) 10.663 10.430 ( 5.474 2.622 2.301) 6.491 11.242 ( -1.418 -0.437 -1.566) 2.157 11.858 ( 0.359 0.679 -4.457) 4.523 12.306 ( 0.075 -0.116 -0.481) 0.501 13.806 ( -0.698 -1.584 0.721) 1.875 14.445 ( 3.334 -2.088 -3.527) 5.283 14.826 ( -1.026 1.177 1.951) 2.499 14.973 ( -0.836 0.403 0.918) 1.306 17.922 ( 0.241 -0.419 -0.159) 0.508 18.602 ( -0.091 0.358 -0.164) 0.405 19.016 ( 0.095 -0.466 -0.120) 0.491 19.563 ( -0.678 0.283 1.086) 1.311 ======================= Grid point 409 (171/324) ======================= q-point: (-0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.429 ( 2.926 1.298 -1.741) 3.643 1.589 ( -4.486 2.413 1.347) 5.269 1.644 ( -0.390 -0.503 -0.315) 0.710 2.087 ( -0.700 0.256 -0.282) 0.797 2.339 ( 1.797 1.735 -5.346) 5.901 2.899 ( 3.251 3.911 -2.094) 5.499 3.081 ( -2.459 4.662 -1.637) 5.519 3.175 ( 1.240 2.681 -2.489) 3.863 3.488 ( 0.607 -1.247 -2.574) 2.924 3.620 ( -4.754 7.950 -3.212) 9.805 3.810 ( 0.482 -1.855 6.201) 6.490 3.903 ( 0.436 3.504 -0.629) 3.586 4.255 ( 8.196 -6.072 7.812) 12.848 4.594 ( -5.085 -7.633 3.460) 9.802 5.360 ( -4.454 11.942 2.239) 12.940 5.643 ( 0.259 5.721 -1.092) 5.830 5.897 ( 0.408 6.250 0.944) 6.334 6.095 ( 2.429 8.239 -3.349) 9.219 7.213 ( 3.219 8.414 2.432) 9.331 7.440 ( 0.843 -1.347 0.079) 1.591 7.513 ( 4.046 1.823 -2.242) 4.972 7.777 ( -4.559 -6.257 -2.219) 8.053 8.136 ( -0.112 2.731 -2.262) 3.548 8.497 ( 3.511 -9.002 0.933) 9.707 8.700 ( -10.932 3.394 2.928) 11.815 8.928 ( 10.362 3.188 -2.002) 11.025 9.023 ( 8.631 -6.952 5.831) 12.523 9.166 ( -9.692 -2.734 -7.453) 12.528 9.688 ( -3.684 -1.980 -5.007) 6.524 10.053 ( -6.064 1.838 9.308) 11.260 10.513 ( 6.976 -4.953 4.924) 9.871 11.306 ( -0.468 -7.014 -0.881) 7.084 11.849 ( 6.615 0.757 -3.523) 7.533 12.291 ( -0.010 1.526 -0.705) 1.681 13.840 ( -1.720 -2.518 0.299) 3.064 14.482 ( 5.694 -0.628 -5.457) 7.911 14.794 ( -1.708 2.016 2.064) 3.353 15.022 ( 0.351 -5.168 1.495) 5.391 17.909 ( -2.735 0.786 -0.658) 2.921 18.617 ( 3.449 -0.875 0.359) 3.576 19.033 ( 0.815 -1.304 -0.529) 1.626 19.570 ( -6.166 -2.451 1.482) 6.799 ======================= Grid point 410 (172/324) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.400 ( 2.581 2.885 -1.340) 4.097 1.508 ( -5.206 4.024 1.898) 6.848 1.652 ( -0.384 -0.697 -0.726) 1.077 2.068 ( -1.372 1.099 -0.490) 1.825 2.265 ( -3.547 4.227 -1.460) 5.708 2.766 ( 0.701 10.439 -2.703) 10.806 2.878 ( -0.236 12.363 -3.031) 12.731 3.191 ( 5.270 -1.885 -2.038) 5.956 3.428 ( 1.000 5.920 0.771) 6.053 3.486 ( -8.936 2.062 -10.185) 13.705 3.844 ( 1.812 2.189 -1.552) 3.237 3.896 ( 5.832 -1.504 9.260) 11.047 4.469 ( 6.774 -6.526 5.956) 11.133 4.632 ( -7.194 5.230 9.055) 12.693 5.132 ( -1.603 6.783 -0.192) 6.973 5.460 ( -2.324 12.146 -1.825) 12.500 5.711 ( -0.401 12.449 -3.043) 12.822 5.909 ( 3.901 11.912 0.104) 12.535 7.088 ( 1.205 7.526 3.308) 8.309 7.448 ( -0.587 0.802 1.171) 1.536 7.492 ( 5.853 1.247 -2.761) 6.590 7.883 ( 0.565 -7.251 -3.415) 8.035 8.061 ( -4.570 3.922 -2.428) 6.494 8.596 ( -10.817 -0.085 2.212) 11.042 8.680 ( 7.881 -2.057 4.323) 9.221 8.949 ( 9.164 -2.752 -6.333) 11.474 9.139 ( -4.532 -1.831 -5.639) 7.462 9.245 ( 4.864 -9.167 6.415) 12.201 9.621 ( -5.550 3.786 0.263) 6.724 10.114 ( -6.298 -8.609 0.846) 10.700 10.686 ( 5.184 -7.570 7.417) 11.798 11.476 ( 2.851 -9.769 0.331) 10.182 11.872 ( 9.397 0.459 -2.829) 9.825 12.248 ( -0.176 2.578 -1.043) 2.787 13.892 ( -2.918 -4.181 1.612) 5.348 14.485 ( 8.994 2.263 -7.839) 12.144 14.748 ( -3.448 1.853 0.836) 4.003 15.171 ( 1.627 -9.166 1.884) 9.498 17.868 ( -4.338 1.055 -1.348) 4.663 18.665 ( 4.311 -1.708 1.193) 4.787 19.072 ( 2.924 -2.187 -1.105) 3.815 19.600 ( -11.633 -5.004 2.221) 12.856 ======================= Grid point 411 (173/324) ======================= q-point: (-0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.329 ( 0.840 5.913 0.511) 5.994 1.398 ( -5.049 5.407 3.231) 8.073 1.656 ( -0.069 -0.049 -1.572) 1.574 2.024 ( -2.020 2.640 -1.060) 3.489 2.147 ( -8.540 4.909 3.594) 10.485 2.523 ( -0.931 13.353 -3.126) 13.745 2.653 ( 3.916 10.642 -4.041) 12.038 3.248 ( 4.618 -0.512 1.987) 5.054 3.330 ( -10.249 6.060 -12.247) 17.081 3.352 ( 3.268 2.767 0.547) 4.317 3.793 ( 3.585 5.608 -2.521) 7.118 3.951 ( 5.828 2.483 8.138) 10.313 4.239 ( -7.266 23.642 8.522) 26.160 4.679 ( 6.657 -1.209 3.810) 7.765 5.093 ( -2.246 0.028 -0.892) 2.417 5.166 ( -2.460 16.026 -4.442) 16.811 5.481 ( 0.382 8.581 -1.287) 8.685 5.729 ( 2.669 7.808 2.542) 8.634 6.941 ( -1.604 9.112 1.791) 9.424 7.414 ( -0.030 3.034 1.840) 3.549 7.529 ( 1.782 -3.762 -3.010) 5.137 7.928 ( -4.952 6.143 -0.830) 7.934 8.047 ( 8.268 -8.988 -3.569) 12.723 8.496 ( -7.392 6.196 3.021) 10.108 8.774 ( 0.589 -4.842 0.390) 4.894 9.015 ( 0.771 -1.136 -3.648) 3.898 9.194 ( 4.325 -5.298 0.108) 6.840 9.399 ( 8.660 -0.301 -6.117) 10.606 9.600 ( -8.079 -6.549 13.155) 16.770 10.267 ( -5.580 -10.886 -5.869) 13.568 10.885 ( 4.022 -8.044 8.309) 12.244 11.668 ( 13.324 -4.575 -0.290) 14.090 11.905 ( 2.183 -2.074 -2.031) 3.632 12.196 ( -0.611 2.039 -0.881) 2.304 13.983 ( -3.506 -5.848 5.313) 8.644 14.430 ( 12.554 6.636 -9.649) 17.168 14.700 ( -4.834 0.294 -2.503) 5.451 15.382 ( 2.091 -11.208 1.879) 11.555 17.826 ( -4.721 0.117 -1.895) 5.088 18.726 ( 2.298 -2.265 1.894) 3.741 19.143 ( 6.706 -3.151 -1.552) 7.570 19.650 ( -17.023 -7.225 3.181) 18.764 ======================= Grid point 412 (174/324) ======================= q-point: (-0.21 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.189 ( -2.626 9.020 7.193) 11.832 1.277 ( -3.373 6.887 4.609) 8.947 1.638 ( 0.164 1.450 -2.891) 3.239 1.927 ( -2.487 6.095 -3.438) 7.427 2.019 ( -12.351 5.176 7.736) 15.465 2.283 ( -0.468 9.324 -2.475) 9.658 2.499 ( 6.744 7.355 -4.675) 11.020 3.032 ( -12.370 16.585 -8.337) 22.306 3.255 ( 5.244 3.390 7.322) 9.623 3.369 ( 2.800 -1.465 0.169) 3.165 3.572 ( 3.664 19.669 1.855) 20.093 3.847 ( -2.443 12.598 -1.276) 12.896 3.913 ( 3.339 8.733 8.993) 12.973 4.593 ( 4.353 10.555 -9.915) 15.122 4.782 ( -6.503 16.363 -10.300) 20.399 5.159 ( -0.167 -4.803 5.365) 7.203 5.383 ( 8.038 5.563 5.737) 11.335 5.704 ( -2.644 -3.495 2.315) 4.957 6.743 ( -2.669 10.765 0.201) 11.093 7.336 ( 1.245 6.416 2.126) 6.873 7.611 ( -7.060 -6.815 -6.342) 11.684 7.810 ( 0.235 3.979 1.456) 4.243 8.226 ( 9.414 1.703 -0.136) 9.568 8.381 ( -3.375 -4.129 0.062) 5.334 8.863 ( -4.777 -5.606 -1.775) 7.576 8.998 ( -3.618 2.000 2.746) 4.963 9.285 ( 3.260 -0.474 -2.460) 4.112 9.419 ( 11.334 -2.180 -4.153) 12.266 9.787 ( -5.218 -9.253 14.987) 18.370 10.408 ( -2.606 -8.491 -9.166) 12.764 11.072 ( 3.506 -6.882 7.046) 10.455 11.722 ( 18.667 6.256 -5.614) 20.472 11.998 ( -2.041 -7.200 1.646) 7.663 12.164 ( -2.822 0.003 -0.239) 2.832 14.030 ( -0.241 5.978 4.669) 7.589 14.340 ( 10.565 4.882 -5.899) 13.048 14.711 ( -2.580 -7.318 -5.844) 9.714 15.612 ( 1.632 -11.139 1.905) 11.418 17.809 ( -4.558 -1.654 -2.210) 5.328 18.783 ( -0.676 -2.591 2.164) 3.443 19.253 ( 10.956 -4.239 -1.680) 11.867 19.715 ( -22.994 -9.460 4.139) 25.206 ======================= Grid point 413 (175/324) ======================= q-point: (-0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.032 ( -3.797 9.355 13.711) 17.027 1.121 ( -4.037 9.942 10.765) 15.199 1.578 ( -0.010 3.673 -5.339) 6.480 1.757 ( -1.625 7.840 -8.002) 11.320 1.859 ( -16.025 7.688 12.191) 21.553 2.168 ( -0.052 3.128 -1.136) 3.329 2.400 ( 6.442 7.015 -4.853) 10.689 2.588 ( -5.600 18.978 2.899) 19.999 3.179 ( 0.908 15.693 2.959) 15.995 3.279 ( 5.486 5.478 4.139) 8.789 3.409 ( -1.806 -0.960 2.156) 2.972 3.613 ( 7.299 13.648 0.949) 15.507 3.763 ( -2.060 9.202 3.473) 10.049 4.317 ( -3.217 12.616 -21.828) 25.416 4.516 ( -2.203 4.914 -11.220) 12.445 5.237 ( -0.207 -1.353 6.615) 6.755 5.422 ( 11.045 -1.856 7.530) 13.496 5.787 ( -5.527 -5.641 2.546) 8.297 6.522 ( -2.159 10.917 -0.607) 11.145 7.209 ( 1.099 7.703 1.462) 7.918 7.615 ( -9.431 -0.368 -3.957) 10.234 7.806 ( 1.671 -0.635 -4.453) 4.798 8.141 ( -0.698 2.211 5.371) 5.850 8.573 ( 7.657 -7.511 -1.596) 10.844 8.829 ( -5.785 11.302 -1.281) 12.761 8.962 ( -8.404 -7.158 -7.144) 13.149 9.315 ( 2.315 -3.688 -0.043) 4.354 9.533 ( 11.320 -2.461 2.515) 11.854 9.943 ( -6.264 -4.450 15.787) 17.557 10.499 ( 6.794 -3.702 -9.527) 12.273 11.216 ( 3.591 -4.535 3.833) 6.939 11.655 ( 10.712 5.725 -5.675) 13.407 12.087 ( 1.566 -1.596 0.735) 2.354 12.202 ( -2.909 -5.696 1.105) 6.491 13.732 ( 7.217 25.783 -5.241) 27.283 14.278 ( 1.503 5.056 -0.650) 5.315 14.988 ( 3.835 -21.546 0.045) 21.884 15.816 ( 0.560 -8.908 2.123) 9.175 17.826 ( -4.209 -3.197 -2.578) 5.880 18.830 ( -2.344 -2.548 2.136) 4.068 19.399 ( 13.957 -4.633 -1.783) 14.814 19.794 ( -31.098 -12.284 3.814) 33.653 ======================= Grid point 414 (176/324) ======================= q-point: (-0.07 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.860 ( -4.559 11.180 15.759) 19.853 0.950 ( -7.953 9.881 18.003) 22.023 1.476 ( -0.450 3.622 -6.074) 7.086 1.600 ( -0.527 5.247 -6.558) 8.415 1.659 ( -13.740 8.083 17.232) 23.474 2.113 ( -0.436 2.871 -1.241) 3.158 2.219 ( 1.506 6.568 -3.382) 7.539 2.470 ( 8.647 1.432 6.856) 11.128 2.875 ( 0.076 13.725 -1.790) 13.841 3.268 ( 3.575 2.361 3.517) 5.543 3.374 ( -8.034 3.368 7.565) 11.538 3.477 ( 10.104 4.543 0.046) 11.079 3.603 ( -1.633 7.096 3.682) 8.159 4.028 ( -4.493 6.726 -27.004) 28.189 4.440 ( -2.458 -1.018 -14.965) 15.200 5.283 ( 0.296 -1.624 5.708) 5.942 5.551 ( 8.991 -2.691 6.817) 11.600 5.860 ( -7.254 -4.571 3.408) 9.226 6.320 ( -1.007 8.889 -0.615) 8.967 7.091 ( 0.879 5.247 0.695) 5.365 7.548 ( -5.889 1.536 -2.446) 6.560 7.757 ( -3.061 2.162 -3.867) 5.385 8.186 ( 4.078 3.390 2.603) 5.907 8.460 ( -13.656 8.898 -7.783) 18.062 8.677 ( 1.336 1.659 -2.382) 3.195 9.076 ( -0.366 -8.143 -5.301) 9.724 9.435 ( 0.116 -6.317 1.776) 6.563 9.633 ( 7.960 -1.897 5.352) 9.778 9.952 ( -9.321 4.364 16.145) 19.146 10.602 ( 22.104 -2.665 -6.809) 23.282 11.302 ( 6.172 -1.486 -0.350) 6.357 11.610 ( 2.909 1.068 -4.297) 5.298 12.175 ( 0.994 -8.825 4.457) 9.937 12.292 ( -0.094 -3.566 -0.321) 3.582 13.161 ( 6.791 34.777 -3.859) 35.643 14.191 ( 1.607 3.808 -1.287) 4.329 15.453 ( 6.467 -20.822 2.541) 21.951 15.955 ( -0.488 -4.890 2.335) 5.441 17.858 ( -3.712 -2.887 -3.444) 5.829 18.867 ( -1.994 -1.786 2.037) 3.363 19.544 ( 15.077 -2.925 -1.103) 15.398 19.852 ( -41.403 -11.512 -0.729) 42.980 ======================= Grid point 416 (177/324) ======================= q-point: ( 0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.858 ( 5.154 0.000 14.481) 15.371 0.942 ( 2.249 0.000 19.941) 20.068 1.426 ( 5.097 0.000 -9.101) 10.431 1.490 ( 5.456 0.000 -12.753) 13.871 1.714 ( -0.163 -0.000 23.355) 23.356 2.064 ( -0.865 -0.000 -0.338) 0.929 2.171 ( 5.907 0.000 -6.892) 9.077 2.664 ( -2.842 -0.000 -2.453) 3.754 2.791 ( 14.416 0.000 15.330) 21.044 3.222 ( -5.063 -0.000 -0.376) 5.077 3.247 ( -14.945 -0.000 9.998) 17.981 3.446 ( -1.223 -0.000 -18.447) 18.488 3.572 ( 3.057 0.000 2.665) 4.056 3.815 ( 10.334 0.000 -7.784) 12.937 4.258 ( -4.733 -0.000 -12.058) 12.954 5.318 ( -3.321 -0.000 3.911) 5.131 5.618 ( -10.219 -0.000 -0.340) 10.225 5.904 ( 1.979 0.000 7.227) 7.493 6.224 ( 1.289 0.000 -0.052) 1.290 7.041 ( -0.979 -0.000 0.099) 0.984 7.501 ( 4.122 0.000 -0.146) 4.125 7.700 ( 1.608 0.000 -0.277) 1.632 8.021 ( 1.225 0.000 -0.505) 1.325 8.354 ( -4.841 -0.000 1.718) 5.137 8.642 ( 0.984 0.000 1.156) 1.518 9.203 ( 8.538 0.000 -5.124) 9.957 9.470 ( -5.094 -0.000 -0.339) 5.105 9.711 ( 4.089 0.000 -0.349) 4.104 9.993 ( -5.971 -0.000 19.164) 20.073 10.823 ( 12.364 0.000 -16.040) 20.252 11.361 ( 1.873 0.000 -8.717) 8.916 11.564 ( 0.389 0.000 -4.910) 4.926 12.314 ( -0.492 -0.000 -0.599) 0.775 12.596 ( 10.865 0.000 -1.488) 10.966 12.653 ( 0.010 0.000 0.567) 0.567 14.231 ( 11.424 0.000 -4.199) 12.172 15.537 ( -28.276 -0.000 4.430) 28.621 16.030 ( 0.231 0.000 1.410) 1.429 17.835 ( 1.218 0.000 -0.692) 1.401 18.920 ( 4.428 0.000 1.345) 4.628 19.337 ( -30.684 -0.000 6.473) 31.360 19.894 ( 19.683 0.000 6.579) 20.754 ======================= Grid point 417 (178/324) ======================= q-point: ( 0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.066 ( 2.215 -11.601 13.905) 18.244 1.113 ( 8.649 -7.847 13.868) 18.131 1.439 ( 6.444 -1.188 -8.786) 10.961 1.524 ( 4.415 -4.262 -9.948) 11.688 1.815 ( 1.400 -2.826 15.782) 16.094 2.093 ( 0.323 -3.159 -1.595) 3.554 2.251 ( 7.345 -7.735 -5.866) 12.173 2.652 ( 3.118 -0.760 -1.462) 3.527 3.033 ( 5.853 -12.455 11.939) 18.219 3.209 ( -11.995 -1.507 8.485) 14.770 3.263 ( -5.726 -6.242 4.124) 9.421 3.443 ( -1.069 -8.009 -19.118) 20.755 3.690 ( 3.990 -7.472 2.480) 8.826 3.878 ( 10.492 -3.943 -7.022) 13.227 4.210 ( -5.367 -1.886 -7.517) 9.427 5.303 ( -3.588 0.772 3.719) 5.225 5.537 ( -14.184 1.166 -2.050) 14.379 5.881 ( 3.874 5.259 6.212) 9.014 6.324 ( 1.403 -8.304 0.258) 8.426 7.087 ( -1.765 -5.294 0.326) 5.590 7.525 ( 5.368 0.593 1.975) 5.751 7.738 ( 3.319 -2.842 -0.920) 4.466 8.169 ( -6.814 -3.724 -2.550) 8.172 8.336 ( 4.078 -9.370 6.057) 11.879 8.671 ( -0.417 -0.773 -0.735) 1.145 9.128 ( 9.336 9.639 -3.589) 13.891 9.417 ( -2.535 2.966 -0.023) 3.902 9.706 ( -2.749 2.262 -2.545) 4.376 10.046 ( -2.767 -2.069 15.070) 15.461 10.758 ( 10.906 7.320 -16.391) 21.005 11.301 ( -3.398 3.171 -4.378) 6.385 11.562 ( -1.146 -1.279 -5.108) 5.389 12.255 ( 2.076 10.322 0.275) 10.532 12.324 ( 3.425 3.442 -0.895) 4.938 13.191 ( 2.136 -29.573 -6.581) 30.372 14.315 ( 13.090 -3.577 -5.567) 14.668 15.217 ( -30.377 17.091 7.861) 35.731 15.970 ( -1.725 6.010 1.508) 6.432 17.831 ( 3.757 1.614 0.255) 4.097 18.933 ( 4.827 1.701 1.046) 5.223 19.203 ( -21.782 1.486 6.431) 22.760 19.973 ( 18.907 4.724 7.324) 20.819 ======================= Grid point 418 (179/324) ======================= q-point: ( 0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.330 ( 2.997 -8.162 9.439) 12.833 1.341 ( 8.942 -8.363 6.536) 13.879 1.484 ( 4.928 -3.800 -6.930) 9.314 1.606 ( 0.651 -4.937 -3.200) 5.919 1.915 ( 1.819 -2.783 8.605) 9.225 2.166 ( 2.720 -4.527 -2.937) 6.043 2.474 ( 4.885 -11.854 -8.021) 15.124 2.731 ( 10.924 -4.818 0.503) 11.950 3.165 ( -13.519 -2.739 7.486) 15.694 3.319 ( -5.873 -8.859 -1.990) 10.814 3.502 ( 4.936 -15.451 14.668) 21.869 3.638 ( -0.794 -18.297 -12.515) 22.182 3.814 ( 7.036 -3.534 -0.176) 7.875 4.059 ( 4.843 -11.953 -9.781) 16.186 4.287 ( -3.654 -12.129 0.824) 12.694 5.268 ( -4.665 2.825 4.103) 6.825 5.439 ( -13.939 -0.615 -4.058) 14.531 5.808 ( 3.743 6.172 4.824) 8.682 6.514 ( 1.297 -10.413 1.187) 10.561 7.208 ( -2.394 -7.924 0.981) 8.336 7.520 ( 5.359 4.648 4.114) 8.200 7.836 ( 4.845 -5.827 -2.808) 8.082 8.108 ( -4.944 0.851 0.156) 5.019 8.615 ( -0.289 3.840 -2.712) 4.710 8.680 ( -4.535 -15.182 5.917) 16.914 8.980 ( 11.888 9.835 0.005) 15.429 9.338 ( 0.846 4.053 -2.757) 4.975 9.577 ( -11.479 5.510 -5.517) 13.876 10.108 ( 2.186 0.509 12.667) 12.864 10.576 ( 10.387 12.234 -14.042) 21.324 11.200 ( -6.937 3.823 0.395) 7.930 11.556 ( -6.139 -1.536 -3.969) 7.470 12.135 ( 2.940 3.251 -1.190) 4.542 12.304 ( 4.109 2.092 -2.571) 5.279 13.648 ( -4.944 -20.526 -4.093) 21.506 14.444 ( 10.801 -4.247 -8.446) 14.353 14.748 ( -20.003 17.993 9.417) 28.506 15.811 ( -3.361 9.670 1.484) 10.344 17.820 ( 5.706 1.974 0.278) 6.044 18.904 ( -0.312 3.220 1.345) 3.503 19.107 ( -10.713 1.381 3.876) 11.476 19.962 ( 16.471 7.975 5.779) 19.191 ======================= Grid point 419 (180/324) ======================= q-point: ( 0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.444 ( 5.071 -0.445 1.420) 5.284 1.495 ( 8.133 -4.243 -3.615) 9.860 1.601 ( 3.055 -4.624 -4.252) 6.985 1.739 ( -2.302 -10.132 9.503) 14.080 1.994 ( 1.945 -2.228 5.054) 5.856 2.282 ( 3.645 -7.239 -2.436) 8.463 2.636 ( 4.182 -7.329 -10.969) 13.839 2.938 ( 11.936 -7.907 5.012) 15.169 3.177 ( -10.127 -3.143 5.757) 12.066 3.391 ( -6.940 -3.528 -3.742) 8.639 3.750 ( 3.622 -3.077 -4.176) 6.326 3.889 ( 0.545 -12.756 2.459) 13.002 4.149 ( 0.787 -25.136 5.542) 25.752 4.299 ( 3.463 -17.640 -10.949) 21.049 4.617 ( 0.959 -20.230 3.256) 20.512 5.149 ( -8.320 6.951 3.362) 11.351 5.407 ( -6.753 -1.129 -1.509) 7.011 5.745 ( 0.684 1.292 1.497) 2.093 6.727 ( 1.105 -10.750 2.741) 11.149 7.344 ( -2.801 -6.630 1.389) 7.330 7.442 ( 4.122 6.424 4.636) 8.930 7.975 ( 6.842 -6.354 -3.792) 10.078 8.077 ( -7.007 1.136 -3.001) 7.707 8.511 ( 0.319 1.935 -3.562) 4.066 8.797 ( 1.048 4.871 6.635) 8.298 8.952 ( 2.403 0.142 7.629) 7.999 9.285 ( 1.654 -0.696 -8.740) 8.922 9.372 ( -13.048 6.849 -5.412) 15.699 10.113 ( 4.126 5.932 10.319) 12.598 10.343 ( 10.135 12.305 -10.238) 18.947 11.086 ( -7.709 4.777 1.972) 9.281 11.533 ( -10.278 -1.727 -2.299) 10.673 12.127 ( 3.662 -0.174 -3.255) 4.902 12.242 ( 1.965 5.346 -3.093) 6.481 13.863 ( -11.984 -5.999 6.078) 14.716 14.351 ( -4.718 6.366 -7.185) 10.696 14.644 ( 6.577 -3.627 1.083) 7.589 15.595 ( -4.269 11.245 1.327) 12.101 17.823 ( 6.771 1.087 0.005) 6.857 18.820 ( -6.923 3.724 1.683) 8.040 19.062 ( -1.509 1.210 1.278) 2.318 19.894 ( 13.751 8.874 3.807) 16.803 ======================= Grid point 420 (181/324) ======================= q-point: ( 0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.461 ( 5.266 0.954 -1.741) 5.628 1.576 ( 2.339 -2.550 -2.184) 4.092 1.652 ( 1.918 -1.459 -2.732) 3.643 1.966 ( 3.523 -9.665 5.927) 11.872 2.048 ( 1.073 -1.378 3.486) 3.899 2.459 ( 2.534 -10.015 -0.797) 10.361 2.766 ( 5.261 -7.370 -7.849) 11.984 3.125 ( 4.039 -3.634 5.984) 8.083 3.227 ( -1.988 -5.623 2.404) 6.431 3.392 ( -4.035 -2.308 -4.407) 6.405 3.771 ( 1.135 0.380 1.645) 2.035 4.047 ( -6.647 -6.369 -5.771) 10.865 4.583 ( -3.092 -14.974 3.685) 15.728 4.709 ( 8.659 -23.042 -9.510) 26.389 4.979 ( -6.987 6.365 5.239) 10.807 5.015 ( 1.218 -18.939 4.132) 19.423 5.371 ( -0.594 0.789 3.954) 4.075 5.818 ( -3.356 -9.468 -3.315) 10.578 6.944 ( 1.059 -10.463 3.831) 11.193 7.343 ( 0.099 4.249 3.728) 5.654 7.453 ( -3.244 -3.889 0.773) 5.123 7.939 ( -5.059 6.077 -4.736) 9.217 8.119 ( 9.204 -4.983 -5.564) 11.853 8.567 ( -1.707 -7.189 -0.473) 7.404 8.712 ( 4.640 6.667 7.522) 11.071 8.878 ( -2.315 9.445 4.098) 10.553 9.182 ( -9.568 4.985 -3.337) 11.293 9.328 ( -2.593 -5.589 -7.044) 9.358 9.917 ( 3.031 16.933 1.331) 17.254 10.243 ( 11.597 3.911 -0.299) 12.242 10.944 ( -6.891 7.084 1.562) 10.006 11.502 ( -9.472 -0.581 -0.935) 9.536 12.039 ( -1.289 8.744 -6.170) 10.779 12.205 ( 1.383 -1.947 -0.797) 2.518 13.837 ( -9.208 2.479 9.820) 13.688 14.302 ( -0.653 -2.830 -7.457) 8.003 14.745 ( 5.021 -3.201 -0.511) 5.976 15.366 ( -4.415 10.704 1.126) 11.633 17.851 ( 6.931 -0.182 -0.084) 6.934 18.718 ( -8.574 3.057 1.081) 9.167 19.042 ( 1.179 1.232 0.325) 1.736 19.804 ( 10.922 8.315 2.343) 13.925 ======================= Grid point 421 (182/324) ======================= q-point: ( 0.43 0.07 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.460 ( 4.618 1.048 -2.210) 5.226 1.609 ( -1.154 -1.233 -0.087) 1.690 1.668 ( 0.820 -0.259 -1.717) 1.920 2.074 ( 1.903 -0.466 0.840) 2.132 2.167 ( 6.970 -6.926 0.551) 9.841 2.665 ( 0.069 -10.572 1.322) 10.655 2.914 ( 3.811 -7.354 -2.769) 8.733 3.142 ( -1.260 1.104 0.616) 1.785 3.392 ( 3.505 -8.927 1.295) 9.677 3.431 ( 1.703 -2.772 -0.446) 3.284 3.770 ( -5.265 -0.626 3.089) 6.136 4.074 ( -3.776 -2.717 -7.412) 8.750 4.572 ( -8.204 8.276 -2.431) 11.904 4.805 ( -1.470 10.429 3.493) 11.096 5.182 ( 7.251 -19.594 -1.449) 20.943 5.340 ( 0.303 -13.289 3.859) 13.842 5.529 ( 0.307 -14.345 5.199) 15.262 5.992 ( -3.153 -10.891 -4.720) 12.282 7.148 ( 1.161 -9.131 3.096) 9.712 7.290 ( -5.499 0.265 1.693) 5.760 7.481 ( -3.735 -0.937 -0.164) 3.854 7.835 ( 3.813 2.662 -2.976) 5.521 8.203 ( 8.165 -0.238 -4.932) 9.542 8.631 ( -5.474 9.159 6.840) 12.675 8.683 ( 8.672 3.948 4.081) 10.366 8.711 ( -8.050 -7.131 -2.731) 11.095 9.067 ( -5.951 2.254 -2.529) 6.848 9.395 ( -4.510 -4.806 -4.851) 8.184 9.606 ( 2.988 16.813 2.692) 17.287 10.249 ( 10.566 2.234 1.290) 10.876 10.757 ( -5.772 9.392 0.265) 11.027 11.425 ( -3.634 5.483 -0.419) 6.591 11.869 ( -6.471 3.287 -5.114) 8.878 12.254 ( 1.359 -2.270 -0.960) 2.815 13.795 ( -3.332 1.047 6.250) 7.160 14.343 ( -0.326 -3.264 -4.239) 5.360 14.809 ( 2.529 -1.648 -0.098) 3.020 15.164 ( -3.874 8.509 0.931) 9.396 17.895 ( 5.971 -0.708 0.022) 6.013 18.632 ( -7.440 1.646 0.334) 7.627 19.027 ( 1.094 1.062 0.159) 1.533 19.712 ( 7.708 7.026 1.411) 10.524 ======================= Grid point 422 (183/324) ======================= q-point: ( 0.50 0.07 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.458 ( 4.335 0.798 -2.400) 5.019 1.615 ( -3.617 -0.447 1.712) 4.027 1.661 ( 0.259 0.656 -1.424) 1.589 2.087 ( 0.755 -0.095 0.400) 0.859 2.303 ( 8.756 -3.664 -5.032) 10.744 2.839 ( -1.322 -7.197 0.591) 7.341 3.041 ( 0.067 -3.980 1.715) 4.335 3.150 ( 3.314 -3.057 -0.256) 4.516 3.463 ( 5.217 1.167 0.051) 5.346 3.594 ( 0.446 -10.014 -0.086) 10.024 3.761 ( -9.680 -1.884 3.174) 10.360 4.071 ( 3.328 2.587 -6.894) 8.081 4.354 ( -8.262 5.546 -1.882) 10.127 4.571 ( -2.057 13.195 6.208) 14.727 5.486 ( 1.935 -7.634 1.996) 8.124 5.555 ( 2.239 -9.483 -0.507) 9.757 5.802 ( -0.260 -11.129 4.124) 11.872 6.134 ( -1.196 -6.350 -4.719) 8.002 7.279 ( -4.279 -5.527 -3.767) 7.940 7.337 ( -2.794 -6.344 6.281) 9.354 7.455 ( -0.946 1.964 -1.458) 2.623 7.831 ( 10.190 2.664 -1.465) 10.633 8.190 ( 3.992 1.714 -3.755) 5.743 8.429 ( -3.852 8.241 3.074) 9.602 8.727 ( 0.834 -2.950 4.116) 5.132 8.801 ( -5.099 -4.568 -0.285) 6.852 9.011 ( -6.248 -0.699 -3.712) 7.301 9.300 ( 5.770 11.874 -2.457) 13.428 9.502 ( -3.789 -3.835 4.215) 6.843 10.259 ( 5.494 2.772 2.656) 6.702 10.555 ( -2.702 8.300 -0.921) 8.777 11.285 ( -1.610 6.072 -0.623) 6.313 11.825 ( -2.901 -1.807 -4.182) 5.401 12.292 ( 0.701 -1.339 -0.572) 1.616 13.793 ( -0.914 -0.116 2.922) 3.064 14.394 ( 0.917 -3.239 -2.973) 4.492 14.836 ( 0.697 -0.327 0.796) 1.107 15.020 ( -2.866 4.995 0.832) 5.819 17.928 ( 3.499 0.067 0.069) 3.500 18.589 ( -4.257 -0.312 -0.131) 4.271 19.016 ( 0.388 0.520 0.128) 0.661 19.630 ( 3.857 5.260 0.979) 6.596 ======================= Grid point 423 (184/324) ======================= q-point: (-0.43 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.460 ( 4.569 0.743 -2.609) 5.313 1.596 ( -5.702 0.676 2.354) 6.206 1.645 ( 0.652 0.653 -1.027) 1.380 2.088 ( 0.020 0.214 -0.175) 0.278 2.357 ( 5.811 0.043 -6.369) 8.622 2.924 ( 1.627 -2.465 -2.090) 3.618 3.079 ( -1.346 -0.703 -0.413) 1.573 3.228 ( 2.231 0.312 1.700) 2.822 3.463 ( 4.511 -0.324 -2.141) 5.004 3.713 ( -9.641 -2.250 3.698) 10.569 3.780 ( 0.370 -0.098 -0.969) 1.042 3.936 ( 1.673 4.610 -3.069) 5.786 4.327 ( 4.260 3.238 5.749) 7.854 4.420 ( -7.632 -3.803 2.106) 8.784 5.511 ( -2.495 4.437 3.424) 6.135 5.685 ( 2.427 -1.965 -1.740) 3.575 5.940 ( -0.328 -2.335 2.076) 3.142 6.177 ( 0.998 0.371 -3.701) 3.851 7.364 ( 0.361 0.757 -0.930) 1.252 7.373 ( -1.596 -1.716 -0.475) 2.391 7.471 ( -1.883 -5.943 1.578) 6.431 7.776 ( 8.841 6.987 -2.799) 11.611 8.196 ( 1.630 1.519 -1.761) 2.840 8.356 ( 0.159 -3.925 0.933) 4.038 8.714 ( -12.717 2.503 2.878) 13.277 8.891 ( 3.551 -5.676 3.165) 7.405 9.011 ( -6.995 -4.399 -7.572) 11.208 9.157 ( 10.857 7.697 2.301) 13.506 9.586 ( -2.539 -5.043 1.119) 5.756 10.162 ( -5.409 8.160 5.229) 11.099 10.487 ( 3.921 -1.285 -0.718) 4.188 11.221 ( -1.207 -0.800 -0.291) 1.477 11.855 ( 3.824 -2.028 -3.289) 5.436 12.306 ( 0.296 0.066 -0.373) 0.480 13.803 ( -0.857 -0.793 0.817) 1.425 14.450 ( 2.347 -2.796 -4.162) 5.537 14.834 ( 0.151 1.305 2.073) 2.454 14.964 ( -1.893 -0.538 0.918) 2.171 17.923 ( 0.200 1.458 -0.233) 1.490 18.600 ( -0.030 -1.974 -0.069) 1.976 19.016 ( 0.097 -0.499 -0.132) 0.525 19.563 ( -0.700 3.045 1.097) 3.312 ======================= Grid point 424 (185/324) ======================= q-point: (-0.36 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.455 ( 4.881 1.596 -2.617) 5.763 1.546 ( -5.496 2.176 1.712) 6.154 1.641 ( 0.214 -0.129 -0.329) 0.413 2.077 ( -0.606 0.691 -0.668) 1.136 2.323 ( 0.587 3.462 -4.003) 5.325 2.925 ( 3.885 4.530 -1.668) 6.196 3.029 ( -3.969 4.928 -3.312) 7.142 3.190 ( 5.144 1.723 -3.533) 6.473 3.480 ( 0.598 1.215 -3.061) 3.347 3.542 ( -6.814 8.791 -1.992) 11.300 3.868 ( 0.941 -5.123 6.068) 7.997 3.902 ( 1.476 2.083 0.841) 2.688 4.387 ( 6.449 -5.958 9.419) 12.876 4.552 ( -6.265 -9.178 1.893) 11.273 5.338 ( -3.000 12.607 2.835) 13.266 5.635 ( -0.167 7.010 -1.852) 7.252 5.892 ( -0.926 7.248 -1.975) 7.570 6.112 ( 3.168 6.709 -0.657) 7.449 7.251 ( 1.624 7.585 1.505) 7.902 7.442 ( -0.792 -1.866 0.819) 2.186 7.558 ( 6.325 0.373 -2.010) 6.647 7.726 ( -1.932 -3.971 -3.149) 5.424 8.122 ( 0.628 4.658 -1.968) 5.096 8.518 ( -1.768 -5.989 -0.051) 6.244 8.634 ( -4.033 -3.206 3.932) 6.481 8.996 ( 3.829 2.225 -3.595) 5.704 9.019 ( -8.836 -5.948 -3.721) 11.283 9.167 ( 11.311 -2.681 6.144) 13.149 9.634 ( -1.772 -0.376 -2.864) 3.388 10.026 ( -8.142 2.246 5.615) 10.143 10.589 ( 2.897 -6.539 2.642) 7.625 11.305 ( 0.481 -8.021 0.698) 8.066 11.910 ( 8.359 -1.123 -2.436) 8.779 12.288 ( 0.241 1.746 -0.601) 1.862 13.821 ( -2.132 -1.941 0.177) 2.889 14.491 ( 3.618 -1.687 -6.951) 8.016 14.799 ( -0.152 3.122 2.611) 4.073 15.031 ( -0.443 -6.423 1.607) 6.636 17.880 ( -2.048 2.215 -0.839) 3.131 18.652 ( 2.752 -2.348 0.448) 3.645 19.040 ( 1.212 -2.008 -0.730) 2.456 19.517 ( -5.819 0.491 1.736) 6.092 ======================= Grid point 425 (186/324) ======================= q-point: (-0.29 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.427 ( 4.821 3.345 -2.333) 6.315 1.470 ( -4.526 3.785 2.010) 6.233 1.647 ( 0.260 -0.432 -0.766) 0.918 2.050 ( -1.196 1.502 -1.024) 2.176 2.218 ( -4.859 5.476 0.520) 7.340 2.768 ( 2.171 12.427 -1.939) 12.763 2.854 ( 0.433 9.813 -4.570) 10.833 3.225 ( 4.157 -2.465 -2.663) 5.518 3.336 ( -8.625 5.239 -7.729) 12.711 3.450 ( 2.039 3.657 0.630) 4.234 3.835 ( 0.000 1.882 -3.553) 4.021 4.019 ( 6.208 -2.662 9.448) 11.614 4.567 ( 2.197 3.278 7.177) 8.191 4.634 ( -2.657 -4.945 10.428) 11.843 5.108 ( -2.199 6.763 -1.135) 7.202 5.424 ( -2.100 13.425 -2.457) 13.808 5.665 ( -2.175 13.172 -6.234) 14.734 5.964 ( 4.434 11.001 2.610) 12.144 7.110 ( -0.234 8.595 1.988) 8.825 7.442 ( -2.056 1.098 1.170) 2.608 7.529 ( 4.800 2.284 -4.291) 6.832 7.878 ( 1.575 -10.748 -2.106) 11.065 8.025 ( 0.629 5.482 -0.490) 5.539 8.504 ( -9.312 -0.471 1.175) 9.398 8.781 ( 5.431 -0.203 3.523) 6.477 8.953 ( 2.396 -3.106 -8.950) 9.772 9.088 ( -2.812 -5.784 0.536) 6.454 9.354 ( 7.785 -7.768 7.013) 13.043 9.571 ( -3.652 3.356 -0.438) 4.979 10.047 ( -6.514 -6.710 -1.080) 9.414 10.764 ( 1.641 -8.893 6.212) 10.971 11.515 ( 2.776 -12.290 1.962) 12.751 11.952 ( 9.281 1.201 -2.913) 9.802 12.242 ( 0.223 2.842 -0.784) 2.957 13.866 ( -3.805 -4.564 1.482) 6.124 14.506 ( 5.814 -0.068 -10.179) 11.722 14.733 ( -1.267 4.327 2.280) 5.053 15.195 ( 0.781 -9.891 1.932) 10.108 17.822 ( -2.715 1.941 -1.481) 3.651 18.709 ( 2.813 -1.825 0.995) 3.498 19.105 ( 4.480 -3.696 -1.353) 5.964 19.495 ( -11.206 -2.076 2.744) 11.722 ======================= Grid point 426 (187/324) ======================= q-point: (-0.21 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.354 ( 2.856 6.789 1.022) 7.435 1.378 ( -1.753 4.306 1.965) 5.047 1.648 ( 0.666 0.296 -1.880) 2.016 1.996 ( -1.726 3.257 -1.527) 3.990 2.085 ( -9.017 5.643 5.426) 11.941 2.504 ( 0.071 14.264 -2.043) 14.410 2.674 ( 5.375 8.902 -4.258) 11.237 3.142 ( -8.931 6.999 -11.601) 16.227 3.292 ( 1.004 -1.919 1.249) 2.500 3.410 ( 4.707 2.637 2.832) 6.093 3.790 ( 1.210 2.533 -5.669) 6.326 4.055 ( 5.136 6.959 5.489) 10.244 4.257 ( -2.251 22.441 12.917) 25.990 4.769 ( 5.785 2.192 4.029) 7.383 5.006 ( -8.074 8.684 -4.919) 12.838 5.149 ( 0.678 8.436 -2.366) 8.788 5.456 ( -2.339 2.325 -2.446) 4.106 5.785 ( 3.620 10.286 3.644) 11.497 6.931 ( -2.047 10.205 1.107) 10.467 7.414 ( -2.024 0.576 0.247) 2.119 7.501 ( -0.927 0.775 -4.344) 4.509 7.911 ( 0.888 5.435 1.006) 5.598 8.128 ( 9.992 -11.917 -1.331) 15.608 8.439 ( -7.413 5.058 3.383) 9.591 8.738 ( -2.932 -0.266 -7.066) 7.654 9.014 ( -1.429 -1.260 4.263) 4.669 9.244 ( 4.889 -7.623 -0.677) 9.081 9.453 ( 7.415 2.523 -4.657) 9.113 9.617 ( -3.368 -9.767 12.765) 16.422 10.170 ( -4.804 -10.373 -7.255) 13.540 10.963 ( 1.272 -8.640 7.692) 11.638 11.782 ( 4.962 -12.433 2.711) 13.659 11.923 ( 7.211 5.132 -5.124) 10.227 12.188 ( -0.189 2.623 -0.487) 2.675 13.971 ( -5.270 -7.568 5.477) 10.726 14.480 ( 10.320 3.512 -13.148) 17.080 14.645 ( -3.774 3.394 0.365) 5.089 15.410 ( 0.906 -11.408 1.862) 11.594 17.777 ( -2.412 0.721 -1.933) 3.174 18.754 ( 1.517 -1.506 1.181) 2.442 19.217 ( 8.776 -4.983 -1.508) 10.204 19.494 ( -16.578 -4.260 3.982) 17.574 ======================= Grid point 427 (188/324) ======================= q-point: (-0.14 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.230 ( 1.597 8.427 7.372) 11.309 1.288 ( 0.378 6.128 3.587) 7.111 1.622 ( 0.864 2.209 -3.615) 4.324 1.880 ( -3.369 7.499 -2.950) 8.735 1.949 ( -10.423 5.775 8.854) 14.845 2.271 ( 0.885 8.843 -2.336) 9.189 2.553 ( 8.456 6.692 -2.829) 11.148 2.871 ( -7.416 13.767 -9.718) 18.411 3.315 ( -2.709 0.427 6.380) 6.944 3.416 ( 5.060 0.857 2.336) 5.639 3.624 ( 3.037 20.095 3.760) 20.668 3.804 ( -1.904 9.134 -2.775) 9.734 4.017 ( 4.858 13.182 7.623) 15.984 4.548 ( 1.465 17.964 -15.217) 23.588 4.665 ( -5.625 14.811 -4.371) 16.435 5.186 ( -0.925 -5.246 4.895) 7.234 5.490 ( 5.238 -1.462 5.397) 7.662 5.684 ( -2.994 0.432 1.528) 3.389 6.719 ( -2.162 11.071 0.306) 11.284 7.360 ( 0.873 6.359 1.640) 6.625 7.489 ( -7.545 -4.300 -5.470) 10.263 7.841 ( 4.366 3.298 -0.819) 5.532 8.268 ( -4.163 9.160 4.214) 10.908 8.420 ( 11.359 -12.589 -0.622) 16.967 8.755 ( -7.442 -6.295 -8.479) 12.919 8.990 ( -6.471 5.401 8.321) 11.844 9.301 ( 4.224 0.957 -4.588) 6.310 9.523 ( 10.365 -5.103 -0.703) 11.575 9.828 ( -4.180 -8.912 13.645) 16.825 10.331 ( -0.117 -10.797 -9.875) 14.632 11.136 ( 0.513 -6.652 6.543) 9.345 11.815 ( 4.725 7.112 -6.649) 10.822 12.028 ( 6.642 -9.161 2.037) 11.497 12.137 ( -1.578 1.859 -0.471) 2.484 14.038 ( -3.877 4.291 4.539) 7.352 14.408 ( 10.272 6.276 -6.873) 13.861 14.646 ( -3.631 -10.278 -4.752) 11.892 15.633 ( 0.185 -11.096 1.864) 11.253 17.763 ( -1.787 -1.066 -2.069) 2.934 18.793 ( 0.843 -1.657 1.142) 2.182 19.368 ( 11.343 -5.789 -1.296) 12.800 19.506 ( -21.065 -5.720 5.487) 22.506 ======================= Grid point 428 (189/324) ======================= q-point: (-0.07 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.101 ( 1.921 9.762 10.957) 14.801 1.170 ( -0.917 9.161 12.004) 15.128 1.539 ( -0.252 5.055 -6.642) 8.351 1.691 ( -1.851 7.633 -7.171) 10.636 1.814 ( -8.022 7.231 13.357) 17.177 2.162 ( 1.164 3.560 -2.527) 4.519 2.436 ( 5.563 13.114 -3.738) 14.727 2.582 ( 2.530 6.769 -0.269) 7.231 3.218 ( 0.450 18.867 8.212) 20.581 3.321 ( -4.960 3.103 6.554) 8.785 3.411 ( -0.137 2.984 2.099) 3.651 3.670 ( 5.069 6.971 -2.108) 8.873 3.782 ( 1.981 13.201 0.134) 13.350 4.153 ( -1.717 15.850 -19.342) 25.065 4.427 ( -2.708 6.221 -9.128) 11.373 5.268 ( -1.422 -2.207 5.629) 6.211 5.572 ( 8.523 -1.334 6.399) 10.741 5.725 ( -8.172 -6.081 1.457) 10.290 6.503 ( -1.018 10.764 -0.096) 10.812 7.223 ( -0.060 7.817 1.122) 7.897 7.513 ( -5.376 -2.209 -2.911) 6.501 7.801 ( 2.876 3.321 -4.498) 6.287 8.160 ( -2.746 -0.083 5.806) 6.423 8.654 ( 8.002 -4.254 -0.951) 9.112 8.735 ( -8.869 17.209 -1.567) 19.423 8.859 ( -2.250 -10.422 -5.905) 12.188 9.339 ( 1.751 -4.124 -0.294) 4.490 9.659 ( 8.928 -2.992 1.398) 9.519 9.960 ( -7.934 -3.196 14.870) 17.155 10.519 ( 9.171 -10.270 -10.541) 17.340 11.258 ( -0.009 -4.633 3.027) 5.534 11.686 ( 2.452 5.803 -6.141) 8.798 12.109 ( 0.940 -0.680 0.474) 1.253 12.208 ( 3.763 -5.907 0.284) 7.009 13.749 ( 2.467 24.052 -5.515) 24.800 14.305 ( 6.058 6.740 -2.597) 9.427 14.990 ( -5.158 -25.717 1.610) 26.278 15.829 ( -0.596 -8.848 2.004) 9.091 17.783 ( -1.200 -2.415 -1.960) 3.334 18.835 ( 1.339 -1.852 1.185) 2.574 19.487 ( -21.693 -6.392 2.524) 22.755 19.569 ( 8.497 -5.393 3.667) 10.711 ======================= Grid point 431 (190/324) ======================= q-point: ( 0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.021 ( 9.987 0.000 11.571) 15.285 1.135 ( 11.424 0.000 17.270) 20.707 1.433 ( 7.470 0.000 -9.318) 11.943 1.477 ( 6.125 0.000 -10.652) 12.288 1.852 ( 2.920 0.000 15.190) 15.468 2.051 ( -1.411 -0.000 -0.221) 1.429 2.205 ( 9.071 0.000 -7.414) 11.715 2.623 ( -3.690 -0.000 0.177) 3.694 2.993 ( 6.939 0.000 2.942) 7.537 3.147 ( -8.650 -0.000 -0.503) 8.665 3.183 ( -6.119 -0.000 7.533) 9.705 3.330 ( 1.111 0.000 -6.883) 6.972 3.621 ( 3.800 0.000 1.023) 3.935 3.896 ( 11.058 0.000 -6.829) 12.997 4.147 ( -6.467 -0.000 -3.050) 7.150 5.298 ( -4.559 -0.000 2.414) 5.159 5.462 ( -17.307 -0.000 -1.550) 17.376 5.977 ( 2.992 0.000 5.665) 6.406 6.243 ( 2.265 0.000 -0.075) 2.266 7.024 ( -2.106 -0.000 -0.257) 2.122 7.585 ( 9.947 0.000 3.424) 10.520 7.734 ( 4.842 0.000 0.263) 4.849 8.039 ( 2.554 0.000 -0.212) 2.563 8.336 ( -3.052 -0.000 5.019) 5.874 8.662 ( 1.646 0.000 0.715) 1.794 9.262 ( 7.444 0.000 -4.493) 8.694 9.405 ( -6.749 -0.000 -0.086) 6.749 9.759 ( 5.037 0.000 -0.152) 5.039 10.017 ( -7.141 -0.000 10.358) 12.581 10.822 ( 9.531 0.000 -18.586) 20.887 11.296 ( -3.611 -0.000 -6.787) 7.688 11.536 ( -0.078 -0.000 -4.999) 4.999 12.305 ( -0.781 -0.000 -0.206) 0.808 12.655 ( -0.128 -0.000 0.159) 0.204 12.671 ( 9.505 0.000 -7.785) 12.286 14.335 ( 14.739 0.000 -6.828) 16.244 15.225 ( -38.526 -0.000 10.264) 39.870 16.024 ( -2.828 -0.000 1.331) 3.126 17.874 ( 5.508 0.000 1.373) 5.677 18.977 ( 1.836 0.000 2.716) 3.278 19.138 ( -14.251 -0.000 5.214) 15.175 20.147 ( 17.965 0.000 10.157) 20.638 ======================= Grid point 432 (191/324) ======================= q-point: ( 0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.197 ( 7.310 -8.333 11.061) 15.660 1.299 ( 11.416 -4.492 10.172) 15.937 1.465 ( 8.779 -1.294 -8.242) 12.111 1.519 ( 5.557 -4.146 -6.614) 9.582 1.920 ( 3.045 -1.074 10.077) 10.582 2.088 ( 0.398 -4.082 -1.316) 4.308 2.293 ( 8.191 -7.022 -7.139) 12.936 2.669 ( 1.496 -5.683 0.479) 5.896 3.045 ( -9.548 -4.427 4.052) 11.277 3.136 ( -7.830 -4.455 -1.848) 9.197 3.285 ( 2.618 -12.222 -15.228) 19.701 3.403 ( 6.912 -4.445 17.449) 19.287 3.745 ( 4.086 -8.836 1.549) 9.857 3.926 ( 8.018 -1.805 -12.928) 15.320 4.137 ( -5.354 -2.718 5.388) 8.067 5.279 ( -4.504 -0.116 1.363) 4.707 5.349 ( -18.697 1.339 -1.875) 18.839 5.949 ( 2.602 5.065 3.898) 6.901 6.345 ( 2.166 -8.204 0.512) 8.500 7.066 ( -2.641 -5.457 0.118) 6.064 7.633 ( 10.625 1.828 5.644) 12.170 7.779 ( 5.267 -1.983 -0.336) 5.638 8.108 ( -2.748 -0.778 -1.386) 3.175 8.410 ( 1.509 -10.737 7.703) 13.300 8.666 ( 0.669 1.363 -1.027) 1.833 9.191 ( 4.725 7.249 -2.216) 8.932 9.388 ( -2.886 0.211 -0.797) 3.002 9.644 ( -4.014 9.810 -3.228) 11.080 10.099 ( -1.424 -5.308 8.224) 9.891 10.754 ( 10.124 6.071 -18.766) 22.170 11.226 ( -5.775 2.863 -3.168) 7.182 11.513 ( -2.287 0.362 -4.551) 5.106 12.271 ( 1.681 6.642 -1.010) 6.926 12.352 ( 3.400 6.373 -1.563) 7.391 13.161 ( 0.570 -26.442 -7.041) 27.369 14.414 ( 13.504 -2.526 -8.486) 16.148 14.942 ( -33.220 11.746 12.784) 37.483 15.950 ( -3.769 6.125 1.409) 7.328 17.894 ( 7.150 1.722 1.730) 7.555 18.950 ( -8.675 2.352 5.513) 10.545 19.105 ( 0.204 0.816 1.194) 1.461 20.207 ( 15.250 6.002 9.566) 18.976 ======================= Grid point 433 (192/324) ======================= q-point: ( 0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.413 ( 3.256 -6.356 6.766) 9.837 1.462 ( 9.191 -5.552 -0.897) 10.775 1.510 ( 7.787 -2.229 -5.894) 10.017 1.630 ( 4.647 -5.148 4.361) 8.193 1.988 ( 3.099 -1.655 6.314) 7.225 2.182 ( 3.971 -5.315 -2.788) 7.197 2.464 ( 4.150 -9.034 -9.852) 13.996 2.853 ( 9.528 -9.447 3.311) 13.820 3.072 ( -12.893 -3.605 7.135) 15.170 3.227 ( -8.288 -8.116 -2.771) 11.926 3.514 ( 2.397 -15.450 -16.537) 22.758 3.695 ( 6.038 -15.669 14.728) 22.336 3.892 ( 7.824 -3.750 0.138) 8.677 4.027 ( 0.684 -10.100 -8.195) 13.024 4.288 ( -0.984 -14.416 6.543) 15.862 5.206 ( -15.452 3.759 1.997) 16.027 5.285 ( -6.302 -3.670 -3.552) 8.112 5.858 ( 1.477 6.574 2.581) 7.216 6.540 ( 2.001 -10.523 1.586) 10.828 7.185 ( -3.207 -8.041 1.088) 8.725 7.633 ( 9.115 6.660 7.300) 13.444 7.873 ( 5.035 -5.668 -1.590) 7.747 8.062 ( -2.117 1.513 -2.265) 3.449 8.576 ( -2.857 3.776 -3.679) 5.997 8.707 ( -0.376 -11.016 9.213) 14.365 9.079 ( 4.836 6.212 0.486) 7.887 9.340 ( 3.349 4.351 -3.387) 6.451 9.409 ( -11.814 8.168 -5.840) 15.505 10.192 ( 0.188 -1.766 9.101) 9.273 10.586 ( 9.805 11.137 -16.166) 21.943 11.125 ( -7.127 3.568 -0.173) 7.972 11.469 ( -5.747 0.585 -4.017) 7.036 12.161 ( 3.979 3.640 -1.861) 5.704 12.316 ( 1.352 2.209 -2.478) 3.584 13.568 ( -5.989 -19.139 -2.863) 20.258 14.434 ( -4.885 5.026 -7.123) 9.993 14.669 ( -4.612 4.105 9.370) 11.221 15.779 ( -4.463 9.905 1.381) 10.952 17.899 ( 8.321 2.372 1.384) 8.762 18.852 ( -12.025 3.565 5.084) 13.534 19.100 ( 5.306 1.670 -0.525) 5.588 20.155 ( 12.697 9.384 6.603) 17.114 ======================= Grid point 434 (193/324) ======================= q-point: ( 0.36 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.503 ( 5.693 0.184 -0.475) 5.716 1.529 ( 3.361 -2.570 -3.274) 5.350 1.611 ( 3.617 -3.414 -3.586) 6.132 1.823 ( 5.632 -9.606 10.127) 15.052 2.047 ( 2.830 -1.144 3.747) 4.834 2.318 ( 6.118 -7.255 -2.092) 9.718 2.610 ( 3.836 -8.307 -10.701) 14.080 3.079 ( 3.688 -6.311 7.206) 10.264 3.118 ( -5.102 -5.500 5.683) 9.411 3.288 ( -6.549 -4.353 -5.031) 9.335 3.735 ( 1.057 -9.562 -9.212) 13.320 3.890 ( -2.421 -1.948 3.147) 4.423 4.203 ( 3.471 -22.560 3.137) 23.040 4.297 ( 6.488 -20.202 -5.879) 22.017 4.655 ( 1.250 -20.444 4.974) 21.077 5.055 ( -13.676 4.802 2.731) 14.750 5.342 ( -3.136 -5.259 -2.164) 6.494 5.750 ( -1.148 4.472 0.948) 4.713 6.760 ( 1.856 -10.869 2.774) 11.370 7.315 ( -4.686 -6.592 1.972) 8.324 7.532 ( 5.911 9.496 5.973) 12.680 7.976 ( -4.804 0.822 -1.765) 5.184 8.045 ( 8.764 -4.410 -6.370) 11.697 8.494 ( -0.588 0.672 -2.311) 2.477 8.830 ( -3.667 1.107 10.941) 11.592 9.043 ( 3.986 1.845 5.216) 6.819 9.176 ( -10.266 6.543 -8.604) 14.907 9.271 ( 1.481 2.664 -6.687) 7.349 10.189 ( -0.228 7.794 6.071) 9.882 10.388 ( 10.498 7.642 -8.887) 15.735 11.013 ( -7.533 4.525 0.096) 8.788 11.420 ( -7.926 -0.920 -3.303) 8.636 12.143 ( 3.550 1.636 -4.028) 5.613 12.227 ( -1.097 5.419 -1.969) 5.869 13.780 ( -11.640 -7.309 7.082) 15.462 14.260 ( -5.098 3.101 -5.099) 7.848 14.721 ( 7.092 -2.614 0.574) 7.580 15.555 ( -4.868 11.325 1.212) 12.386 17.907 ( 8.793 1.714 0.873) 9.001 18.735 ( -11.544 3.567 3.334) 12.534 19.089 ( 5.094 2.111 -0.797) 5.572 20.045 ( 10.536 10.049 3.936) 15.083 ======================= Grid point 435 (194/324) ======================= q-point: ( 0.43 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.506 ( 5.974 1.593 -2.494) 6.667 1.574 ( -0.777 -1.825 -0.114) 1.987 1.654 ( 1.498 -1.157 -2.244) 2.936 2.065 ( 7.886 -8.912 5.415) 13.075 2.082 ( 2.523 -0.321 1.445) 2.925 2.496 ( 5.131 -8.671 -0.164) 10.077 2.762 ( 3.113 -8.892 -7.036) 11.758 3.132 ( -6.438 -1.174 2.788) 7.113 3.257 ( -0.386 -6.860 3.132) 7.551 3.362 ( 4.212 -5.739 -0.558) 7.141 3.795 ( 0.518 2.492 4.042) 4.777 3.922 ( -8.600 -6.602 -8.601) 13.839 4.546 ( -4.661 -8.788 -1.500) 10.060 4.754 ( 10.831 -21.833 -9.443) 26.137 4.935 ( -8.085 -0.583 5.622) 9.865 5.059 ( 0.814 -18.488 6.104) 19.487 5.400 ( 0.953 -2.056 4.607) 5.134 5.755 ( -4.432 -7.949 -3.518) 9.757 6.981 ( 1.836 -10.359 2.807) 10.888 7.336 ( -6.478 4.075 2.850) 8.166 7.442 ( -0.223 0.534 2.309) 2.381 7.889 ( 1.468 3.066 -4.358) 5.528 8.185 ( 9.487 -4.928 -4.338) 11.537 8.531 ( -4.332 -5.341 -1.073) 6.961 8.772 ( -3.131 5.779 9.844) 11.837 8.910 ( 3.197 12.051 0.353) 12.472 9.070 ( -7.333 1.530 -0.169) 7.492 9.264 ( -0.671 -4.078 -7.327) 8.412 9.941 ( 0.693 16.131 -0.160) 16.146 10.357 ( 10.469 2.931 -0.268) 10.874 10.865 ( -8.637 6.675 -1.762) 11.057 11.416 ( -5.170 -2.830 -1.482) 6.078 11.971 ( -4.605 11.209 -4.943) 13.088 12.219 ( 2.270 -1.931 -0.939) 3.125 13.808 ( -8.508 -0.185 10.418) 13.452 14.251 ( -0.812 -3.866 -6.397) 7.518 14.796 ( 5.348 -1.742 -0.248) 5.630 15.324 ( -4.842 10.508 0.912) 11.606 17.932 ( 8.339 0.709 0.544) 8.387 18.628 ( -10.156 2.505 1.691) 10.596 19.069 ( 3.563 2.147 -0.511) 4.191 19.918 ( 8.288 9.481 2.248) 12.792 ======================= Grid point 436 (195/324) ======================= q-point: ( 0.50 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.497 ( 5.177 1.488 -2.490) 5.934 1.590 ( -3.290 -0.782 1.789) 3.826 1.664 ( 0.708 -0.063 -1.999) 2.122 2.095 ( 1.068 0.141 1.065) 1.515 2.259 ( 11.105 -5.369 -1.836) 12.471 2.686 ( 1.267 -8.857 2.106) 9.192 2.922 ( 0.770 -8.173 -1.878) 8.421 3.124 ( -1.447 -1.139 -0.558) 1.924 3.417 ( 0.191 -9.256 1.128) 9.326 3.491 ( 6.790 -3.458 2.685) 8.079 3.725 ( -7.022 3.421 4.573) 9.052 3.988 ( -2.900 -6.555 -8.939) 11.458 4.461 ( -8.252 8.646 -4.785) 12.874 4.802 ( -3.342 8.542 2.644) 9.546 5.248 ( 8.629 -19.207 -3.452) 21.338 5.370 ( -0.123 -11.826 5.094) 12.877 5.570 ( -0.109 -13.082 6.906) 14.794 5.927 ( -2.996 -11.943 -5.181) 13.358 7.153 ( -2.363 -5.248 -3.066) 6.521 7.256 ( -3.722 -1.754 6.799) 7.947 7.452 ( -2.057 -0.762 0.402) 2.230 7.878 ( 7.190 -0.308 -2.317) 7.561 8.263 ( 8.190 1.067 -3.888) 9.129 8.578 ( -8.474 4.142 -1.474) 9.546 8.636 ( -5.148 0.116 2.105) 5.563 8.790 ( 5.700 3.636 5.348) 8.620 8.995 ( -5.564 2.480 -0.485) 6.111 9.333 ( -1.457 -4.854 -3.837) 6.357 9.654 ( 2.053 14.434 4.131) 15.154 10.349 ( 8.284 3.050 -0.766) 8.861 10.669 ( -8.976 7.732 -4.102) 12.537 11.409 ( 0.697 4.473 0.381) 4.543 11.770 ( -6.818 2.456 -4.111) 8.331 12.265 ( 1.764 -1.857 -0.842) 2.696 13.803 ( -3.180 0.311 6.795) 7.509 14.313 ( -0.428 -4.385 -3.852) 5.853 14.838 ( 3.200 -0.456 0.058) 3.233 15.126 ( -4.403 7.954 0.615) 9.112 17.961 ( 6.510 0.695 0.394) 6.559 18.556 ( -7.684 0.349 0.521) 7.710 19.044 ( 1.886 1.833 -0.097) 2.632 19.791 ( 5.680 8.420 1.274) 10.237 ======================= Grid point 437 (196/324) ======================= q-point: ( 0.57 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.491 ( 4.876 0.962 -2.554) 5.588 1.582 ( -5.108 0.123 2.679) 5.770 1.656 ( 0.749 0.485 -1.753) 1.966 2.096 ( 0.511 0.409 0.322) 0.730 2.364 ( 9.245 -1.376 -5.745) 10.971 2.834 ( -0.054 -6.198 -0.367) 6.209 3.040 ( -2.057 -3.764 1.712) 4.618 3.196 ( 5.008 -5.261 1.410) 7.399 3.542 ( 9.169 4.036 0.832) 10.052 3.576 ( -4.637 -6.672 0.897) 8.174 3.692 ( -7.079 -5.403 3.816) 9.688 4.058 ( 2.505 0.477 -7.431) 7.856 4.237 ( -9.675 3.036 -4.661) 11.160 4.588 ( -2.783 12.028 6.355) 13.886 5.518 ( 0.706 -4.360 3.868) 5.871 5.577 ( 3.602 -10.284 -2.456) 11.169 5.823 ( -1.111 -10.404 4.529) 11.402 6.095 ( -0.260 -7.701 -4.810) 9.084 7.197 ( -6.023 -6.674 -3.014) 9.482 7.364 ( -0.737 -4.396 6.327) 7.740 7.446 ( 1.142 0.780 -1.937) 2.380 7.935 ( 11.425 0.670 -1.597) 11.555 8.204 ( 2.904 4.382 -4.002) 6.607 8.413 ( -2.825 6.596 2.593) 7.630 8.646 ( -10.735 -2.568 -1.310) 11.116 8.843 ( 3.931 -3.131 3.995) 6.420 8.916 ( -7.162 1.152 -2.575) 7.697 9.358 ( 7.795 4.517 -1.904) 9.209 9.518 ( -1.422 0.534 9.037) 9.164 10.294 ( -1.097 6.453 0.243) 6.550 10.499 ( -3.286 3.143 -6.256) 7.734 11.276 ( -0.223 6.922 0.769) 6.968 11.789 ( 0.236 -5.036 -2.783) 5.758 12.297 ( 0.953 -1.010 -0.404) 1.446 13.803 ( -0.805 0.349 3.228) 3.345 14.382 ( 0.547 -3.975 -3.063) 5.047 14.852 ( 1.556 0.200 0.772) 1.749 14.991 ( -3.594 4.201 0.631) 5.565 17.964 ( 3.136 1.962 0.160) 3.702 18.546 ( -3.678 -2.403 -0.027) 4.394 19.022 ( 0.588 1.064 0.102) 1.220 19.670 ( 2.647 7.008 0.885) 7.543 ======================= Grid point 438 (197/324) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.495 ( 5.384 0.670 -2.958) 6.179 1.550 ( -5.757 1.080 2.289) 6.289 1.647 ( 0.837 0.456 -0.852) 1.279 2.087 ( 0.057 0.701 -0.334) 0.778 2.372 ( 4.195 2.104 -5.543) 7.263 2.929 ( 2.125 -3.820 -2.561) 5.066 3.054 ( -2.392 1.076 -0.806) 2.744 3.278 ( 5.757 2.190 0.325) 6.168 3.502 ( 4.759 2.278 -1.558) 5.501 3.633 ( -10.433 0.411 4.424) 11.339 3.786 ( 1.648 -3.263 -0.071) 3.657 3.930 ( 0.296 2.351 -1.528) 2.820 4.318 ( -6.237 -10.957 -3.520) 13.090 4.427 ( 0.902 5.023 9.247) 10.562 5.514 ( -1.472 5.455 4.074) 6.966 5.692 ( 1.333 -0.919 -2.368) 2.869 5.942 ( -1.258 -1.356 1.136) 2.171 6.172 ( 2.108 -1.274 -2.756) 3.696 7.335 ( -2.581 -9.644 -1.020) 10.035 7.375 ( 0.704 4.072 -0.377) 4.150 7.471 ( -0.461 -3.893 1.860) 4.339 7.855 ( 9.563 11.151 -3.995) 15.224 8.207 ( 2.728 1.263 -1.301) 3.275 8.360 ( -0.602 -5.579 0.630) 5.647 8.606 ( -11.660 1.080 3.712) 12.284 8.852 ( -6.743 -3.205 -7.143) 10.332 8.971 ( 2.166 -4.573 2.327) 5.570 9.302 ( 12.010 5.783 4.489) 14.065 9.586 ( -0.763 -3.553 3.815) 5.268 10.107 ( -9.094 8.548 1.760) 12.604 10.493 ( 0.282 -4.015 -4.493) 6.032 11.218 ( 0.109 -1.056 1.356) 1.722 11.890 ( 5.633 -4.278 -1.925) 7.331 12.308 ( 0.469 0.277 -0.210) 0.584 13.800 ( -0.774 0.193 0.965) 1.252 14.441 ( 1.363 -2.815 -4.693) 5.639 14.854 ( 1.125 1.263 1.968) 2.595 14.946 ( -2.633 -1.604 0.941) 3.223 17.923 ( 0.123 3.046 -0.320) 3.066 18.600 ( 0.076 -3.922 0.042) 3.923 19.016 ( 0.087 -0.427 -0.145) 0.459 19.562 ( -0.700 5.204 1.110) 5.367 ======================= Grid point 439 (198/324) ======================= q-point: (-0.29 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.494 ( 3.810 2.160 -1.727) 4.708 1.501 ( -2.586 1.278 -0.094) 2.886 1.644 ( 0.768 0.075 -0.246) 0.809 2.067 ( -0.343 1.156 -0.887) 1.498 2.299 ( -1.162 4.913 -2.447) 5.611 2.950 ( 1.314 3.614 -1.039) 3.983 2.974 ( -0.196 5.616 -4.696) 7.323 3.232 ( 6.620 2.693 -3.481) 7.949 3.427 ( -7.230 9.998 -2.090) 12.514 3.492 ( 0.016 1.141 -2.444) 2.697 3.870 ( -0.821 1.499 -0.750) 1.866 3.980 ( 4.367 -6.530 8.851) 11.834 4.476 ( -7.285 -10.215 7.729) 14.736 4.517 ( 4.502 -7.804 2.078) 9.245 5.334 ( -1.630 13.517 3.378) 14.028 5.616 ( -0.945 7.972 -2.402) 8.380 5.859 ( -1.823 8.837 -3.258) 9.593 6.147 ( 3.514 5.100 0.486) 6.212 7.267 ( 0.465 7.350 0.568) 7.387 7.438 ( -1.423 -1.775 1.409) 2.676 7.602 ( 4.023 -4.274 -1.434) 6.043 7.695 ( 0.299 1.470 -4.700) 4.934 8.139 ( 4.499 5.268 0.201) 6.930 8.462 ( -7.357 0.197 -0.148) 7.361 8.653 ( 0.170 -12.620 3.589) 13.122 8.876 ( -5.789 -4.151 -8.113) 10.796 9.038 ( 0.822 -0.128 2.263) 2.411 9.326 ( 11.815 -0.948 5.769) 13.182 9.610 ( -1.024 1.554 -1.023) 2.123 9.962 ( -8.476 1.478 2.554) 8.975 10.608 ( -0.935 -8.792 0.595) 8.862 11.324 ( 1.223 -8.763 1.997) 9.071 11.981 ( 7.425 -2.081 -1.834) 7.926 12.289 ( 0.402 1.896 -0.399) 1.978 13.800 ( -2.168 -1.056 0.341) 2.435 14.472 ( 1.806 -1.795 -7.335) 7.764 14.818 ( 0.527 3.498 2.273) 4.205 15.035 ( -0.727 -7.552 1.714) 7.778 17.858 ( -1.060 3.165 -0.900) 3.457 18.678 ( 1.705 -3.317 0.419) 3.753 19.047 ( 0.844 -2.956 -0.811) 3.179 19.476 ( -3.942 3.088 1.917) 5.362 ======================= Grid point 440 (199/324) ======================= q-point: (-0.21 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.437 ( -3.095 2.761 1.439) 4.390 1.473 ( 6.601 3.601 -3.104) 8.135 1.648 ( 1.019 -0.110 -0.809) 1.306 2.032 ( -0.750 1.970 -1.184) 2.417 2.172 ( -5.703 6.272 2.362) 8.800 2.775 ( 0.569 13.947 -1.139) 14.005 2.835 ( 2.038 7.031 -5.401) 9.097 3.209 ( -5.104 8.047 -6.063) 11.295 3.254 ( 3.017 -2.209 -2.281) 4.380 3.474 ( 1.501 1.152 0.573) 1.977 3.809 ( -0.252 2.436 -3.821) 4.539 4.134 ( 5.055 -2.602 7.736) 9.600 4.595 ( -4.211 3.130 8.748) 10.201 4.713 ( 3.196 -9.146 9.795) 13.778 5.075 ( -2.116 9.745 -1.735) 10.122 5.385 ( -2.070 14.017 -3.078) 14.500 5.599 ( -2.673 14.270 -6.015) 15.715 6.023 ( 3.709 10.182 2.264) 11.070 7.110 ( -1.422 9.314 1.318) 9.514 7.418 ( -3.356 2.384 0.241) 4.124 7.539 ( 2.971 3.102 -4.538) 6.248 7.880 ( 0.772 -11.494 -1.240) 11.587 8.080 ( 7.956 3.932 2.815) 9.311 8.413 ( -8.040 -0.965 -1.943) 8.328 8.790 ( -4.225 3.432 -1.947) 5.781 8.969 ( 6.446 -6.263 0.477) 9.000 9.058 ( -3.381 -8.000 -0.330) 8.691 9.485 ( 8.484 -6.931 6.680) 12.831 9.541 ( -1.796 3.429 -0.349) 3.886 9.971 ( -5.076 -5.429 -3.062) 8.038 10.802 ( -1.136 -10.715 5.307) 12.011 11.550 ( 0.704 -13.072 2.774) 13.381 12.019 ( 7.231 1.506 -3.646) 8.237 12.242 ( 0.481 2.928 -0.401) 2.994 13.835 ( -4.131 -4.462 1.954) 6.387 14.483 ( 2.688 -0.972 -10.085) 10.482 14.744 ( 0.510 5.343 1.888) 5.690 15.211 ( -0.052 -10.329 1.877) 10.498 17.795 ( -0.824 2.464 -1.423) 2.962 18.737 ( 1.596 -1.889 0.573) 2.539 19.134 ( 1.651 -5.738 -1.310) 6.113 19.420 ( -5.627 0.956 3.143) 6.516 ======================= Grid point 441 (200/324) ======================= q-point: (-0.14 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.373 ( -1.056 3.580 3.342) 5.010 1.411 ( 7.273 5.834 -2.150) 9.568 1.646 ( 1.509 0.739 -2.258) 2.815 1.968 ( -2.535 4.296 -0.485) 5.012 2.034 ( -7.737 5.815 6.445) 11.628 2.491 ( -0.712 14.296 -1.368) 14.379 2.710 ( 6.433 6.516 -4.454) 10.182 3.009 ( -3.469 8.961 -9.156) 13.273 3.297 ( -1.600 -1.521 1.448) 2.640 3.471 ( 3.030 0.948 2.934) 4.323 3.758 ( 0.939 1.565 -6.779) 7.020 4.122 ( 2.534 11.019 3.332) 11.787 4.345 ( 1.606 19.406 14.443) 24.244 4.845 ( 5.953 9.159 -1.528) 11.030 4.893 ( -8.436 9.904 -0.841) 13.037 5.129 ( -1.621 4.623 -2.870) 5.677 5.414 ( -3.339 -1.739 -1.040) 3.906 5.839 ( 2.834 11.149 2.441) 11.760 6.915 ( -2.251 10.615 1.232) 10.921 7.371 ( -3.930 -0.863 -2.095) 4.536 7.484 ( 0.555 3.972 -1.241) 4.198 7.941 ( 4.183 3.800 -0.613) 5.685 8.219 ( 4.419 -11.146 2.565) 12.261 8.393 ( -1.622 0.594 -0.138) 1.733 8.655 ( -3.093 3.940 -7.023) 8.626 9.013 ( -6.398 -0.946 6.958) 9.500 9.285 ( 4.671 -8.182 -1.941) 9.619 9.479 ( 1.779 0.418 -1.986) 2.699 9.696 ( 3.637 -8.346 10.106) 13.602 10.086 ( -1.473 -10.416 -8.077) 13.263 11.007 ( -1.599 -9.223 6.767) 11.550 11.785 ( -6.372 -9.254 3.211) 11.685 11.996 ( 11.912 1.782 -6.692) 13.779 12.187 ( 0.406 3.052 -0.189) 3.085 13.945 ( -6.896 -8.298 6.318) 12.503 14.469 ( 4.573 0.180 -13.973) 14.703 14.637 ( 0.690 6.676 1.424) 6.861 15.423 ( -0.554 -11.447 1.743) 11.592 17.753 ( 0.115 1.065 -1.718) 2.025 18.775 ( 1.666 -1.403 0.346) 2.205 19.247 ( -6.217 -6.551 -0.360) 9.038 19.418 ( 1.689 -1.658 3.828) 4.500 ======================= Grid point 442 (201/324) ======================= q-point: (-0.07 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.308 ( 3.934 6.675 7.168) 10.556 1.329 ( 4.978 5.244 0.803) 7.275 1.610 ( 1.546 3.401 -4.217) 5.634 1.813 ( -8.481 8.791 2.199) 12.411 1.927 ( -3.344 4.943 6.212) 8.615 2.268 ( 1.424 8.305 -2.491) 8.787 2.637 ( 9.719 4.650 -1.714) 10.910 2.763 ( -1.141 12.829 -9.403) 15.947 3.296 ( -7.206 0.265 5.492) 9.064 3.474 ( 1.707 1.942 2.317) 3.472 3.680 ( 4.462 12.579 0.856) 13.375 3.790 ( 0.217 14.404 2.688) 14.655 4.095 ( 2.858 15.894 3.806) 16.591 4.446 ( -0.647 20.705 -15.762) 26.030 4.612 ( -2.379 16.007 -0.838) 16.204 5.199 ( -2.225 -5.904 4.213) 7.586 5.535 ( -2.835 -9.127 3.313) 10.115 5.681 ( 1.205 6.690 1.670) 6.999 6.704 ( -1.327 10.938 0.947) 11.059 7.373 ( -0.409 7.286 0.944) 7.358 7.404 ( -3.560 -4.691 -2.052) 6.236 7.883 ( 6.110 4.255 -3.186) 8.099 8.233 ( -7.603 6.119 4.689) 10.828 8.556 ( 13.812 -11.008 0.407) 17.667 8.630 ( -5.438 -5.745 -8.519) 11.625 8.963 ( -8.896 6.811 8.859) 14.284 9.312 ( 3.655 1.131 -5.167) 6.429 9.588 ( 1.880 -7.541 -2.077) 8.045 9.884 ( -0.037 -6.342 12.774) 14.262 10.293 ( 4.967 -13.247 -9.722) 17.166 11.161 ( -3.032 -6.293 5.375) 8.814 11.762 ( -6.825 4.023 -3.198) 8.544 12.103 ( 3.926 -3.252 -2.636) 5.739 12.151 ( 6.915 -0.994 -0.455) 7.001 14.008 ( -7.518 4.151 4.664) 9.772 14.462 ( 9.752 3.684 -10.290) 14.648 14.579 ( -5.382 -8.837 0.020) 10.347 15.638 ( -1.505 -11.112 1.724) 11.345 17.748 ( 1.250 -0.705 -1.579) 2.134 18.816 ( 2.613 -1.716 0.155) 3.130 19.282 ( -19.299 -4.380 3.384) 20.077 19.546 ( 14.095 -5.480 2.583) 15.341 ======================= Grid point 446 (202/324) ======================= q-point: ( 0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.199 ( 11.244 0.000 9.336) 14.615 1.366 ( 13.249 0.000 10.046) 16.627 1.464 ( 10.083 0.000 -9.492) 13.848 1.489 ( 7.255 0.000 -3.847) 8.212 1.962 ( 4.095 0.000 8.427) 9.369 2.031 ( -2.117 -0.000 -0.254) 2.132 2.254 ( 8.878 0.000 -8.115) 12.028 2.592 ( -3.893 -0.000 2.808) 4.800 2.976 ( -7.786 -0.000 3.354) 8.477 3.043 ( -10.583 -0.000 -0.628) 10.601 3.131 ( 8.390 0.000 -23.342) 24.804 3.486 ( 10.318 0.000 23.932) 26.062 3.660 ( 3.318 0.000 -0.401) 3.342 3.895 ( 2.360 0.000 -16.833) 16.997 4.132 ( -1.623 -0.000 12.774) 12.877 5.219 ( -14.401 -0.000 -5.871) 15.552 5.291 ( -11.616 -0.000 5.229) 12.739 6.026 ( 1.130 0.000 2.896) 3.109 6.269 ( 2.861 0.000 -0.073) 2.862 6.996 ( -2.769 -0.000 -0.609) 2.836 7.738 ( 13.146 0.000 4.349) 13.846 7.803 ( 7.336 0.000 3.063) 7.949 8.071 ( 3.605 0.000 0.176) 3.609 8.348 ( -2.733 -0.000 8.025) 8.478 8.682 ( 1.610 0.000 -0.093) 1.613 9.267 ( -1.935 -0.000 -5.146) 5.498 9.335 ( -6.761 -0.000 0.467) 6.777 9.809 ( 4.719 0.000 -0.017) 4.719 9.999 ( -2.560 -0.000 2.314) 3.450 10.795 ( 9.845 0.000 -21.523) 23.667 11.217 ( -4.836 -0.000 -3.951) 6.245 11.498 ( -1.803 -0.000 -3.861) 4.261 12.296 ( -0.915 -0.000 0.212) 0.939 12.653 ( -0.241 -0.000 -0.268) 0.361 12.703 ( 8.394 0.000 -10.595) 13.517 14.433 ( 12.828 0.000 -9.599) 16.022 14.912 ( -35.372 -0.000 15.084) 38.454 15.993 ( -4.654 -0.000 1.478) 4.883 17.960 ( 8.459 0.000 2.696) 8.878 18.931 ( -14.686 -0.000 8.256) 16.848 19.141 ( 8.475 0.000 -1.056) 8.540 20.374 ( 11.808 0.000 11.728) 16.642 ======================= Grid point 447 (203/324) ======================= q-point: ( 0.29 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.342 ( 8.053 -5.449 8.405) 12.853 1.432 ( 9.342 -1.345 -4.505) 10.458 1.509 ( 9.027 -1.492 -6.149) 11.023 1.600 ( 10.200 -3.984 7.280) 13.149 2.004 ( 3.546 -0.534 5.490) 6.558 2.086 ( 1.221 -5.489 -1.409) 5.797 2.315 ( 5.240 -5.216 -8.856) 11.536 2.691 ( -0.062 -10.285 3.670) 10.920 2.968 ( -10.866 -2.479 6.410) 12.857 3.036 ( -8.642 -5.484 -2.309) 10.492 3.217 ( 10.111 -10.495 -21.589) 26.048 3.623 ( 9.649 -3.201 15.742) 18.740 3.801 ( 4.841 -9.962 2.894) 11.447 3.868 ( -0.686 -3.250 -13.181) 13.593 4.179 ( -0.120 -1.338 13.718) 13.784 5.111 ( -20.273 -0.392 -5.470) 21.001 5.253 ( -5.665 0.681 4.030) 6.986 5.981 ( 0.606 4.922 1.091) 5.078 6.373 ( 2.483 -8.225 0.661) 8.617 7.036 ( -3.051 -5.689 -0.064) 6.456 7.802 ( 12.906 1.500 5.947) 14.289 7.841 ( 6.745 0.626 1.666) 6.976 8.092 ( 0.466 1.667 -0.158) 1.738 8.458 ( -2.251 -9.417 8.362) 12.793 8.676 ( 2.302 1.112 -0.655) 2.639 9.173 ( -5.205 4.291 -3.521) 7.609 9.325 ( -8.090 -0.947 -1.152) 8.226 9.631 ( 5.564 14.342 -1.937) 15.505 10.121 ( -1.034 -6.827 3.031) 7.541 10.734 ( 10.511 4.979 -21.672) 24.596 11.152 ( -5.429 2.813 -1.603) 6.321 11.459 ( -3.088 1.533 -3.803) 5.133 12.278 ( 0.919 3.551 -1.140) 3.842 12.375 ( 3.323 8.699 -2.009) 9.526 13.120 ( 0.167 -23.775 -6.662) 24.691 14.450 ( 0.929 1.160 -8.561) 8.689 14.744 ( -18.153 4.592 13.976) 23.366 15.914 ( -4.900 6.030 1.558) 7.924 17.996 ( 9.561 1.980 2.786) 10.154 18.858 ( -14.826 2.160 7.933) 16.953 19.169 ( 9.503 1.639 -1.701) 9.792 20.395 ( 8.919 6.659 9.839) 14.856 ======================= Grid point 448 (204/324) ======================= q-point: ( 0.36 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.472 ( 4.146 -3.376 -0.533) 5.373 1.522 ( 4.981 -3.352 -0.434) 6.019 1.568 ( 9.793 -1.714 -5.417) 11.322 1.752 ( 7.477 -5.192 11.026) 14.298 2.056 ( 3.825 -1.029 3.730) 5.441 2.213 ( 5.735 -6.809 -3.143) 9.441 2.436 ( 2.867 -8.131 -10.134) 13.306 2.948 ( 1.922 -12.068 5.302) 13.321 2.997 ( -9.048 -4.784 6.317) 12.027 3.123 ( -7.931 -7.715 -2.382) 11.318 3.445 ( 4.179 -14.358 -16.098) 21.972 3.822 ( 6.376 -9.242 3.159) 11.664 3.958 ( 9.862 -9.790 -11.284) 17.900 4.022 ( -1.104 -8.280 12.585) 15.105 4.337 ( 0.027 -13.628 9.434) 16.575 5.002 ( -20.634 -0.653 -2.363) 20.779 5.246 ( -2.100 -1.730 0.730) 2.817 5.871 ( -0.538 6.797 0.246) 6.823 6.573 ( 2.269 -10.747 1.707) 11.116 7.157 ( -3.811 -8.011 1.431) 8.986 7.778 ( 8.831 9.135 6.329) 14.195 7.918 ( 4.340 -4.108 0.233) 5.981 8.047 ( 3.198 1.961 -2.745) 4.649 8.520 ( -4.372 2.058 -1.938) 5.207 8.769 ( 0.829 -7.482 8.266) 11.180 9.056 ( -6.932 3.276 -3.323) 8.357 9.249 ( -9.931 3.752 -0.473) 10.626 9.421 ( 11.760 11.129 -3.319) 16.528 10.222 ( -3.602 -3.666 5.974) 7.881 10.575 ( 9.333 9.810 -18.460) 22.894 11.057 ( -5.597 3.959 -0.388) 6.867 11.390 ( -4.035 2.068 -4.455) 6.357 12.191 ( 4.019 3.657 -2.263) 5.886 12.305 ( -0.687 3.289 -1.765) 3.795 13.494 ( -5.574 -18.020 -1.315) 18.909 14.307 ( -12.540 6.241 -0.390) 14.012 14.723 ( 5.069 -1.225 3.147) 6.091 15.739 ( -4.879 9.995 1.492) 11.222 18.007 ( 10.240 2.917 2.279) 10.888 18.752 ( -13.647 3.437 6.149) 15.358 19.166 ( 8.038 2.782 -1.936) 8.723 20.301 ( 7.632 9.934 6.240) 13.995 ======================= Grid point 449 (205/324) ======================= q-point: ( 0.43 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.536 ( 1.069 -2.078 -0.617) 2.417 1.558 ( 5.820 0.971 -1.553) 6.101 1.629 ( 3.752 -1.789 -3.032) 5.145 1.959 ( 7.891 -8.663 9.325) 14.976 2.094 ( 2.791 -0.357 1.363) 3.127 2.382 ( 8.448 -7.557 -1.985) 11.507 2.579 ( 2.777 -8.939 -9.331) 13.217 3.046 ( -9.472 -4.404 5.730) 11.914 3.133 ( -4.879 -5.798 -0.973) 7.640 3.261 ( 4.092 -8.606 3.285) 10.079 3.651 ( -4.090 -11.913 -12.226) 17.553 3.906 ( 1.386 3.223 5.061) 6.158 4.253 ( 3.335 -17.634 1.000) 17.974 4.348 ( 9.700 -21.887 -5.314) 24.522 4.701 ( 0.378 -19.995 6.354) 20.983 4.906 ( -17.372 -0.024 1.819) 17.467 5.318 ( 0.519 -6.416 -1.036) 6.520 5.734 ( -2.658 6.185 0.357) 6.741 6.798 ( 2.262 -10.973 2.381) 11.454 7.274 ( -6.391 -5.443 3.279) 9.012 7.612 ( 3.521 12.219 1.783) 12.840 7.934 ( 0.136 2.191 -2.009) 2.976 8.114 ( 9.851 -5.450 -3.418) 11.766 8.467 ( -2.523 0.127 -1.175) 2.787 8.869 ( -2.618 1.487 11.200) 11.597 8.977 ( -10.869 -1.274 -4.999) 12.032 9.122 ( -2.939 4.909 4.601) 7.342 9.288 ( 11.068 7.811 -7.921) 15.693 10.182 ( -4.535 9.086 0.362) 10.161 10.448 ( 9.813 2.387 -6.256) 11.880 10.929 ( -7.893 5.850 -2.022) 10.030 11.336 ( -3.509 -0.737 -3.896) 5.294 12.134 ( -0.542 7.236 -4.529) 8.554 12.214 ( 0.763 1.719 -0.428) 1.929 13.716 ( -9.648 -8.643 7.895) 15.169 14.183 ( -4.199 0.515 -3.933) 5.776 14.795 ( 6.606 -1.833 0.228) 6.860 15.512 ( -4.811 11.470 1.207) 12.496 18.014 ( 10.153 2.530 1.596) 10.584 18.635 ( -12.077 3.384 3.858) 13.123 19.140 ( 5.719 3.108 -1.605) 6.704 20.158 ( 6.627 10.547 3.583) 12.961 ======================= Grid point 450 (206/324) ======================= q-point: ( 0.50 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.544 ( 1.736 1.227 -0.593) 2.207 1.571 ( 1.512 -0.287 0.138) 1.545 1.655 ( 1.572 -0.628 -2.365) 2.909 2.106 ( 0.485 -0.062 2.023) 2.082 2.196 ( 11.771 -7.824 2.239) 14.310 2.552 ( 4.863 -7.057 -0.357) 8.578 2.747 ( 1.723 -9.679 -5.027) 11.042 3.070 ( -6.217 -2.501 0.621) 6.729 3.246 ( -1.424 -8.650 -0.523) 8.782 3.436 ( 3.046 -5.760 6.230) 9.015 3.765 ( -10.485 -6.490 -8.794) 15.146 3.851 ( 5.706 3.586 4.172) 7.926 4.476 ( -5.102 -3.537 -4.191) 7.490 4.788 ( 2.511 -11.658 -5.742) 13.235 4.901 ( -0.585 -14.779 1.367) 14.853 5.099 ( -1.024 -18.567 6.116) 19.576 5.446 ( 2.324 -4.573 4.384) 6.748 5.689 ( -4.371 -6.336 -2.458) 8.081 7.012 ( 1.420 -9.139 0.903) 9.293 7.270 ( -8.747 2.630 4.083) 10.005 7.456 ( 0.586 3.538 0.234) 3.594 7.908 ( 5.733 0.915 -2.704) 6.404 8.256 ( 8.617 -4.656 -3.555) 10.420 8.470 ( -5.577 -2.695 -1.756) 6.438 8.770 ( -5.786 7.963 3.937) 10.602 8.913 ( -3.226 3.489 4.847) 6.788 9.064 ( 0.909 5.473 4.614) 7.216 9.234 ( 4.357 -2.042 -7.157) 8.624 9.931 ( -1.626 13.345 -1.157) 13.493 10.452 ( 8.731 2.916 -1.332) 9.301 10.742 ( -10.846 7.448 -4.834) 14.017 11.379 ( -0.114 -5.437 -1.704) 5.699 11.890 ( -5.733 12.939 -3.380) 14.550 12.239 ( 2.539 -1.694 -0.923) 3.189 13.794 ( -6.982 -2.124 10.660) 12.918 14.206 ( -0.267 -4.649 -5.902) 7.518 14.850 ( 5.105 -0.728 -0.042) 5.157 15.279 ( -4.694 10.558 0.704) 11.576 18.027 ( 8.931 1.883 1.034) 9.186 18.534 ( -10.046 1.902 1.896) 10.399 19.102 ( 3.433 2.943 -0.906) 4.611 20.001 ( 5.137 10.134 2.037) 11.543 ======================= Grid point 451 (207/324) ======================= q-point: ( 0.57 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.525 ( 0.756 1.114 -0.334) 1.387 1.574 ( -0.302 0.411 0.957) 1.085 1.659 ( 1.065 0.051 -2.263) 2.502 2.108 ( 0.384 0.386 0.753) 0.929 2.365 ( 12.214 -3.001 -3.361) 13.018 2.701 ( -1.083 -7.588 1.475) 7.806 2.914 ( -0.307 -8.422 -1.106) 8.500 3.125 ( 2.609 -4.717 0.470) 5.411 3.419 ( -0.693 -9.341 0.474) 9.379 3.540 ( -4.567 -4.092 5.545) 8.267 3.726 ( 3.178 4.936 3.463) 6.816 3.907 ( -1.230 -7.228 -7.918) 10.792 4.348 ( -6.496 9.179 -6.533) 13.005 4.767 ( -6.096 6.096 2.176) 8.891 5.312 ( 7.778 -18.608 -4.466) 20.656 5.400 ( -0.150 -11.097 5.108) 12.217 5.607 ( -1.717 -11.389 7.326) 13.650 5.873 ( -0.839 -12.910 -4.910) 13.837 7.078 ( -6.139 -1.526 -3.455) 7.208 7.294 ( 0.877 -5.493 7.411) 9.266 7.438 ( -0.876 -0.464 -0.239) 1.019 7.942 ( 7.428 -1.743 -2.244) 7.953 8.315 ( 6.512 2.366 -4.458) 8.239 8.471 ( -8.230 -0.636 -3.265) 8.877 8.605 ( -3.631 5.764 2.163) 7.147 8.862 ( 0.709 2.217 6.384) 6.795 8.956 ( -1.593 5.882 0.638) 6.127 9.325 ( 2.663 -5.611 -0.514) 6.232 9.699 ( 1.010 11.040 4.877) 12.112 10.407 ( 4.784 5.275 -2.581) 7.575 10.526 ( -10.598 6.254 -7.959) 14.655 11.439 ( 3.963 5.303 0.823) 6.671 11.682 ( -5.765 -0.643 -2.890) 6.481 12.279 ( 1.748 -1.486 -0.683) 2.394 13.816 ( -2.546 -0.102 6.972) 7.423 14.287 ( 0.179 -5.163 -3.832) 6.432 14.875 ( 3.494 0.471 0.315) 3.539 15.082 ( -4.522 7.678 0.237) 8.914 18.030 ( 5.841 2.486 0.623) 6.379 18.485 ( -6.516 -1.126 0.604) 6.640 19.062 ( 1.612 2.452 -0.244) 2.945 19.845 ( 3.190 9.283 1.165) 9.884 ======================= Grid point 452 (208/324) ======================= q-point: ( 0.64 0.21 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.511 ( -1.297 0.263 0.278) 1.353 1.561 ( 0.950 1.272 0.022) 1.588 1.655 ( 1.003 0.257 -1.708) 1.997 2.101 ( 0.223 0.692 0.174) 0.748 2.414 ( 7.009 1.195 -5.566) 9.030 2.831 ( 0.931 -6.341 -2.160) 6.763 3.029 ( -1.581 -3.392 1.493) 4.029 3.266 ( 5.524 -5.723 2.008) 8.204 3.522 ( -8.063 -4.664 5.271) 10.702 3.649 ( 4.757 5.032 3.231) 7.641 3.668 ( 3.082 -6.818 0.508) 7.499 4.024 ( -0.007 -2.756 -7.620) 8.103 4.106 ( -8.497 3.774 -6.355) 11.262 4.593 ( -3.627 9.152 5.938) 11.497 5.546 ( -0.801 -3.112 4.392) 5.442 5.595 ( 3.269 -9.355 -3.024) 10.360 5.835 ( -2.127 -9.779 4.369) 10.920 6.072 ( 1.862 -8.829 -4.676) 10.162 7.127 ( -4.296 -8.158 -1.906) 9.415 7.391 ( -1.366 -1.570 5.027) 5.441 7.456 ( 2.856 -0.869 -1.321) 3.265 8.039 ( 10.204 -2.835 -1.917) 10.763 8.190 ( -0.134 7.559 -5.098) 9.119 8.404 ( -1.873 4.740 2.234) 5.564 8.539 ( -7.470 -1.249 -1.124) 7.656 8.834 ( -3.649 4.914 -2.672) 6.678 8.905 ( 1.140 -3.695 4.803) 6.166 9.434 ( 7.256 -1.861 0.900) 7.545 9.581 ( 1.031 3.946 10.972) 11.706 10.237 ( -8.272 9.740 -1.944) 12.926 10.420 ( -1.826 -0.629 -9.960) 10.145 11.287 ( 0.789 7.481 1.405) 7.652 11.790 ( 2.289 -7.928 -1.664) 8.418 12.305 ( 0.919 -0.735 -0.271) 1.207 13.817 ( -0.483 0.918 3.269) 3.429 14.369 ( 0.837 -4.191 -3.199) 5.339 14.877 ( 2.263 0.678 0.848) 2.510 14.955 ( -4.050 3.479 0.396) 5.353 17.992 ( 1.960 3.705 0.155) 4.194 18.515 ( -2.197 -4.150 0.078) 4.697 19.028 ( 0.463 1.508 0.063) 1.579 19.695 ( 1.076 8.045 0.845) 8.160 ======================= Grid point 453 (209/324) ======================= q-point: (-0.29 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.496 ( -4.448 0.295 1.101) 4.592 1.545 ( 5.247 1.411 -2.193) 5.860 1.651 ( 1.007 0.217 -0.816) 1.315 2.086 ( 0.117 1.049 -0.401) 1.130 2.372 ( 1.869 3.760 -4.544) 6.187 2.934 ( 1.878 -4.100 -2.622) 5.217 3.030 ( -0.017 2.105 -1.796) 2.767 3.326 ( 1.892 1.615 -0.223) 2.498 3.537 ( 0.969 6.005 0.549) 6.107 3.571 ( -2.225 5.408 1.441) 6.023 3.812 ( 2.227 -6.626 1.403) 7.130 3.929 ( 0.141 -1.641 0.940) 1.897 4.220 ( -8.073 -11.497 -3.313) 14.434 4.489 ( 0.932 1.572 6.984) 7.219 5.530 ( -0.687 5.886 4.202) 7.265 5.682 ( -0.289 -0.066 -2.369) 2.387 5.931 ( -1.874 -0.098 0.577) 1.964 6.184 ( 3.121 -2.689 -2.346) 4.741 7.308 ( -1.522 -11.528 -0.284) 11.631 7.379 ( 0.929 3.459 -0.862) 3.684 7.481 ( 0.022 -2.097 1.819) 2.776 7.901 ( 4.148 13.807 -5.374) 15.386 8.250 ( 6.750 -0.552 0.081) 6.773 8.343 ( -3.398 -5.887 -0.126) 6.798 8.525 ( -8.924 -0.004 4.663) 10.069 8.760 ( -0.870 -1.474 -7.773) 7.960 9.003 ( -0.084 -4.191 3.434) 5.419 9.456 ( 11.550 4.078 5.108) 13.272 9.609 ( -0.679 -1.158 4.557) 4.751 10.011 ( -9.813 7.540 0.662) 12.393 10.443 ( -2.794 -6.172 -6.487) 9.380 11.237 ( 1.265 -1.282 1.807) 2.551 11.935 ( 4.506 -5.644 -1.457) 7.368 12.312 ( 0.458 0.441 -0.099) 0.643 13.799 ( -0.531 1.216 1.044) 1.688 14.423 ( 1.239 -2.249 -4.720) 5.373 14.877 ( 0.465 1.829 1.654) 2.510 14.926 ( -1.896 -3.242 1.030) 3.894 17.922 ( 0.069 4.014 -0.355) 4.030 18.602 ( 0.147 -5.080 0.084) 5.083 19.016 ( 0.073 -0.263 -0.149) 0.311 19.562 ( -0.678 6.328 1.116) 6.461 ======================= Grid point 454 (210/324) ======================= q-point: (-0.21 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.461 ( -3.676 1.306 0.762) 3.975 1.544 ( 6.821 1.510 -3.348) 7.747 1.652 ( 1.124 0.067 -0.396) 1.193 2.060 ( 0.073 1.523 -0.878) 1.760 2.270 ( -2.209 5.840 -1.229) 6.364 2.927 ( -0.826 4.112 -2.114) 4.697 2.977 ( 2.851 5.508 -3.589) 7.166 3.244 ( -3.599 4.080 -1.673) 5.692 3.379 ( 4.069 10.046 -2.655) 11.159 3.479 ( 0.048 0.682 -2.219) 2.322 3.859 ( -0.276 2.651 -0.633) 2.739 4.081 ( 3.902 -7.830 8.665) 12.313 4.411 ( -8.484 -13.679 2.611) 16.307 4.592 ( 2.808 -7.988 5.068) 9.868 5.347 ( -0.212 14.326 3.732) 14.806 5.587 ( -1.474 8.551 -2.388) 9.000 5.819 ( -1.908 10.213 -2.781) 10.755 6.184 ( 2.928 4.133 -0.032) 5.066 7.271 ( -0.157 7.676 0.317) 7.684 7.430 ( -1.871 -1.223 1.719) 2.819 7.626 ( 2.551 -8.326 -1.109) 8.778 7.665 ( -0.322 5.564 -5.240) 7.650 8.219 ( 8.710 4.206 2.212) 9.922 8.379 ( -7.043 2.614 -1.904) 7.750 8.632 ( -8.602 -13.150 3.180) 16.032 8.834 ( 6.509 -7.179 -6.224) 11.517 9.049 ( -1.692 0.874 2.760) 3.353 9.475 ( 9.881 0.559 4.271) 10.779 9.584 ( -3.419 2.291 -1.113) 4.264 9.903 ( -4.607 0.601 2.093) 5.096 10.588 ( -2.976 -11.415 0.465) 11.806 11.348 ( 0.824 -8.784 1.915) 9.028 12.029 ( 3.803 -2.421 -2.257) 5.041 12.291 ( 0.400 1.940 -0.237) 1.995 13.783 ( -1.720 -0.140 0.773) 1.891 14.443 ( 1.328 -1.251 -6.700) 6.944 14.833 ( -0.215 3.252 1.625) 3.642 15.039 ( -0.491 -8.076 1.709) 8.269 17.847 ( 0.098 3.573 -0.824) 3.668 18.691 ( 0.411 -3.828 0.260) 3.859 19.045 ( -0.345 -3.058 -0.651) 3.146 19.463 ( -0.757 3.991 1.883) 4.477 ======================= Grid point 455 (211/324) ======================= q-point: (-0.14 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.420 ( -1.365 1.728 0.610) 2.285 1.527 ( 7.579 3.180 -3.571) 8.962 1.656 ( 1.472 0.121 -1.117) 1.852 2.022 ( 0.047 2.424 -0.910) 2.589 2.133 ( -5.450 6.617 3.732) 9.350 2.759 ( -2.619 14.546 -0.766) 14.800 2.827 ( 3.216 5.276 -5.329) 8.160 3.143 ( -1.794 6.921 -2.652) 7.626 3.281 ( 4.776 1.377 -2.810) 5.710 3.483 ( -0.306 -0.906 0.049) 0.958 3.788 ( 0.595 3.371 -2.836) 4.445 4.209 ( 1.680 -1.416 4.000) 4.563 4.610 ( -3.887 -4.702 9.577) 11.355 4.796 ( 1.587 -9.142 7.329) 11.824 5.051 ( -0.465 14.871 -0.914) 14.907 5.344 ( -1.797 14.849 -3.136) 15.283 5.541 ( -2.118 15.029 -3.845) 15.657 6.064 ( 2.089 9.705 0.637) 9.948 7.102 ( -1.883 9.781 1.795) 10.121 7.381 ( -3.458 3.782 -0.089) 5.125 7.540 ( 2.214 2.586 -3.442) 4.841 7.880 ( 0.536 -11.417 -1.012) 11.474 8.194 ( 6.967 4.639 3.550) 9.092 8.325 ( -2.346 -3.111 -4.450) 5.914 8.725 ( -5.874 0.616 0.081) 5.907 8.983 ( -7.230 1.355 2.098) 7.649 9.075 ( 8.327 -12.693 -1.215) 15.230 9.522 ( -1.738 2.543 -0.194) 3.087 9.590 ( 3.854 -7.371 3.644) 9.081 9.927 ( 1.503 -3.905 -2.332) 4.790 10.812 ( -2.929 -12.116 4.966) 13.418 11.559 ( -2.211 -12.047 2.356) 12.473 12.048 ( 3.304 0.797 -4.719) 5.815 12.246 ( 0.480 2.881 -0.265) 2.932 13.809 ( -3.781 -3.905 2.978) 6.198 14.444 ( 1.342 -0.517 -8.605) 8.724 14.761 ( 0.822 5.004 0.929) 5.156 15.217 ( -0.982 -10.311 1.700) 10.496 17.788 ( 1.159 2.602 -1.197) 3.090 18.749 ( 0.298 -2.277 0.122) 2.300 19.109 ( -4.774 -4.523 -0.281) 6.583 19.433 ( 4.077 0.294 2.521) 4.802 ======================= Grid point 456 (212/324) ======================= q-point: (-0.07 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.390 ( 1.458 1.631 1.432) 2.614 1.480 ( 8.573 5.163 -2.698) 10.365 1.649 ( 1.978 1.122 -2.825) 3.627 1.938 ( -4.761 6.886 3.353) 9.018 2.011 ( -3.624 4.344 5.129) 7.636 2.472 ( -1.312 13.272 -1.305) 13.400 2.741 ( 5.765 4.311 -6.185) 9.491 2.970 ( 3.858 10.435 -3.590) 11.690 3.281 ( -3.411 0.024 1.828) 3.870 3.497 ( -0.918 -0.320 0.803) 1.261 3.737 ( 2.538 1.478 -4.985) 5.786 4.149 ( -0.114 10.385 1.001) 10.433 4.455 ( 2.266 19.537 13.486) 23.847 4.780 ( -2.067 17.179 -10.693) 20.341 4.921 ( 1.613 9.604 6.768) 11.860 5.082 ( -4.004 0.036 -2.233) 4.584 5.380 ( -3.012 -3.172 0.902) 4.466 5.868 ( 0.916 11.092 0.290) 11.133 6.905 ( -1.567 10.595 2.336) 10.962 7.328 ( -2.321 -0.751 -0.475) 2.485 7.484 ( 0.231 4.342 -0.527) 4.380 7.984 ( 5.621 2.035 -1.998) 6.303 8.192 ( -8.665 -4.702 -1.377) 9.954 8.453 ( 10.973 -7.861 1.041) 13.539 8.601 ( -1.172 6.826 -3.154) 7.610 8.970 ( -9.824 -1.995 6.906) 12.173 9.307 ( 1.851 -6.963 -2.931) 7.779 9.465 ( -2.111 0.387 -2.500) 3.295 9.794 ( 3.846 -9.370 7.272) 12.469 10.060 ( 6.099 -9.746 -6.229) 13.076 11.015 ( -4.206 -9.176 5.552) 11.520 11.715 ( -9.905 -4.476 1.864) 11.028 12.057 ( 7.846 -2.628 -6.925) 10.790 12.193 ( 0.880 2.593 -0.205) 2.746 13.910 ( -8.179 -7.549 7.572) 13.462 14.417 ( 1.303 0.412 -11.405) 11.486 14.663 ( 3.168 6.334 -0.003) 7.082 15.420 ( -2.111 -11.293 1.551) 11.593 17.758 ( 2.644 1.092 -1.299) 3.142 18.791 ( 0.905 -2.078 -0.232) 2.278 19.140 ( -11.873 -3.064 1.802) 12.394 19.524 ( 11.794 -4.565 2.353) 12.864 ======================= Grid point 461 (213/324) ======================= q-point: ( 0.29 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.360 ( 8.635 0.000 8.089) 11.832 1.450 ( 7.290 0.000 -8.350) 11.084 1.524 ( 13.389 0.000 -9.731) 16.552 1.648 ( 10.543 0.000 15.063) 18.386 2.003 ( -2.966 -0.000 -0.568) 3.020 2.050 ( 5.791 0.000 3.549) 6.792 2.267 ( 4.368 0.000 -9.911) 10.831 2.580 ( -3.191 -0.000 4.999) 5.930 2.915 ( -9.268 -0.000 6.359) 11.240 2.925 ( -11.277 -0.000 -0.500) 11.288 3.126 ( 18.960 0.000 -23.227) 29.983 3.683 ( 2.419 0.000 -1.550) 2.873 3.734 ( 11.874 0.000 8.380) 14.534 3.789 ( -4.845 -0.000 -1.823) 5.177 4.230 ( 1.553 0.000 15.531) 15.609 4.982 ( -21.522 -0.000 -5.513) 22.216 5.243 ( -5.872 -0.000 4.815) 7.594 6.036 ( -0.815 -0.000 -0.202) 0.839 6.299 ( 2.951 0.000 -0.040) 2.951 6.961 ( -2.844 -0.000 -0.888) 2.979 7.845 ( 7.891 0.000 -1.841) 8.103 7.970 ( 13.506 0.000 10.366) 17.026 8.115 ( 4.253 0.000 0.705) 4.311 8.379 ( -3.155 -0.000 11.285) 11.717 8.690 ( 0.605 0.000 -1.385) 1.511 9.154 ( -11.257 -0.000 -6.366) 12.932 9.275 ( -5.624 -0.000 1.329) 5.779 9.854 ( 3.904 0.000 0.057) 3.904 10.011 ( 3.968 0.000 -1.322) 4.182 10.756 ( 11.237 0.000 -25.548) 27.910 11.150 ( -4.482 -0.000 -2.034) 4.922 11.450 ( -3.485 -0.000 -2.528) 4.305 12.289 ( -0.856 -0.000 0.598) 1.044 12.647 ( -0.313 -0.000 -0.655) 0.726 12.719 ( 7.703 0.000 -10.486) 13.012 14.433 ( -5.429 -0.000 -5.881) 8.004 14.738 ( -12.652 -0.000 12.075) 17.490 15.951 ( -5.276 -0.000 1.799) 5.574 18.079 ( 10.549 0.000 3.444) 11.097 18.828 ( -15.185 -0.000 9.022) 17.663 19.234 ( 10.202 0.000 -1.886) 10.375 20.530 ( 4.482 0.000 10.748) 11.645 ======================= Grid point 462 (214/324) ======================= q-point: ( 0.36 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.445 ( 5.646 -1.847 0.534) 5.964 1.484 ( 7.249 -2.850 -2.043) 8.052 1.583 ( 12.443 -1.215 -6.193) 13.952 1.762 ( 6.384 -1.880 12.821) 14.445 2.052 ( 1.221 -4.475 0.943) 4.733 2.105 ( 3.762 -3.444 -1.555) 5.332 2.295 ( 3.214 -4.550 -8.775) 10.394 2.708 ( -1.822 -12.244 4.997) 13.349 2.908 ( -8.544 -2.335 5.695) 10.530 2.933 ( -8.006 -6.086 -1.006) 10.106 3.226 ( 13.597 -7.212 -17.761) 23.502 3.734 ( 7.201 -4.175 -8.342) 11.784 3.781 ( 0.778 -6.852 -6.936) 9.781 3.927 ( 4.225 -7.414 17.200) 19.200 4.274 ( 0.055 0.335 14.715) 14.719 4.860 ( -21.452 -0.841 -4.304) 21.896 5.230 ( -3.474 0.065 4.288) 5.519 5.975 ( -1.255 4.702 -1.821) 5.196 6.403 ( 2.353 -8.340 0.714) 8.695 7.004 ( -2.947 -5.907 -0.137) 6.603 7.890 ( 6.253 -1.293 -1.584) 6.579 7.992 ( 10.608 5.886 6.577) 13.800 8.118 ( 3.732 2.891 2.102) 5.167 8.469 ( -5.173 -4.545 7.709) 10.336 8.700 ( 1.952 -2.328 0.430) 3.068 9.056 ( -10.007 2.065 -3.850) 10.920 9.247 ( -6.055 0.965 1.199) 6.248 9.707 ( 8.979 12.602 -0.602) 15.486 10.117 ( -1.509 -5.687 -0.170) 5.886 10.697 ( 10.882 4.384 -25.332) 27.917 11.095 ( -4.105 2.640 -0.557) 4.912 11.402 ( -3.449 1.980 -3.260) 5.142 12.277 ( 0.219 1.995 -0.707) 2.128 12.396 ( 2.961 9.904 -2.012) 10.531 13.084 ( 0.520 -21.670 -5.553) 22.376 14.334 ( -14.889 3.730 1.097) 15.388 14.737 ( 1.795 -0.582 4.448) 4.831 15.872 ( -5.017 5.922 1.905) 7.992 18.124 ( 11.269 2.249 3.314) 11.960 18.757 ( -14.564 2.241 8.504) 17.014 19.255 ( 8.938 2.304 -2.165) 9.481 20.512 ( 2.743 6.481 8.220) 10.821 ======================= Grid point 463 (215/324) ======================= q-point: ( 0.43 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.505 ( 4.249 -2.104 -1.955) 5.129 1.569 ( 3.450 -2.234 1.092) 4.253 1.633 ( 8.397 0.131 -4.386) 9.474 1.891 ( 5.293 -5.514 10.730) 13.174 2.101 ( 1.014 -0.556 0.515) 1.266 2.257 ( 6.902 -9.481 -4.044) 12.405 2.412 ( 4.563 -7.545 -7.282) 11.435 2.921 ( -9.878 -6.294 4.656) 12.604 2.978 ( -2.274 -7.308 0.977) 7.716 3.068 ( -2.173 -12.901 3.085) 13.441 3.377 ( -0.489 -9.936 -13.223) 16.548 3.884 ( 8.883 -8.362 -5.927) 13.563 3.998 ( 10.654 -15.466 -7.866) 20.361 4.118 ( 1.131 -4.462 14.241) 14.966 4.390 ( -2.994 -12.403 9.672) 16.011 4.775 ( -19.391 -2.355 -1.565) 19.596 5.246 ( 0.332 -1.898 2.886) 3.470 5.851 ( -2.319 6.687 -2.052) 7.369 6.607 ( 2.219 -11.071 1.628) 11.408 7.126 ( -4.079 -7.777 2.031) 9.013 7.861 ( 3.590 10.124 -0.908) 10.780 7.960 ( 3.177 0.750 0.966) 3.405 8.104 ( 7.913 0.444 0.070) 7.925 8.465 ( -4.933 1.171 -0.212) 5.074 8.809 ( -1.679 -6.023 4.154) 7.507 8.964 ( -5.714 2.899 1.853) 6.670 9.178 ( -5.265 3.268 1.706) 6.428 9.531 ( 12.108 11.407 -2.273) 16.789 10.195 ( -7.177 -3.668 3.533) 8.801 10.548 ( 9.400 7.200 -20.704) 23.851 10.999 ( -5.158 5.419 -0.946) 7.541 11.334 ( -1.265 2.275 -4.434) 5.142 12.212 ( 2.731 3.659 -2.386) 5.152 12.285 ( -1.098 4.658 -0.831) 4.857 13.440 ( -3.984 -17.337 0.190) 17.790 14.190 ( -10.800 3.752 1.947) 11.598 14.794 ( 5.951 -1.881 0.529) 6.264 15.700 ( -4.494 10.059 1.764) 11.158 18.136 ( 11.402 3.518 2.737) 12.243 18.652 ( -13.322 3.565 6.528) 15.258 19.231 ( 6.656 3.608 -2.333) 7.923 20.391 ( 2.981 9.612 5.057) 11.263 ======================= Grid point 464 (216/324) ======================= q-point: ( 0.50 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.541 ( -0.849 -0.610 1.772) 2.057 1.604 ( 4.195 0.460 -0.668) 4.273 1.649 ( 4.063 -0.101 -3.469) 5.344 2.090 ( 5.116 -7.404 9.369) 12.991 2.114 ( 2.169 -2.208 -2.918) 4.253 2.456 ( 7.827 -7.125 -2.834) 10.957 2.564 ( 4.031 -8.747 -5.329) 11.007 2.973 ( -9.070 -4.143 3.051) 10.427 3.084 ( -1.005 -6.901 -3.136) 7.646 3.327 ( 1.166 -10.330 6.878) 12.465 3.508 ( -8.541 -10.036 -10.806) 17.042 3.982 ( 7.244 2.076 3.614) 8.357 4.275 ( -0.943 -11.706 1.924) 11.901 4.431 ( 14.029 -22.562 -7.556) 27.622 4.719 ( -14.958 -14.143 3.069) 20.814 4.745 ( -4.945 -9.685 4.189) 11.653 5.340 ( 3.472 -6.492 1.152) 7.451 5.700 ( -3.954 6.467 -0.323) 7.587 6.836 ( 2.249 -10.916 1.841) 11.296 7.228 ( -7.219 -3.916 4.928) 9.578 7.621 ( 0.331 12.851 -4.246) 13.539 7.953 ( 4.292 1.518 -0.752) 4.614 8.191 ( 7.913 -4.643 -2.817) 9.597 8.425 ( -4.354 0.318 -1.266) 4.546 8.868 ( -4.844 2.848 1.138) 5.734 8.911 ( -3.549 -1.022 8.937) 9.670 9.114 ( -2.723 1.303 4.516) 5.433 9.374 ( 12.500 10.734 -5.979) 17.528 10.111 ( -7.014 8.229 -3.244) 11.289 10.505 ( 8.324 -1.120 -5.925) 10.279 10.824 ( -8.547 8.297 -3.488) 12.412 11.298 ( 0.577 -0.994 -3.887) 4.053 12.088 ( -2.892 10.380 -2.992) 11.183 12.229 ( 2.210 0.046 -0.669) 2.310 13.682 ( -6.750 -9.768 8.299) 14.486 14.125 ( -2.528 -1.101 -3.364) 4.350 14.857 ( 5.449 -1.460 -0.264) 5.647 15.473 ( -4.023 11.743 1.307) 12.482 18.133 ( 10.525 3.491 1.967) 11.262 18.536 ( -11.555 3.299 4.000) 12.665 19.181 ( 4.221 3.750 -1.878) 5.950 20.227 ( 2.887 10.488 3.023) 11.291 ======================= Grid point 465 (217/324) ======================= q-point: ( 0.57 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.533 ( -4.251 0.637 3.067) 5.281 1.605 ( 4.624 1.217 -1.555) 5.028 1.658 ( 1.769 -0.109 -2.546) 3.102 2.114 ( -0.693 -0.166 0.710) 1.006 2.332 ( 11.903 -7.966 1.506) 14.402 2.568 ( -0.709 -4.974 -2.154) 5.466 2.744 ( 1.708 -8.914 -1.898) 9.273 3.040 ( 1.069 -5.531 0.315) 5.642 3.227 ( -1.107 -9.570 -2.015) 9.842 3.483 ( -3.170 -3.370 9.294) 10.381 3.600 ( -9.349 -9.486 -9.183) 16.177 3.970 ( 11.508 5.118 4.250) 13.292 4.392 ( -4.873 -0.448 -6.085) 7.808 4.727 ( -9.516 -5.572 1.115) 11.084 4.942 ( 8.020 -22.634 -4.419) 24.417 5.113 ( -2.155 -19.296 4.051) 19.834 5.499 ( 2.528 -4.910 3.774) 6.689 5.639 ( -2.909 -6.196 -0.856) 6.899 7.011 ( -1.976 -4.543 -0.647) 4.997 7.232 ( -4.344 -1.663 6.175) 7.731 7.454 ( 0.174 3.455 -1.884) 3.939 7.958 ( 6.510 0.326 -2.361) 6.932 8.306 ( 5.407 -4.239 -5.438) 8.762 8.396 ( -5.747 -0.704 -1.951) 6.110 8.740 ( -2.562 7.890 3.074) 8.847 8.921 ( -3.874 1.592 7.966) 8.999 9.102 ( -0.361 4.934 6.484) 8.156 9.270 ( 9.621 0.972 -5.484) 11.117 9.894 ( -3.339 9.397 -2.324) 10.239 10.515 ( 5.697 3.610 -3.660) 7.673 10.594 ( -10.110 9.023 -4.882) 14.404 11.382 ( 2.497 -7.941 -2.287) 8.633 11.819 ( -4.385 14.216 -1.808) 14.987 12.257 ( 2.058 -1.478 -0.882) 2.683 13.799 ( -4.961 -3.221 10.587) 12.127 14.173 ( 1.139 -5.202 -5.842) 7.905 14.898 ( 4.055 -0.283 -0.083) 4.065 15.239 ( -3.710 10.960 0.593) 11.586 18.123 ( 7.814 3.404 1.239) 8.613 18.448 ( -8.441 1.083 1.916) 8.723 19.125 ( 2.209 3.382 -1.045) 4.172 20.050 ( 1.904 10.387 1.837) 10.718 ======================= Grid point 466 (218/324) ======================= q-point: ( 0.64 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.504 ( -5.088 0.555 2.746) 5.808 1.599 ( 4.149 1.356 -1.417) 4.589 1.657 ( 1.066 0.088 -2.210) 2.455 2.112 ( -0.368 0.255 0.475) 0.653 2.456 ( 8.942 0.426 -4.327) 9.943 2.687 ( -1.131 -8.582 0.097) 8.657 2.904 ( -0.608 -8.629 -0.692) 8.678 3.185 ( 6.542 -6.366 1.725) 9.290 3.406 ( -1.872 -9.515 -0.245) 9.701 3.502 ( -8.757 -2.095 7.942) 12.006 3.740 ( -2.885 -9.430 -2.882) 10.274 3.930 ( 11.603 5.866 -1.081) 13.047 4.242 ( -5.255 9.409 -8.441) 13.689 4.711 ( -7.361 3.376 3.225) 8.717 5.336 ( 1.073 -16.610 -3.000) 16.913 5.438 ( 2.860 -12.571 2.351) 13.105 5.625 ( -3.386 -9.989 7.105) 12.717 5.853 ( 2.618 -13.177 -4.373) 14.128 7.003 ( -4.974 -1.713 -1.562) 5.488 7.352 ( 1.356 -5.489 6.461) 8.585 7.429 ( 0.071 -0.982 -1.092) 1.471 7.994 ( 5.283 -2.018 -2.615) 6.231 8.317 ( 0.125 3.199 -8.856) 9.417 8.396 ( -2.503 -1.828 0.974) 3.249 8.594 ( -0.370 7.197 1.293) 7.321 8.888 ( -2.660 1.471 6.181) 6.888 8.967 ( 1.860 8.594 0.913) 8.840 9.375 ( 4.680 -5.831 3.088) 8.089 9.736 ( 0.193 6.682 4.649) 8.142 10.355 ( -10.776 8.289 -5.978) 14.852 10.426 ( 2.634 5.678 -6.858) 9.285 11.489 ( 4.124 9.797 0.527) 10.642 11.620 ( -2.754 -7.250 -2.050) 8.022 12.290 ( 1.181 -1.265 -0.622) 1.839 13.838 ( -1.678 -0.091 6.683) 6.891 14.271 ( 1.669 -5.603 -3.884) 7.018 14.911 ( 2.758 0.737 0.467) 2.893 15.039 ( -3.580 7.979 -0.025) 8.745 18.082 ( 2.971 4.323 0.622) 5.282 18.436 ( -3.290 -2.591 0.656) 4.239 19.073 ( 0.835 2.751 -0.311) 2.891 19.871 ( 0.503 9.678 1.120) 9.756 ======================= Grid point 467 (219/324) ======================= q-point: (-0.29 -0.71 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.480 ( -4.800 0.153 1.954) 5.185 1.590 ( 4.525 1.319 -1.661) 4.997 1.655 ( 0.928 0.004 -1.585) 1.836 2.103 ( -0.077 0.728 0.122) 0.742 2.432 ( 2.994 2.913 -5.131) 6.616 2.832 ( 3.159 -6.452 -3.614) 8.042 3.030 ( 0.185 -3.434 1.156) 3.628 3.305 ( -0.774 -2.753 0.457) 2.895 3.512 ( -2.869 -5.551 11.036) 12.682 3.646 ( -1.797 -10.423 1.371) 10.666 3.779 ( 10.424 8.200 1.006) 13.301 3.962 ( -2.901 -8.871 -6.834) 11.568 3.991 ( -4.586 8.923 -8.155) 12.929 4.592 ( -3.480 6.255 5.888) 9.269 5.546 ( -2.779 -6.090 1.362) 6.832 5.612 ( 1.908 -5.312 -0.003) 5.644 5.837 ( -2.410 -9.207 4.022) 10.332 6.073 ( 3.885 -9.359 -4.735) 11.185 7.087 ( -1.817 -9.398 -0.653) 9.594 7.400 ( -1.027 -0.234 2.355) 2.580 7.484 ( 2.577 -1.111 0.279) 2.820 8.096 ( -0.010 -7.939 -1.124) 8.018 8.148 ( 1.620 11.212 -6.428) 13.025 8.402 ( -1.149 3.195 2.091) 3.988 8.497 ( 1.078 0.934 -0.554) 1.530 8.803 ( 0.656 6.839 -2.384) 7.272 8.933 ( -1.648 -3.283 4.506) 5.814 9.508 ( 3.766 -4.116 2.972) 6.321 9.672 ( 3.450 4.002 10.187) 11.476 10.123 ( -9.621 9.187 -2.165) 13.478 10.336 ( -1.818 0.163 -10.383) 10.542 11.306 ( 1.363 7.282 0.968) 7.471 11.806 ( 2.457 -9.292 -1.595) 9.743 12.311 ( 0.486 -0.628 -0.278) 0.841 13.833 ( -0.237 1.552 2.917) 3.313 14.363 ( 2.049 -3.936 -3.119) 5.424 14.908 ( 1.290 0.916 1.009) 1.877 14.915 ( -2.786 3.045 0.199) 4.132 18.004 ( 0.189 4.609 0.089) 4.614 18.504 ( -0.134 -4.952 0.134) 4.955 19.032 ( 0.186 1.698 0.015) 1.709 19.702 ( -0.665 8.358 0.860) 8.428 ======================= Grid point 468 (220/324) ======================= q-point: (-0.21 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.458 ( -3.597 0.346 0.821) 3.706 1.588 ( 5.252 0.954 -2.099) 5.736 1.656 ( 1.002 -0.069 -0.916) 1.359 2.085 ( 0.196 1.190 -0.342) 1.254 2.356 ( 0.455 4.567 -4.113) 6.162 2.934 ( 0.971 -3.437 -2.084) 4.135 3.036 ( 3.786 2.506 -2.640) 5.252 3.298 ( -6.669 1.869 0.803) 6.973 3.515 ( -3.334 6.370 1.206) 7.290 3.630 ( 9.896 10.970 -1.908) 14.897 3.838 ( 1.077 -6.167 0.734) 6.303 3.957 ( 1.795 -8.405 5.408) 10.154 4.114 ( -8.118 -11.710 -3.362) 14.640 4.530 ( -0.488 -0.054 5.128) 5.152 5.549 ( -0.561 5.232 3.515) 6.328 5.661 ( -1.193 0.654 -1.464) 1.999 5.915 ( -1.854 0.933 0.709) 2.194 6.202 ( 3.245 -3.273 -2.744) 5.364 7.300 ( -0.095 -12.020 0.304) 12.024 7.384 ( 1.272 3.210 -1.169) 3.646 7.492 ( 0.135 -1.199 1.512) 1.934 7.875 ( -2.216 13.616 -4.859) 14.626 8.289 ( -5.178 -7.332 -1.336) 9.075 8.331 ( 6.386 -0.392 0.179) 6.400 8.495 ( -1.638 3.124 5.658) 6.668 8.742 ( 5.600 -2.450 -6.434) 8.875 9.010 ( -2.804 -3.918 3.314) 5.848 9.571 ( 0.569 -0.769 0.692) 1.181 9.630 ( 4.450 6.828 3.384) 8.825 9.940 ( -5.952 4.630 4.794) 8.936 10.370 ( -3.021 -8.211 -5.264) 10.211 11.260 ( 1.322 -1.262 0.881) 2.029 11.956 ( 1.549 -5.908 -2.108) 6.462 12.315 ( 0.187 0.471 -0.158) 0.531 13.802 ( -0.290 1.993 1.006) 2.251 14.412 ( 2.086 -1.348 -4.231) 4.907 14.872 ( -2.861 0.943 1.302) 3.281 14.933 ( 1.302 -3.035 1.205) 3.516 17.920 ( 0.077 4.178 -0.311) 4.190 18.604 ( 0.129 -5.220 0.026) 5.222 19.016 ( 0.065 -0.049 -0.141) 0.163 19.562 ( -0.650 6.197 1.110) 6.329 ======================= Grid point 469 (221/324) ======================= q-point: (-0.14 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.435 ( -1.629 0.747 -0.105) 1.795 1.591 ( 5.753 1.192 -2.738) 6.482 1.661 ( 1.221 -0.046 -0.774) 1.446 2.059 ( 0.621 1.628 -0.651) 1.860 2.242 ( -1.509 6.176 -0.861) 6.415 2.916 ( -0.292 4.390 -0.387) 4.417 2.974 ( 1.566 7.671 -4.012) 8.798 3.176 ( -5.495 2.897 -1.062) 6.302 3.440 ( 5.846 5.742 -0.496) 8.209 3.467 ( 2.483 4.871 -3.242) 6.356 3.856 ( 0.139 2.988 -0.078) 2.992 4.151 ( 0.421 -6.244 4.305) 7.596 4.356 ( -5.149 -17.048 4.697) 18.417 4.628 ( -0.981 -8.591 3.047) 9.168 5.375 ( 1.222 14.358 3.499) 14.829 5.559 ( -1.322 8.776 -1.558) 9.010 5.788 ( -1.496 11.125 -1.309) 11.301 6.204 ( 1.674 3.866 -1.381) 4.433 7.271 ( -0.300 8.132 0.851) 8.182 7.420 ( -2.222 -0.081 1.688) 2.791 7.620 ( -2.760 2.240 -3.843) 5.234 7.649 ( 3.775 -6.199 -1.712) 7.457 8.265 ( -3.338 0.085 -4.449) 5.563 8.368 ( 8.777 7.073 3.828) 11.905 8.555 ( -8.968 -11.129 3.426) 14.698 8.889 ( 8.826 -8.405 -4.357) 12.944 9.042 ( -2.642 0.418 2.760) 3.843 9.495 ( -6.921 1.462 -3.781) 8.021 9.585 ( 3.133 2.222 1.746) 4.220 9.916 ( 3.739 -0.042 4.489) 5.843 10.563 ( -2.834 -13.271 2.062) 13.726 11.359 ( -0.515 -8.163 0.721) 8.211 12.027 ( -0.777 -2.286 -3.347) 4.127 12.293 ( 0.217 1.882 -0.339) 1.925 13.775 ( -1.048 0.466 1.389) 1.801 14.419 ( 1.629 -0.320 -5.492) 5.737 14.834 ( -1.086 2.496 1.195) 2.972 15.045 ( -0.426 -7.703 1.517) 7.862 17.850 ( 1.291 3.428 -0.631) 3.717 18.689 ( -1.120 -3.860 0.045) 4.019 19.033 ( -1.206 -1.890 -0.313) 2.263 19.483 ( 2.301 2.599 1.639) 3.839 ======================= Grid point 470 (222/324) ======================= q-point: (-0.07 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.418 ( 0.874 0.646 -0.448) 1.176 1.579 ( 6.253 2.420 -3.196) 7.428 1.663 ( 1.546 0.287 -1.618) 2.256 2.024 ( 1.435 2.620 -0.440) 3.019 2.110 ( -3.648 6.719 4.239) 8.741 2.714 ( -4.427 13.565 -0.685) 14.286 2.842 ( 5.507 5.464 -4.235) 8.839 3.131 ( 0.292 3.541 0.004) 3.553 3.315 ( 5.050 5.864 -2.506) 8.135 3.468 ( -2.081 -1.340 -0.601) 2.547 3.786 ( 1.070 3.639 -1.121) 3.956 4.214 ( -2.710 -0.466 -0.515) 2.798 4.635 ( -2.642 -9.128 8.422) 12.697 4.825 ( -2.254 -11.155 2.889) 11.742 5.063 ( 2.849 19.501 1.204) 19.745 5.317 ( -0.523 15.553 -1.258) 15.613 5.509 ( -1.242 15.158 -0.965) 15.239 6.072 ( -0.001 9.660 -1.496) 9.775 7.100 ( -1.256 9.865 3.178) 10.440 7.349 ( -2.905 3.852 0.505) 4.851 7.538 ( 0.907 1.986 -2.574) 3.375 7.871 ( -1.305 -10.983 -1.242) 11.130 8.187 ( -0.935 4.453 -6.490) 7.926 8.396 ( 11.068 -3.240 4.516) 12.385 8.677 ( -5.270 -2.589 3.086) 6.633 8.906 ( -8.257 2.543 -0.248) 8.643 9.139 ( 4.218 -8.327 -1.468) 9.449 9.503 ( -2.198 1.425 0.562) 2.679 9.596 ( -2.013 -9.623 -2.269) 10.089 9.989 ( 9.933 -2.758 1.576) 10.428 10.808 ( -3.682 -12.277 4.650) 13.634 11.533 ( -4.807 -9.919 1.069) 11.074 12.027 ( -1.064 -0.782 -5.432) 5.590 12.248 ( 0.442 2.775 -0.579) 2.869 13.795 ( -3.292 -3.015 4.250) 6.163 14.406 ( 0.746 0.559 -6.808) 6.871 14.774 ( 1.012 4.088 0.261) 4.220 15.212 ( -2.029 -9.869 1.453) 10.180 17.803 ( 3.068 2.352 -0.843) 3.957 18.741 ( -2.204 -2.823 -0.107) 3.583 19.055 ( -4.863 -1.777 0.489) 5.201 19.515 ( 8.305 -2.575 1.875) 8.895 ======================= Grid point 476 (223/324) ======================= q-point: ( 0.36 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.471 ( 4.283 0.000 5.772) 7.188 1.477 ( 8.146 0.000 -7.183) 10.861 1.617 ( 14.497 0.000 -7.622) 16.378 1.817 ( 3.805 0.000 13.138) 13.678 1.964 ( -3.138 -0.000 -1.513) 3.483 2.097 ( -1.542 -0.000 -2.049) 2.565 2.258 ( 8.222 0.000 -5.957) 10.153 2.590 ( -1.540 -0.000 6.019) 6.213 2.809 ( -10.553 -0.000 0.257) 10.556 2.884 ( -2.019 -0.000 3.435) 3.985 3.185 ( 12.847 0.000 -15.796) 20.361 3.687 ( 5.944 0.000 -14.595) 15.759 3.691 ( 1.400 0.000 -2.357) 2.742 3.944 ( 3.835 0.000 17.755) 18.165 4.332 ( -1.721 -0.000 13.834) 13.941 4.733 ( -19.544 -0.000 -2.669) 19.725 5.231 ( -2.528 -0.000 6.045) 6.552 6.007 ( -2.577 -0.000 -3.327) 4.209 6.328 ( 2.451 0.000 0.017) 2.451 6.928 ( -2.301 -0.000 -1.058) 2.533 7.905 ( 6.268 0.000 -2.257) 6.662 8.145 ( 7.930 0.000 5.834) 9.845 8.166 ( 4.331 0.000 1.355) 4.538 8.425 ( -3.797 -0.000 14.788) 15.267 8.674 ( -1.079 -0.000 -2.846) 3.043 9.015 ( -7.497 -0.000 -1.286) 7.606 9.238 ( -3.608 -0.000 2.179) 4.215 9.890 ( 2.803 0.000 0.082) 2.805 10.042 ( 3.959 0.000 -3.689) 5.411 10.705 ( 12.511 0.000 -29.820) 32.338 11.101 ( -2.886 -0.000 -0.713) 2.973 11.394 ( -4.716 -0.000 -1.848) 5.065 12.286 ( -0.606 -0.000 0.886) 1.074 12.639 ( -0.330 -0.000 -0.939) 0.995 12.733 ( 6.716 0.000 -8.668) 10.966 14.296 ( -16.194 -0.000 3.522) 16.572 14.752 ( 2.990 0.000 2.480) 3.884 15.910 ( -4.884 -0.000 2.242) 5.374 18.217 ( 11.852 0.000 3.422) 12.336 18.733 ( -14.368 -0.000 9.656) 17.311 19.317 ( 7.995 0.000 -1.921) 8.223 20.605 ( -0.966 -0.000 8.015) 8.073 ======================= Grid point 477 (224/324) ======================= q-point: ( 0.43 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.496 ( 6.194 -0.791 -2.235) 6.632 1.544 ( 4.129 -2.568 1.305) 5.035 1.669 ( 9.408 0.015 -4.157) 10.286 1.869 ( 0.915 -1.847 7.834) 8.101 2.059 ( 0.642 -7.915 -0.354) 7.949 2.082 ( -4.109 -3.824 -5.210) 7.658 2.328 ( 10.026 -3.288 -2.163) 10.771 2.718 ( -2.193 -10.363 3.897) 11.287 2.832 ( -8.644 -7.786 3.698) 12.208 2.910 ( 1.635 -2.062 0.519) 2.682 3.215 ( 0.510 -3.569 -11.731) 12.273 3.757 ( 11.294 -6.699 -11.254) 17.294 3.785 ( 6.858 -9.278 -4.972) 12.563 4.057 ( -0.085 -5.870 13.497) 14.719 4.324 ( -7.405 1.683 9.447) 12.121 4.653 ( -13.273 -0.950 1.293) 13.370 5.246 ( 0.334 -0.224 6.707) 6.719 5.933 ( -3.071 4.366 -4.631) 7.067 6.429 ( 1.799 -8.576 0.678) 8.789 6.975 ( -2.346 -6.032 -0.082) 6.473 7.934 ( 4.601 -0.381 -2.359) 5.184 8.096 ( 4.637 7.358 2.862) 9.156 8.172 ( 2.536 2.333 0.277) 3.457 8.454 ( -6.556 0.423 6.649) 9.347 8.713 ( -0.345 -4.894 1.656) 5.179 8.989 ( -1.281 0.862 4.757) 5.001 9.212 ( -3.049 1.908 2.231) 4.232 9.790 ( 7.151 9.858 -0.303) 12.182 10.086 ( -3.055 -3.693 -2.289) 5.312 10.637 ( 10.653 4.243 -28.913) 31.104 11.060 ( -2.258 3.090 -0.108) 3.828 11.348 ( -3.049 1.336 -2.950) 4.448 12.275 ( -0.019 1.633 -0.160) 1.641 12.410 ( 2.038 10.335 -1.748) 10.678 13.062 ( 1.138 -20.286 -4.208) 20.749 14.201 ( -13.894 2.647 5.081) 15.028 14.790 ( 4.955 -1.404 -0.012) 5.150 15.837 ( -4.229 5.858 2.327) 7.590 18.265 ( 11.757 2.436 2.957) 12.365 18.667 ( -13.251 2.557 9.125) 16.291 19.320 ( 5.967 2.798 -2.117) 6.922 20.562 ( -1.224 5.764 5.852) 8.305 ======================= Grid point 478 (225/324) ======================= q-point: ( 0.50 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.535 ( 1.273 -0.714 1.327) 1.973 1.605 ( 2.738 -1.601 0.467) 3.206 1.679 ( 4.889 1.243 -3.099) 5.920 1.976 ( 2.019 -7.356 -0.050) 7.628 2.081 ( -4.032 -1.779 3.989) 5.944 2.301 ( 6.051 -12.098 -4.308) 14.197 2.454 ( 8.375 -5.237 -1.933) 10.065 2.841 ( -8.412 -5.871 2.533) 10.566 2.972 ( 2.251 -3.805 -3.204) 5.460 3.086 ( -1.077 -16.329 6.283) 17.529 3.267 ( -6.215 -7.591 -8.961) 13.287 3.921 ( 3.234 -8.814 -4.729) 10.512 4.088 ( 16.768 -17.180 -8.843) 25.584 4.220 ( 2.816 -2.322 12.409) 12.935 4.340 ( -15.313 -12.956 2.219) 20.181 4.635 ( -7.244 -2.032 3.676) 8.374 5.293 ( 3.434 -1.880 5.885) 7.068 5.798 ( -4.081 6.191 -4.166) 8.505 6.638 ( 1.887 -11.514 1.359) 11.746 7.100 ( -3.908 -7.388 2.747) 8.798 7.855 ( -0.784 11.608 -4.362) 12.425 8.006 ( 4.458 2.518 1.031) 5.223 8.163 ( 3.972 -0.833 -2.381) 4.705 8.407 ( -6.341 0.908 -0.661) 6.440 8.813 ( -1.308 -4.485 5.289) 7.057 8.978 ( 1.152 3.285 7.573) 8.335 9.158 ( -1.891 2.772 3.475) 4.831 9.632 ( 9.917 11.114 -2.545) 15.111 10.121 ( -9.767 -1.742 0.986) 9.970 10.512 ( 9.672 2.965 -21.733) 23.972 10.939 ( -4.632 7.856 -1.418) 9.230 11.307 ( 0.801 1.425 -3.917) 4.244 12.214 ( 0.367 4.837 -1.756) 5.158 12.277 ( 0.281 4.696 -0.563) 4.738 13.415 ( -1.794 -17.209 1.165) 17.342 14.111 ( -7.319 1.791 2.790) 8.035 14.849 ( 4.916 -2.003 -0.976) 5.397 15.671 ( -3.344 10.153 2.077) 10.889 18.270 ( 10.602 3.968 2.337) 11.559 18.563 ( -11.404 4.078 6.931) 13.954 19.270 ( 3.719 4.055 -2.322) 5.972 20.432 ( -0.251 8.916 3.862) 9.720 ======================= Grid point 479 (226/324) ======================= q-point: ( 0.57 0.36 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.533 ( -4.225 0.665 3.549) 5.557 1.635 ( 2.196 -0.162 -0.123) 2.206 1.667 ( 3.078 1.003 -3.148) 4.516 2.082 ( -3.251 -3.137 -2.788) 5.309 2.200 ( 6.041 -9.772 5.019) 12.537 2.487 ( 1.702 -5.171 -3.470) 6.456 2.600 ( 5.153 -7.145 0.309) 8.815 2.930 ( 0.051 -6.534 0.165) 6.537 3.058 ( -0.023 -6.435 -5.087) 8.203 3.337 ( -5.611 -10.172 -7.317) 13.729 3.394 ( -3.505 -8.909 8.060) 12.514 4.073 ( 6.235 -4.303 -0.799) 7.618 4.271 ( -1.733 -4.665 3.252) 5.945 4.532 ( -0.478 -12.622 -3.724) 13.169 4.545 ( -2.307 -19.263 -1.475) 19.456 4.759 ( -0.927 -15.051 3.938) 15.585 5.399 ( 5.167 -5.716 2.900) 8.233 5.649 ( -5.196 5.453 -0.924) 7.588 6.865 ( 1.307 -10.278 1.275) 10.438 7.192 ( -6.378 -3.128 6.415) 9.572 7.585 ( -0.279 11.724 -5.944) 13.147 8.001 ( 5.724 1.265 -0.835) 5.921 8.223 ( 2.763 -4.123 -5.594) 7.479 8.362 ( -4.919 0.082 -1.679) 5.198 8.889 ( 2.809 3.989 6.910) 8.459 8.913 ( -4.959 0.179 5.986) 7.775 9.139 ( -0.311 0.221 8.134) 8.143 9.457 ( 10.586 11.249 -6.301) 16.682 10.000 ( -8.651 6.582 -5.952) 12.393 10.543 ( 6.425 -3.004 -6.264) 9.463 10.724 ( -5.900 10.475 -3.001) 12.392 11.289 ( 1.780 -1.243 -3.796) 4.373 12.047 ( -1.915 11.431 -1.718) 11.717 12.245 ( 1.664 -0.205 -0.874) 1.891 13.681 ( -3.585 -10.638 8.244) 13.927 14.090 ( -0.269 -1.913 -3.181) 3.722 14.901 ( 3.677 -1.341 -0.955) 4.029 15.448 ( -2.454 12.088 1.486) 12.424 18.244 ( 7.369 4.401 1.623) 8.735 18.455 ( -8.006 3.397 4.177) 9.648 19.201 ( 1.898 3.935 -1.863) 4.749 20.258 ( -0.291 10.263 2.638) 10.601 ======================= Grid point 480 (227/324) ======================= q-point: (-0.36 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.500 ( -6.101 0.956 3.600) 7.148 1.638 ( 2.905 0.922 -0.877) 3.172 1.657 ( 1.029 0.267 -2.569) 2.780 2.102 ( -1.934 -1.155 0.227) 2.264 2.456 ( 10.120 -9.619 1.156) 14.010 2.521 ( -4.672 -2.826 -2.750) 6.113 2.747 ( 0.676 -6.797 -0.683) 6.865 3.099 ( 8.720 -7.693 0.411) 11.636 3.184 ( -3.639 -9.833 -5.182) 11.695 3.447 ( -8.342 -6.798 -0.164) 10.762 3.532 ( -0.746 -5.583 5.711) 8.021 4.121 ( 13.143 4.225 0.871) 13.833 4.300 ( -4.970 1.616 -6.585) 8.407 4.630 ( -11.776 -7.533 4.079) 14.562 4.978 ( 3.122 -20.225 -3.856) 20.825 5.124 ( 1.986 -20.391 1.494) 20.542 5.532 ( -1.214 -2.232 3.163) 4.057 5.626 ( 1.466 -9.229 -0.255) 9.348 6.973 ( -4.367 -0.533 0.643) 4.446 7.252 ( 0.110 -5.956 5.873) 8.365 7.440 ( 0.162 2.822 -2.675) 3.891 8.007 ( 5.723 0.822 -2.578) 6.331 8.266 ( -3.195 -2.357 -7.952) 8.888 8.368 ( 0.934 -2.094 -0.125) 2.296 8.756 ( 1.317 8.793 2.656) 9.279 8.929 ( -3.840 1.371 7.433) 8.478 9.146 ( 0.394 5.608 7.605) 9.458 9.342 ( 8.770 1.121 -3.490) 9.505 9.829 ( -5.469 4.852 -4.423) 8.545 10.459 ( -5.454 9.994 -4.195) 12.134 10.557 ( 2.589 6.068 -2.925) 7.217 11.393 ( 2.383 -9.668 -2.854) 10.358 11.783 ( -0.881 14.665 -0.781) 14.712 12.268 ( 1.019 -1.359 -0.945) 1.944 13.824 ( -2.933 -3.455 10.221) 11.181 14.158 ( 3.381 -5.663 -6.063) 8.959 14.928 ( 1.755 -0.185 -0.566) 1.853 15.215 ( -1.451 11.502 0.769) 11.618 18.184 ( 1.160 4.788 0.918) 5.012 18.401 ( -1.700 0.347 2.020) 2.663 19.134 ( 0.655 3.417 -1.040) 3.631 20.065 ( -1.247 10.440 1.782) 10.664 ======================= Grid point 481 (228/324) ======================= q-point: (-0.29 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.466 ( -5.469 0.409 2.711) 6.117 1.630 ( 3.013 1.134 -1.088) 3.398 1.651 ( 0.496 -0.088 -2.021) 2.083 2.108 ( -0.950 -0.156 0.516) 1.093 2.473 ( -0.164 1.749 -4.470) 4.802 2.712 ( 6.768 -8.356 -1.259) 10.827 2.891 ( -1.253 -9.577 -0.245) 9.662 3.235 ( -0.219 -4.345 -0.385) 4.368 3.395 ( 1.097 -13.570 -1.060) 13.655 3.491 ( -3.022 -0.709 10.984) 11.414 3.690 ( -2.463 -10.701 -1.633) 11.101 4.061 ( 13.001 8.919 -1.936) 15.885 4.128 ( -5.326 9.698 -9.320) 14.466 4.666 ( -6.453 0.802 5.700) 8.647 5.302 ( -4.259 -15.741 -1.574) 16.383 5.481 ( 3.497 -12.806 0.244) 13.277 5.632 ( -3.350 -9.871 6.690) 12.386 5.865 ( 4.667 -12.722 -4.574) 14.302 6.961 ( -2.474 -2.616 0.617) 3.654 7.392 ( -0.434 -2.205 3.865) 4.470 7.432 ( 1.880 -4.171 -0.542) 4.607 8.015 ( 1.956 -0.889 -3.064) 3.742 8.244 ( -2.766 1.392 -6.015) 6.765 8.408 ( 2.173 -0.952 0.419) 2.409 8.614 ( 3.498 7.719 -0.126) 8.476 8.893 ( -3.214 1.371 4.794) 5.932 8.995 ( 2.476 9.969 1.045) 10.325 9.440 ( 2.545 -5.187 3.561) 6.787 9.751 ( -2.318 0.963 2.660) 3.657 10.239 ( -4.415 9.119 -2.955) 10.553 10.398 ( -0.281 8.671 -5.929) 10.508 11.510 ( -0.763 12.346 -0.104) 12.370 11.614 ( 4.347 -10.953 -2.003) 11.953 12.294 ( 0.267 -1.233 -0.718) 1.452 13.864 ( -1.023 0.402 5.865) 5.968 14.275 ( 3.956 -5.777 -3.824) 7.977 14.923 ( -1.419 0.841 -0.229) 1.665 15.023 ( 0.757 8.269 0.592) 8.325 18.091 ( -1.879 4.745 0.332) 5.114 18.432 ( 1.738 -2.754 0.769) 3.346 19.075 ( -0.002 2.710 -0.349) 2.732 19.869 ( -2.249 9.679 1.173) 10.006 ======================= Grid point 482 (229/324) ======================= q-point: (-0.21 -0.64 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.446 ( -3.653 -0.018 1.365) 3.900 1.623 ( 3.192 0.880 -1.157) 3.507 1.653 ( 0.480 -0.331 -1.324) 1.447 2.102 ( -0.308 0.583 0.201) 0.690 2.415 ( 0.379 2.827 -5.276) 5.998 2.849 ( 4.392 -4.929 -3.856) 7.646 3.048 ( 2.168 -4.600 0.520) 5.112 3.271 ( -5.511 -1.057 1.509) 5.811 3.555 ( -4.048 -3.386 8.073) 9.646 3.662 ( 4.123 -11.867 2.600) 12.829 3.844 ( -2.499 -3.068 0.532) 3.992 3.904 ( -2.650 4.187 -7.223) 8.759 3.931 ( 8.451 6.332 -5.130) 11.740 4.597 ( -2.754 4.701 5.970) 8.082 5.510 ( -4.826 -8.564 0.244) 9.833 5.630 ( 0.795 -3.426 1.120) 3.691 5.840 ( -1.598 -8.338 3.794) 9.299 6.087 ( 4.484 -9.356 -5.086) 11.554 7.081 ( 0.754 -10.059 0.612) 10.106 7.404 ( -0.071 -0.229 0.820) 0.854 7.506 ( 1.197 -0.532 0.192) 1.324 8.029 ( -7.192 2.150 -2.863) 8.034 8.149 ( 1.953 1.258 -2.959) 3.762 8.407 ( -0.210 3.420 1.994) 3.964 8.553 ( 9.798 0.476 -0.959) 9.856 8.814 ( 3.968 8.012 -1.940) 9.149 8.926 ( -4.880 -3.170 4.041) 7.085 9.525 ( -2.767 -2.678 -0.802) 3.934 9.767 ( 3.019 0.908 7.572) 8.202 10.040 ( -5.878 8.558 2.463) 10.670 10.266 ( 0.268 1.287 -7.098) 7.219 11.324 ( 1.237 6.863 -0.057) 6.974 11.816 ( 1.850 -8.822 -2.463) 9.344 12.311 ( -0.089 -0.711 -0.428) 0.834 13.847 ( -0.281 2.144 2.219) 3.098 14.374 ( 3.873 -3.307 -2.909) 5.864 14.872 ( -3.976 1.800 0.218) 4.370 14.944 ( 2.677 2.026 1.150) 3.549 17.997 ( -1.529 4.220 -0.020) 4.489 18.514 ( 1.829 -4.436 0.138) 4.800 19.032 ( -0.043 1.619 -0.054) 1.621 19.692 ( -2.434 7.952 0.933) 8.368 ======================= Grid point 483 (230/324) ======================= q-point: (-0.14 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.434 ( -1.561 0.110 -0.028) 1.565 1.623 ( 3.297 0.549 -1.268) 3.575 1.659 ( 0.594 -0.402 -0.847) 1.110 2.085 ( 0.254 1.093 -0.178) 1.136 2.335 ( 1.181 4.435 -4.598) 6.497 2.929 ( 0.481 -2.664 -1.659) 3.175 3.070 ( 5.560 3.120 -2.619) 6.892 3.226 ( -7.692 3.642 1.783) 8.696 3.487 ( -2.572 5.308 -0.405) 5.912 3.718 ( 8.646 12.338 -2.008) 15.199 3.846 ( 0.376 -5.410 -0.066) 5.424 4.013 ( -6.492 -9.607 -3.181) 12.023 4.031 ( 2.971 -14.059 8.484) 16.687 4.543 ( -2.287 0.168 3.424) 4.121 5.557 ( -1.737 2.589 2.246) 3.842 5.646 ( -0.394 2.033 -0.149) 2.076 5.905 ( -1.142 1.732 1.385) 2.494 6.213 ( 2.531 -3.107 -3.502) 5.322 7.309 ( 1.098 -11.238 0.697) 11.313 7.391 ( 1.401 3.144 -1.223) 3.653 7.502 ( 0.152 -1.095 0.858) 1.399 7.808 ( -5.031 11.600 -3.470) 13.111 8.231 ( -3.487 -3.919 -1.857) 5.565 8.360 ( -0.552 -1.995 0.717) 2.191 8.574 ( 8.173 6.538 5.584) 11.863 8.785 ( 9.381 -5.099 -4.834) 11.720 8.986 ( -5.607 -4.052 2.857) 7.485 9.489 ( -8.930 2.374 -5.980) 11.007 9.700 ( 2.375 7.716 0.569) 8.093 9.964 ( 1.215 0.542 10.215) 10.301 10.333 ( 0.181 -9.146 -1.007) 9.203 11.272 ( 0.499 -0.862 -0.535) 1.130 11.940 ( -1.196 -5.039 -3.386) 6.188 12.313 ( -0.084 0.391 -0.344) 0.527 13.805 ( -0.221 2.291 0.884) 2.466 14.414 ( 3.154 -0.249 -3.592) 4.786 14.848 ( -2.991 -0.218 1.413) 3.315 14.955 ( 1.270 -2.060 1.088) 2.653 17.920 ( 0.142 3.529 -0.222) 3.538 18.605 ( 0.037 -4.335 -0.087) 4.336 19.016 ( 0.069 0.166 -0.128) 0.220 19.563 ( -0.637 4.843 1.097) 5.006 ======================= Grid point 484 (231/324) ======================= q-point: (-0.07 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.426 ( 0.604 0.183 -0.985) 1.170 1.623 ( 2.959 0.791 -1.563) 3.438 1.667 ( 0.979 -0.201 -1.023) 1.430 2.065 ( 1.061 1.334 -0.247) 1.722 2.233 ( 1.408 6.013 -1.691) 6.403 2.896 ( -3.724 6.989 0.331) 7.926 2.980 ( 3.756 7.163 -1.953) 8.320 3.134 ( -1.143 0.501 -1.361) 1.846 3.440 ( -1.229 -0.099 -0.341) 1.279 3.525 ( 7.298 11.504 -1.867) 13.751 3.856 ( -1.131 2.886 0.834) 3.210 4.134 ( -3.251 -5.899 -2.529) 7.194 4.375 ( -0.479 -16.803 8.091) 18.656 4.613 ( -4.238 -8.559 1.205) 9.627 5.413 ( 2.340 13.229 2.444) 13.655 5.543 ( -0.713 8.643 -0.290) 8.677 5.774 ( -0.768 11.589 0.741) 11.638 6.200 ( 0.221 4.238 -2.902) 5.141 7.277 ( -0.001 8.139 1.690) 8.313 7.404 ( -2.862 1.742 1.379) 3.623 7.558 ( -4.918 0.389 -2.949) 5.748 7.687 ( 5.680 -5.819 -1.780) 8.324 8.202 ( -1.257 1.224 -5.279) 5.563 8.493 ( -1.775 -7.978 1.104) 8.248 8.505 ( 4.947 3.276 7.655) 9.685 8.929 ( 1.118 -1.113 -1.786) 2.383 9.044 ( 1.979 -4.845 0.096) 5.234 9.383 ( -8.255 -2.568 -4.526) 9.758 9.587 ( -2.871 4.608 -0.794) 5.487 10.024 ( 9.303 -0.725 5.819) 10.997 10.559 ( -1.596 -13.339 3.542) 13.893 11.346 ( -1.980 -7.132 -0.696) 7.435 11.975 ( -4.154 -1.716 -4.422) 6.305 12.291 ( 0.173 1.780 -0.569) 1.876 13.777 ( -0.687 0.631 1.999) 2.206 14.407 ( 1.807 0.861 -4.200) 4.653 14.829 ( -1.044 1.638 0.989) 2.179 15.047 ( -0.996 -6.829 1.250) 7.013 17.866 ( 2.373 2.746 -0.376) 3.649 18.668 ( -2.715 -3.172 -0.121) 4.177 19.020 ( -0.975 -0.629 -0.025) 1.160 19.527 ( 4.048 -0.070 1.354) 4.269 ======================= Grid point 491 (232/324) ======================= q-point: ( 0.43 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.527 ( 0.951 0.000 3.588) 3.712 1.530 ( 7.982 0.000 -3.068) 8.551 1.702 ( 7.010 0.000 -3.209) 7.710 1.867 ( -2.786 -0.000 -3.627) 4.573 1.930 ( 1.225 0.000 -4.184) 4.359 2.029 ( -6.811 -0.000 5.806) 8.949 2.356 ( 10.679 0.000 0.195) 10.681 2.620 ( 0.495 0.000 4.412) 4.440 2.720 ( -7.809 -0.000 2.694) 8.261 2.914 ( 5.351 0.000 -1.145) 5.472 3.142 ( -5.824 -0.000 -7.922) 9.833 3.684 ( 0.365 0.000 -2.719) 2.743 3.749 ( 21.351 0.000 -12.130) 24.556 4.014 ( -9.586 -0.000 7.081) 11.917 4.332 ( -7.734 -0.000 8.439) 11.447 4.613 ( -4.944 -0.000 5.250) 7.211 5.277 ( 2.179 0.000 9.445) 9.693 5.941 ( -4.389 -0.000 -6.239) 7.628 6.348 ( 1.368 0.000 0.075) 1.370 6.903 ( -1.205 -0.000 -1.108) 1.637 7.946 ( 4.425 0.000 -2.238) 4.959 8.173 ( -3.553 -0.000 -3.066) 4.693 8.218 ( 3.533 0.000 1.975) 4.047 8.487 ( -4.240 -0.000 18.195) 18.682 8.634 ( -2.333 -0.000 -3.781) 4.443 9.027 ( 4.528 0.000 8.856) 9.947 9.228 ( -1.429 -0.000 2.485) 2.866 9.913 ( 1.513 0.000 0.072) 1.515 10.031 ( -0.130 -0.000 -6.579) 6.580 10.636 ( 12.448 0.000 -32.965) 35.237 11.086 ( 0.363 0.000 0.218) 0.424 11.332 ( -4.693 -0.000 -1.695) 4.989 12.288 ( -0.217 -0.000 1.011) 1.034 12.629 ( -0.289 -0.000 -1.057) 1.096 12.746 ( 4.851 0.000 -6.590) 8.183 14.173 ( -13.314 -0.000 6.718) 14.913 14.799 ( 4.653 0.000 -1.155) 4.795 15.881 ( -3.683 -0.000 2.662) 4.545 18.355 ( 9.982 0.000 2.161) 10.213 18.662 ( -10.544 -0.000 10.568) 14.928 19.369 ( 4.007 0.000 -1.578) 4.306 20.622 ( -3.143 -0.000 5.315) 6.175 ======================= Grid point 492 (233/324) ======================= q-point: ( 0.50 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.536 ( 0.058 -0.246 2.281) 2.295 1.586 ( 2.442 -1.995 0.838) 3.263 1.710 ( 1.542 0.692 -1.493) 2.255 1.847 ( -3.018 -3.758 -9.882) 10.995 2.035 ( -1.876 -4.727 4.781) 6.980 2.077 ( 3.401 -9.041 -0.734) 9.687 2.428 ( 8.151 -2.323 1.505) 8.608 2.700 ( -3.310 -5.548 0.859) 6.517 2.812 ( -1.954 -12.112 6.839) 14.046 2.939 ( 4.410 -0.862 -5.677) 7.240 3.111 ( -7.577 -3.100 -3.884) 9.062 3.754 ( -1.185 -7.222 -3.368) 8.056 3.911 ( 21.094 -8.515 -9.267) 24.563 4.010 ( -17.559 -7.578 0.191) 19.126 4.320 ( 0.190 1.905 11.031) 11.196 4.612 ( -1.755 0.095 4.621) 4.944 5.325 ( 4.265 0.045 10.155) 11.014 5.854 ( -5.056 3.900 -7.119) 9.564 6.447 ( 0.875 -9.004 0.550) 9.063 6.956 ( -1.317 -5.995 0.075) 6.139 7.952 ( 1.488 1.486 -2.542) 3.299 8.105 ( -3.336 3.289 -3.142) 5.641 8.205 ( 4.819 3.666 2.668) 6.617 8.413 ( -7.702 4.941 3.976) 9.977 8.726 ( -1.318 -6.382 5.398) 8.462 9.076 ( 6.464 1.738 10.482) 12.437 9.209 ( -0.756 2.117 2.637) 3.465 9.846 ( 4.060 7.237 -0.418) 8.309 10.022 ( -5.727 -2.454 -3.761) 7.278 10.557 ( 10.717 3.851 -31.180) 33.195 11.047 ( -0.214 4.901 -0.112) 4.907 11.306 ( -1.485 -0.116 -2.549) 2.952 12.276 ( 0.167 1.802 0.192) 1.820 12.414 ( 0.722 10.388 -1.450) 10.513 13.053 ( 1.509 -19.851 -3.206) 20.165 14.117 ( -9.356 1.551 6.540) 11.520 14.833 ( 4.292 -1.559 -1.928) 4.957 15.816 ( -2.768 5.837 2.660) 6.986 18.380 ( 5.288 2.067 1.514) 5.876 18.620 ( -5.159 3.626 9.773) 11.631 19.348 ( 1.776 3.051 -1.772) 3.950 20.572 ( -2.479 5.116 4.214) 7.076 ======================= Grid point 493 (234/324) ======================= q-point: (-0.43 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.531 ( -5.595 0.326 3.511) 6.613 1.626 ( -0.561 -1.389 0.532) 1.589 1.691 ( 0.253 1.001 -1.656) 1.952 1.925 ( -0.834 -7.850 -8.754) 11.788 2.123 ( 1.617 -4.025 8.690) 9.713 2.312 ( 0.617 -11.937 -3.625) 12.490 2.537 ( 6.743 -4.332 1.906) 8.238 2.799 ( -1.838 -6.747 0.566) 7.015 2.951 ( -0.065 -3.117 -10.033) 10.506 3.119 ( 1.036 -12.879 4.140) 13.567 3.179 ( -3.342 -9.881 0.889) 10.469 3.871 ( -9.575 -10.206 -2.383) 14.196 4.139 ( -12.696 -14.878 -2.068) 19.668 4.234 ( 12.484 -14.732 -4.270) 19.776 4.350 ( 9.774 -1.199 6.983) 12.072 4.630 ( -0.147 -2.000 3.396) 3.944 5.386 ( 5.396 -0.928 8.041) 9.728 5.714 ( -5.957 5.241 -5.753) 9.800 6.662 ( 1.146 -11.972 0.874) 12.058 7.082 ( -3.147 -6.992 3.367) 8.374 7.805 ( -3.317 12.044 -3.553) 12.988 8.057 ( 4.013 1.426 0.015) 4.259 8.174 ( 2.663 0.878 -2.856) 4.002 8.330 ( -6.210 0.154 -1.439) 6.376 8.835 ( -2.494 -4.395 6.647) 8.350 9.065 ( 5.251 6.119 6.707) 10.488 9.180 ( 0.165 1.404 6.442) 6.596 9.698 ( 6.561 10.557 -3.585) 12.936 10.007 ( -11.482 0.748 -1.946) 11.669 10.481 ( 10.149 -1.599 -20.255) 22.712 10.896 ( -1.751 9.929 -0.922) 10.125 11.295 ( 1.121 0.820 -3.410) 3.682 12.205 ( -0.337 6.301 -0.983) 6.386 12.279 ( 0.618 3.888 -0.735) 4.005 13.417 ( 0.501 -17.753 1.355) 17.812 14.074 ( -3.524 0.797 3.265) 4.870 14.882 ( 3.299 -1.998 -2.030) 4.359 15.658 ( -1.655 10.238 2.293) 10.621 18.344 ( -1.234 3.253 1.398) 3.750 18.541 ( 1.109 6.024 6.931) 9.250 19.277 ( 0.277 4.010 -2.081) 4.527 20.441 ( -2.096 8.574 3.389) 9.454 ======================= Grid point 494 (235/324) ======================= q-point: (-0.36 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.495 ( -7.696 0.819 3.844) 8.642 1.636 ( -2.728 -0.743 -0.701) 2.913 1.672 ( 1.607 0.822 -1.677) 2.464 2.030 ( -2.727 -5.254 -1.890) 6.213 2.283 ( 5.658 -9.351 2.411) 11.192 2.447 ( -6.493 -4.789 -0.507) 8.084 2.662 ( 4.914 -4.521 2.316) 7.068 2.941 ( 0.644 -9.278 -9.886) 13.573 3.024 ( 4.224 -6.673 -2.700) 8.347 3.254 ( -1.840 -7.178 -1.941) 7.660 3.442 ( 0.214 -10.076 9.138) 13.604 4.056 ( -7.006 -13.229 -3.095) 15.286 4.285 ( -3.643 -4.258 2.699) 6.220 4.405 ( -4.639 -6.899 0.358) 8.321 4.657 ( 13.621 -15.952 -3.298) 21.234 4.779 ( 1.592 -15.085 2.202) 15.328 5.471 ( 4.763 -3.601 1.831) 6.245 5.585 ( -5.841 3.001 0.001) 6.567 6.875 ( -0.802 -8.768 1.018) 8.863 7.181 ( -3.717 -4.034 6.978) 8.876 7.550 ( 0.207 10.305 -4.632) 11.300 8.056 ( 5.722 1.659 -1.200) 6.077 8.178 ( -2.504 -2.443 -7.080) 7.897 8.328 ( -0.277 -1.956 -0.010) 1.976 8.897 ( -4.445 0.072 5.147) 6.801 8.967 ( 3.216 6.137 4.570) 8.300 9.205 ( 0.876 -0.449 11.482) 11.525 9.506 ( 7.440 10.988 -7.782) 15.384 9.860 ( -9.933 5.199 -7.262) 13.358 10.562 ( 4.714 -2.293 -4.942) 7.205 10.678 ( 0.046 10.724 -1.788) 10.872 11.282 ( 1.456 -1.596 -3.625) 4.220 12.030 ( 0.138 11.442 -1.051) 11.491 12.251 ( 0.595 -0.171 -1.042) 1.212 13.711 ( -0.542 -11.319 7.793) 13.753 14.080 ( 2.322 -2.124 -3.244) 4.519 14.920 ( 1.506 -1.126 -1.787) 2.595 15.443 ( -0.361 12.272 1.672) 12.391 18.259 ( -6.207 3.895 1.050) 7.403 18.468 ( 5.427 4.929 3.936) 8.321 19.198 ( -0.379 3.643 -1.709) 4.042 20.257 ( -3.084 10.304 2.668) 11.081 ======================= Grid point 495 (236/324) ======================= q-point: (-0.29 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.454 ( -6.890 0.556 3.292) 7.656 1.630 ( -2.814 -0.687 -1.401) 3.218 1.664 ( 2.246 0.804 -1.232) 2.684 2.083 ( -2.093 -2.123 0.763) 3.077 2.447 ( -6.271 -1.864 -2.148) 6.886 2.548 ( 6.106 -12.388 0.911) 13.841 2.757 ( 2.245 -3.780 -1.338) 4.596 3.087 ( -5.738 -9.960 -7.437) 13.690 3.195 ( 8.237 -7.858 -0.394) 11.391 3.411 ( 0.648 -9.513 2.378) 9.827 3.582 ( 1.212 -2.559 8.478) 8.938 4.147 ( -4.752 -0.037 -10.941) 11.929 4.293 ( 9.249 5.639 0.768) 10.860 4.543 ( -11.351 -11.065 6.586) 17.165 4.969 ( -0.123 -15.449 -1.647) 15.537 5.173 ( 5.736 -20.315 0.248) 21.110 5.517 ( -4.558 -2.901 2.561) 5.979 5.655 ( 4.010 -9.539 -1.024) 10.398 6.940 ( -3.824 -0.119 2.739) 4.705 7.296 ( 1.685 -7.086 4.539) 8.582 7.427 ( 0.745 2.499 -2.529) 3.633 8.034 ( 2.596 2.135 -3.928) 5.169 8.196 ( -1.617 -2.511 -4.441) 5.352 8.384 ( 2.382 -2.716 -0.212) 3.619 8.789 ( 2.993 8.359 0.707) 8.907 8.928 ( -4.862 2.268 5.557) 7.724 9.206 ( 2.357 7.830 6.763) 10.611 9.391 ( 4.344 -0.346 -3.444) 5.555 9.726 ( -7.901 1.054 -5.109) 9.468 10.429 ( 1.746 11.539 1.434) 11.759 10.550 ( 0.191 7.557 -3.940) 8.525 11.396 ( 2.107 -9.818 -2.952) 10.467 11.789 ( 2.660 13.745 -0.635) 14.015 12.266 ( -0.147 -1.327 -1.133) 1.751 13.865 ( -1.426 -2.733 9.521) 10.007 14.169 ( 6.225 -6.256 -6.394) 10.898 14.924 ( -1.209 0.279 -1.440) 1.901 15.221 ( 1.410 11.490 1.205) 11.639 18.152 ( -6.786 3.807 0.291) 7.787 18.443 ( 6.020 1.746 2.089) 6.607 19.127 ( -0.614 3.103 -1.001) 3.318 20.047 ( -4.401 10.446 1.920) 11.497 ======================= Grid point 496 (237/324) ======================= q-point: (-0.21 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.429 ( -4.414 -0.157 1.982) 4.841 1.628 ( -1.690 -0.808 -1.154) 2.200 1.656 ( 1.845 0.742 -0.895) 2.181 2.101 ( -1.164 -0.544 0.735) 1.480 2.422 ( -3.137 0.193 -4.418) 5.422 2.785 ( 8.198 -5.014 -2.680) 9.976 2.877 ( -1.441 -11.850 0.685) 11.957 3.187 ( -4.795 -5.457 -2.847) 7.803 3.399 ( -0.380 -10.303 1.170) 10.376 3.584 ( 6.566 -4.178 9.291) 12.120 3.678 ( -0.022 -7.325 1.911) 7.570 3.986 ( -6.917 7.998 -12.348) 16.257 4.186 ( 10.816 10.628 -1.422) 15.230 4.653 ( -4.750 -1.175 8.115) 9.476 5.240 ( -5.871 -15.264 -0.746) 16.371 5.509 ( 1.850 -11.055 -0.301) 11.213 5.644 ( -1.981 -11.318 6.080) 13.000 5.884 ( 4.736 -12.273 -5.495) 14.256 6.960 ( 0.173 -3.627 2.655) 4.498 7.400 ( 0.026 -0.307 0.657) 0.726 7.452 ( 1.362 -5.357 0.408) 5.542 7.993 ( -1.574 0.674 -3.765) 4.136 8.202 ( -0.520 1.345 -2.619) 2.990 8.437 ( 2.670 -1.124 1.207) 3.139 8.667 ( 8.138 6.555 -1.854) 10.613 8.871 ( -6.493 0.881 3.527) 7.442 9.035 ( 4.242 11.284 0.817) 12.083 9.447 ( -2.745 -3.309 -2.245) 4.850 9.726 ( -4.760 -4.611 2.920) 7.242 10.232 ( 1.313 11.820 2.111) 12.079 10.363 ( 0.738 8.645 -2.616) 9.062 11.489 ( -2.024 6.869 -0.812) 7.207 11.664 ( 7.307 -5.097 -2.485) 9.249 12.287 ( -0.519 -1.391 -0.913) 1.743 13.888 ( -0.852 1.294 4.634) 4.886 14.306 ( 6.533 -5.681 -3.759) 9.439 14.887 ( -3.944 1.716 -0.972) 4.410 15.054 ( 3.247 7.549 1.331) 8.325 18.053 ( -5.103 3.362 -0.123) 6.112 18.475 ( 5.048 -1.336 0.898) 5.298 19.069 ( -0.502 2.403 -0.414) 2.490 19.839 ( -5.012 9.306 1.323) 10.653 ======================= Grid point 497 (238/324) ======================= q-point: (-0.14 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.423 ( -1.635 -0.415 0.403) 1.734 1.635 ( 0.160 -0.599 -0.979) 1.159 1.651 ( 0.311 0.166 -0.247) 0.431 2.099 ( -0.480 0.356 0.258) 0.651 2.383 ( 0.523 1.637 -5.826) 6.074 2.869 ( 3.606 -3.210 -3.290) 5.842 3.076 ( 2.759 -5.832 -0.216) 6.455 3.226 ( -4.842 -1.230 1.705) 5.279 3.534 ( -4.490 -2.890 2.135) 5.751 3.719 ( 1.795 -2.149 -0.990) 2.970 3.802 ( -2.430 -5.554 -0.834) 6.119 3.858 ( -0.722 -6.613 0.708) 6.690 4.019 ( 10.076 11.093 -0.921) 15.014 4.608 ( -2.470 4.925 5.669) 7.905 5.456 ( -5.995 -10.161 0.770) 11.823 5.641 ( 0.310 -3.537 0.543) 3.592 5.853 ( -0.270 -7.323 3.639) 8.181 6.098 ( 3.780 -9.140 -5.403) 11.270 7.108 ( 2.907 -10.023 1.731) 10.578 7.411 ( 1.033 -0.345 -0.041) 1.090 7.510 ( 0.143 -0.399 -0.758) 0.868 7.935 ( -7.488 4.906 -2.471) 9.287 8.149 ( 0.890 0.068 -1.549) 1.787 8.424 ( 1.090 4.649 1.906) 5.141 8.670 ( 13.613 -1.807 -1.366) 13.801 8.855 ( 5.045 7.130 -1.132) 8.808 8.883 ( -7.752 -1.831 4.033) 8.928 9.443 ( -7.680 -0.453 -6.221) 9.894 9.809 ( -0.825 -0.934 0.847) 1.507 10.022 ( -4.634 6.792 7.959) 11.443 10.282 ( 6.955 2.017 0.860) 7.293 11.329 ( 0.433 6.554 -1.044) 6.651 11.816 ( 2.021 -6.711 -3.581) 7.871 12.305 ( -0.375 -0.941 -0.603) 1.179 13.854 ( -0.614 2.559 1.405) 2.983 14.405 ( 5.545 -2.307 -3.002) 6.714 14.835 ( -3.478 0.785 0.491) 3.599 14.978 ( 2.170 2.897 1.301) 3.846 17.974 ( -2.624 2.807 -0.188) 3.847 18.541 ( 3.122 -2.908 0.154) 4.269 19.031 ( -0.048 1.370 -0.161) 1.381 19.664 ( -4.091 6.826 1.064) 8.029 ======================= Grid point 498 (239/324) ======================= q-point: (-0.07 -0.57 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.426 ( 0.677 -0.203 -0.977) 1.206 1.639 ( 1.041 0.311 -0.622) 1.252 1.656 ( -0.760 -0.865 -0.156) 1.162 2.087 ( 0.193 0.774 -0.023) 0.797 2.327 ( 3.560 3.519 -5.649) 7.547 2.924 ( 0.589 -1.601 -1.540) 2.298 3.099 ( 1.772 3.634 -2.058) 4.537 3.185 ( -2.082 3.994 2.686) 5.244 3.459 ( -1.532 3.286 -1.527) 3.934 3.769 ( 3.007 9.271 -1.392) 9.846 3.844 ( -2.375 -3.598 0.848) 4.394 3.941 ( -1.335 -9.195 -4.220) 10.205 4.128 ( 4.111 -12.550 9.624) 16.341 4.527 ( -4.132 1.861 1.969) 4.941 5.543 ( -3.167 -0.727 1.943) 3.786 5.651 ( 1.273 3.146 -0.043) 3.394 5.910 ( -0.197 2.339 2.207) 3.221 6.210 ( 1.494 -2.493 -4.129) 5.050 7.329 ( 1.713 -9.328 0.790) 9.517 7.396 ( 0.922 3.145 -1.089) 3.454 7.504 ( -0.550 -0.053 0.245) 0.604 7.742 ( -3.238 7.567 -2.525) 8.610 8.199 ( -0.634 -2.023 -1.662) 2.694 8.353 ( -1.305 0.017 1.096) 1.705 8.698 ( 8.281 7.833 5.223) 12.538 8.871 ( 11.166 -6.721 -2.324) 13.238 8.930 ( -7.874 -5.099 1.809) 9.554 9.342 ( -10.282 3.308 -7.919) 13.393 9.682 ( -3.750 7.541 -2.023) 8.662 10.064 ( 3.514 -2.786 10.862) 11.752 10.362 ( 3.972 -6.954 2.510) 8.393 11.264 ( -0.622 -0.190 -1.570) 1.699 11.897 ( -1.839 -3.199 -4.449) 5.780 12.310 ( -0.095 0.264 -0.478) 0.554 13.808 ( -0.404 2.112 0.757) 2.280 14.429 ( 3.659 0.958 -3.276) 5.004 14.831 ( -2.132 -0.798 1.684) 2.832 14.970 ( 0.308 -1.275 0.972) 1.632 17.920 ( 0.215 2.194 -0.155) 2.210 18.603 ( -0.061 -2.605 -0.172) 2.611 19.016 ( 0.082 0.346 -0.118) 0.375 19.563 ( -0.649 2.532 1.086) 2.830 ======================= Grid point 506 (240/324) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.528 ( -5.619 -0.000 3.410) 6.573 1.563 ( -6.158 -0.000 1.931) 6.453 1.708 ( -2.523 -0.000 -0.465) 2.566 1.767 ( 2.864 0.000 -13.734) 14.029 1.951 ( 8.555 0.000 -6.449) 10.713 2.058 ( -1.140 -0.000 11.604) 11.660 2.449 ( 5.086 0.000 2.859) 5.834 2.637 ( 0.408 0.000 -0.064) 0.413 2.704 ( -1.058 -0.000 6.782) 6.864 2.906 ( -4.788 -0.000 -11.669) 12.613 3.056 ( -2.399 -0.000 3.512) 4.253 3.665 ( -0.648 -0.000 -2.515) 2.597 3.809 ( -24.847 -0.000 -0.947) 24.865 3.941 ( 23.956 0.000 -9.695) 25.844 4.386 ( 4.007 0.000 11.916) 12.572 4.625 ( 0.450 0.000 2.873) 2.908 5.389 ( 5.511 0.000 12.391) 13.561 5.838 ( -6.444 -0.000 -8.616) 10.759 6.355 ( -0.102 -0.000 0.107) 0.148 6.891 ( 0.231 0.000 -1.033) 1.059 7.967 ( 1.402 0.000 -1.420) 1.995 8.084 ( -6.079 -0.000 -5.070) 7.916 8.258 ( 1.333 0.000 2.096) 2.484 8.567 ( -4.109 -0.000 20.967) 21.366 8.586 ( -1.928 -0.000 -3.549) 4.038 9.164 ( 7.069 0.000 10.575) 12.720 9.237 ( 0.369 0.000 2.087) 2.119 9.922 ( 0.122 0.000 0.035) 0.127 9.955 ( -5.108 -0.000 -8.764) 10.143 10.551 ( 12.235 0.000 -34.063) 36.194 11.105 ( 2.321 0.000 -0.005) 2.321 11.287 ( -1.553 -0.000 -1.113) 1.910 12.294 ( 0.226 0.000 0.919) 0.946 12.620 ( -0.193 -0.000 -0.964) 0.983 12.745 ( 1.844 0.000 -5.201) 5.518 14.109 ( -8.011 -0.000 8.110) 11.399 14.830 ( 3.734 0.000 -2.606) 4.553 15.869 ( -2.008 -0.000 2.913) 3.539 18.408 ( -3.076 -0.000 1.784) 3.556 18.689 ( 4.523 0.000 9.284) 10.327 19.378 ( -0.826 -0.000 -1.031) 1.321 20.621 ( -2.327 -0.000 4.214) 4.813 ======================= Grid point 507 (241/324) ======================= q-point: (-0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.496 ( -12.124 -0.529 2.365) 12.364 1.555 ( -10.904 -3.574 1.291) 11.547 1.691 ( -1.857 0.068 -0.890) 2.060 1.803 ( 8.378 -3.574 -8.241) 12.283 2.064 ( 3.585 -7.630 -1.038) 8.494 2.121 ( 2.688 -4.244 4.240) 6.574 2.505 ( 3.028 -2.714 4.679) 6.199 2.684 ( -0.872 -4.095 0.720) 4.249 2.835 ( -2.128 -6.550 -5.504) 8.816 2.875 ( -3.072 -9.264 -1.165) 9.830 3.085 ( 0.390 -2.527 2.333) 3.461 3.656 ( -18.164 -3.187 -1.763) 18.526 3.806 ( -10.082 -11.552 -1.970) 15.459 4.104 ( 21.938 -6.789 -5.796) 23.685 4.435 ( 7.572 1.368 8.861) 11.736 4.635 ( 2.266 0.221 1.612) 2.790 5.450 ( 5.970 0.817 11.491) 12.975 5.739 ( -7.190 3.280 -8.701) 11.754 6.453 ( -0.266 -9.618 0.338) 9.627 6.950 ( -0.024 -5.801 0.281) 5.808 7.927 ( -3.897 4.163 -1.240) 5.836 8.052 ( -1.081 -0.835 -3.414) 3.677 8.273 ( 2.013 -0.164 2.369) 3.113 8.363 ( -3.790 11.744 3.679) 12.877 8.752 ( -2.166 -6.094 8.742) 10.874 9.203 ( 5.028 3.204 5.568) 8.157 9.226 ( 0.763 1.288 4.623) 4.859 9.867 ( 0.381 5.315 -0.320) 5.338 9.921 ( -8.317 -2.126 -4.625) 9.751 10.475 ( 11.637 2.541 -30.838) 33.059 11.053 ( 1.651 6.357 -0.346) 6.577 11.291 ( 1.290 -0.525 -1.725) 2.217 12.281 ( 0.423 2.189 0.157) 2.235 12.406 ( -0.763 10.130 -1.152) 10.224 13.050 ( 1.442 -20.626 -2.811) 20.866 14.090 ( -4.340 1.039 7.409) 8.649 14.855 ( 3.034 -1.544 -2.791) 4.402 15.814 ( -1.033 5.832 2.794) 6.549 18.369 ( -7.688 1.657 2.207) 8.169 18.705 ( 9.289 5.034 7.002) 12.675 19.334 ( -2.577 2.943 -1.322) 4.129 20.574 ( -1.757 5.242 4.189) 6.936 ======================= Grid point 508 (242/324) ======================= q-point: (-0.36 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.456 ( -12.633 -1.259 2.720) 12.984 1.567 ( -10.869 -3.056 0.473) 11.300 1.682 ( 0.107 0.099 -1.185) 1.194 1.908 ( 4.104 -5.417 -2.910) 7.393 2.194 ( 3.620 -4.910 4.206) 7.410 2.274 ( -4.384 -8.955 -1.261) 10.050 2.610 ( 2.601 -4.699 5.615) 7.770 2.752 ( -4.217 -5.742 -11.070) 13.165 2.905 ( 5.266 -7.602 -4.212) 10.161 3.161 ( 3.464 -5.172 1.104) 6.322 3.198 ( 0.920 -16.293 5.242) 17.140 3.693 ( -22.312 -13.533 1.510) 26.139 4.015 ( -7.227 -13.943 -2.716) 15.937 4.359 ( 11.763 -8.563 1.290) 14.607 4.498 ( 14.377 -4.235 -2.182) 15.145 4.666 ( 3.947 -1.669 3.082) 5.278 5.489 ( 4.492 1.090 5.214) 6.968 5.610 ( -6.704 3.437 -3.665) 8.378 6.671 ( -0.122 -12.167 0.235) 12.170 7.078 ( -1.729 -6.820 3.638) 7.921 7.755 ( -3.495 11.072 -0.471) 11.620 8.073 ( 0.554 -2.176 -2.491) 3.354 8.173 ( -1.345 6.154 -2.816) 6.900 8.302 ( 2.659 -0.958 2.045) 3.488 8.848 ( -2.812 -3.355 6.679) 7.985 9.123 ( 0.845 6.579 0.412) 6.646 9.244 ( 2.406 0.469 7.784) 8.161 9.719 ( 2.541 10.027 -4.992) 11.486 9.870 ( -11.403 2.551 -1.997) 11.854 10.470 ( 10.632 -5.242 -17.299) 20.971 10.897 ( 2.405 10.774 0.469) 11.049 11.286 ( 1.246 1.130 -2.929) 3.378 12.195 ( -0.573 6.603 -0.902) 6.689 12.279 ( 0.405 3.506 -0.661) 3.590 13.440 ( 2.723 -19.070 0.797) 19.280 14.078 ( 0.035 0.741 3.733) 3.806 14.893 ( 1.778 -1.732 -2.762) 3.714 15.665 ( 0.117 10.236 2.334) 10.499 18.285 ( -9.723 3.035 1.738) 10.333 18.647 ( 9.676 7.747 4.761) 13.278 19.252 ( -2.556 3.406 -1.808) 4.626 20.435 ( -3.397 9.257 3.839) 10.581 ======================= Grid point 509 (243/324) ======================= q-point: (-0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.425 ( -10.107 -0.605 3.560) 10.733 1.567 ( -8.954 -2.728 -0.702) 9.386 1.679 ( 1.062 0.215 -1.158) 1.586 2.011 ( -0.636 -4.487 0.932) 4.627 2.339 ( 0.178 -6.454 0.294) 6.463 2.371 ( -5.170 -7.023 1.648) 8.875 2.698 ( -2.569 -3.648 -2.324) 5.030 2.848 ( 1.344 -9.586 -8.398) 12.815 3.112 ( 11.550 -7.455 -1.840) 13.869 3.266 ( 3.060 -6.584 2.194) 7.585 3.504 ( 1.881 -10.918 6.283) 12.736 3.918 ( -16.520 -17.086 0.228) 23.767 4.200 ( -10.027 -11.918 -0.557) 15.585 4.448 ( 8.684 1.183 -2.129) 9.019 4.773 ( 8.997 -7.677 1.811) 11.965 4.830 ( 7.672 -18.517 -0.372) 20.047 5.461 ( -4.940 0.133 -4.808) 6.895 5.582 ( 1.804 -1.120 5.616) 6.004 6.862 ( -2.811 -7.505 1.138) 8.094 7.201 ( -0.836 -5.745 6.219) 8.508 7.537 ( 1.433 9.390 -1.853) 9.678 8.081 ( 0.578 2.974 -4.775) 5.655 8.118 ( -0.665 -3.313 -2.970) 4.499 8.352 ( 3.826 -1.981 1.610) 4.600 8.892 ( -2.965 -0.217 5.618) 6.356 8.992 ( -0.708 6.577 -0.411) 6.628 9.284 ( 0.883 -0.926 8.159) 8.258 9.513 ( 4.375 10.383 -9.244) 14.574 9.721 ( -9.578 5.058 -2.672) 11.157 10.585 ( 5.001 -2.286 -4.709) 7.240 10.697 ( 3.897 12.006 1.060) 12.667 11.279 ( 2.628 -2.353 -3.306) 4.834 12.033 ( 1.361 10.546 -0.898) 10.671 12.245 ( -0.332 0.131 -1.184) 1.236 13.766 ( 2.052 -11.783 7.064) 13.891 14.097 ( 4.918 -1.932 -3.482) 6.328 14.911 ( -0.475 -0.526 -2.674) 2.767 15.461 ( 1.553 12.131 1.775) 12.358 18.174 ( -9.842 3.352 0.572) 10.413 18.569 ( 8.360 6.315 3.178) 10.949 19.175 ( -1.721 2.988 -1.598) 3.801 20.228 ( -6.059 10.847 3.057) 12.795 ======================= Grid point 510 (244/324) ======================= q-point: (-0.21 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.402 ( -6.473 -0.652 2.696) 7.042 1.576 ( -5.970 -2.534 -0.737) 6.527 1.675 ( 1.102 0.535 -0.921) 1.533 2.071 ( -1.594 -2.214 1.398) 3.065 2.367 ( -7.012 -2.079 -1.211) 7.413 2.595 ( 2.572 -13.854 0.595) 14.103 2.747 ( -1.975 -4.541 -4.988) 7.028 3.022 ( 2.190 -8.409 -3.898) 9.524 3.253 ( 4.148 -5.892 -0.568) 7.228 3.479 ( 7.323 -10.005 4.049) 13.043 3.655 ( 3.200 -2.497 6.596) 7.745 3.995 ( -10.110 0.089 -10.239) 14.389 4.384 ( 6.234 1.183 -0.767) 6.392 4.479 ( -8.198 -11.931 6.510) 15.873 4.975 ( 2.250 -10.002 0.578) 10.268 5.236 ( 5.773 -18.519 0.180) 19.399 5.478 ( -5.427 -6.026 2.083) 8.373 5.685 ( 3.404 -8.063 -2.120) 9.006 6.930 ( -2.522 -1.811 4.034) 5.090 7.340 ( 1.951 -6.570 3.291) 7.602 7.427 ( 2.091 2.920 -1.783) 4.009 8.013 ( 0.076 2.850 -4.997) 5.753 8.168 ( -1.537 -3.081 -2.095) 4.031 8.422 ( 4.597 -2.372 1.266) 5.325 8.835 ( 6.031 6.820 -0.267) 9.108 8.889 ( -8.176 3.205 3.301) 9.382 9.271 ( 3.385 8.749 3.129) 9.889 9.378 ( 0.228 0.117 -8.430) 8.433 9.629 ( -7.756 -1.583 2.227) 8.223 10.488 ( 1.895 12.820 0.670) 12.977 10.528 ( 2.970 7.580 0.833) 8.183 11.407 ( 3.924 -8.442 -2.816) 9.725 11.822 ( 4.290 12.003 -0.897) 12.778 12.252 ( -0.963 -1.370 -1.340) 2.145 13.911 ( -0.796 -1.046 8.406) 8.508 14.207 ( 9.187 -7.060 -6.675) 13.372 14.888 ( -3.173 0.968 -2.302) 4.038 15.255 ( 3.069 11.077 1.547) 11.598 18.070 ( -8.382 2.538 -0.369) 8.766 18.528 ( 7.206 3.029 2.050) 8.081 19.111 ( -1.005 2.602 -1.044) 2.978 19.997 ( -7.730 10.389 2.186) 13.132 ======================= Grid point 511 (245/324) ======================= q-point: (-0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.402 ( -2.473 -1.066 0.987) 2.868 1.595 ( -3.678 -2.253 -0.285) 4.322 1.664 ( 0.507 0.740 -0.510) 1.032 2.093 ( -1.207 -0.721 0.694) 1.568 2.363 ( -2.876 -1.234 -4.159) 5.205 2.814 ( 0.999 -4.099 -3.683) 5.601 2.884 ( 1.492 -14.369 1.012) 14.482 3.136 ( -0.104 -4.646 -3.315) 5.708 3.406 ( -0.211 -8.124 1.854) 8.336 3.702 ( 4.607 -8.579 4.667) 10.799 3.716 ( 4.127 -1.050 5.892) 7.270 3.830 ( -7.528 6.778 -11.877) 15.610 4.278 ( 8.618 10.481 -0.537) 13.580 4.659 ( -5.046 -3.154 8.866) 10.678 5.182 ( -4.501 -13.228 0.000) 13.972 5.513 ( -0.534 -9.714 -0.589) 9.746 5.670 ( 0.199 -12.735 5.152) 13.739 5.891 ( 3.735 -12.119 -6.110) 14.077 6.994 ( 2.028 -4.733 4.051) 6.552 7.409 ( 1.771 -0.131 -0.394) 1.819 7.462 ( 0.567 -4.209 -0.339) 4.261 7.948 ( -2.243 2.169 -3.579) 4.748 8.179 ( -2.113 0.912 -1.870) 2.966 8.488 ( 5.043 -0.508 2.770) 5.776 8.754 ( 10.754 4.586 -2.848) 12.033 8.804 ( -9.391 0.790 2.511) 9.753 9.091 ( 5.377 11.582 0.925) 12.803 9.363 ( -6.239 -1.655 -7.373) 9.799 9.702 ( -4.682 -6.765 4.364) 9.313 10.222 ( -4.468 13.459 0.170) 14.182 10.428 ( 8.656 6.877 5.608) 12.397 11.466 ( -0.942 5.409 -1.283) 5.638 11.728 ( 8.126 -1.738 -2.927) 8.811 12.273 ( -0.804 -1.727 -1.081) 2.190 13.903 ( -1.175 2.365 3.326) 4.246 14.361 ( 8.665 -5.187 -4.118) 10.906 14.837 ( -4.247 1.374 -1.086) 4.594 15.097 ( 3.190 7.749 1.632) 8.537 17.992 ( -5.947 1.652 -0.605) 6.201 18.539 ( 5.960 0.149 1.022) 6.049 19.061 ( -0.301 1.996 -0.561) 2.095 19.782 ( -7.703 8.495 1.548) 11.571 ======================= Grid point 512 (246/324) ======================= q-point: (-0.07 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.418 ( 0.668 -0.883 -0.679) 1.299 1.620 ( -2.323 -1.991 0.066) 3.060 1.650 ( -0.469 0.652 0.015) 0.804 2.095 ( -0.631 0.087 0.095) 0.644 2.356 ( 1.623 0.032 -6.000) 6.215 2.883 ( 2.891 -3.000 -2.650) 4.938 3.095 ( 0.977 -5.091 -0.649) 5.225 3.193 ( -2.515 -3.041 -0.205) 3.951 3.505 ( -1.893 0.441 -0.656) 2.051 3.683 ( -2.430 -2.860 -5.215) 6.425 3.789 ( -1.774 -3.145 3.042) 4.721 3.887 ( 1.893 -6.492 2.221) 7.118 4.126 ( 9.113 8.317 3.993) 12.968 4.612 ( -3.383 6.185 4.753) 8.503 5.401 ( -5.725 -11.263 1.546) 12.729 5.645 ( 0.276 -4.438 -0.285) 4.456 5.877 ( 0.662 -6.487 2.979) 7.169 6.097 ( 2.716 -8.874 -5.101) 10.590 7.158 ( 3.930 -9.386 2.478) 10.473 7.425 ( 1.948 0.058 -0.428) 1.995 7.504 ( 0.597 -0.915 -1.634) 1.966 7.848 ( -6.463 6.203 -2.060) 9.191 8.146 ( 0.448 -0.823 -1.603) 1.857 8.455 ( 2.669 6.719 1.654) 7.416 8.793 ( -3.116 -3.618 0.068) 4.775 8.813 ( 6.726 -4.617 0.642) 8.184 8.923 ( 5.792 9.654 2.796) 11.600 9.310 ( -8.944 1.068 -7.710) 11.856 9.764 ( -4.008 1.658 -5.079) 6.680 10.039 ( -4.489 1.036 11.243) 12.150 10.393 ( 9.239 3.549 5.144) 11.154 11.320 ( -0.449 6.501 -1.477) 6.682 11.820 ( 3.845 -3.635 -4.079) 6.682 12.297 ( -0.278 -1.243 -0.704) 1.455 13.852 ( -1.144 2.708 0.720) 3.026 14.447 ( 6.354 -0.927 -3.845) 7.484 14.807 ( -2.803 -0.537 1.140) 3.073 15.004 ( 1.318 3.970 1.403) 4.412 17.943 ( -2.981 0.980 -0.417) 3.165 18.578 ( 3.624 -0.978 0.234) 3.761 19.030 ( 0.266 1.165 -0.322) 1.238 19.622 ( -5.439 4.975 1.249) 7.476 ======================= Grid point 521 (247/324) ======================= q-point: (-0.43 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.402 ( -19.958 -0.000 -2.034) 20.061 1.446 ( -14.762 -0.000 4.552) 15.448 1.675 ( -2.037 -0.000 -1.556) 2.563 1.807 ( 10.727 0.000 -3.766) 11.369 2.002 ( 7.824 0.000 -5.407) 9.510 2.125 ( 2.110 0.000 6.794) 7.114 2.504 ( -0.474 -0.000 8.006) 8.020 2.660 ( 4.169 0.000 0.781) 4.242 2.726 ( -12.522 -0.000 -11.039) 16.693 2.749 ( 2.184 0.000 4.211) 4.744 3.045 ( -8.477 -0.000 -0.274) 8.482 3.549 ( -18.795 -0.000 -0.606) 18.805 3.640 ( -1.619 -0.000 -1.668) 2.324 4.146 ( 22.266 0.000 -3.486) 22.537 4.515 ( 7.891 0.000 5.579) 9.664 4.661 ( 5.164 0.000 1.733) 5.447 5.529 ( 5.732 0.000 11.213) 12.593 5.703 ( -8.146 -0.000 -8.627) 11.865 6.347 ( -1.554 -0.000 0.099) 1.557 6.894 ( 1.630 0.000 -0.841) 1.834 7.936 ( -6.091 -0.000 -0.547) 6.116 8.033 ( 1.326 0.000 -2.000) 2.400 8.265 ( -2.147 -0.000 1.006) 2.371 8.559 ( 0.114 0.000 -1.688) 1.692 8.666 ( -3.138 -0.000 22.159) 22.380 9.259 ( 1.837 0.000 1.245) 2.220 9.263 ( 1.694 0.000 4.654) 4.952 9.823 ( -9.039 -0.000 -8.630) 12.497 9.916 ( -1.268 -0.000 -0.021) 1.268 10.464 ( 11.435 0.000 -32.519) 34.471 11.120 ( 1.793 0.000 -1.662) 2.445 11.302 ( 4.770 0.000 0.549) 4.802 12.303 ( 0.622 0.000 0.597) 0.863 12.613 ( -0.057 -0.000 -0.646) 0.649 12.713 ( -2.147 -0.000 -4.525) 5.009 14.108 ( -2.740 -0.000 8.932) 9.342 14.846 ( 2.865 0.000 -2.902) 4.078 15.876 ( -0.325 -0.000 2.951) 2.969 18.347 ( -9.597 -0.000 2.522) 9.923 18.836 ( 12.963 0.000 5.328) 14.015 19.341 ( -5.280 -0.000 -0.521) 5.306 20.638 ( 0.438 0.000 5.149) 5.167 ======================= Grid point 522 (248/324) ======================= q-point: (-0.36 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.322 ( -19.699 -3.317 -0.497) 19.983 1.431 ( -16.309 -4.420 4.356) 17.449 1.668 ( -1.214 -0.661 -1.881) 2.334 1.868 ( 7.253 -1.928 -0.436) 7.517 2.085 ( 2.924 -6.329 -2.968) 7.578 2.175 ( 2.639 -2.264 2.477) 4.270 2.551 ( -6.954 -3.069 12.169) 14.348 2.631 ( -1.368 -1.554 -11.433) 11.619 2.777 ( 5.045 -6.795 -3.556) 9.180 2.908 ( 2.235 -13.307 3.091) 13.843 3.040 ( -14.117 -7.716 0.127) 16.089 3.462 ( -12.255 -0.269 1.270) 12.324 3.741 ( -3.481 -10.584 -1.307) 11.218 4.295 ( 18.369 -4.983 -0.007) 19.033 4.544 ( 7.757 1.366 -2.601) 8.295 4.704 ( 8.835 0.276 4.166) 9.772 5.547 ( -1.891 2.196 -2.964) 4.146 5.632 ( -1.615 2.030 4.295) 5.018 6.446 ( -1.332 -10.257 0.056) 10.343 6.959 ( 1.246 -5.556 0.477) 5.714 7.872 ( -5.910 3.627 1.091) 7.020 8.040 ( 1.209 -0.262 -1.271) 1.774 8.235 ( -6.843 2.435 -0.758) 7.302 8.419 ( 5.553 8.792 5.276) 11.661 8.795 ( -1.474 -4.063 10.771) 11.606 9.220 ( -1.308 4.215 -0.788) 4.483 9.282 ( 1.939 0.142 2.024) 2.806 9.793 ( -11.058 -2.785 0.034) 11.404 9.862 ( -0.865 4.537 -2.852) 5.428 10.409 ( 10.776 -0.113 -27.524) 29.559 11.076 ( 3.528 5.601 -0.931) 6.685 11.314 ( 4.600 1.561 -0.531) 4.887 12.284 ( 0.177 3.141 -0.300) 3.161 12.384 ( -2.206 9.091 -0.745) 9.384 13.046 ( 1.289 -22.700 -2.814) 22.910 14.117 ( -0.106 1.086 7.890) 7.965 14.864 ( 2.498 -1.231 -2.821) 3.964 15.829 ( 0.487 5.821 2.741) 6.452 18.285 ( -10.278 1.850 2.059) 10.644 18.859 ( 12.674 6.201 3.863) 14.629 19.282 ( -5.645 2.352 -1.064) 6.208 20.594 ( -0.289 6.880 5.475) 8.798 ======================= Grid point 523 (249/324) ======================= q-point: (-0.29 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.316 ( -16.385 -5.141 1.996) 17.288 1.442 ( -14.706 -3.936 3.060) 15.528 1.672 ( -0.242 -0.722 -1.749) 1.908 1.945 ( 2.500 -3.157 1.860) 4.435 2.205 ( -6.852 -6.532 1.662) 9.612 2.253 ( 2.600 -4.642 0.032) 5.321 2.565 ( -9.800 -3.582 -8.863) 13.690 2.720 ( 7.711 -6.097 0.803) 9.863 2.976 ( 8.452 -11.987 -0.463) 14.675 3.181 ( -2.055 -9.134 0.302) 9.368 3.238 ( 2.000 -16.871 1.789) 17.083 3.490 ( -17.908 -12.236 5.596) 22.400 3.937 ( -5.798 -11.784 -1.550) 13.225 4.483 ( 9.832 -2.446 1.260) 10.210 4.595 ( 10.820 -8.633 -7.156) 15.582 4.769 ( 10.897 -0.687 4.138) 11.677 5.438 ( -7.958 2.622 -8.556) 11.975 5.632 ( 3.278 1.986 9.131) 9.903 6.661 ( -1.649 -11.890 -0.397) 12.011 7.092 ( -0.005 -6.995 3.407) 7.780 7.733 ( -2.138 9.348 2.895) 10.017 8.043 ( -2.639 -1.111 -3.173) 4.274 8.129 ( -2.688 2.684 -1.973) 4.281 8.384 ( 7.533 1.896 3.600) 8.562 8.866 ( -1.663 -1.990 5.987) 6.524 9.101 ( -2.999 5.932 -2.124) 6.978 9.294 ( 1.806 -0.082 0.309) 1.834 9.672 ( -5.037 8.591 -6.466) 11.874 9.786 ( -5.375 3.965 4.564) 8.089 10.479 ( 10.148 -7.837 -14.477) 19.338 10.945 ( 4.920 10.321 1.709) 11.561 11.291 ( 3.374 2.117 -2.294) 4.597 12.177 ( -1.641 5.797 -1.198) 6.143 12.280 ( 0.302 3.605 -0.465) 3.648 13.482 ( 4.880 -21.075 -0.275) 21.634 14.119 ( 2.754 1.337 4.126) 5.137 14.887 ( 1.015 -0.870 -3.205) 3.472 15.688 ( 1.479 10.114 2.244) 10.465 18.187 ( -10.422 3.251 0.937) 10.957 18.773 ( 9.114 9.090 3.294) 13.287 19.208 ( -3.227 2.361 -1.838) 4.400 20.417 ( -5.404 11.349 4.697) 13.419 ======================= Grid point 524 (250/324) ======================= q-point: (-0.21 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.337 ( -10.888 -3.409 3.433) 11.915 1.461 ( -11.020 -4.725 1.101) 12.041 1.678 ( 0.305 -0.283 -1.412) 1.472 2.017 ( -0.775 -3.129 2.216) 3.912 2.265 ( -10.788 -4.257 3.457) 12.102 2.392 ( 2.639 -8.967 -0.521) 9.362 2.577 ( -6.768 -6.476 -12.063) 15.273 2.901 ( 8.270 -7.572 2.378) 11.462 3.213 ( 10.527 -3.081 -3.260) 11.443 3.334 ( 5.886 -10.892 4.157) 13.060 3.540 ( -0.057 -13.236 -1.335) 13.303 3.751 ( -17.239 -17.673 7.146) 25.702 4.096 ( -8.692 -11.432 -1.314) 14.421 4.518 ( 9.033 1.050 -5.182) 10.466 4.860 ( 5.245 -7.601 3.342) 9.821 4.934 ( 11.844 -14.775 -0.331) 18.939 5.361 ( -7.723 -2.027 -4.651) 9.240 5.640 ( 2.291 0.624 4.828) 5.380 6.835 ( -3.656 -7.601 1.078) 8.503 7.237 ( 0.819 -6.795 4.766) 8.340 7.558 ( 3.090 9.063 1.176) 9.648 8.036 ( -2.399 -0.570 -3.582) 4.349 8.099 ( -0.688 -0.299 -3.497) 3.576 8.418 ( 5.429 -0.945 2.403) 6.011 8.886 ( -5.764 0.080 3.793) 6.901 8.981 ( 2.043 5.475 -0.555) 5.870 9.302 ( -0.368 -0.364 -2.955) 3.000 9.476 ( 0.356 6.783 -10.478) 12.487 9.663 ( -5.446 7.136 9.845) 13.323 10.590 ( 2.704 -0.320 -6.751) 7.279 10.772 ( 6.293 11.515 5.044) 14.058 11.307 ( 7.179 -3.400 -2.926) 8.465 12.040 ( 0.898 8.863 -0.967) 8.960 12.231 ( -0.804 0.766 -1.164) 1.608 13.839 ( 3.762 -11.775 6.220) 13.838 14.137 ( 7.242 -1.641 -3.893) 8.384 14.879 ( -1.785 0.495 -3.611) 4.059 15.495 ( 2.700 11.795 1.800) 12.234 18.073 ( -9.702 3.042 -0.329) 10.173 18.668 ( 6.762 6.889 2.848) 10.064 19.148 ( -1.134 2.309 -1.743) 3.107 20.167 ( -9.817 11.734 3.505) 15.695 ======================= Grid point 525 (251/324) ======================= q-point: (-0.14 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.358 ( -4.808 -2.425 1.955) 5.729 1.505 ( -7.258 -4.435 0.726) 8.537 1.675 ( 0.199 0.344 -1.007) 1.083 2.064 ( -1.616 -1.933 1.148) 2.769 2.289 ( -7.418 -3.032 0.057) 8.014 2.614 ( -0.468 -13.228 1.217) 13.292 2.667 ( -2.719 -8.995 -8.632) 12.760 3.073 ( 8.119 -4.661 0.191) 9.364 3.285 ( 3.038 -4.280 -0.442) 5.267 3.584 ( 7.027 -8.565 2.049) 11.266 3.707 ( 1.562 -5.121 -2.028) 5.725 3.844 ( -8.142 0.593 -1.031) 8.228 4.366 ( -9.621 -17.940 4.272) 20.800 4.503 ( 6.176 3.021 1.385) 7.014 5.019 ( 4.383 -5.720 1.556) 7.372 5.279 ( 2.006 -14.677 -1.615) 14.901 5.445 ( -2.829 -11.124 2.768) 11.807 5.698 ( 2.062 -6.407 -2.397) 7.145 6.935 ( -1.642 -4.515 3.976) 6.237 7.375 ( 1.305 -5.614 2.456) 6.265 7.452 ( 4.196 4.160 -0.657) 5.945 7.992 ( 1.965 3.723 -4.379) 6.074 8.113 ( -6.164 -3.868 -2.808) 7.800 8.491 ( 5.524 -2.846 2.436) 6.675 8.811 ( -9.523 4.201 2.657) 10.742 8.911 ( 8.999 5.456 -0.855) 10.558 9.278 ( -4.206 -0.292 -4.692) 6.308 9.334 ( 6.239 8.812 -8.576) 13.789 9.599 ( -6.930 -1.508 10.807) 12.926 10.438 ( -4.469 11.681 -4.302) 13.226 10.643 ( 8.527 8.672 7.817) 14.457 11.449 ( 7.773 -5.597 -2.480) 9.894 11.860 ( 4.117 9.800 -1.097) 10.686 12.231 ( -1.195 -1.480 -1.409) 2.367 13.951 ( -1.034 1.243 7.032) 7.216 14.272 ( 11.536 -7.722 -7.000) 15.547 14.833 ( -4.102 1.241 -2.971) 5.215 15.299 ( 3.388 10.881 1.722) 11.525 17.981 ( -7.927 1.541 -1.040) 8.142 18.612 ( 6.203 3.475 2.108) 7.416 19.098 ( 0.056 2.197 -1.243) 2.525 19.914 ( -11.251 10.044 2.478) 15.285 ======================= Grid point 526 (252/324) ======================= q-point: (-0.07 -0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.391 ( -0.011 -2.059 -0.157) 2.065 1.552 ( -4.872 -3.479 0.953) 6.062 1.661 ( -0.369 0.764 -0.564) 1.019 2.083 ( -1.317 -0.841 0.204) 1.576 2.311 ( -2.726 -2.725 -3.161) 4.985 2.787 ( -1.048 -7.691 -3.127) 8.368 2.893 ( 0.151 -14.019 -1.178) 14.070 3.148 ( 5.020 -0.791 -2.367) 5.606 3.416 ( 0.253 -7.226 1.190) 7.328 3.647 ( -8.785 0.604 -11.030) 14.114 3.789 ( 4.513 -0.602 7.054) 8.395 3.810 ( 4.463 -2.274 2.050) 5.412 4.367 ( 7.560 9.465 2.709) 12.413 4.652 ( -6.937 -5.492 8.682) 12.396 5.149 ( -2.203 -9.595 0.298) 9.849 5.493 ( -2.044 -10.443 -1.139) 10.702 5.706 ( 1.188 -12.652 2.584) 12.968 5.889 ( 3.032 -12.203 -4.651) 13.407 7.045 ( 2.313 -6.095 4.294) 7.807 7.433 ( 2.833 0.072 -0.251) 2.845 7.465 ( 1.445 -2.859 -1.149) 3.403 7.908 ( -1.105 4.301 -3.463) 5.632 8.128 ( -4.676 -1.279 -2.526) 5.467 8.574 ( 7.270 0.903 3.915) 8.306 8.700 ( -11.533 0.221 2.021) 11.711 8.863 ( 12.219 3.706 -3.520) 13.245 9.157 ( 6.084 10.788 0.729) 12.407 9.249 ( -7.079 -0.542 -5.715) 9.115 9.672 ( -5.493 -5.565 2.300) 8.150 10.170 ( -5.893 11.330 1.082) 12.817 10.566 ( 8.459 6.994 7.829) 13.481 11.458 ( 1.051 6.875 -0.996) 7.025 11.796 ( 8.767 -0.367 -2.990) 9.271 12.259 ( -0.600 -2.168 -1.134) 2.519 13.905 ( -1.920 3.392 2.262) 4.507 14.428 ( 9.727 -4.134 -5.389) 11.864 14.788 ( -4.154 0.188 -0.586) 4.199 15.138 ( 2.491 8.384 1.785) 8.927 17.927 ( -5.503 0.156 -1.038) 5.602 18.606 ( 5.540 1.178 1.152) 5.780 19.059 ( 0.877 1.775 -0.809) 2.139 19.701 ( -10.081 7.111 1.837) 12.472 ======================= Grid point 536 (253/324) ======================= q-point: (-0.36 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.178 ( -21.376 -0.000 0.463) 21.381 1.296 ( -20.051 -0.000 5.934) 20.910 1.644 ( -1.599 -0.000 -2.799) 3.224 1.888 ( 4.954 0.000 1.902) 5.306 2.040 ( 5.079 0.000 -3.763) 6.321 2.169 ( 0.501 0.000 1.247) 1.344 2.497 ( -18.334 -0.000 8.862) 20.363 2.600 ( 7.039 0.000 -5.419) 8.883 2.733 ( 8.633 0.000 0.856) 8.676 2.794 ( 2.823 0.000 1.354) 3.131 2.827 ( -27.696 -0.000 -3.851) 27.963 3.459 ( -1.938 -0.000 1.725) 2.594 3.612 ( -2.521 -0.000 -0.241) 2.532 4.351 ( 18.484 0.000 0.484) 18.491 4.584 ( 6.588 0.000 -5.290) 8.448 4.778 ( 12.177 0.000 4.504) 12.983 5.511 ( -8.875 -0.000 -10.649) 13.863 5.695 ( 3.931 0.000 12.044) 12.670 6.326 ( -2.588 -0.000 0.069) 2.589 6.913 ( 2.646 0.000 -0.555) 2.703 7.864 ( -7.095 -0.000 0.381) 7.105 8.060 ( 3.253 0.000 1.906) 3.770 8.230 ( -4.528 -0.000 -0.522) 4.558 8.565 ( 1.309 0.000 0.677) 1.474 8.778 ( -1.136 -0.000 19.522) 19.555 9.248 ( -4.685 -0.000 -4.018) 6.172 9.290 ( 3.203 0.000 0.306) 3.218 9.681 ( -9.976 -0.000 -3.313) 10.512 9.895 ( -2.558 -0.000 -0.096) 2.560 10.365 ( 6.199 0.000 -29.039) 29.694 11.134 ( 3.969 0.000 -2.934) 4.936 11.378 ( 8.176 0.000 1.275) 8.275 12.314 ( 0.887 0.000 0.104) 0.893 12.611 ( 0.094 0.000 -0.155) 0.182 12.642 ( -6.469 -0.000 -3.797) 7.501 14.157 ( 0.695 0.000 8.767) 8.795 14.862 ( 3.722 0.000 -1.898) 4.178 15.898 ( 0.927 0.000 2.861) 3.008 18.257 ( -10.065 -0.000 1.768) 10.219 19.002 ( 14.139 0.000 1.675) 14.237 19.268 ( -7.585 -0.000 -0.498) 7.602 20.700 ( 4.232 0.000 6.685) 7.912 ======================= Grid point 537 (254/324) ======================= q-point: (-0.29 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.119 ( -20.140 -4.862 3.084) 20.947 1.276 ( -19.865 -5.652 6.408) 21.625 1.640 ( -1.268 -1.302 -2.927) 3.445 1.923 ( 0.927 -1.306 3.039) 3.435 2.086 ( -0.445 -3.452 -1.209) 3.684 2.190 ( -1.807 -2.593 0.520) 3.203 2.442 ( -9.681 -1.732 -5.076) 11.067 2.675 ( 5.658 -4.860 3.614) 8.288 2.747 ( -18.940 -8.273 -0.356) 20.671 2.899 ( 3.740 -11.433 -1.696) 12.148 2.952 ( 2.176 -13.758 2.835) 14.214 3.425 ( -0.461 2.539 2.539) 3.620 3.700 ( -3.920 -9.413 0.413) 10.205 4.475 ( 14.619 -4.079 0.318) 15.181 4.575 ( 6.749 2.194 -7.468) 10.303 4.848 ( 13.047 0.681 2.575) 13.316 5.409 ( -9.582 1.966 -9.358) 13.537 5.728 ( 3.926 2.360 10.795) 11.727 6.428 ( -2.038 -10.665 -0.302) 10.862 6.980 ( 2.194 -5.385 0.628) 5.848 7.821 ( -5.954 1.462 2.066) 6.469 8.054 ( 0.958 2.858 1.265) 3.269 8.157 ( -6.515 3.638 -0.631) 7.489 8.507 ( 5.365 4.914 3.909) 8.259 8.853 ( 0.474 -1.352 8.233) 8.356 9.170 ( -4.621 3.841 -4.037) 7.239 9.297 ( 2.359 0.162 -2.684) 3.577 9.707 ( -9.878 -3.497 8.257) 13.341 9.818 ( -3.237 4.390 -4.767) 7.244 10.344 ( 6.741 -5.074 -22.137) 23.690 11.111 ( 4.720 4.265 -1.753) 6.599 11.377 ( 7.359 4.222 0.262) 8.488 12.275 ( -1.608 5.776 -0.892) 6.061 12.355 ( -2.669 6.032 -0.174) 6.598 13.043 ( 1.653 -25.728 -2.795) 25.932 14.177 ( 1.780 1.160 7.327) 7.629 14.881 ( 4.127 -0.061 -1.697) 4.463 15.857 ( 1.434 5.795 2.621) 6.519 18.190 ( -9.813 2.146 0.894) 10.085 18.997 ( 9.214 7.576 1.787) 12.062 19.217 ( -3.854 1.176 -1.933) 4.469 20.634 ( 0.422 10.773 6.149) 12.412 ======================= Grid point 538 (255/324) ======================= q-point: (-0.21 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.164 ( -16.158 -7.916 4.736) 18.605 1.309 ( -15.764 -5.573 5.510) 17.605 1.655 ( -0.500 -1.473 -2.411) 2.869 1.966 ( -1.651 -2.524 2.374) 3.838 2.136 ( -9.604 -4.312 4.171) 11.324 2.257 ( -2.204 -5.684 -0.642) 6.130 2.421 ( -1.951 -2.852 -13.842) 14.267 2.833 ( 9.372 -5.513 5.657) 12.256 2.982 ( -13.938 -24.117 3.357) 28.056 3.162 ( 6.357 -12.456 -3.378) 14.387 3.265 ( 3.481 -12.728 -1.045) 13.236 3.430 ( -4.155 -6.676 8.098) 11.288 3.872 ( -5.903 -10.013 0.282) 11.627 4.548 ( 7.078 0.978 -8.987) 11.481 4.669 ( 8.481 -10.493 -1.493) 13.574 4.917 ( 13.241 -0.669 2.272) 13.451 5.298 ( -8.985 1.556 -5.745) 10.778 5.719 ( 2.646 3.400 7.902) 9.001 6.633 ( -2.844 -11.338 -0.878) 11.722 7.119 ( 1.332 -7.319 2.811) 7.952 7.743 ( -0.825 6.476 4.582) 7.976 7.985 ( -4.902 1.194 -2.592) 5.673 8.100 ( -1.407 0.217 -0.623) 1.554 8.477 ( 6.075 3.211 1.822) 7.109 8.871 ( -2.393 0.317 1.103) 2.654 9.070 ( -0.361 3.653 0.827) 3.763 9.298 ( 2.773 0.258 -4.716) 5.477 9.563 ( -7.710 8.264 -6.227) 12.904 9.791 ( -3.919 2.793 10.625) 11.664 10.493 ( 8.455 -9.216 -11.975) 17.315 11.009 ( 4.729 8.769 2.096) 10.181 11.336 ( 7.972 2.718 -1.628) 8.579 12.146 ( -2.689 4.643 -1.310) 5.523 12.277 ( -0.477 3.716 -0.299) 3.759 13.537 ( 6.932 -23.372 -1.579) 24.430 14.181 ( 3.808 1.802 4.083) 5.866 14.879 ( 1.686 1.312 -3.257) 3.895 15.722 ( 2.169 9.897 2.142) 10.356 18.085 ( -9.594 3.506 -0.299) 10.219 18.863 ( 3.779 9.395 2.810) 10.509 19.177 ( 0.773 1.745 -2.675) 3.286 20.374 ( -9.510 14.572 4.950) 18.091 ======================= Grid point 539 (256/324) ======================= q-point: (-0.14 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.252 ( -9.724 -6.502 4.158) 12.414 1.365 ( -9.940 -5.963 3.331) 12.061 1.669 ( -0.107 -0.703 -1.781) 1.918 2.012 ( -2.442 -2.819 0.921) 3.842 2.178 ( -11.080 -4.208 4.968) 12.852 2.385 ( -5.144 -10.140 -0.192) 11.372 2.470 ( 3.534 -6.841 -12.464) 14.651 3.015 ( 8.801 -6.500 4.980) 12.021 3.285 ( 6.729 0.540 -2.252) 7.116 3.416 ( -4.529 -23.033 0.772) 23.487 3.447 ( -0.408 -10.120 -6.034) 11.790 3.715 ( -3.853 -14.370 13.019) 19.770 4.004 ( -7.420 -9.938 -1.425) 12.484 4.568 ( 7.822 -1.176 -6.825) 10.447 4.919 ( 3.934 -11.217 -1.378) 11.966 5.053 ( 9.450 -6.861 1.790) 11.814 5.262 ( -6.039 -5.149 -1.257) 8.035 5.684 ( 0.858 2.689 3.904) 4.817 6.803 ( -3.596 -8.660 0.741) 9.406 7.274 ( 1.369 -6.958 3.436) 7.880 7.610 ( 4.079 8.929 2.706) 10.183 7.971 ( -7.969 -3.768 -1.871) 9.011 8.083 ( 4.179 2.770 -4.716) 6.883 8.466 ( 0.904 -0.828 0.250) 1.251 8.843 ( -4.492 1.622 3.745) 6.069 9.030 ( 5.071 3.123 0.644) 5.990 9.262 ( -0.464 2.690 -5.905) 6.505 9.409 ( 0.317 2.125 -10.014) 10.242 9.699 ( -4.313 7.889 14.871) 17.378 10.556 ( -0.405 3.438 -7.543) 8.299 10.876 ( 6.381 9.028 6.497) 12.823 11.397 ( 13.709 -4.103 -2.675) 14.558 12.036 ( -0.578 6.883 -0.929) 6.969 12.215 ( -1.228 1.406 -0.874) 2.061 13.918 ( 4.062 -10.820 5.472) 12.787 14.195 ( 9.119 -1.783 -4.492) 10.321 14.830 ( -2.386 1.985 -4.608) 5.555 15.536 ( 3.002 11.473 1.820) 11.998 17.973 ( -8.586 2.700 -1.247) 9.087 18.739 ( 3.322 6.282 2.902) 7.676 19.139 ( 2.158 2.250 -2.163) 3.795 20.065 ( -14.541 12.324 3.735) 19.424 ======================= Grid point 540 (257/324) ======================= q-point: (-0.07 -0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.331 ( -2.186 -4.341 1.145) 4.994 1.442 ( -6.743 -5.492 2.348) 9.008 1.667 ( -0.250 0.226 -1.257) 1.301 2.049 ( -2.013 -2.048 0.055) 2.872 2.215 ( -7.840 -4.066 1.722) 8.998 2.569 ( -4.143 -12.010 -3.247) 13.113 2.641 ( 3.518 -11.748 -4.450) 13.046 3.166 ( 7.950 -2.323 1.919) 8.502 3.314 ( 2.976 -3.109 -0.082) 4.305 3.525 ( -9.473 -4.598 -12.801) 16.576 3.740 ( 6.736 -8.972 1.520) 11.322 3.855 ( 2.055 0.027 7.795) 8.061 4.289 ( -10.201 -21.763 5.483) 24.652 4.586 ( 7.211 3.326 2.544) 8.339 5.072 ( 3.781 -2.690 1.168) 4.785 5.243 ( -4.439 -12.981 -4.233) 14.357 5.462 ( 1.925 -13.513 2.188) 13.824 5.704 ( 1.403 -5.693 -0.748) 5.911 6.941 ( -1.403 -7.184 2.934) 7.886 7.399 ( 0.576 -4.383 2.069) 4.880 7.500 ( 4.939 4.918 -0.366) 6.980 8.002 ( 5.426 6.022 -4.836) 9.439 8.015 ( -8.534 -5.371 -2.378) 10.360 8.534 ( -1.368 -5.614 2.021) 6.122 8.758 ( -3.173 6.346 3.901) 8.097 8.996 ( 8.250 3.926 -2.910) 9.589 9.197 ( -2.765 1.086 -5.079) 5.884 9.359 ( 7.058 4.939 -6.740) 10.938 9.601 ( -7.726 2.079 13.039) 15.298 10.358 ( -5.432 11.503 -4.824) 13.605 10.776 ( 6.713 8.063 8.514) 13.512 11.539 ( 12.015 -1.295 -1.679) 12.201 11.890 ( 2.964 6.789 -1.274) 7.516 12.211 ( -0.978 -1.671 -1.241) 2.300 13.976 ( -1.988 3.639 5.875) 7.191 14.353 ( 12.709 -7.724 -7.805) 16.796 14.768 ( -4.590 0.910 -3.255) 5.700 15.344 ( 2.952 10.974 1.822) 11.509 17.896 ( -6.615 0.659 -1.585) 6.834 18.680 ( 4.254 3.143 2.168) 5.716 19.103 ( 2.889 2.283 -1.504) 3.977 19.796 ( -14.615 9.077 2.772) 17.427 ======================= Grid point 551 (258/324) ======================= q-point: (-0.29 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.983 ( -20.258 -0.000 7.285) 21.528 1.117 ( -22.431 -0.000 7.955) 23.800 1.605 ( -1.690 -0.000 -3.936) 4.284 1.910 ( -5.869 -0.000 3.962) 7.081 2.062 ( 3.041 0.000 -2.432) 3.894 2.145 ( -7.193 -0.000 4.964) 8.740 2.360 ( -12.775 -0.000 1.515) 12.864 2.468 ( -25.136 -0.000 -10.678) 27.310 2.735 ( 10.248 0.000 7.920) 12.951 2.811 ( 5.261 0.000 -5.031) 7.279 2.853 ( 8.408 0.000 4.180) 9.389 3.470 ( 0.389 0.000 2.054) 2.090 3.586 ( -3.329 -0.000 1.465) 3.637 4.490 ( 10.193 0.000 -9.075) 13.647 4.642 ( 11.008 0.000 -0.714) 11.031 4.926 ( 12.962 0.000 -1.050) 13.004 5.355 ( -8.482 -0.000 -6.280) 10.554 5.809 ( 3.295 0.000 11.086) 11.565 6.297 ( -3.017 -0.000 0.038) 3.017 6.940 ( 3.137 0.000 -0.219) 3.145 7.795 ( -7.067 -0.000 0.667) 7.098 8.111 ( 2.124 0.000 3.397) 4.006 8.173 ( -4.929 -0.000 -1.278) 5.092 8.587 ( 0.836 0.000 2.048) 2.212 8.874 ( 1.645 0.000 8.571) 8.728 9.146 ( -5.292 -0.000 -7.976) 9.572 9.330 ( 4.495 0.000 -0.441) 4.517 9.600 ( -8.488 -0.000 10.318) 13.361 9.862 ( -3.664 -0.000 -0.187) 3.668 10.213 ( -3.396 -0.000 -24.162) 24.400 11.165 ( 5.526 0.000 -3.382) 6.479 11.475 ( 8.933 0.000 0.486) 8.946 12.322 ( 0.976 0.000 -0.435) 1.069 12.537 ( -9.954 -0.000 -1.944) 10.142 12.613 ( 0.227 0.000 0.386) 0.448 14.215 ( 0.258 0.000 6.547) 6.552 14.916 ( 8.356 0.000 1.090) 8.426 15.929 ( 1.515 0.000 2.776) 3.162 18.165 ( -8.872 -0.000 0.311) 8.878 19.109 ( -0.734 -0.000 1.925) 2.060 19.215 ( 5.505 0.000 -4.438) 7.071 20.802 ( 7.475 0.000 4.594) 8.774 ======================= Grid point 552 (259/324) ======================= q-point: (-0.21 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.960 ( -17.961 -5.458 10.043) 21.290 1.111 ( -20.659 -7.190 8.792) 23.575 1.605 ( -1.185 -2.005 -3.937) 4.575 1.902 ( -9.515 -2.658 2.785) 10.265 2.055 ( -6.414 -0.475 2.518) 6.907 2.163 ( -3.352 -2.563 1.901) 4.628 2.347 ( 0.220 -1.430 -9.903) 10.008 2.452 ( -26.946 -17.553 1.479) 32.193 2.834 ( 11.127 -2.232 7.415) 13.557 2.939 ( 5.127 -11.518 -5.892) 13.917 3.034 ( 9.186 -11.736 4.411) 15.543 3.444 ( -0.035 2.562 2.786) 3.785 3.665 ( -4.577 -8.467 2.205) 9.874 4.519 ( 5.301 -2.660 -15.511) 16.606 4.654 ( 8.893 2.923 -0.833) 9.398 4.982 ( 12.182 -0.069 -1.866) 12.324 5.286 ( -5.588 2.208 -0.868) 6.071 5.823 ( 2.165 3.067 8.930) 9.687 6.401 ( -2.319 -10.619 -0.747) 10.895 7.010 ( 2.641 -5.310 0.732) 5.975 7.771 ( -6.193 -0.760 1.447) 6.405 8.040 ( -5.189 5.685 -1.249) 7.798 8.119 ( -1.313 2.885 2.527) 4.053 8.573 ( 3.361 2.484 2.162) 4.705 8.885 ( 1.174 1.369 -1.929) 2.641 9.110 ( -1.364 0.551 -3.026) 3.365 9.317 ( 4.719 1.485 -0.888) 5.026 9.676 ( -9.081 7.668 4.986) 12.888 9.758 ( -4.174 -5.039 6.231) 9.035 10.272 ( 2.681 -12.668 -15.051) 19.855 11.149 ( 4.707 3.688 -1.816) 6.249 11.461 ( 8.389 5.206 -0.218) 9.876 12.237 ( -4.583 8.157 -0.473) 9.368 12.332 ( -1.699 2.869 -0.023) 3.335 13.048 ( 2.811 -29.033 -2.586) 29.283 14.229 ( 0.052 0.279 4.968) 4.976 14.944 ( 9.252 3.030 1.023) 9.789 15.889 ( 1.677 5.754 2.543) 6.510 18.096 ( -8.391 2.538 -0.670) 8.792 19.028 ( -5.796 6.040 2.543) 8.748 19.224 ( 9.816 2.302 -5.178) 11.334 20.659 ( -2.665 16.925 3.041) 17.402 ======================= Grid point 553 (260/324) ======================= q-point: (-0.14 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 592 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.054 ( -13.384 -9.066 9.522) 18.761 1.194 ( -13.862 -7.979 7.508) 17.669 1.633 ( -0.388 -2.174 -3.117) 3.819 1.927 ( -6.501 -4.045 -1.287) 7.764 2.059 ( -11.563 -3.671 5.820) 13.456 2.209 ( -4.493 -4.824 -0.353) 6.602 2.366 ( 5.334 -3.411 -11.161) 12.831 2.812 ( -19.898 -29.064 5.305) 35.620 2.978 ( 10.296 -4.642 6.398) 12.981 3.208 ( 5.537 -14.848 -6.077) 16.972 3.323 ( 9.410 -5.704 -1.473) 11.102 3.459 ( -1.500 -9.222 9.209) 13.119 3.819 ( -5.620 -8.702 1.872) 10.527 4.534 ( 4.691 -1.896 -14.113) 14.992 4.703 ( 2.133 -7.657 -8.272) 11.472 5.068 ( 12.671 -2.544 2.903) 13.246 5.212 ( -4.457 2.924 2.817) 6.029 5.781 ( 0.534 4.566 6.130) 7.663 6.594 ( -3.316 -10.947 -1.090) 11.490 7.152 ( 1.882 -7.531 2.201) 8.069 7.761 ( -1.381 1.280 3.428) 3.911 7.908 ( -6.568 4.624 -3.169) 8.635 8.094 ( 0.205 -1.284 0.816) 1.534 8.519 ( 2.526 5.306 -2.239) 6.288 8.855 ( -0.703 0.442 1.558) 1.766 9.090 ( 1.507 1.536 -0.087) 2.154 9.320 ( 6.473 2.182 -1.715) 7.043 9.437 ( -7.485 6.752 -8.014) 12.878 9.830 ( -4.424 2.239 15.433) 16.210 10.500 ( 6.279 -8.347 -10.075) 14.512 11.071 ( 4.843 6.701 2.591) 8.664 11.431 ( 12.039 1.276 -1.821) 12.243 12.110 ( -2.717 3.617 -0.990) 4.631 12.263 ( -2.132 3.805 0.028) 4.362 13.604 ( 8.601 -25.340 -2.922) 26.919 14.239 ( 2.614 0.823 3.125) 4.156 14.889 ( 4.119 6.069 -2.595) 7.780 15.758 ( 2.170 9.609 2.109) 10.074 17.987 ( -8.176 3.712 -1.530) 9.108 18.881 ( -3.286 7.003 3.013) 8.302 19.202 ( 7.879 3.107 -3.684) 9.236 20.270 ( -16.700 17.317 4.030) 24.393 ======================= Grid point 554 (261/324) ======================= q-point: (-0.07 -0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.196 ( -6.753 -8.507 5.782) 12.305 1.301 ( -7.023 -6.769 4.604) 10.786 1.654 ( -0.165 -1.033 -2.257) 2.488 1.977 ( -3.564 -4.205 -1.787) 5.795 2.098 ( -11.398 -4.365 6.321) 13.745 2.319 ( -3.574 -9.952 -2.908) 10.967 2.469 ( 6.120 -7.429 -6.970) 11.884 3.139 ( 8.069 -5.193 6.374) 11.519 3.224 ( -15.011 -18.896 -6.633) 25.028 3.339 ( 4.032 1.721 -1.463) 4.622 3.516 ( 6.337 -17.051 0.323) 18.194 3.788 ( 1.739 -14.972 12.080) 19.316 3.926 ( -5.589 -7.396 -1.588) 9.405 4.594 ( 6.155 -5.164 -7.884) 11.257 4.897 ( -2.150 -15.194 -9.359) 17.974 5.125 ( 1.168 3.554 4.050) 5.514 5.270 ( 5.540 -9.530 4.751) 12.004 5.706 ( -0.962 3.956 3.092) 5.112 6.771 ( -3.153 -9.891 0.394) 10.389 7.308 ( 1.406 -6.694 2.622) 7.326 7.659 ( 2.148 9.259 0.046) 9.505 7.860 ( -9.471 -4.880 -1.740) 10.796 8.131 ( 9.266 2.380 -2.747) 9.954 8.436 ( -4.876 -0.447 -1.260) 5.056 8.858 ( -0.452 2.508 6.935) 7.389 9.044 ( -0.979 1.901 -4.615) 5.087 9.255 ( 2.932 4.387 0.350) 5.288 9.373 ( 5.634 -0.700 -9.947) 11.454 9.746 ( -5.333 8.314 15.499) 18.379 10.491 ( -2.420 6.322 -8.218) 10.648 10.980 ( 5.409 7.420 6.964) 11.524 11.549 ( 18.643 -4.688 -3.258) 19.498 12.018 ( -1.924 5.825 -0.316) 6.142 12.193 ( -2.170 1.247 -0.443) 2.541 13.987 ( 2.635 -8.642 4.965) 10.309 14.266 ( 10.325 -2.923 -5.203) 11.926 14.773 ( -2.487 4.208 -5.506) 7.363 15.577 ( 2.606 11.255 1.869) 11.703 17.882 ( -6.848 2.240 -1.925) 7.458 18.773 ( 0.004 4.434 2.830) 5.260 19.172 ( 7.005 3.136 -2.282) 8.007 19.912 ( -19.506 11.718 3.811) 23.072 ======================= Grid point 566 (262/324) ======================= q-point: (-0.21 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.864 ( -16.588 -0.000 15.974) 23.029 0.941 ( -22.646 -0.000 10.822) 25.099 1.561 ( -1.382 -0.000 -5.125) 5.308 1.797 ( -22.326 -0.000 9.210) 24.151 2.073 ( 1.743 0.000 -1.566) 2.343 2.098 ( -30.203 -0.000 6.657) 30.928 2.141 ( -2.304 -0.000 0.939) 2.488 2.316 ( 2.987 0.000 -11.899) 12.269 2.814 ( 2.774 0.000 -6.311) 6.893 2.918 ( 13.468 0.000 9.388) 16.417 2.978 ( 10.662 0.000 2.912) 11.052 3.479 ( -1.477 -0.000 2.271) 2.709 3.562 ( -4.011 -0.000 2.994) 5.005 4.460 ( 2.753 0.000 -18.873) 19.073 4.730 ( 6.616 0.000 -9.530) 11.602 5.034 ( 11.529 0.000 -0.377) 11.535 5.306 ( 0.790 0.000 4.258) 4.331 5.897 ( 1.062 0.000 9.185) 9.246 6.266 ( -2.843 -0.000 0.020) 2.843 6.973 ( 3.109 0.000 0.113) 3.111 7.725 ( -7.103 -0.000 0.320) 7.110 8.108 ( -4.850 -0.000 -2.816) 5.608 8.116 ( -4.273 -0.000 -1.420) 4.503 8.605 ( -0.117 -0.000 2.444) 2.447 8.896 ( 2.150 0.000 -10.514) 10.731 9.086 ( 1.530 0.000 -1.779) 2.347 9.378 ( 5.486 0.000 -0.831) 5.548 9.671 ( -0.695 -0.000 29.625) 29.633 9.818 ( -4.495 -0.000 -0.293) 4.505 10.001 ( -12.843 -0.000 -14.038) 19.027 11.199 ( 4.593 0.000 -2.604) 5.280 11.560 ( 7.851 0.000 -1.503) 7.993 12.328 ( 0.884 0.000 -0.869) 1.239 12.425 ( -10.786 -0.000 1.673) 10.915 12.620 ( 0.309 0.000 0.830) 0.886 14.230 ( -3.161 -0.000 2.906) 4.294 15.063 ( 16.495 0.000 4.996) 17.235 15.962 ( 1.380 0.000 2.743) 3.070 18.079 ( -7.019 -0.000 -1.519) 7.181 19.041 ( -10.290 -0.000 2.386) 10.563 19.301 ( 13.914 0.000 -7.156) 15.646 20.871 ( 3.922 0.000 -6.421) 7.524 ======================= Grid point 567 (263/324) ======================= q-point: (-0.14 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.880 ( -14.238 -5.393 16.593) 22.520 0.973 ( -17.678 -9.059 12.085) 23.251 1.567 ( -0.789 -2.783 -5.101) 5.864 1.780 ( -16.731 -5.854 5.034) 18.427 1.957 ( -16.447 -1.448 1.343) 16.565 2.144 ( -2.637 -1.793 0.971) 3.333 2.266 ( -11.436 -16.229 6.275) 20.821 2.317 ( 5.179 -2.601 -8.882) 10.606 2.921 ( 2.375 -10.946 -5.554) 12.502 3.017 ( 11.988 -2.241 5.975) 13.581 3.170 ( 11.315 -11.170 4.180) 16.440 3.452 ( -2.018 1.949 2.967) 4.083 3.634 ( -4.833 -7.826 3.538) 9.855 4.431 ( -0.021 -3.205 -21.288) 21.528 4.658 ( 1.050 3.473 -13.171) 13.661 5.099 ( 10.260 -0.433 3.686) 10.910 5.301 ( 3.494 3.581 6.299) 8.044 5.881 ( -0.586 3.734 6.859) 7.832 6.371 ( -2.300 -10.084 -1.132) 10.405 7.042 ( 2.540 -5.278 0.806) 5.912 7.709 ( -6.761 -2.082 0.323) 7.082 7.953 ( -7.928 3.777 -3.960) 9.633 8.127 ( -0.079 2.438 1.285) 2.757 8.603 ( 0.984 1.457 0.656) 1.877 8.850 ( -0.986 0.159 -11.017) 11.062 9.109 ( 2.792 0.033 0.050) 2.792 9.383 ( 7.055 1.234 0.418) 7.174 9.555 ( -10.406 12.526 -3.860) 16.735 9.848 ( -0.839 -3.661 23.470) 23.768 10.237 ( 6.110 -19.791 -6.538) 21.720 11.187 ( 4.367 2.827 -0.657) 5.244 11.539 ( 7.486 4.329 -1.649) 8.804 12.186 ( -5.091 7.790 1.200) 9.384 12.316 ( -1.387 2.655 -0.147) 2.999 13.071 ( 4.567 -32.065 -2.417) 32.479 14.234 ( -2.992 -1.560 1.916) 3.880 15.091 ( 15.725 8.402 3.830) 18.236 15.921 ( 1.200 5.671 2.509) 6.316 18.009 ( -6.684 2.992 -2.334) 7.686 18.961 ( -8.682 3.693 2.525) 9.767 19.312 ( 12.891 3.564 -5.983) 14.652 20.576 ( -14.605 22.260 -4.212) 26.955 ======================= Grid point 568 (264/324) ======================= q-point: (-0.07 -0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.011 ( -8.998 -9.088 13.410) 18.531 1.126 ( -9.219 -9.908 9.201) 16.365 1.608 ( -0.109 -2.842 -4.032) 4.934 1.837 ( -5.982 -6.436 -4.921) 10.071 1.964 ( -14.854 -5.355 7.394) 17.435 2.179 ( -1.778 -3.361 0.299) 3.814 2.370 ( 6.430 -4.542 -7.413) 10.813 2.665 ( -13.984 -26.993 4.875) 30.789 3.116 ( 7.535 -5.101 5.981) 10.889 3.218 ( 4.087 -14.829 -3.767) 15.836 3.397 ( 4.596 1.279 -1.024) 4.879 3.521 ( 3.965 -15.462 7.324) 17.563 3.781 ( -4.646 -8.069 2.827) 9.731 4.462 ( 0.784 -6.800 -18.461) 19.689 4.620 ( -2.742 -5.984 -13.227) 14.774 5.187 ( 2.843 -2.391 6.183) 7.213 5.264 ( 8.925 4.085 6.994) 12.052 5.805 ( -2.290 5.335 4.310) 7.230 6.554 ( -3.019 -10.889 -0.970) 11.342 7.184 ( 1.745 -7.619 1.786) 8.018 7.731 ( -7.868 -3.618 -0.578) 8.679 7.829 ( -1.852 7.356 -4.557) 8.849 8.113 ( 0.718 -2.921 3.096) 4.317 8.528 ( 3.743 7.714 -2.817) 9.025 8.864 ( -1.460 -3.636 1.854) 4.334 9.071 ( -3.534 3.811 -4.284) 6.735 9.326 ( -3.647 4.462 -4.302) 7.192 9.410 ( 10.408 2.035 0.140) 10.606 9.890 ( -4.368 3.891 17.280) 18.244 10.497 ( 5.307 -3.874 -9.260) 11.355 11.144 ( 5.304 4.968 3.534) 8.081 11.551 ( 13.739 -2.365 -3.402) 14.350 12.084 ( -1.256 2.799 -0.154) 3.072 12.234 ( -3.699 4.329 0.623) 5.728 13.675 ( 9.149 -26.299 -4.213) 28.162 14.269 ( 0.641 -2.036 1.285) 2.491 14.933 ( 6.366 13.708 -1.257) 15.166 15.791 ( 1.572 9.257 2.128) 9.628 17.898 ( -6.416 3.680 -2.404) 7.777 18.853 ( -4.758 4.233 2.782) 6.949 19.283 ( 11.628 4.325 -3.343) 12.848 20.072 ( -25.589 16.854 3.041) 30.792 ======================= Grid point 581 (265/324) ======================= q-point: (-0.14 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.796 ( -19.904 -0.000 14.248) 24.478 0.834 ( -12.578 -0.000 20.931) 24.420 1.514 ( -0.481 -0.000 -6.375) 6.393 1.616 ( -28.861 -0.000 21.211) 35.817 1.829 ( -16.937 -0.000 -8.443) 18.925 2.079 ( 0.856 0.000 -1.054) 1.358 2.171 ( -1.793 -0.000 7.641) 7.848 2.304 ( 6.802 0.000 -6.670) 9.526 2.792 ( 1.308 0.000 -6.987) 7.108 3.102 ( 9.971 0.000 1.992) 10.168 3.118 ( 13.064 0.000 9.691) 16.266 3.467 ( -3.723 -0.000 2.491) 4.480 3.541 ( -4.361 -0.000 4.035) 5.941 4.315 ( -3.504 -0.000 -25.416) 25.656 4.660 ( 0.322 0.000 -18.835) 18.837 5.178 ( 10.655 0.000 5.483) 11.983 5.386 ( 6.656 0.000 6.125) 9.046 5.943 ( -2.141 -0.000 6.904) 7.229 6.240 ( -2.162 -0.000 0.011) 2.162 7.004 ( 2.593 0.000 0.364) 2.618 7.651 ( -7.189 -0.000 -0.479) 7.205 7.973 ( -12.045 -0.000 -9.024) 15.051 8.069 ( -3.133 -0.000 -1.278) 3.384 8.615 ( -0.699 -0.000 2.261) 2.366 8.773 ( -5.818 -0.000 -19.826) 20.662 9.139 ( 4.083 0.000 2.872) 4.992 9.431 ( 5.759 0.000 -0.872) 5.825 9.767 ( -4.851 -0.000 -0.407) 4.869 9.807 ( -14.851 -0.000 11.068) 18.522 9.993 ( 22.930 0.000 26.618) 35.132 11.229 ( 3.483 0.000 -0.638) 3.541 11.613 ( 5.296 0.000 -3.793) 6.514 12.330 ( 0.639 0.000 -1.096) 1.269 12.352 ( -7.283 -0.000 6.345) 9.659 12.630 ( 0.320 0.000 1.070) 1.117 14.196 ( -4.677 -0.000 0.451) 4.699 15.310 ( 23.183 0.000 6.069) 23.964 15.989 ( 0.420 0.000 2.671) 2.703 18.000 ( -5.216 -0.000 -3.503) 6.283 18.956 ( -8.593 -0.000 2.270) 8.887 19.396 ( 13.241 0.000 -6.590) 14.790 20.730 ( -17.002 -0.000 -20.815) 26.876 ======================= Grid point 582 (266/324) ======================= q-point: (-0.07 -0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.849 ( -12.153 -8.418 16.400) 22.080 0.924 ( -9.891 -8.583 17.496) 21.854 1.523 ( -0.896 -3.648 -6.035) 7.109 1.657 ( -14.099 -7.975 8.638) 18.357 1.776 ( -16.866 -5.825 0.659) 17.856 2.126 ( -1.202 -3.078 -0.354) 3.323 2.231 ( -1.988 -8.015 0.521) 8.275 2.358 ( 7.045 -3.520 1.527) 8.022 2.898 ( 0.713 -12.145 -5.632) 13.406 3.169 ( 9.556 -1.412 5.310) 11.023 3.313 ( 9.758 -10.309 5.595) 15.258 3.440 ( -3.076 1.328 2.296) 4.061 3.610 ( -4.223 -7.472 4.090) 9.508 4.252 ( -4.875 -4.948 -26.165) 27.071 4.558 ( -1.272 2.655 -16.006) 16.274 5.219 ( 5.197 1.146 6.540) 8.431 5.409 ( 8.657 3.421 7.053) 11.678 5.895 ( -4.076 4.246 4.816) 7.605 6.342 ( -1.943 -9.394 -1.092) 9.655 7.071 ( 1.939 -5.255 0.816) 5.660 7.633 ( -7.429 -2.185 -1.206) 7.837 7.840 ( -6.971 0.562 -5.508) 8.902 8.142 ( 1.980 -0.409 1.162) 2.332 8.599 ( -3.743 -1.809 -0.903) 4.255 8.729 ( -4.186 -3.643 -13.641) 14.727 9.122 ( -1.368 3.871 -2.403) 4.757 9.423 ( 0.225 6.073 0.267) 6.083 9.520 ( 4.392 5.984 5.775) 9.404 9.944 ( -6.930 -2.746 16.686) 18.276 10.371 ( 22.170 -11.876 0.793) 25.163 11.237 ( 5.267 1.342 0.842) 5.500 11.590 ( 5.398 1.943 -3.172) 6.556 12.158 ( -2.675 7.488 3.318) 8.616 12.301 ( -1.165 3.422 -0.171) 3.618 13.112 ( 6.354 -34.324 -2.726) 35.013 14.205 ( -2.934 -3.087 -0.014) 4.258 15.296 ( 17.294 15.054 4.082) 23.289 15.944 ( 0.089 5.408 2.448) 5.937 17.928 ( -5.222 3.270 -3.595) 7.134 18.897 ( -6.270 2.541 2.387) 7.174 19.414 ( 13.524 3.271 -4.411) 14.596 20.286 ( -33.462 20.400 -7.375) 39.878 ======================= Grid point 596 (267/324) ======================= q-point: (-0.07 -0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 322 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.722 ( -12.970 -0.000 16.892) 21.297 0.839 ( -12.604 -0.000 20.641) 24.185 1.472 ( 0.979 0.000 -7.569) 7.632 1.515 ( -19.600 -0.000 28.896) 34.916 1.646 ( -6.893 -0.000 -10.901) 12.898 2.078 ( 0.185 0.000 -0.744) 0.767 2.179 ( -0.192 -0.000 -1.188) 1.204 2.387 ( 9.488 0.000 5.735) 11.087 2.755 ( -0.181 -0.000 -6.394) 6.397 3.201 ( 7.059 0.000 0.811) 7.106 3.294 ( 6.589 0.000 10.892) 12.730 3.442 ( -2.086 -0.000 1.366) 2.494 3.525 ( -3.491 -0.000 4.528) 5.718 4.088 ( -5.850 -0.000 -29.067) 29.650 4.531 ( -2.101 -0.000 -18.589) 18.707 5.283 ( 3.373 0.000 4.348) 5.503 5.512 ( 9.158 0.000 6.939) 11.490 5.936 ( -6.237 -0.000 4.790) 7.864 6.223 ( -1.121 -0.000 -0.001) 1.121 7.029 ( 1.638 0.000 0.462) 1.702 7.569 ( -6.960 -0.000 -1.873) 7.208 7.801 ( -9.841 -0.000 -5.910) 11.480 8.036 ( -1.750 -0.000 -1.032) 2.032 8.574 ( -10.884 -0.000 -11.942) 16.158 8.621 ( -0.602 -0.000 1.863) 1.957 9.163 ( 1.225 0.000 -2.549) 2.828 9.481 ( 4.462 0.000 -0.689) 4.515 9.717 ( -3.972 -0.000 -0.512) 4.005 9.806 ( -6.775 -0.000 22.844) 23.827 10.442 ( 35.336 0.000 8.252) 36.286 11.274 ( 5.914 0.000 0.487) 5.934 11.621 ( 2.042 0.000 -5.231) 5.616 12.328 ( 0.288 0.000 -1.099) 1.136 12.366 ( 0.528 0.000 9.542) 9.556 12.640 ( 0.260 0.000 1.080) 1.111 14.158 ( -1.695 -0.000 -0.704) 1.836 15.578 ( 20.350 0.000 2.946) 20.562 16.001 ( -1.213 -0.000 2.515) 2.792 17.925 ( -4.257 -0.000 -4.747) 6.376 18.899 ( -4.921 -0.000 2.172) 5.380 19.504 ( 14.165 0.000 -3.362) 14.558 20.271 ( -43.990 -0.000 -17.197) 47.232 ======================= Grid point 597 (268/324) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.951 ( 0.000 0.000 0.000) 0.000 1.220 ( 0.000 0.000 -0.000) 0.000 1.225 ( -0.000 -0.000 0.000) 0.000 1.315 ( 0.000 0.000 -0.000) 0.000 1.989 ( 0.000 0.000 -0.000) 0.000 1.995 ( -0.000 -0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.663 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 -0.000) 0.000 3.574 ( -0.000 -0.000 0.000) 0.000 3.645 ( -0.000 -0.000 0.000) 0.000 4.211 ( -0.000 -0.000 -0.000) 0.000 5.357 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.940 ( -0.000 -0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 7.046 ( 0.000 0.000 0.000) 0.000 7.481 ( 0.000 0.000 -0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.400 ( 0.000 0.000 0.000) 0.000 8.644 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.684 ( 0.000 0.000 0.000) 0.000 10.235 ( 0.000 0.000 0.000) 0.000 10.540 ( -0.000 -0.000 0.000) 0.000 11.314 ( 0.000 0.000 0.000) 0.000 11.537 ( 0.000 0.000 0.000) 0.000 12.313 ( 0.000 0.000 0.000) 0.000 12.536 ( 0.000 0.000 0.000) 0.000 12.657 ( 0.000 0.000 0.000) 0.000 14.143 ( -0.000 -0.000 0.000) 0.000 15.702 ( -0.000 -0.000 0.000) 0.000 16.030 ( 0.000 0.000 0.000) 0.000 17.823 ( -0.000 -0.000 0.000) 0.000 18.904 ( -0.000 -0.000 0.000) 0.000 19.643 ( 0.000 0.000 0.000) 0.000 19.750 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 599 (269/324) ======================= q-point: ( 0.07 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.107 ( 3.481 -11.499 -5.382) 13.164 1.253 ( 3.313 -4.461 -6.496) 8.548 1.323 ( 2.007 -4.002 4.046) 6.035 1.352 ( -0.119 -7.248 6.819) 9.952 1.987 ( 4.612 -0.569 -5.592) 7.271 2.024 ( -1.160 -2.060 5.064) 5.588 2.160 ( 0.574 -9.278 -0.038) 9.296 2.598 ( 0.712 2.955 -2.746) 4.096 3.012 ( -2.204 -17.784 -11.841) 21.479 3.308 ( -1.879 -5.848 -3.248) 6.948 3.361 ( -1.465 -6.571 12.192) 13.927 3.455 ( -2.445 -0.276 5.839) 6.336 3.628 ( 4.524 -1.683 -3.825) 6.159 3.728 ( 2.471 -10.567 0.510) 10.864 4.233 ( -0.263 -2.121 4.557) 5.034 5.343 ( -1.044 0.846 -0.666) 1.500 5.634 ( -7.787 1.920 -2.071) 8.283 5.886 ( 4.276 5.726 0.979) 7.213 6.316 ( 0.663 -8.699 0.114) 8.725 7.100 ( -0.655 -5.534 -0.191) 5.576 7.508 ( 3.490 -0.961 1.737) 4.015 7.706 ( 1.245 -1.512 0.659) 2.067 8.225 ( -7.654 -11.465 -1.902) 13.916 8.346 ( 8.717 -3.885 4.804) 10.685 8.670 ( -1.005 -0.784 -0.437) 1.348 9.016 ( 4.177 9.576 0.136) 10.448 9.443 ( -1.245 4.809 0.152) 4.970 9.692 ( -1.726 0.349 -1.707) 2.453 10.236 ( -0.287 -0.725 -2.099) 2.239 10.477 ( -0.642 5.726 -2.859) 6.432 11.302 ( -2.176 0.694 -0.587) 2.358 11.556 ( -1.385 -2.077 0.687) 2.589 12.237 ( 0.085 11.750 -1.363) 11.829 12.290 ( 1.140 2.831 -0.214) 3.059 13.140 ( -1.023 -30.662 -0.889) 30.692 14.187 ( 2.994 -3.797 -1.045) 4.947 15.468 ( -9.116 20.247 0.730) 22.217 15.983 ( 0.160 5.105 -0.362) 5.120 17.810 ( 1.893 1.942 1.147) 2.945 18.892 ( 2.271 1.779 -0.414) 2.914 19.515 ( -22.749 3.231 2.116) 23.074 19.811 ( 26.170 5.396 3.048) 26.894 ======================= Grid point 600 (270/324) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.252 ( 6.354 -4.390 -6.844) 10.319 1.326 ( 2.169 -3.605 -8.736) 9.696 1.457 ( 0.550 -7.199 7.025) 10.074 1.594 ( 0.874 -13.076 5.479) 14.205 2.025 ( 3.217 -1.797 0.937) 3.802 2.092 ( 0.796 -4.425 0.863) 4.578 2.383 ( -1.329 -11.353 -2.601) 11.723 2.617 ( 8.989 -5.473 -0.370) 10.530 3.316 ( -4.258 -15.770 -6.497) 17.580 3.380 ( -9.500 -3.779 0.190) 10.226 3.422 ( -0.982 -5.478 -7.395) 9.255 3.664 ( 5.935 -9.709 -3.592) 11.932 3.712 ( 3.112 -12.435 10.953) 16.860 4.008 ( 1.815 -15.152 5.306) 16.156 4.352 ( -0.173 -10.019 5.365) 11.366 5.312 ( -1.072 1.975 -1.127) 2.514 5.532 ( -12.303 1.345 -4.127) 13.046 5.800 ( 5.811 6.457 1.472) 8.811 6.513 ( 1.300 -11.076 0.548) 11.165 7.228 ( -1.051 -8.057 -0.396) 8.135 7.529 ( 5.422 3.177 4.662) 7.824 7.761 ( 2.071 -3.297 -0.569) 3.935 8.191 ( -5.398 -0.955 0.259) 5.488 8.594 ( -4.427 6.027 -3.040) 8.072 8.768 ( 2.029 -21.007 4.279) 21.534 8.862 ( 11.102 9.940 2.771) 15.158 9.321 ( -1.612 6.863 -0.849) 7.100 9.607 ( -8.555 4.483 -4.583) 10.691 10.225 ( 6.808 4.143 -4.874) 9.342 10.327 ( -1.241 7.950 1.065) 8.117 11.257 ( -4.372 2.235 -0.836) 4.981 11.599 ( -5.961 -4.245 0.437) 7.331 12.108 ( -0.449 2.778 -0.940) 2.967 12.229 ( 4.033 4.571 -1.696) 6.327 13.673 ( -4.299 -25.916 0.587) 26.277 14.292 ( 4.067 -5.016 -2.453) 6.908 14.970 ( -8.495 24.819 2.318) 26.335 15.842 ( -1.259 9.156 -0.381) 9.250 17.784 ( 3.412 2.420 1.411) 4.415 18.863 ( 3.383 2.567 -1.098) 4.387 19.345 ( -18.922 4.031 3.718) 19.700 19.810 ( 23.246 8.643 1.582) 24.852 ======================= Grid point 601 (271/324) ======================= q-point: ( 0.21 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.329 ( 5.463 -2.602 -5.692) 8.308 1.387 ( 4.105 -4.057 -6.147) 8.432 1.576 ( 0.646 -3.529 2.816) 4.561 1.843 ( 0.353 -10.151 4.805) 11.236 2.081 ( 0.937 -2.014 4.352) 4.886 2.223 ( 1.244 -9.497 -0.301) 9.583 2.509 ( -1.293 -6.949 -5.291) 8.830 2.875 ( 13.200 -10.470 6.849) 18.187 3.339 ( -7.786 0.646 3.609) 8.606 3.397 ( -5.260 -1.446 -6.137) 8.212 3.643 ( 1.738 -10.249 -4.500) 11.327 3.857 ( 4.474 -14.067 -2.846) 15.033 4.086 ( -1.340 -19.993 -8.623) 21.815 4.349 ( -0.918 -18.824 13.075) 22.937 4.653 ( 2.294 -18.697 4.177) 19.294 5.219 ( -2.244 6.814 -0.833) 7.223 5.465 ( -8.734 -0.743 -2.796) 9.201 5.732 ( 2.893 1.866 -0.438) 3.470 6.737 ( 1.726 -11.393 0.958) 11.562 7.366 ( -1.069 -6.620 -0.714) 6.744 7.476 ( 4.539 5.906 6.711) 10.026 7.850 ( 4.187 -5.058 -3.226) 7.316 8.198 ( -13.279 1.062 1.765) 13.438 8.446 ( 2.736 1.410 -4.946) 5.826 8.761 ( 11.227 8.310 5.028) 14.845 9.115 ( -2.621 -12.909 5.282) 14.192 9.173 ( -2.396 6.397 -4.008) 7.920 9.431 ( -10.979 6.734 -3.824) 13.435 10.067 ( 7.966 12.125 -12.503) 19.152 10.226 ( 3.968 6.502 9.361) 12.068 11.159 ( -5.429 5.051 -1.921) 7.660 11.648 ( -12.869 -5.294 1.632) 14.011 12.054 ( 1.827 4.392 -3.338) 5.811 12.175 ( 4.089 1.838 -1.471) 4.718 14.048 ( -7.407 -16.264 4.054) 18.325 14.283 ( -2.126 9.792 -3.254) 10.535 14.639 ( 2.508 4.551 2.884) 5.943 15.636 ( -2.353 11.216 -0.400) 11.468 17.773 ( 4.457 1.206 1.270) 4.789 18.822 ( 1.966 2.850 -1.694) 3.855 19.199 ( -13.640 3.507 3.584) 14.533 19.754 ( 18.820 8.715 0.115) 20.740 ======================= Grid point 602 (272/324) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.375 ( 2.925 -1.680 -3.471) 4.840 1.475 ( 5.593 -3.950 -4.447) 8.165 1.628 ( 0.792 -1.290 0.899) 1.760 1.991 ( 1.980 -4.147 2.243) 5.113 2.139 ( -0.698 -2.556 5.051) 5.703 2.454 ( -0.883 -13.655 1.986) 13.827 2.649 ( 2.323 -9.152 -3.058) 9.925 3.126 ( 10.740 -6.797 7.817) 14.922 3.281 ( -3.476 2.609 0.162) 4.350 3.392 ( -5.845 -3.362 -3.595) 7.641 3.752 ( 2.849 -2.510 1.494) 4.080 4.060 ( -6.378 -6.301 -4.400) 9.987 4.466 ( 4.871 -22.869 -13.494) 26.996 4.696 ( -5.575 -11.857 3.248) 13.499 5.038 ( 4.834 -9.590 3.270) 11.226 5.089 ( -3.037 -4.252 4.025) 6.596 5.428 ( -0.229 -0.012 3.618) 3.625 5.800 ( -2.869 -9.135 -4.014) 10.383 6.956 ( 1.638 -10.391 0.470) 10.530 7.413 ( 0.860 2.377 5.934) 6.450 7.461 ( -0.442 -2.426 -0.748) 2.577 7.961 ( 1.349 -4.069 -4.665) 6.336 8.009 ( -6.486 7.404 0.529) 9.857 8.556 ( 4.194 -7.214 -2.601) 8.741 8.696 ( 7.828 4.783 6.565) 11.281 8.998 ( -7.858 8.570 1.629) 11.741 9.217 ( -4.253 6.131 -2.396) 7.837 9.328 ( -7.907 -7.516 -0.589) 10.925 9.818 ( 6.790 14.278 -8.265) 17.840 10.162 ( 8.746 5.883 4.736) 11.556 11.000 ( -5.135 8.000 -3.164) 10.019 11.637 ( -14.593 0.860 2.126) 14.773 11.946 ( 2.919 5.410 -5.376) 8.166 12.191 ( 0.557 -1.894 -0.214) 1.986 14.031 ( -3.307 10.827 3.576) 11.872 14.257 ( -4.896 -8.226 2.601) 9.920 14.693 ( 4.167 -3.815 -0.445) 5.668 15.407 ( -2.740 11.104 -0.561) 11.451 17.795 ( 4.931 -0.530 1.093) 5.079 18.763 ( -1.783 2.902 -1.654) 3.787 19.099 ( -7.350 2.399 2.631) 8.167 19.687 ( 14.475 7.372 -0.427) 16.250 ======================= Grid point 603 (273/324) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.402 ( 1.088 -0.914 -1.286) 1.917 1.556 ( 4.780 -2.964 -2.998) 6.373 1.647 ( 1.065 -0.262 -0.304) 1.138 2.054 ( 2.170 -1.347 0.818) 2.681 2.200 ( -1.256 -2.679 4.714) 5.566 2.708 ( -2.191 -12.472 2.979) 13.009 2.843 ( 4.237 -9.781 -0.103) 10.660 3.170 ( -2.211 3.548 1.165) 4.340 3.355 ( 7.592 -7.095 3.053) 10.831 3.436 ( -1.659 -3.662 -0.115) 4.022 3.812 ( 0.810 -2.816 1.571) 3.325 4.049 ( -7.391 0.488 -6.835) 10.079 4.599 ( -7.536 6.457 -6.108) 11.653 4.780 ( 3.962 2.737 -5.293) 7.156 5.120 ( 2.945 -13.240 0.537) 13.574 5.394 ( 1.070 -12.882 4.706) 13.757 5.600 ( 1.441 -13.915 6.774) 15.543 5.966 ( -3.738 -10.396 -4.425) 11.901 7.138 ( 0.815 -8.149 -1.514) 8.328 7.406 ( -5.389 -1.283 5.737) 7.975 7.484 ( 0.318 -0.351 -2.102) 2.154 7.824 ( -2.628 5.997 1.471) 6.710 8.069 ( 5.974 -2.579 -3.150) 7.229 8.611 ( 10.138 3.299 0.881) 10.697 8.764 ( -8.476 -0.774 -3.621) 9.250 8.793 ( -4.308 2.046 9.174) 10.340 9.087 ( -2.737 4.098 -0.503) 4.954 9.374 ( -5.347 1.226 -6.626) 8.602 9.599 ( 4.286 7.719 2.167) 9.091 10.137 ( 10.373 2.443 -0.689) 10.679 10.794 ( -4.489 9.820 -3.247) 11.275 11.480 ( -5.882 8.981 0.102) 10.736 11.872 ( -5.930 0.693 -2.908) 6.641 12.238 ( 0.379 -2.657 -0.103) 2.685 13.884 ( -0.108 5.298 2.884) 6.033 14.352 ( -3.865 -3.612 3.860) 6.549 14.776 ( 2.210 -3.235 -1.301) 4.128 15.198 ( -2.293 9.219 -0.740) 9.529 17.845 ( 4.623 -1.573 0.871) 4.961 18.689 ( -4.418 2.502 -1.080) 5.190 19.045 ( -2.581 1.450 1.470) 3.306 19.628 ( 10.011 5.360 -0.484) 11.366 ======================= Grid point 604 (274/324) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.414 ( 0.191 -0.289 -0.229) 0.415 1.613 ( 2.225 -1.727 -1.204) 3.063 1.651 ( 1.301 0.138 -0.885) 1.580 2.080 ( 1.249 -0.439 0.325) 1.363 2.249 ( -0.879 -1.690 2.997) 3.551 2.872 ( -3.086 -5.011 0.780) 5.936 3.043 ( 4.169 -6.027 2.090) 7.621 3.133 ( 0.332 -2.631 1.530) 3.062 3.447 ( 0.498 0.481 1.571) 1.717 3.579 ( 3.882 -10.212 1.154) 10.986 3.866 ( -4.438 -2.028 1.540) 5.117 3.957 ( 0.760 4.366 -7.326) 8.562 4.394 ( -8.573 5.473 -5.348) 11.491 4.617 ( 3.081 11.675 1.256) 12.140 5.421 ( 4.641 -13.077 -3.622) 14.341 5.589 ( -1.123 -5.966 3.913) 7.222 5.863 ( 0.556 -9.688 4.387) 10.649 6.096 ( -2.346 -5.921 -3.207) 7.130 7.262 ( -1.394 -6.384 -2.653) 7.052 7.448 ( -2.948 -1.517 3.560) 4.865 7.458 ( -4.247 -0.339 -0.584) 4.300 7.741 ( 6.494 5.169 1.135) 8.377 8.121 ( 2.023 -2.507 -1.210) 3.441 8.497 ( -3.536 9.864 1.029) 10.529 8.719 ( 7.616 -2.786 1.918) 8.333 8.895 ( -9.428 -5.695 1.293) 11.090 9.027 ( 0.042 2.050 1.177) 2.365 9.198 ( 0.459 9.527 -6.699) 11.655 9.590 ( -1.029 -1.192 4.675) 4.933 10.176 ( 8.990 -1.762 -2.985) 9.636 10.579 ( -4.205 9.115 -1.587) 10.163 11.299 ( -1.641 6.947 -0.170) 7.141 11.828 ( -5.698 -0.030 -1.529) 5.900 12.283 ( 0.176 -1.767 0.029) 1.776 13.828 ( 0.488 1.961 1.598) 2.577 14.393 ( -1.874 -1.493 2.680) 3.595 14.828 ( 0.596 -1.966 -1.039) 2.302 15.043 ( -1.130 5.747 -0.574) 5.885 17.897 ( 3.037 -1.345 0.509) 3.360 18.626 ( -3.593 1.522 -0.496) 3.934 19.021 ( -0.545 0.707 0.604) 1.078 19.588 ( 5.167 2.843 -0.309) 5.906 ======================= Grid point 605 (275/324) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.416 ( -0.000 0.000 0.000) 0.000 1.634 ( -0.000 0.000 0.000) 0.000 1.651 ( -0.000 0.000 -0.000) 0.000 2.088 ( -0.000 0.000 0.000) 0.000 2.269 ( -0.000 0.000 0.000) 0.000 2.900 ( -0.000 0.000 0.000) 0.000 3.083 ( -0.000 0.000 0.000) 0.000 3.234 ( -0.000 0.000 0.000) 0.000 3.424 ( -0.000 0.000 0.000) 0.000 3.768 ( 0.000 0.000 0.000) 0.000 3.843 ( -0.000 -0.000 0.000) 0.000 3.855 ( 0.000 0.000 -0.000) 0.000 4.336 ( -0.000 0.000 0.000) 0.000 4.482 ( -0.000 -0.000 -0.000) 0.000 5.571 ( -0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.966 ( -0.000 0.000 0.000) 0.000 6.140 ( -0.000 0.000 -0.000) 0.000 7.355 ( -0.000 0.000 0.000) 0.000 7.379 ( -0.000 -0.000 0.000) 0.000 7.501 ( -0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 8.174 ( -0.000 0.000 0.000) 0.000 8.361 ( -0.000 0.000 -0.000) 0.000 8.852 ( 0.000 -0.000 0.000) 0.000 8.855 ( -0.000 0.000 -0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.092 ( -0.000 0.000 -0.000) 0.000 9.609 ( -0.000 0.000 0.000) 0.000 10.237 ( 0.000 0.000 -0.000) 0.000 10.453 ( 0.000 0.000 0.000) 0.000 11.226 ( -0.000 0.000 0.000) 0.000 11.810 ( -0.000 0.000 0.000) 0.000 12.301 ( -0.000 0.000 0.000) 0.000 13.815 ( -0.000 0.000 0.000) 0.000 14.407 ( -0.000 0.000 0.000) 0.000 14.848 ( -0.000 0.000 0.000) 0.000 14.981 ( -0.000 0.000 0.000) 0.000 17.920 ( -0.000 0.000 0.000) 0.000 18.600 ( -0.000 0.000 0.000) 0.000 19.014 ( -0.000 0.000 0.000) 0.000 19.574 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 614 (276/324) ======================= q-point: ( 0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 0.979 ( 9.021 0.000 -6.261) 10.981 1.201 ( 9.987 0.000 -16.817) 19.559 1.312 ( 1.848 0.000 17.908) 18.003 1.332 ( 0.869 0.000 3.711) 3.812 1.983 ( 10.465 0.000 -14.327) 17.742 2.035 ( -2.031 -0.000 11.553) 11.730 2.066 ( -0.701 -0.000 0.455) 0.835 2.666 ( -1.127 -0.000 2.585) 2.820 2.728 ( -0.495 -0.000 -24.045) 24.050 3.214 ( -5.585 -0.000 -0.525) 5.609 3.331 ( -7.535 -0.000 7.664) 10.748 3.477 ( 2.075 0.000 11.865) 12.045 3.585 ( 2.725 0.000 -1.361) 3.046 3.678 ( 8.275 0.000 -2.505) 8.646 4.243 ( -0.298 -0.000 9.856) 9.861 5.339 ( -2.772 -0.000 -1.256) 3.043 5.598 ( -11.658 -0.000 -2.348) 11.892 5.979 ( 4.913 0.000 0.671) 4.959 6.223 ( 1.214 0.000 -0.051) 1.215 7.038 ( -1.364 -0.000 -0.369) 1.413 7.531 ( 7.622 0.000 2.352) 7.977 7.713 ( 3.204 0.000 2.536) 4.086 8.021 ( 1.365 0.000 0.460) 1.441 8.423 ( 1.050 0.000 5.316) 5.418 8.647 ( 1.019 0.000 -0.663) 1.216 9.139 ( 5.659 0.000 -0.989) 5.744 9.470 ( -4.945 -0.000 0.370) 4.959 9.709 ( 4.131 0.000 0.171) 4.135 10.178 ( -6.033 -0.000 -7.113) 9.327 10.509 ( -1.239 -0.000 -8.128) 8.222 11.290 ( -3.444 -0.000 -1.380) 3.710 11.538 ( -1.330 -0.000 2.286) 2.645 12.312 ( -0.364 -0.000 0.406) 0.546 12.525 ( 2.006 0.000 -6.255) 6.569 12.655 ( -0.155 -0.000 -0.420) 0.448 14.168 ( 5.896 0.000 -2.021) 6.232 15.591 ( -20.401 -0.000 1.233) 20.438 16.035 ( 0.734 0.000 -0.852) 1.124 17.851 ( 3.673 0.000 2.547) 4.469 18.927 ( 4.630 0.000 -0.611) 4.670 19.435 ( -22.463 -0.000 4.092) 22.833 20.038 ( 28.821 0.000 8.984) 30.189 ======================= Grid point 615 (277/324) ======================= q-point: ( 0.14 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.124 ( 10.206 -9.396 -10.737) 17.542 1.241 ( 6.353 -3.325 -12.975) 14.825 1.382 ( 1.893 -3.574 6.853) 7.958 1.449 ( 5.989 -6.465 13.407) 16.044 2.014 ( 8.566 -1.509 -7.856) 11.720 2.055 ( -1.272 -0.948 8.104) 8.258 2.173 ( 2.212 -9.448 -0.360) 9.710 2.582 ( 4.757 -0.025 -10.207) 11.261 2.905 ( -1.768 -17.448 -11.593) 21.023 3.240 ( -7.444 -5.065 -2.962) 9.478 3.320 ( -13.270 -3.560 5.067) 14.644 3.539 ( 5.874 -2.668 3.468) 7.325 3.662 ( 6.056 -3.851 -3.690) 8.070 3.805 ( 6.069 -9.325 11.925) 16.310 4.281 ( -0.509 -1.183 11.564) 11.636 5.310 ( -3.947 0.295 -2.644) 4.760 5.498 ( -13.480 2.586 -2.706) 13.990 5.941 ( 4.343 5.233 0.194) 6.803 6.331 ( 1.797 -8.828 0.356) 9.016 7.085 ( -1.787 -5.644 -0.533) 5.944 7.595 ( 9.320 -0.901 3.713) 10.073 7.741 ( 3.684 -0.368 2.668) 4.563 8.149 ( -5.390 -4.666 -0.107) 7.129 8.477 ( 7.594 -8.982 8.734) 14.650 8.649 ( -1.526 1.431 -1.270) 2.448 9.089 ( 8.407 7.282 -0.001) 11.122 9.421 ( -3.139 3.552 0.368) 4.755 9.636 ( -4.733 6.344 -4.973) 9.348 10.211 ( -0.911 -6.084 -3.196) 6.933 10.426 ( -0.520 4.391 -11.313) 12.146 11.256 ( -5.034 0.970 -1.292) 5.287 11.537 ( -3.731 -0.239 1.686) 4.101 12.230 ( 1.502 10.589 -3.017) 11.113 12.305 ( 2.077 2.974 -0.753) 3.705 13.111 ( -2.240 -29.753 -2.154) 29.914 14.230 ( 7.277 -3.333 -2.951) 8.530 15.312 ( -21.063 16.373 2.140) 26.764 15.977 ( -0.822 5.701 -0.812) 5.817 17.861 ( 5.118 2.222 2.885) 6.282 18.931 ( 6.042 2.217 -1.052) 6.521 19.319 ( -19.238 2.198 5.508) 20.131 20.124 ( 25.192 8.684 8.499) 27.969 ======================= Grid point 616 (278/324) ======================= q-point: ( 0.21 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.280 ( 9.906 -4.785 -12.567) 16.702 1.304 ( 5.601 -4.379 -8.673) 11.214 1.508 ( 0.806 -5.422 6.564) 8.551 1.671 ( 4.975 -9.715 9.439) 14.430 2.073 ( 3.886 -1.814 2.085) 4.768 2.110 ( 1.105 -3.821 1.627) 4.297 2.349 ( -0.833 -7.630 -4.367) 8.830 2.739 ( 15.144 -12.611 -1.018) 19.734 3.229 ( -5.846 -14.846 -4.272) 16.518 3.262 ( -7.829 -9.150 -6.690) 13.775 3.357 ( -6.674 -3.743 -0.882) 7.702 3.684 ( 5.182 -10.900 -9.131) 15.134 3.796 ( 4.092 -7.910 3.695) 9.642 4.100 ( 2.578 -13.160 15.528) 20.517 4.398 ( 0.244 -9.543 9.373) 13.378 5.285 ( -2.058 0.133 -2.749) 3.437 5.361 ( -15.099 1.856 -3.945) 15.716 5.851 ( 3.133 6.297 -0.213) 7.036 6.537 ( 2.240 -11.178 1.007) 11.445 7.210 ( -1.708 -8.196 -0.769) 8.408 7.648 ( 9.246 4.232 8.179) 13.050 7.785 ( 3.834 -2.798 -1.665) 5.030 8.127 ( -7.060 -0.552 1.125) 7.170 8.542 ( -1.683 7.070 -3.527) 8.079 8.817 ( 0.931 -15.249 6.460) 16.587 9.004 ( 11.018 6.343 2.535) 12.964 9.292 ( -1.944 7.958 -1.611) 8.349 9.467 ( -11.370 4.900 -4.916) 13.321 10.245 ( 9.230 6.178 -16.665) 20.027 10.331 ( -2.828 0.347 7.412) 7.941 11.189 ( -6.906 2.492 -1.367) 7.468 11.521 ( -8.814 -1.559 -0.011) 8.951 12.106 ( 1.848 3.441 -1.768) 4.288 12.259 ( 3.628 3.601 -1.951) 5.472 13.620 ( -6.533 -25.488 1.037) 26.332 14.317 ( 4.140 -2.223 -4.386) 6.428 14.883 ( -11.157 17.802 4.514) 21.489 15.819 ( -2.424 9.538 -0.608) 9.860 17.847 ( 6.306 2.885 2.396) 7.337 18.897 ( 4.377 3.907 -1.608) 6.083 19.199 ( -14.315 2.721 5.068) 15.427 20.058 ( 20.421 11.831 3.657) 23.883 ======================= Grid point 617 (279/324) ======================= q-point: ( 0.29 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.352 ( 7.810 -2.147 -8.616) 11.826 1.403 ( 6.346 -4.808 -5.954) 9.942 1.603 ( 0.859 -2.629 2.880) 3.993 1.898 ( 3.407 -8.209 6.490) 11.005 2.122 ( 0.247 -1.161 6.260) 6.371 2.245 ( 3.450 -9.154 -0.288) 9.786 2.472 ( 0.765 -8.514 -5.686) 10.267 3.066 ( 13.920 -10.234 8.201) 19.124 3.259 ( -9.053 -4.227 -1.317) 10.078 3.306 ( -7.402 1.433 -1.320) 7.654 3.608 ( -0.267 -16.047 -8.101) 17.978 3.908 ( 5.294 -6.171 0.620) 8.154 4.015 ( 1.389 -19.905 -11.905) 23.235 4.410 ( -3.086 -15.383 11.609) 19.517 4.718 ( 2.879 -18.988 7.633) 20.666 5.175 ( -5.849 6.440 -0.723) 8.730 5.356 ( -7.247 -6.712 -3.748) 10.565 5.749 ( 1.142 4.623 -1.127) 4.894 6.765 ( 2.317 -11.139 1.091) 11.429 7.347 ( -1.322 -6.993 -1.129) 7.206 7.573 ( 3.990 8.581 7.680) 12.188 7.886 ( 7.647 -4.895 -4.072) 9.951 8.075 ( -11.994 3.640 2.119) 12.712 8.455 ( 3.015 -1.346 -2.423) 4.095 8.896 ( 8.765 6.522 4.000) 11.635 9.088 ( -3.163 -2.256 -9.870) 10.607 9.144 ( -3.742 0.156 11.090) 11.705 9.297 ( -10.103 5.880 -2.381) 11.930 10.062 ( 8.043 11.123 -15.504) 20.707 10.328 ( 4.094 4.228 8.711) 10.513 11.077 ( -7.299 4.911 -2.904) 9.264 11.512 ( -13.996 -3.670 0.342) 14.473 12.058 ( 2.981 3.868 -3.594) 6.063 12.199 ( 2.082 2.890 -1.200) 3.758 13.987 ( -9.865 -16.698 5.449) 20.145 14.231 ( -3.580 9.397 -3.439) 10.628 14.693 ( 4.061 1.915 3.235) 5.534 15.602 ( -3.390 11.306 -0.548) 11.816 17.842 ( 6.969 1.807 1.850) 7.433 18.819 ( -1.223 4.567 -1.619) 4.998 19.112 ( -7.041 2.002 3.447) 8.091 19.942 ( 16.319 10.923 0.778) 19.653 ======================= Grid point 618 (280/324) ======================= q-point: ( 0.36 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.393 ( 5.404 -0.866 -4.519) 7.097 1.504 ( 5.318 -4.130 -4.089) 7.878 1.643 ( 0.838 -0.827 1.000) 1.545 2.033 ( 3.474 -3.125 1.739) 4.986 2.169 ( -0.376 -1.894 6.517) 6.797 2.475 ( 2.090 -12.541 3.087) 13.083 2.655 ( 2.807 -11.128 -3.707) 12.061 3.214 ( -5.991 2.718 -0.414) 6.591 3.304 ( 5.558 -5.015 6.958) 10.221 3.321 ( 0.121 -6.774 -0.110) 6.776 3.776 ( 1.125 -4.400 -1.324) 4.731 3.954 ( -8.135 -2.260 -3.914) 9.306 4.458 ( 8.071 -21.488 -11.162) 25.524 4.638 ( -5.429 -7.755 -1.927) 9.661 5.058 ( -5.086 0.326 2.584) 5.714 5.127 ( 3.537 -17.200 6.987) 18.899 5.448 ( -0.146 -5.729 3.259) 6.593 5.743 ( -3.096 -6.546 -3.977) 8.261 6.975 ( 1.908 -9.509 -0.387) 9.706 7.432 ( -2.255 -0.548 1.629) 2.835 7.457 ( -1.300 3.064 1.704) 3.739 7.901 ( -5.314 4.775 2.160) 7.463 8.039 ( 8.137 -4.137 -2.831) 9.557 8.562 ( -1.105 -7.602 -0.613) 7.706 8.811 ( 8.928 8.369 0.751) 12.260 8.933 ( -6.873 7.785 2.573) 10.698 9.144 ( -6.642 4.668 0.318) 8.124 9.261 ( -5.486 -6.274 1.373) 8.447 9.835 ( 6.907 12.088 -9.547) 16.881 10.277 ( 8.226 6.158 3.470) 10.846 10.909 ( -7.483 7.366 -4.895) 11.585 11.506 ( -12.148 -1.972 1.321) 12.378 11.927 ( -0.305 8.239 -4.655) 9.468 12.198 ( 1.001 -1.632 0.109) 1.917 14.016 ( -4.709 7.921 5.023) 10.495 14.215 ( -5.641 -9.285 1.505) 10.968 14.742 ( 5.199 -1.978 0.143) 5.564 15.370 ( -3.627 10.857 -0.705) 11.468 17.865 ( 6.904 0.260 1.437) 7.057 18.716 ( -5.431 3.686 -1.256) 6.683 19.066 ( -2.009 1.534 1.954) 3.195 19.827 ( 12.575 9.254 -0.167) 15.614 ======================= Grid point 619 (281/324) ======================= q-point: ( 0.43 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.414 ( 3.385 -0.193 -2.246) 4.067 1.580 ( 2.964 -2.617 -1.932) 4.401 1.656 ( 0.577 -0.053 -0.025) 0.580 2.082 ( 2.342 -0.621 0.265) 2.437 2.227 ( 0.748 -1.928 4.807) 5.234 2.720 ( 0.181 -10.242 3.751) 10.909 2.880 ( 2.950 -11.697 -0.501) 12.074 3.140 ( -3.452 1.470 -0.594) 3.798 3.426 ( -0.281 -6.958 0.074) 6.964 3.469 ( 8.346 -2.999 6.586) 11.046 3.817 ( -2.205 -0.662 1.468) 2.731 3.929 ( -6.505 -2.361 -7.526) 10.224 4.471 ( -8.717 7.748 -6.903) 13.553 4.792 ( 4.033 1.413 -4.820) 6.442 5.152 ( 3.498 -14.209 -0.621) 14.647 5.434 ( 0.796 -11.433 4.711) 12.391 5.657 ( 1.105 -13.020 6.785) 14.723 5.896 ( -4.028 -11.241 -4.548) 12.777 7.123 ( -0.814 -6.262 -3.631) 7.285 7.380 ( -5.332 -0.751 4.966) 7.325 7.469 ( -0.937 -0.189 -1.028) 1.404 7.835 ( 1.735 1.944 3.014) 3.984 8.128 ( 8.000 -0.499 -2.446) 8.380 8.640 ( -8.306 3.651 -2.881) 9.520 8.714 ( 4.383 -1.893 1.095) 4.898 8.792 ( -3.169 4.640 4.605) 7.265 9.061 ( -3.945 2.696 3.734) 6.064 9.297 ( -1.725 0.418 -5.150) 5.448 9.663 ( 4.702 6.918 2.542) 8.742 10.225 ( 8.973 3.532 -3.283) 10.186 10.701 ( -8.210 8.337 -5.639) 12.989 11.435 ( -3.058 6.146 1.214) 6.971 11.790 ( -6.435 1.735 -2.399) 7.084 12.245 ( 0.967 -2.374 0.132) 2.567 13.899 ( -0.726 4.603 3.242) 5.677 14.327 ( -5.058 -5.027 3.203) 7.817 14.798 ( 3.450 -1.642 -0.977) 3.944 15.165 ( -3.157 8.501 -0.841) 9.107 17.906 ( 5.845 -0.381 1.013) 5.944 18.627 ( -6.157 1.903 -0.830) 6.498 19.040 ( -0.231 1.246 1.033) 1.635 19.724 ( 8.742 7.408 -0.359) 11.464 ======================= Grid point 620 (282/324) ======================= q-point: ( 0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.423 ( 2.391 0.236 -1.175) 2.675 1.622 ( 0.761 -1.266 -0.371) 1.523 1.653 ( -0.809 0.298 0.049) 0.864 2.093 ( 0.873 0.228 0.216) 0.928 2.270 ( 1.968 -0.653 1.949) 2.846 2.850 ( -2.267 -4.032 0.818) 4.698 3.074 ( -0.299 -3.932 1.482) 4.213 3.168 ( 4.067 -6.024 1.806) 7.489 3.482 ( 4.598 3.192 1.550) 5.808 3.611 ( 0.586 -8.755 2.092) 9.021 3.811 ( -6.538 -2.013 1.540) 7.012 3.945 ( 2.965 0.275 -5.453) 6.213 4.256 ( -9.803 3.726 -7.487) 12.886 4.650 ( 1.369 10.346 1.282) 10.514 5.454 ( 6.021 -12.129 -3.602) 14.012 5.601 ( -1.291 -4.673 3.761) 6.136 5.891 ( 0.036 -8.215 3.345) 8.870 6.053 ( -2.308 -7.869 -2.230) 8.499 7.212 ( -4.304 -7.224 -3.122) 8.970 7.425 ( -1.531 -1.122 0.216) 1.911 7.450 ( -1.338 -0.496 3.407) 3.694 7.823 ( 8.255 4.498 0.499) 9.414 8.138 ( 2.259 -0.460 -1.140) 2.572 8.466 ( -3.190 8.479 0.641) 9.082 8.767 ( -10.552 -4.473 1.266) 11.530 8.821 ( 4.936 -4.080 0.660) 6.438 8.976 ( -7.699 4.257 -1.077) 8.864 9.240 ( 9.897 4.798 -1.168) 11.061 9.630 ( 0.976 1.382 7.714) 7.897 10.224 ( 5.809 -0.564 -6.469) 8.712 10.494 ( -8.209 6.409 -4.794) 11.466 11.293 ( -0.301 6.650 1.206) 6.765 11.778 ( -2.716 -2.563 -0.173) 3.738 12.288 ( 0.527 -1.479 0.186) 1.581 13.842 ( 0.173 2.439 1.749) 3.006 14.383 ( -2.829 -2.334 1.918) 4.139 14.834 ( 1.766 -1.154 -1.031) 2.348 15.023 ( -2.130 4.633 -0.492) 5.123 17.934 ( 3.303 0.461 0.463) 3.367 18.584 ( -3.859 -0.384 -0.341) 3.893 19.022 ( 0.011 0.796 0.461) 0.920 19.638 ( 4.553 5.227 -0.255) 6.936 ======================= Grid point 621 (283/324) ======================= q-point: (-0.43 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.425 ( 2.198 0.449 -0.903) 2.418 1.630 ( -1.938 0.964 0.370) 2.196 1.642 ( -1.650 -0.449 1.254) 2.120 2.086 ( -0.293 0.680 0.014) 0.740 2.279 ( 2.438 1.169 -1.062) 2.905 2.901 ( -0.050 -2.354 0.133) 2.359 3.079 ( -1.609 1.964 0.405) 2.571 3.231 ( 1.520 4.277 -1.469) 4.771 3.446 ( 3.575 1.163 -0.069) 3.760 3.760 ( -3.305 8.729 -0.352) 9.340 3.811 ( -4.415 -9.285 5.351) 11.590 3.889 ( 4.295 -1.404 -1.134) 4.659 4.291 ( -3.375 -10.377 -6.592) 12.748 4.510 ( 1.833 4.094 3.942) 5.972 5.575 ( -0.028 2.787 1.300) 3.076 5.635 ( 0.988 -0.417 -1.342) 1.718 5.959 ( -0.360 1.430 -1.421) 2.048 6.145 ( 0.036 -2.295 1.418) 2.698 7.344 ( -1.360 -6.914 -0.830) 7.095 7.377 ( -0.793 2.148 0.687) 2.390 7.500 ( -0.616 -2.216 1.014) 2.514 7.730 ( 5.996 7.840 -1.413) 9.971 8.179 ( 0.942 0.449 0.164) 1.056 8.364 ( 0.558 -2.053 -0.078) 2.129 8.758 ( -9.324 4.427 0.893) 10.360 8.871 ( -12.581 -6.418 -4.091) 14.704 8.948 ( 6.973 -3.279 0.125) 7.706 9.223 ( 12.693 4.039 4.738) 14.138 9.628 ( 1.638 1.823 3.001) 3.874 10.194 ( -6.244 3.572 -2.338) 7.564 10.433 ( -1.074 -5.822 -4.301) 7.318 11.234 ( 0.511 -0.423 1.381) 1.532 11.834 ( 3.496 -2.603 1.377) 4.571 12.303 ( 0.258 0.197 0.138) 0.353 13.814 ( -0.168 0.871 0.177) 0.904 14.400 ( -0.886 -0.346 -0.629) 1.140 14.853 ( 1.199 -0.015 -0.241) 1.224 14.976 ( -1.179 -1.007 0.233) 1.567 17.920 ( -0.047 1.947 -0.084) 1.949 18.601 ( 0.064 -2.329 0.111) 2.333 19.014 ( 0.001 0.018 -0.012) 0.021 19.574 ( -0.018 2.665 0.008) 2.665 ======================= Grid point 622 (284/324) ======================= q-point: (-0.36 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.422 ( 2.101 0.810 -0.736) 2.369 1.585 ( -5.229 1.992 2.219) 6.020 1.646 ( -0.713 -0.086 0.884) 1.139 2.066 ( -1.072 1.095 -0.403) 1.584 2.248 ( 2.202 2.607 -3.016) 4.554 2.904 ( 3.692 5.083 -0.364) 6.293 2.976 ( -5.534 7.088 -1.777) 9.166 3.140 ( 3.463 1.741 -1.669) 4.220 3.444 ( 0.746 1.993 -0.830) 2.284 3.515 ( -7.166 9.555 -0.664) 11.962 3.872 ( -0.645 2.894 -0.864) 3.088 4.032 ( 4.915 -6.953 7.339) 11.241 4.478 ( 3.270 -10.773 -1.498) 11.358 4.591 ( -0.947 -9.852 2.927) 10.321 5.403 ( -3.025 13.942 3.236) 14.629 5.574 ( 0.648 7.289 -3.613) 8.161 5.829 ( -0.724 10.896 -4.000) 11.630 6.138 ( 1.982 4.379 2.965) 5.647 7.277 ( -0.416 6.230 1.122) 6.344 7.455 ( 1.423 -1.447 -1.229) 2.372 7.519 ( 6.339 3.927 -0.493) 7.473 7.677 ( -4.325 -6.128 -1.147) 7.588 8.124 ( 1.036 3.842 2.388) 4.641 8.510 ( -1.641 -6.206 -0.769) 6.466 8.643 ( -1.363 -1.791 -4.578) 5.102 8.902 ( -7.020 -1.049 -0.694) 7.132 9.030 ( 3.411 -1.625 0.959) 3.898 9.291 ( 8.473 -5.202 5.862) 11.542 9.590 ( 2.171 3.447 -1.445) 4.322 10.082 ( -10.523 2.000 -0.027) 10.712 10.605 ( 0.972 -11.709 -0.983) 11.790 11.326 ( 2.408 -7.891 1.259) 8.346 11.906 ( 6.536 -1.206 2.083) 6.965 12.284 ( 0.140 1.941 0.140) 1.951 13.813 ( -0.731 -1.366 -1.219) 1.971 14.388 ( 0.614 0.785 -2.676) 2.856 14.833 ( 0.454 2.595 0.766) 2.743 15.054 ( 0.278 -6.869 0.556) 6.897 17.866 ( -2.283 2.719 -0.433) 3.577 18.662 ( 2.667 -2.945 0.516) 4.006 19.026 ( 1.078 -1.225 -0.625) 1.747 19.538 ( -4.763 -0.078 0.311) 4.774 ======================= Grid point 623 (285/324) ======================= q-point: (-0.29 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.408 ( 1.384 1.593 0.164) 2.117 1.519 ( -6.012 2.725 2.970) 7.239 1.641 ( -0.457 0.559 0.406) 0.828 2.030 ( -1.402 1.910 -0.872) 2.525 2.189 ( 1.403 3.370 -3.386) 4.979 2.727 ( 4.168 13.741 -1.870) 14.480 2.799 ( -3.797 8.003 -0.286) 8.863 3.167 ( -0.065 0.846 -3.271) 3.379 3.276 ( -6.014 5.030 0.820) 7.883 3.460 ( 2.363 0.705 0.361) 2.492 3.788 ( -1.723 3.954 -1.320) 4.510 4.158 ( 6.008 -0.925 5.164) 7.976 4.686 ( 2.870 -5.842 3.210) 7.257 4.792 ( 0.221 -7.386 5.656) 9.306 5.083 ( -2.901 15.712 -1.048) 16.012 5.354 ( -1.173 14.021 -4.231) 14.693 5.548 ( -1.128 14.659 -4.849) 15.481 6.024 ( 2.671 9.682 3.209) 10.544 7.132 ( -0.983 8.921 0.048) 8.975 7.413 ( 3.003 4.171 -5.426) 7.473 7.488 ( -1.271 0.069 2.225) 2.563 7.856 ( 2.854 -10.938 0.031) 11.304 8.066 ( 1.792 4.758 4.753) 6.960 8.485 ( -11.501 -2.171 -3.379) 12.182 8.770 ( 1.489 4.120 -6.078) 7.492 8.877 ( 9.231 -6.230 2.283) 11.368 9.104 ( -1.555 -6.347 1.456) 6.694 9.478 ( 6.425 0.425 5.353) 8.374 9.557 ( -1.464 -7.911 -0.587) 8.067 10.025 ( -10.312 -1.985 -1.541) 10.614 10.841 ( 2.092 -11.671 1.341) 11.933 11.542 ( 5.344 -11.730 0.439) 12.898 11.943 ( 4.328 1.345 2.373) 5.116 12.238 ( 0.127 2.774 0.291) 2.793 13.867 ( -0.344 -5.831 -2.030) 6.184 14.359 ( 2.057 2.331 -3.193) 4.457 14.768 ( -0.887 4.560 1.082) 4.770 15.221 ( 1.375 -9.885 0.533) 9.995 17.801 ( -2.945 2.383 -0.583) 3.833 18.729 ( 2.115 -2.432 0.961) 3.363 19.075 ( 4.768 -2.932 -1.485) 5.791 19.529 ( -9.364 -2.658 0.569) 9.750 ======================= Grid point 624 (286/324) ======================= q-point: (-0.21 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.374 ( -0.530 2.671 1.761) 3.243 1.445 ( -4.367 2.933 2.912) 6.013 1.618 ( -0.271 1.831 -0.452) 1.905 1.965 ( -0.851 4.361 -1.397) 4.658 2.120 ( 0.426 3.331 -2.819) 4.385 2.462 ( 1.961 14.940 -1.048) 15.104 2.650 ( -0.487 6.495 2.096) 6.843 2.984 ( -8.267 9.800 -4.649) 13.638 3.307 ( 1.965 -3.596 -0.397) 4.117 3.469 ( 4.407 0.843 3.128) 5.469 3.708 ( -3.027 2.837 -2.071) 4.637 4.132 ( 3.099 9.051 2.689) 9.938 4.526 ( -0.836 21.441 14.303) 25.788 4.694 ( 2.090 17.738 -10.461) 20.699 4.991 ( -2.689 14.614 1.568) 14.942 5.085 ( 1.161 -4.279 -3.844) 5.868 5.411 ( 0.162 -3.865 -2.169) 4.435 5.846 ( 1.734 10.490 2.447) 10.911 6.938 ( -1.073 10.795 -0.663) 10.868 7.367 ( -1.144 -0.849 -4.028) 4.272 7.470 ( 0.183 2.744 0.670) 2.830 7.942 ( -3.318 4.677 2.194) 6.140 8.139 ( 13.398 -9.640 2.460) 16.688 8.485 ( -11.995 -2.465 0.311) 12.249 8.605 ( -1.412 5.937 -4.640) 7.667 9.065 ( 6.558 -6.619 -1.547) 9.445 9.251 ( 0.036 -4.798 2.046) 5.216 9.415 ( 6.383 3.469 1.312) 7.382 9.812 ( -2.816 -14.113 6.605) 15.834 10.043 ( -7.504 -6.087 -5.166) 10.957 11.056 ( 2.760 -8.963 1.546) 9.505 11.768 ( 13.567 -4.046 -3.431) 14.567 11.932 ( -6.404 -2.256 5.376) 8.660 12.188 ( -0.392 2.660 0.277) 2.703 14.039 ( 1.617 -13.130 -1.836) 13.356 14.282 ( 2.798 6.968 -2.077) 7.791 14.663 ( -2.255 5.617 0.559) 6.079 15.432 ( 1.485 -11.338 0.320) 11.440 17.751 ( -2.565 1.042 -0.586) 2.830 18.778 ( -0.146 -1.882 1.074) 2.172 19.179 ( 10.233 -4.546 -2.186) 11.408 19.542 ( -13.474 -4.695 0.766) 14.289 ======================= Grid point 625 (287/324) ======================= q-point: (-0.14 0.07 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.313 ( -2.075 3.562 1.911) 4.543 1.389 ( -1.381 2.457 2.765) 3.948 1.558 ( -0.187 4.495 -1.293) 4.681 1.824 ( 0.378 10.561 -1.682) 10.701 2.053 ( -0.513 2.847 -1.628) 3.320 2.218 ( -0.211 10.120 0.106) 10.123 2.568 ( 3.785 4.470 4.253) 7.238 2.720 ( -8.408 11.945 -4.793) 15.373 3.377 ( 2.780 -2.723 -1.514) 4.175 3.477 ( 3.449 2.525 3.218) 5.350 3.628 ( -2.711 4.176 0.043) 4.979 3.853 ( -0.917 18.307 2.941) 18.564 4.136 ( 0.352 27.032 3.612) 27.275 4.287 ( 0.244 16.578 -6.581) 17.838 4.619 ( -0.845 18.545 -1.346) 18.613 5.238 ( 0.647 -6.706 0.337) 6.745 5.555 ( 5.042 -7.234 1.247) 8.906 5.700 ( -2.844 4.126 -0.109) 5.012 6.720 ( -0.669 11.435 -0.416) 11.462 7.378 ( 0.723 6.347 0.255) 6.393 7.411 ( -2.086 -4.458 -2.465) 5.504 7.835 ( -1.376 5.075 1.096) 5.372 8.299 ( 6.580 6.218 -1.572) 9.188 8.479 ( 2.902 -9.388 6.455) 11.757 8.614 ( -9.836 -7.861 -5.438) 13.715 9.113 ( 1.414 15.047 -2.327) 15.291 9.205 ( 0.373 -6.305 1.637) 6.525 9.543 ( 5.370 -7.396 2.223) 9.407 10.057 ( -4.611 -10.951 5.691) 13.174 10.149 ( -1.087 -9.380 -5.192) 10.776 11.207 ( 2.003 -5.325 0.687) 5.731 11.740 ( 5.647 7.117 -1.170) 9.160 12.064 ( 0.359 -7.859 1.771) 8.064 12.139 ( -3.374 1.030 0.531) 3.567 14.084 ( 2.811 15.668 -1.543) 15.992 14.312 ( 0.513 -8.445 1.464) 8.586 14.609 ( -0.695 -7.570 -1.243) 7.703 15.654 ( 0.846 -11.181 0.148) 11.214 17.736 ( -1.538 -0.843 -0.451) 1.811 18.811 ( -1.064 -1.923 0.639) 2.288 19.334 ( 14.232 -5.703 -2.194) 15.488 19.567 ( -16.032 -5.724 0.807) 17.042 ======================= Grid point 626 (288/324) ======================= q-point: (-0.07 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.240 ( 0.000 3.977 -0.000) 3.977 1.350 ( -0.000 1.928 -0.000) 1.928 1.424 ( -0.000 9.592 0.000) 9.592 1.574 ( 0.000 14.397 -0.000) 14.397 2.003 ( 0.000 1.839 -0.000) 1.839 2.084 ( -0.000 4.739 0.000) 4.739 2.401 ( -0.000 15.435 0.000) 15.435 2.568 ( 0.000 -0.233 0.000) 0.233 3.368 ( -0.000 12.163 -0.000) 12.163 3.426 ( -0.000 -1.470 0.000) 1.470 3.470 ( -0.000 11.268 -0.000) 11.268 3.624 ( 0.000 22.713 -0.000) 22.713 3.650 ( -0.000 2.937 0.000) 2.937 3.986 ( -0.000 15.683 0.000) 15.683 4.335 ( -0.000 10.227 0.000) 10.227 5.321 ( -0.000 -2.250 0.000) 2.250 5.635 ( -0.000 -0.041 0.000) 0.041 5.740 ( -0.000 -7.984 -0.000) 7.984 6.504 ( -0.000 11.015 0.000) 11.015 7.235 ( 0.000 8.026 0.000) 8.026 7.485 ( -0.000 -2.871 0.000) 2.871 7.751 ( 0.000 3.553 0.000) 3.553 8.220 ( -0.000 0.289 0.000) 0.289 8.654 ( -0.000 -3.237 -0.000) 3.237 8.717 ( 0.000 15.920 -0.000) 15.920 8.791 ( 0.000 -5.416 0.000) 5.416 9.332 ( -0.000 -6.623 0.000) 6.623 9.672 ( 0.000 -3.794 0.000) 3.794 10.199 ( -0.000 -4.857 0.000) 4.857 10.331 ( 0.000 -9.709 -0.000) 9.709 11.283 ( 0.000 -2.238 0.000) 2.238 11.629 ( 0.000 5.277 0.000) 5.277 12.117 ( -0.000 -1.902 0.000) 1.902 12.210 ( 0.000 -5.681 0.000) 5.681 13.695 ( -0.000 26.041 0.000) 26.041 14.277 ( 0.000 5.843 -0.000) 5.843 15.009 ( 0.000 -27.445 -0.000) 27.445 15.850 ( 0.000 -8.957 0.000) 8.957 17.762 ( -0.000 -2.206 0.000) 2.206 18.848 ( 0.000 -2.171 0.000) 2.171 19.502 ( 0.000 -6.161 0.000) 6.161 19.612 ( 0.000 -5.452 0.000) 5.452 ======================= Grid point 630 (289/324) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.056 ( 15.785 0.000 -10.353) 18.877 1.201 ( 9.927 0.000 -16.537) 19.288 1.377 ( 1.736 0.000 6.122) 6.364 1.483 ( 9.543 0.000 16.764) 19.290 2.028 ( 12.033 0.000 -9.366) 15.248 2.059 ( -1.542 -0.000 0.890) 1.781 2.092 ( 1.165 0.000 7.748) 7.835 2.586 ( 7.008 0.000 -28.415) 29.267 2.673 ( -2.074 -0.000 4.850) 5.275 3.132 ( -8.907 -0.000 -1.123) 8.977 3.223 ( -14.871 -0.000 1.003) 14.905 3.567 ( 6.346 0.000 -4.596) 7.836 3.607 ( 3.560 0.000 -2.394) 4.290 3.819 ( 7.680 0.000 20.362) 21.762 4.321 ( -0.254 -0.000 15.443) 15.446 5.271 ( -8.278 -0.000 -3.923) 9.160 5.452 ( -12.531 -0.000 -1.079) 12.577 6.021 ( 2.812 0.000 -1.000) 2.984 6.241 ( 2.237 0.000 -0.085) 2.238 7.015 ( -2.439 -0.000 -0.629) 2.519 7.644 ( 10.346 0.000 1.007) 10.395 7.800 ( 8.186 0.000 7.762) 11.281 8.046 ( 2.651 0.000 0.926) 2.808 8.485 ( 0.904 0.000 10.803) 10.841 8.654 ( 1.475 0.000 -1.473) 2.084 9.188 ( 4.271 0.000 -2.918) 5.173 9.413 ( -6.372 -0.000 0.850) 6.429 9.760 ( 5.007 0.000 0.262) 5.014 10.047 ( -7.618 -0.000 -8.710) 11.571 10.415 ( 0.848 0.000 -20.139) 20.156 11.238 ( -4.497 -0.000 -1.297) 4.680 11.533 ( -3.272 -0.000 3.370) 4.697 12.310 ( -0.656 -0.000 0.758) 1.002 12.510 ( 5.083 0.000 -9.057) 10.386 12.649 ( -0.285 -0.000 -0.779) 0.830 14.230 ( 8.926 0.000 -3.675) 9.653 15.343 ( -27.638 -0.000 2.275) 27.731 16.026 ( -1.336 -0.000 -1.053) 1.701 17.924 ( 6.322 0.000 3.781) 7.366 18.988 ( 7.840 0.000 -0.878) 7.889 19.264 ( -17.736 -0.000 7.112) 19.109 20.382 ( 21.074 0.000 14.951) 25.839 ======================= Grid point 631 (290/324) ======================= q-point: ( 0.21 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.184 ( 14.717 -6.283 -12.833) 20.512 1.230 ( 8.888 -3.355 -13.570) 16.565 1.446 ( 2.117 -3.783 6.857) 8.112 1.626 ( 11.020 -3.663 13.486) 17.796 2.051 ( 4.954 -1.629 -3.513) 6.288 2.093 ( -0.923 -0.978 7.424) 7.545 2.196 ( 2.451 -7.181 -1.313) 7.700 2.594 ( 15.837 -6.939 -17.003) 24.250 2.843 ( -1.420 -15.524 -3.250) 15.924 3.123 ( -10.563 -3.091 -3.976) 11.703 3.201 ( -13.398 -6.348 2.188) 14.986 3.569 ( 4.441 -1.108 -8.632) 9.771 3.697 ( 4.514 -6.604 -2.779) 8.468 3.986 ( 5.267 -6.582 22.770) 24.280 4.364 ( 0.105 -0.015 15.132) 15.132 5.204 ( -12.195 -0.675 -5.791) 13.517 5.363 ( -9.095 2.942 -0.332) 9.565 5.967 ( 1.590 4.926 -1.883) 5.508 6.356 ( 2.466 -9.085 0.592) 9.432 7.058 ( -2.503 -5.868 -0.753) 6.424 7.717 ( 9.831 -2.262 0.320) 10.093 7.829 ( 7.915 3.119 7.412) 11.283 8.115 ( -2.034 -0.641 1.425) 2.565 8.594 ( -0.332 -6.419 10.525) 12.332 8.637 ( 3.501 0.271 -0.443) 3.539 9.146 ( 1.578 3.928 -2.536) 4.934 9.383 ( -5.034 1.024 0.149) 5.139 9.567 ( 0.115 13.709 -3.969) 14.273 10.183 ( -2.808 -11.271 0.209) 11.618 10.331 ( 3.922 2.413 -22.875) 23.333 11.193 ( -5.333 1.798 -0.925) 5.704 11.500 ( -5.398 2.068 1.785) 6.050 12.234 ( 2.936 9.272 -2.921) 10.155 12.322 ( 2.296 3.116 -1.035) 4.007 13.073 ( -2.099 -28.161 -2.357) 28.338 14.287 ( 7.506 -2.129 -4.467) 8.991 15.096 ( -22.450 11.144 3.606) 25.322 15.955 ( -2.271 5.961 -0.881) 6.439 17.947 ( 7.522 2.448 3.490) 8.646 18.994 ( 6.243 3.387 -0.542) 7.123 19.185 ( -13.738 1.556 6.528) 15.289 20.406 ( 16.255 11.095 10.899) 22.497 ======================= Grid point 632 (291/324) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.288 ( 9.115 -4.960 -12.839) 16.508 1.351 ( 12.136 -4.080 -8.352) 15.287 1.555 ( 1.127 -4.057 5.151) 6.653 1.808 ( 8.792 -6.217 10.171) 14.812 2.125 ( 2.105 -1.823 4.456) 5.254 2.134 ( 1.973 -4.128 1.094) 4.704 2.313 ( 0.040 -6.563 -5.464) 8.540 2.907 ( 17.485 -16.120 -0.323) 23.784 3.114 ( -10.272 -4.386 -4.410) 12.008 3.169 ( -3.788 -18.247 -5.480) 19.425 3.280 ( -7.043 -6.601 -0.039) 9.653 3.660 ( 3.633 -11.769 -11.960) 17.168 3.853 ( 5.081 -6.609 -0.339) 8.343 4.224 ( -0.163 -8.748 17.503) 19.568 4.475 ( 1.054 -9.197 12.403) 15.477 5.152 ( -16.610 -3.080 -5.129) 17.654 5.265 ( -1.910 2.944 -1.174) 3.701 5.862 ( 0.444 6.041 -2.131) 6.422 6.570 ( 2.640 -11.261 1.406) 11.652 7.185 ( -1.915 -8.449 -1.032) 8.724 7.789 ( 4.209 7.714 5.691) 10.470 7.831 ( 10.238 -4.147 -0.505) 11.058 8.072 ( -4.975 1.962 2.310) 5.825 8.511 ( -0.878 5.541 -2.239) 6.040 8.860 ( 0.020 -10.209 4.575) 11.187 9.068 ( -0.786 3.658 -0.721) 3.810 9.299 ( 2.595 7.336 0.742) 7.817 9.342 ( -5.485 7.299 -0.498) 9.143 10.213 ( 8.352 6.273 -21.414) 23.826 10.346 ( -3.959 -6.035 7.061) 10.097 11.109 ( -6.442 3.551 -1.378) 7.484 11.426 ( -8.678 1.459 -0.879) 8.844 12.123 ( 3.496 3.799 -1.866) 5.489 12.277 ( 1.848 3.512 -1.436) 4.220 13.558 ( -6.762 -24.638 1.438) 25.590 14.309 ( -0.463 2.076 -4.913) 5.353 14.818 ( -6.838 8.799 5.427) 12.394 15.786 ( -3.172 9.865 -0.631) 10.381 17.941 ( 8.579 3.323 2.736) 9.598 18.911 ( -2.188 6.175 0.444) 6.567 19.125 ( -4.300 1.427 3.379) 5.653 20.263 ( 14.053 13.548 3.938) 19.913 ======================= Grid point 633 (292/324) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.386 ( 9.687 -2.788 -8.802) 13.382 1.443 ( 7.697 -3.434 -4.508) 9.558 1.627 ( 0.563 -1.900 2.435) 3.140 1.986 ( 5.777 -5.070 4.734) 9.027 2.165 ( -0.571 -1.024 8.205) 8.288 2.294 ( 5.811 -9.431 0.517) 11.090 2.450 ( 2.051 -9.773 -5.693) 11.495 3.144 ( -7.587 -5.540 -6.834) 11.617 3.215 ( -7.484 -1.986 5.158) 9.304 3.264 ( 8.320 -7.938 8.089) 14.059 3.544 ( -1.687 -16.496 -8.771) 18.759 3.917 ( -0.455 -3.862 -4.218) 5.738 4.027 ( 12.315 -20.323 -7.154) 24.816 4.429 ( -5.022 -10.557 8.033) 14.185 4.794 ( 0.912 -17.989 8.897) 20.090 5.077 ( -12.567 0.953 -0.340) 12.607 5.293 ( -0.385 -7.013 -2.834) 7.573 5.742 ( -0.621 5.334 -1.826) 5.672 6.798 ( 2.612 -10.671 1.114) 11.043 7.325 ( -1.427 -7.190 -1.232) 7.433 7.623 ( -0.996 11.108 1.999) 11.330 7.966 ( 10.100 -2.359 -0.557) 10.387 7.992 ( -6.244 1.931 2.646) 7.051 8.468 ( 0.732 -1.660 -0.396) 1.857 8.967 ( 0.192 -0.484 -7.388) 7.407 8.998 ( -1.947 3.737 3.139) 5.254 9.196 ( -2.859 4.557 4.753) 7.178 9.208 ( -1.883 3.840 4.821) 6.445 10.034 ( 6.358 9.829 -17.308) 20.895 10.413 ( 2.359 1.187 7.295) 7.758 10.977 ( -7.905 5.884 -3.780) 10.555 11.378 ( -10.879 -2.712 -0.743) 11.237 12.065 ( 2.386 5.468 -3.472) 6.902 12.207 ( 0.643 2.642 -0.219) 2.728 13.918 ( -10.010 -16.761 5.745) 20.350 14.170 ( -4.077 7.472 -2.974) 9.017 14.758 ( 4.559 0.454 2.900) 5.422 15.561 ( -3.828 11.493 -0.582) 12.128 17.938 ( 8.919 2.503 2.068) 9.491 18.770 ( -6.834 5.746 -0.011) 8.929 19.097 ( 0.409 1.627 1.651) 2.354 20.094 ( 12.062 12.026 0.780) 17.051 ======================= Grid point 634 (293/324) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.429 ( 7.274 0.007 -4.890) 8.765 1.535 ( 4.640 -3.429 -2.305) 6.213 1.654 ( -0.140 -0.444 1.063) 1.160 2.077 ( 3.588 -1.679 -0.218) 3.968 2.218 ( 1.712 -1.659 7.150) 7.537 2.532 ( 3.728 -11.693 4.274) 12.996 2.660 ( 2.995 -11.972 -3.688) 12.881 3.123 ( -7.638 0.217 -3.364) 8.349 3.272 ( -3.571 -7.580 0.542) 8.396 3.471 ( 8.062 -5.160 9.662) 13.601 3.736 ( -4.934 -8.914 -6.385) 12.024 3.879 ( -2.015 3.922 0.187) 4.413 4.461 ( 0.501 -8.802 -5.986) 10.656 4.594 ( 4.547 -14.965 -7.050) 17.156 5.009 ( -6.922 -3.872 2.308) 8.261 5.193 ( -0.031 -16.124 6.695) 17.459 5.467 ( 1.193 -10.695 1.397) 10.852 5.693 ( -2.680 -3.419 -2.106) 4.828 6.989 ( 1.911 -7.773 -1.520) 8.147 7.403 ( -5.862 1.506 3.034) 6.770 7.440 ( -1.182 1.686 -2.252) 3.051 7.895 ( -0.780 3.365 4.472) 5.650 8.116 ( 9.426 -4.660 -2.543) 10.818 8.521 ( -5.922 -4.171 -0.623) 7.270 8.857 ( -2.067 7.803 -1.571) 8.223 8.913 ( 4.013 6.517 0.029) 7.654 9.118 ( -2.525 3.283 6.818) 7.977 9.228 ( -3.587 -3.314 3.338) 5.915 9.834 ( 5.067 8.709 -10.635) 14.650 10.373 ( 6.890 6.619 2.255) 9.817 10.783 ( -9.999 7.762 -6.274) 14.128 11.412 ( -7.128 -5.068 1.065) 8.811 11.885 ( -2.691 10.692 -3.410) 11.541 12.213 ( 1.594 -1.609 0.361) 2.293 13.999 ( -5.241 5.217 5.876) 9.445 14.163 ( -5.093 -9.832 -0.278) 11.076 14.799 ( 5.298 -0.715 0.659) 5.386 15.325 ( -4.071 10.762 -0.773) 11.532 17.954 ( 8.289 1.266 1.542) 8.525 18.640 ( -7.833 3.715 -0.552) 8.687 19.074 ( 1.250 1.772 0.970) 2.376 19.941 ( 9.536 10.363 -0.101) 14.083 ======================= Grid point 635 (294/324) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.443 ( 5.196 0.524 -2.932) 5.989 1.596 ( 1.703 -1.874 -0.439) 2.570 1.654 ( -1.333 0.274 0.527) 1.459 2.103 ( 1.588 -0.056 -0.207) 1.602 2.278 ( 4.072 -1.046 3.655) 5.571 2.747 ( -0.433 -7.018 3.610) 7.903 2.895 ( 0.791 -12.694 -0.737) 12.740 3.111 ( -0.383 -2.829 -0.302) 2.871 3.425 ( -0.050 -8.883 -0.283) 8.888 3.602 ( 7.023 -0.989 8.636) 11.175 3.782 ( -5.224 3.467 0.394) 6.282 3.830 ( -3.050 -6.818 -6.964) 10.212 4.339 ( -8.453 8.995 -6.360) 13.886 4.793 ( 1.260 2.175 -4.103) 4.811 5.191 ( 5.576 -16.627 -1.614) 17.611 5.466 ( -0.235 -10.517 4.127) 11.300 5.705 ( 0.707 -12.103 5.163) 13.177 5.830 ( -3.583 -11.834 -3.329) 12.805 7.076 ( -3.072 -3.621 -4.348) 6.439 7.371 ( -1.828 -2.695 4.133) 5.261 7.455 ( -1.275 -0.477 0.064) 1.363 7.884 ( 3.756 -0.039 2.574) 4.553 8.190 ( 6.534 1.314 -2.876) 7.259 8.532 ( -8.678 -0.934 -2.126) 8.983 8.699 ( -7.671 5.430 3.156) 9.914 8.841 ( 8.294 2.735 -0.803) 8.770 9.041 ( -6.049 5.469 5.203) 9.673 9.290 ( 3.989 -2.452 -0.188) 4.686 9.722 ( 3.610 4.125 2.187) 5.902 10.281 ( 6.965 5.631 -5.171) 10.342 10.557 ( -11.315 7.683 -6.915) 15.326 11.434 ( 0.650 4.369 1.848) 4.788 11.712 ( -6.218 0.906 -1.407) 6.439 12.259 ( 1.337 -1.989 0.278) 2.412 13.910 ( -1.026 3.886 3.049) 5.045 14.291 ( -4.958 -6.188 1.958) 8.167 14.833 ( 4.141 -0.223 -0.412) 4.168 15.123 ( -3.852 7.909 -0.884) 8.841 17.976 ( 6.337 1.175 0.972) 6.518 18.556 ( -6.656 0.797 -0.535) 6.725 19.049 ( 0.897 1.659 0.584) 1.974 19.801 ( 6.569 8.791 -0.260) 10.977 ======================= Grid point 636 (295/324) ======================= q-point: ( 0.57 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.448 ( 4.237 0.682 -1.948) 4.713 1.626 ( -0.906 -0.897 1.107) 1.688 1.635 ( -2.399 0.729 0.251) 2.520 2.101 ( 0.381 0.702 0.119) 0.807 2.312 ( 4.203 0.650 0.752) 4.319 2.831 ( -2.481 -3.796 0.576) 4.571 3.066 ( -2.256 -4.094 0.925) 4.765 3.230 ( 5.491 -5.497 1.286) 7.876 3.553 ( 6.966 1.462 -0.118) 7.119 3.632 ( 0.358 -3.204 4.935) 5.895 3.764 ( -5.528 -4.688 3.472) 8.037 3.933 ( 1.159 -2.798 -5.386) 6.179 4.103 ( -9.910 3.645 -8.047) 13.276 4.661 ( -0.191 8.385 0.678) 8.415 5.497 ( 6.214 -11.013 -3.376) 13.087 5.610 ( -1.318 -3.657 3.389) 5.158 5.905 ( -0.109 -6.703 1.326) 6.834 6.022 ( -2.133 -9.930 -0.402) 10.164 7.148 ( -4.393 -8.292 -2.256) 9.651 7.417 ( 0.061 0.620 -0.964) 1.148 7.466 ( -0.252 -1.728 4.013) 4.377 7.915 ( 9.265 3.382 -0.343) 9.869 8.146 ( 0.569 0.899 -1.473) 1.817 8.441 ( -2.091 6.561 0.248) 6.890 8.642 ( -12.549 -4.580 0.977) 13.395 8.857 ( -3.312 4.270 -0.981) 5.493 8.924 ( 2.161 -0.124 0.518) 2.226 9.352 ( 10.563 0.531 2.258) 10.814 9.699 ( 1.658 2.694 9.086) 9.621 10.218 ( 2.595 2.275 -8.687) 9.348 10.359 ( -10.234 3.331 -6.552) 12.600 11.302 ( 0.140 6.863 1.623) 7.053 11.768 ( 0.082 -5.845 0.867) 5.910 12.296 ( 0.738 -1.150 0.256) 1.390 13.854 ( -0.000 2.765 1.540) 3.165 14.362 ( -2.851 -3.050 0.986) 4.290 14.851 ( 2.740 -0.237 -0.781) 2.858 14.993 ( -3.037 3.570 -0.370) 4.702 17.969 ( 2.907 2.457 0.326) 3.820 18.544 ( -3.319 -2.429 -0.163) 4.116 19.026 ( 0.276 1.171 0.291) 1.238 19.677 ( 3.308 6.976 -0.179) 7.722 ======================= Grid point 637 (296/324) ======================= q-point: (-0.36 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.450 ( 4.115 0.803 -1.668) 4.512 1.594 ( -5.644 1.367 2.033) 6.153 1.641 ( -0.101 -0.449 0.486) 0.669 2.083 ( -0.276 1.175 -0.015) 1.207 2.301 ( 2.996 2.341 -1.263) 4.006 2.901 ( -0.147 -4.088 0.199) 4.096 3.050 ( -3.757 3.751 0.242) 5.314 3.263 ( 6.226 4.616 -1.667) 7.928 3.485 ( 3.866 4.381 -0.281) 5.849 3.691 ( -9.297 11.580 1.314) 14.908 3.824 ( 0.345 -9.244 2.811) 9.668 3.933 ( 3.744 -5.946 2.740) 7.542 4.201 ( -4.504 -13.597 -8.198) 16.503 4.552 ( 1.501 2.517 3.140) 4.296 5.584 ( -0.045 4.812 1.633) 5.082 5.636 ( 1.085 -0.395 -1.683) 2.041 5.945 ( -0.233 2.414 -1.614) 2.913 6.155 ( -0.045 -4.019 1.596) 4.324 7.323 ( -1.626 -11.063 -0.554) 11.195 7.372 ( -0.682 3.115 0.445) 3.219 7.503 ( -0.217 -1.643 1.003) 1.937 7.789 ( 6.556 11.881 -1.869) 13.698 8.203 ( 3.492 -0.439 0.858) 3.622 8.366 ( -0.562 -3.840 -0.023) 3.881 8.677 ( -7.147 5.589 0.734) 9.103 8.717 ( -11.264 -6.736 -3.469) 13.575 9.012 ( 4.385 -3.745 0.560) 5.793 9.385 ( 12.681 3.413 4.703) 13.949 9.667 ( 0.553 3.742 3.751) 5.327 10.098 ( -7.891 5.203 -3.166) 9.968 10.382 ( -2.026 -9.707 -5.799) 11.487 11.250 ( 0.628 -1.038 1.611) 2.017 11.887 ( 4.104 -4.588 1.614) 6.363 12.308 ( 0.385 0.363 0.196) 0.564 13.814 ( -0.218 1.640 0.209) 1.667 14.384 ( -1.172 -0.545 -0.783) 1.511 14.869 ( 2.150 0.154 -0.400) 2.193 14.960 ( -2.087 -2.069 0.382) 2.964 17.918 ( -0.058 3.492 -0.104) 3.494 18.602 ( 0.079 -4.187 0.138) 4.190 19.014 ( 0.002 0.041 -0.014) 0.043 19.574 ( -0.022 4.798 0.010) 4.798 ======================= Grid point 638 (297/324) ======================= q-point: (-0.29 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.448 ( 4.202 1.236 -1.593) 4.661 1.538 ( -6.413 1.965 2.537) 7.171 1.646 ( -0.175 -0.010 0.530) 0.558 2.055 ( -0.572 1.564 -0.288) 1.690 2.253 ( 1.654 3.361 -1.871) 4.187 2.918 ( -3.629 7.105 -0.803) 8.018 2.937 ( 2.480 3.649 -0.158) 4.414 3.184 ( 6.736 3.882 -1.615) 7.940 3.413 ( -8.695 11.722 0.806) 14.617 3.461 ( 0.173 -0.222 -1.000) 1.038 3.859 ( -0.798 3.212 -0.330) 3.326 4.128 ( 4.841 -6.764 5.732) 10.102 4.448 ( -2.527 -16.446 -4.541) 17.247 4.631 ( 2.189 -7.917 3.561) 8.953 5.397 ( -1.476 14.643 2.074) 14.863 5.559 ( 0.128 8.394 -2.387) 8.728 5.802 ( -0.422 11.718 -2.361) 11.961 6.170 ( 1.151 3.356 1.760) 3.960 7.275 ( -0.465 6.466 0.257) 6.488 7.461 ( 0.772 -2.209 -0.519) 2.397 7.567 ( 3.422 7.826 -0.554) 8.559 7.638 ( -2.123 -9.136 -0.548) 9.396 8.180 ( 5.796 3.470 3.790) 7.746 8.434 ( -9.241 2.336 -2.640) 9.890 8.653 ( 7.895 -9.977 -5.343) 13.800 8.808 ( -11.054 -7.297 2.908) 13.561 9.067 ( 2.272 0.699 0.249) 2.390 9.422 ( 9.985 -1.467 4.213) 10.936 9.599 ( -0.537 3.595 -0.306) 3.647 9.976 ( -8.053 2.307 -1.285) 8.475 10.599 ( -0.221 -13.941 -1.386) 14.012 11.357 ( 1.648 -8.805 1.074) 9.022 11.976 ( 4.301 -1.612 1.421) 4.808 12.287 ( 0.254 1.985 0.188) 2.010 13.799 ( -0.591 -0.823 -0.678) 1.219 14.376 ( -0.064 0.352 -1.672) 1.710 14.844 ( 0.696 3.057 0.363) 3.156 15.057 ( -0.122 -7.830 0.362) 7.840 17.846 ( -1.218 3.566 -0.248) 3.777 18.686 ( 1.375 -3.715 0.334) 3.975 19.034 ( 0.977 -2.231 -0.417) 2.471 19.498 ( -2.982 2.409 0.210) 3.840 ======================= Grid point 639 (298/324) ======================= q-point: (-0.21 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.432 ( 3.355 2.369 -0.897) 4.204 1.475 ( -5.119 2.091 2.018) 5.886 1.641 ( -0.087 0.729 0.207) 0.763 2.016 ( -0.484 2.221 -0.367) 2.303 2.185 ( 0.553 3.805 -1.225) 4.035 2.758 ( 2.475 14.264 -0.630) 14.491 2.769 ( -1.512 6.909 -0.191) 7.075 3.139 ( -1.179 9.914 -1.713) 10.130 3.242 ( -1.929 -2.591 0.917) 3.358 3.481 ( 1.093 -1.238 0.214) 1.665 3.768 ( -0.829 4.910 -0.541) 5.009 4.227 ( 2.398 -0.361 2.005) 3.147 4.708 ( -0.016 -9.314 0.904) 9.358 4.835 ( 1.420 -9.412 2.588) 9.864 5.055 ( -1.337 19.335 -0.454) 19.387 5.322 ( -0.687 15.073 -2.031) 15.225 5.520 ( -0.371 14.973 -1.676) 15.071 6.057 ( 0.975 9.283 1.178) 9.408 7.123 ( -0.429 9.283 -0.200) 9.295 7.408 ( 0.823 6.182 -2.122) 6.587 7.489 ( -0.490 -0.486 0.878) 1.117 7.869 ( 0.058 -11.224 0.081) 11.225 8.163 ( 8.665 4.032 5.335) 10.946 8.338 ( -10.729 -2.084 -4.849) 11.957 8.753 ( 0.397 4.849 -2.041) 5.276 8.981 ( 8.525 -9.487 1.126) 12.804 9.067 ( -6.308 -6.332 0.357) 8.945 9.527 ( 0.627 4.096 -0.294) 4.154 9.590 ( 3.738 -10.256 3.059) 11.337 9.923 ( -5.761 -1.284 -1.651) 6.128 10.859 ( 0.627 -12.963 0.324) 12.982 11.585 ( 2.074 -13.421 0.237) 13.583 11.985 ( 1.587 2.917 0.893) 3.438 12.242 ( 0.172 2.807 0.181) 2.818 13.855 ( -0.229 -6.123 -0.742) 6.172 14.358 ( 0.579 1.609 -1.231) 2.108 14.768 ( -0.163 5.264 0.407) 5.282 15.233 ( 0.456 -10.297 0.198) 10.309 17.778 ( -1.009 2.792 -0.204) 2.976 18.747 ( 0.518 -2.092 0.378) 2.189 19.113 ( 3.029 -5.236 -0.694) 6.089 19.455 ( -4.503 0.119 0.329) 4.516 ======================= Grid point 640 (299/324) ======================= q-point: (-0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.379 ( -0.000 3.578 0.000) 3.578 1.429 ( -0.000 1.936 0.000) 1.936 1.616 ( 0.000 2.064 0.000) 2.064 1.956 ( 0.000 4.331 -0.000) 4.331 2.113 ( 0.000 3.657 0.000) 3.657 2.470 ( -0.000 15.561 0.000) 15.561 2.658 ( 0.000 4.740 0.000) 4.740 2.920 ( -0.000 11.512 -0.000) 11.512 3.316 ( 0.000 -4.003 0.000) 4.003 3.506 ( 0.000 -0.556 0.000) 0.556 3.681 ( -0.000 3.706 0.000) 3.706 4.156 ( -0.000 10.057 0.000) 10.057 4.606 ( -0.000 20.915 -0.000) 20.915 4.632 ( 0.000 19.253 0.000) 19.253 4.988 ( -0.000 19.718 0.000) 19.718 5.076 ( 0.000 -10.205 -0.000) 10.205 5.405 ( -0.000 -5.146 0.000) 5.146 5.863 ( -0.000 10.890 0.000) 10.890 6.929 ( -0.000 10.902 0.000) 10.902 7.348 ( -0.000 -0.191 0.000) 0.191 7.473 ( 0.000 2.704 0.000) 2.704 7.931 ( 0.000 4.112 0.000) 4.112 8.261 ( -0.000 -11.052 -0.000) 11.052 8.376 ( 0.000 -3.883 0.000) 3.883 8.588 ( 0.000 9.081 0.000) 9.081 9.098 ( 0.000 -5.094 -0.000) 5.094 9.255 ( -0.000 -4.835 0.000) 4.835 9.454 ( -0.000 0.866 0.000) 0.866 9.830 ( 0.000 -12.756 0.000) 12.756 9.974 ( 0.000 -6.471 -0.000) 6.471 11.075 ( 0.000 -9.390 -0.000) 9.390 11.852 ( -0.000 -13.271 0.000) 13.271 11.893 ( 0.000 6.832 -0.000) 6.832 12.186 ( 0.000 3.166 0.000) 3.166 14.042 ( -0.000 -14.022 0.000) 14.022 14.290 ( 0.000 6.394 -0.000) 6.394 14.653 ( 0.000 6.384 0.000) 6.384 15.441 ( 0.000 -11.432 0.000) 11.432 17.736 ( -0.000 1.220 0.000) 1.220 18.779 ( 0.000 -1.475 0.000) 1.475 19.243 ( 0.000 -7.014 0.000) 7.014 19.457 ( 0.000 -2.021 0.000) 2.021 ======================= Grid point 646 (300/324) ======================= q-point: ( 0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.170 ( 19.462 0.000 -11.716) 22.717 1.200 ( 10.374 0.000 -16.599) 19.574 1.441 ( 2.458 0.000 6.794) 7.225 1.706 ( 13.615 0.000 14.465) 19.865 2.044 ( -2.675 -0.000 1.331) 2.988 2.091 ( 4.475 0.000 1.295) 4.659 2.145 ( 1.968 0.000 1.761) 2.641 2.554 ( 22.708 0.000 -27.801) 35.896 2.683 ( -2.721 -0.000 6.380) 6.936 3.022 ( -10.267 -0.000 -1.600) 10.391 3.065 ( -13.609 -0.000 -3.059) 13.949 3.566 ( 2.663 0.000 -8.540) 8.946 3.625 ( 3.228 0.000 -3.012) 4.415 4.032 ( 3.772 0.000 24.571) 24.859 4.428 ( 0.573 0.000 17.407) 17.417 5.109 ( -16.336 -0.000 -5.546) 17.251 5.349 ( -7.088 -0.000 0.448) 7.102 6.021 ( -0.118 -0.000 -3.471) 3.473 6.267 ( 2.895 0.000 -0.092) 2.897 6.982 ( -3.039 -0.000 -0.723) 3.124 7.738 ( 8.435 0.000 -1.191) 8.519 7.972 ( 12.103 0.000 10.407) 15.962 8.087 ( 3.757 0.000 1.392) 4.007 8.573 ( -0.311 -0.000 15.672) 15.675 8.656 ( 1.005 0.000 -2.413) 2.614 9.154 ( -5.352 -0.000 -6.156) 8.157 9.355 ( -6.065 -0.000 1.373) 6.218 9.812 ( 4.630 0.000 0.279) 4.639 9.958 ( -0.308 -0.000 -4.682) 4.692 10.289 ( 6.138 0.000 -29.486) 30.118 11.185 ( -4.643 -0.000 -0.423) 4.662 11.510 ( -5.282 -0.000 3.033) 6.091 12.308 ( -0.815 -0.000 0.998) 1.289 12.523 ( 7.828 0.000 -7.958) 11.163 12.640 ( -0.364 -0.000 -1.016) 1.080 14.293 ( 7.571 0.000 -4.886) 9.011 15.084 ( -24.484 -0.000 3.464) 24.728 15.998 ( -2.716 -0.000 -0.919) 2.867 18.025 ( 8.383 0.000 3.650) 9.144 19.061 ( 2.904 0.000 2.164) 3.622 19.158 ( -8.690 -0.000 5.461) 10.264 20.631 ( 8.003 0.000 14.733) 16.766 ======================= Grid point 647 (301/324) ======================= q-point: ( 0.29 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.220 ( 11.528 -2.613 -14.593) 18.780 1.304 ( 17.652 -5.368 -10.397) 21.177 1.510 ( 2.316 -3.191 5.937) 7.127 1.828 ( 11.762 -1.379 11.050) 16.197 2.067 ( 0.660 -3.225 -0.655) 3.356 2.130 ( -1.530 -0.938 8.199) 8.393 2.196 ( 0.757 -4.360 -2.851) 5.264 2.711 ( 25.831 -11.325 -15.601) 32.232 2.823 ( -1.918 -13.254 1.481) 13.474 2.983 ( -9.852 -2.244 -5.855) 11.678 3.079 ( -11.015 -8.615 0.198) 13.985 3.542 ( 1.584 -0.564 -9.015) 9.171 3.720 ( 3.479 -7.963 -2.955) 9.178 4.161 ( 0.846 -4.514 21.131) 21.624 4.466 ( 0.017 1.022 15.376) 15.410 5.008 ( -17.594 -0.940 -4.629) 18.217 5.300 ( -3.591 2.059 0.339) 4.153 5.951 ( -0.992 4.512 -4.252) 6.279 6.387 ( 2.613 -9.385 0.730) 9.770 7.026 ( -2.719 -6.188 -0.815) 6.808 7.797 ( 7.260 -2.105 -1.661) 7.739 7.974 ( 9.323 5.532 6.352) 12.565 8.124 ( 1.328 2.135 2.238) 3.366 8.589 ( -3.384 3.704 1.632) 5.276 8.722 ( 2.611 -7.003 9.175) 11.834 9.089 ( -5.772 1.268 -3.290) 6.763 9.320 ( -6.198 1.194 0.142) 6.313 9.615 ( 8.733 14.207 1.109) 16.713 10.140 ( -4.790 -11.409 -2.884) 12.705 10.245 ( 9.278 -0.185 -24.471) 26.172 11.137 ( -4.680 2.372 -0.144) 5.249 11.448 ( -6.344 3.748 0.979) 7.434 12.251 ( 2.770 7.364 -1.543) 8.017 12.341 ( 2.709 4.477 -1.175) 5.363 13.043 ( -1.223 -26.247 -1.753) 26.333 14.313 ( 2.839 0.015 -5.230) 5.951 14.920 ( -15.591 5.660 4.578) 17.207 15.922 ( -3.009 6.003 -0.707) 6.752 18.056 ( 9.444 2.500 3.084) 10.244 19.007 ( -8.897 4.908 6.031) 11.816 19.149 ( 3.633 0.975 0.573) 3.805 20.582 ( 5.749 11.158 8.710) 15.278 ======================= Grid point 648 (302/324) ======================= q-point: ( 0.36 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.322 ( 11.733 -5.406 -10.223) 16.474 1.436 ( 13.352 -2.351 -7.171) 15.337 1.596 ( 1.295 -2.795 3.817) 4.905 1.953 ( 6.979 -3.505 6.229) 9.990 2.164 ( -1.048 -2.890 7.963) 8.536 2.173 ( 3.625 -5.314 0.686) 6.469 2.293 ( 3.391 -6.289 -4.527) 8.458 2.981 ( -7.209 -4.746 -7.455) 11.405 3.065 ( -2.226 -12.867 6.262) 14.482 3.101 ( 6.463 -16.070 -5.074) 18.049 3.227 ( -1.855 -10.938 -1.572) 11.205 3.627 ( 6.299 -12.797 -12.540) 18.992 3.899 ( 5.116 -8.287 -1.611) 9.871 4.309 ( -2.510 -4.354 14.528) 15.373 4.553 ( -2.172 -8.955 11.100) 14.427 4.945 ( -17.733 -3.110 -2.554) 18.184 5.259 ( 1.733 1.105 0.377) 2.089 5.835 ( -1.775 5.447 -4.053) 7.018 6.607 ( 2.477 -11.416 1.681) 11.802 7.159 ( -1.725 -8.760 -1.124) 8.999 7.814 ( 1.568 6.585 -2.455) 7.200 7.945 ( 6.419 0.034 2.425) 6.862 8.067 ( 1.147 4.052 2.790) 5.052 8.491 ( -1.972 3.667 -0.452) 4.188 8.864 ( -1.525 -5.050 0.636) 5.313 9.047 ( -2.593 1.163 3.646) 4.623 9.242 ( -5.482 3.289 -0.141) 6.394 9.428 ( 9.165 11.723 4.742) 15.618 10.155 ( 7.437 5.321 -22.927) 24.684 10.334 ( -5.971 -9.824 5.641) 12.806 11.041 ( -5.377 5.311 -1.256) 7.661 11.339 ( -6.273 3.261 -1.397) 7.207 12.150 ( 3.732 4.268 -1.528) 5.872 12.280 ( 0.234 3.959 -0.709) 4.029 13.502 ( -5.695 -23.429 1.689) 24.171 14.251 ( -4.776 4.559 -3.696) 7.567 14.809 ( -1.387 2.249 4.325) 5.069 15.748 ( -3.289 10.115 -0.502) 10.648 18.056 ( 10.259 3.624 2.416) 11.146 18.855 ( -10.127 6.920 3.646) 12.796 19.145 ( 4.525 1.917 0.119) 4.916 20.394 ( 7.374 13.157 2.615) 15.308 ======================= Grid point 649 (303/324) ======================= q-point: ( 0.43 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.443 ( 10.732 -2.682 -7.035) 13.110 1.502 ( 7.833 -1.618 -2.728) 8.451 1.644 ( -0.121 -1.064 2.050) 2.313 2.051 ( 3.409 -3.013 -0.634) 4.593 2.220 ( -0.099 -1.853 10.336) 10.501 2.362 ( 5.528 -9.376 0.487) 10.896 2.458 ( 6.118 -10.263 -2.466) 12.200 3.020 ( -6.753 -4.955 -8.155) 11.690 3.144 ( -9.567 -3.760 4.244) 11.121 3.384 ( 1.134 -9.741 5.048) 11.030 3.476 ( -0.945 -13.933 -3.812) 14.476 3.910 ( 6.228 -6.103 -5.749) 10.444 4.127 ( 13.679 -18.619 -5.071) 23.654 4.414 ( -5.487 -6.186 5.417) 9.885 4.834 ( -2.476 -15.435 5.841) 16.688 4.925 ( -16.239 -6.560 0.399) 17.519 5.310 ( 4.623 -5.168 0.615) 6.961 5.714 ( -2.119 4.668 -2.565) 5.733 6.832 ( 2.593 -10.167 1.108) 10.551 7.304 ( -1.357 -7.195 -1.021) 7.392 7.589 ( -4.093 12.607 -2.471) 13.483 7.968 ( -2.051 2.733 3.941) 5.216 8.072 ( 9.242 -3.116 -0.913) 9.796 8.452 ( -3.568 -0.547 -0.903) 3.721 8.912 ( -0.858 -0.028 -0.596) 1.045 9.010 ( -1.006 2.217 -0.601) 2.508 9.178 ( -0.746 1.741 4.975) 5.323 9.288 ( 3.406 8.741 7.884) 12.254 9.974 ( 3.630 8.668 -17.903) 20.220 10.468 ( 0.444 -2.599 5.607) 6.196 10.865 ( -8.549 8.275 -4.376) 12.677 11.288 ( -5.268 -2.249 -0.929) 5.803 12.059 ( 0.376 8.202 -2.812) 8.678 12.215 ( 0.785 1.360 0.479) 1.642 13.857 ( -8.271 -16.668 5.031) 19.276 14.112 ( -3.709 5.487 -2.339) 7.024 14.820 ( 4.100 -0.423 2.255) 4.698 15.518 ( -3.610 11.818 -0.522) 12.368 18.050 ( 10.162 3.205 1.866) 10.817 18.687 ( -9.610 5.938 1.051) 11.345 19.126 ( 3.315 2.291 0.289) 4.040 20.199 ( 7.597 11.985 0.384) 14.196 ======================= Grid point 650 (304/324) ======================= q-point: ( 0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.479 ( 8.107 0.893 -4.798) 9.462 1.570 ( 3.340 -2.123 -0.065) 3.959 1.653 ( -1.499 0.091 1.190) 1.916 2.100 ( 1.949 -1.195 -1.450) 2.707 2.295 ( 4.937 -1.564 5.897) 7.848 2.578 ( -0.449 -11.677 2.538) 11.958 2.687 ( 5.366 -9.674 -0.547) 11.076 3.036 ( -4.159 -3.556 -3.334) 6.408 3.241 ( -3.457 -8.882 0.453) 9.542 3.556 ( -1.795 -8.698 0.021) 8.881 3.640 ( -5.579 -5.612 1.632) 8.079 3.913 ( 7.074 5.187 1.249) 8.860 4.393 ( -6.528 1.306 -2.996) 7.300 4.634 ( 10.783 -18.375 -8.758) 23.035 4.953 ( -6.286 -8.634 2.549) 10.980 5.203 ( -4.416 -17.960 3.922) 18.906 5.497 ( 3.518 -11.398 0.521) 11.940 5.660 ( -2.483 -2.023 0.005) 3.203 6.994 ( 1.264 -4.761 -2.373) 5.468 7.363 ( -5.958 2.525 4.705) 8.001 7.414 ( -0.077 -1.814 -3.945) 4.343 7.926 ( 1.466 2.100 3.670) 4.475 8.184 ( 6.234 -3.813 -3.208) 7.980 8.443 ( -7.100 -1.710 -1.172) 7.396 8.813 ( -4.836 7.468 1.943) 9.107 8.967 ( 7.376 4.518 -3.614) 9.374 9.151 ( -2.407 6.612 8.857) 11.311 9.243 ( 1.678 -3.350 6.046) 7.113 9.806 ( 2.939 4.899 -11.081) 12.467 10.445 ( 4.624 7.136 1.321) 8.605 10.633 ( -10.522 8.779 -6.217) 15.048 11.370 ( -2.462 -7.831 0.781) 8.246 11.834 ( -3.577 12.515 -2.033) 13.174 12.234 ( 1.727 -1.549 0.416) 2.357 13.984 ( -4.574 3.338 5.806) 8.110 14.110 ( -3.680 -10.185 -1.822) 10.981 14.856 ( 4.620 -0.189 0.848) 4.700 15.278 ( -3.890 10.980 -0.753) 11.673 18.052 ( 8.791 2.458 1.369) 9.230 18.552 ( -8.526 3.240 -0.194) 9.123 19.096 ( 2.023 2.349 0.346) 3.120 20.021 ( 6.191 10.809 -0.120) 12.457 ======================= Grid point 651 (305/324) ======================= q-point: ( 0.57 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.483 ( 6.142 1.101 -3.211) 7.018 1.608 ( -0.508 -0.968 1.472) 1.834 1.637 ( -2.050 0.680 0.337) 2.186 2.113 ( 0.736 0.140 -0.341) 0.823 2.352 ( 6.234 0.198 2.068) 6.571 2.739 ( -4.808 -5.011 2.148) 7.269 2.893 ( 0.282 -11.782 -0.902) 11.820 3.142 ( 5.437 -6.900 1.559) 8.922 3.416 ( -1.231 -10.439 -0.703) 10.535 3.665 ( -4.890 -1.524 5.547) 7.550 3.725 ( -3.800 -10.800 -4.945) 12.472 3.829 ( 8.302 8.477 1.991) 12.031 4.218 ( -7.985 9.934 -5.267) 13.791 4.769 ( -1.098 2.302 -3.006) 3.943 5.244 ( 6.388 -17.628 -1.857) 18.841 5.479 ( -1.619 -11.190 2.881) 11.668 5.736 ( 0.957 -11.226 2.070) 11.455 5.784 ( -2.893 -11.693 -0.652) 12.063 7.018 ( -3.089 -2.194 -3.114) 4.904 7.389 ( 1.002 -3.574 2.057) 4.243 7.444 ( -1.522 -1.618 1.118) 2.487 7.938 ( 3.811 -1.261 1.660) 4.343 8.215 ( 2.353 2.380 -3.974) 5.195 8.446 ( -6.060 -2.533 -0.223) 6.571 8.642 ( -5.244 7.801 1.351) 9.496 8.915 ( 6.508 3.124 -0.963) 7.283 9.005 ( -5.772 7.759 3.857) 10.411 9.365 ( 6.832 -4.128 4.346) 9.089 9.762 ( 2.112 0.270 0.824) 2.283 10.300 ( 2.711 7.879 -6.145) 10.353 10.402 ( -9.378 8.295 -4.940) 13.460 11.464 ( 2.810 5.013 1.568) 5.957 11.645 ( -5.427 -2.261 -0.602) 5.910 12.274 ( 1.210 -1.645 0.274) 2.060 13.917 ( -0.828 3.327 2.233) 4.092 14.254 ( -3.615 -6.974 0.857) 7.902 14.876 ( 4.212 0.647 0.090) 4.263 15.076 ( -4.080 7.662 -0.842) 8.721 18.044 ( 5.563 3.044 0.735) 6.384 18.487 ( -5.717 -0.689 -0.320) 5.767 19.062 ( 0.958 2.140 0.272) 2.360 19.855 ( 4.011 9.598 -0.168) 10.403 ======================= Grid point 652 (306/324) ======================= q-point: ( 0.64 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.484 ( 5.150 0.938 -2.275) 5.707 1.595 ( -5.349 1.050 2.309) 5.920 1.633 ( 0.408 -0.483 -0.141) 0.648 2.104 ( 0.115 0.932 0.031) 0.939 2.359 ( 3.726 2.130 0.114) 4.293 2.806 ( -2.442 -4.866 0.298) 5.452 3.048 ( -1.646 -3.689 0.474) 4.067 3.288 ( 4.341 -3.388 0.065) 5.507 3.609 ( 4.006 -8.878 1.244) 9.819 3.698 ( 5.852 8.427 2.955) 10.677 3.734 ( -5.392 -6.325 5.837) 10.156 3.903 ( -0.379 -7.964 -4.742) 9.276 3.957 ( -8.592 6.580 -7.196) 12.996 4.659 ( -0.586 6.538 0.225) 6.568 5.533 ( 4.133 -9.879 -2.471) 10.990 5.616 ( -0.985 -3.123 2.418) 4.071 5.909 ( 0.209 -5.704 -0.072) 5.709 6.004 ( -1.611 -11.426 0.622) 11.556 7.100 ( -2.528 -9.143 -1.133) 9.554 7.412 ( 0.102 1.034 -0.662) 1.232 7.489 ( 0.373 -1.468 2.471) 2.899 8.006 ( 8.875 2.207 -0.850) 9.185 8.129 ( -2.423 0.477 -0.911) 2.632 8.426 ( -0.965 5.438 0.075) 5.524 8.536 ( -8.293 -3.258 0.602) 8.931 8.802 ( -3.874 8.750 -0.632) 9.590 8.964 ( 2.870 -2.655 0.636) 3.962 9.475 ( 8.787 -1.690 3.167) 9.492 9.766 ( 0.601 3.326 7.023) 7.794 10.179 ( 0.005 6.936 -6.730) 9.664 10.221 ( -7.518 -0.954 -5.812) 9.551 11.312 ( 0.057 6.964 1.069) 7.046 11.781 ( 0.869 -8.415 0.833) 8.500 12.305 ( 0.573 -0.897 0.189) 1.081 13.861 ( -0.023 2.963 0.914) 3.101 14.341 ( -1.812 -3.478 0.335) 3.936 14.880 ( 3.469 0.665 -0.414) 3.556 14.956 ( -3.653 2.590 -0.201) 4.483 17.995 ( 1.746 4.150 0.159) 4.505 18.516 ( -1.956 -4.115 -0.046) 4.557 19.030 ( 0.230 1.517 0.137) 1.540 19.703 ( 1.724 8.023 -0.092) 8.207 ======================= Grid point 653 (307/324) ======================= q-point: (-0.29 0.21 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.486 ( 4.652 0.882 -1.844) 5.081 1.547 ( -5.353 1.653 2.040) 5.963 1.643 ( 0.008 -0.404 0.168) 0.437 2.081 ( -0.102 1.422 -0.015) 1.425 2.319 ( 1.346 3.176 -0.547) 3.493 2.900 ( -0.169 -5.141 0.108) 5.145 3.020 ( -1.697 4.772 0.033) 5.065 3.316 ( 4.118 2.126 -0.848) 4.712 3.525 ( 4.730 8.761 -0.446) 9.966 3.602 ( -8.436 12.209 1.136) 14.883 3.839 ( 0.337 -6.237 0.644) 6.280 4.005 ( 4.382 -11.047 6.436) 13.515 4.100 ( -4.776 -14.238 -8.055) 17.042 4.577 ( 0.558 0.972 1.138) 1.597 5.592 ( -0.022 5.741 0.736) 5.788 5.636 ( 0.424 -0.096 -0.756) 0.872 5.936 ( -0.031 2.934 -0.684) 3.013 6.162 ( -0.044 -4.978 0.669) 5.023 7.308 ( -0.667 -12.796 -0.167) 12.815 7.369 ( -0.253 3.483 0.131) 3.494 7.506 ( -0.011 -0.839 0.400) 0.930 7.829 ( 2.624 13.841 -0.929) 14.118 8.264 ( 6.714 -3.102 1.202) 7.493 8.338 ( -5.156 -3.369 -0.382) 6.171 8.615 ( -2.353 -5.191 -4.396) 7.197 8.627 ( -4.848 4.369 3.104) 7.227 9.044 ( 1.398 -3.579 0.210) 3.848 9.535 ( 10.176 1.715 3.445) 10.879 9.661 ( -4.720 6.570 0.314) 8.096 10.020 ( -3.314 5.890 -1.230) 6.870 10.334 ( -1.185 -12.193 -2.898) 12.588 11.263 ( 0.274 -1.502 0.682) 1.671 11.927 ( 1.742 -5.650 0.685) 5.953 12.312 ( 0.200 0.451 0.098) 0.503 13.813 ( -0.100 2.123 0.088) 2.128 14.370 ( -0.544 -0.613 -0.348) 0.890 14.889 ( 1.762 1.100 -0.310) 2.100 14.941 ( -1.723 -3.554 0.300) 3.961 17.917 ( -0.026 4.339 -0.046) 4.339 18.603 ( 0.035 -5.211 0.061) 5.212 19.014 ( 0.001 0.059 -0.006) 0.059 19.574 ( -0.010 5.979 0.005) 5.979 ======================= Grid point 654 (308/324) ======================= q-point: (-0.21 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.483 ( 0.000 0.936 -0.000) 0.936 1.494 ( -0.000 2.404 0.000) 2.404 1.647 ( -0.000 -0.002 0.000) 0.002 2.051 ( 0.000 1.735 -0.000) 1.735 2.256 ( -0.000 3.672 0.000) 3.672 2.896 ( 0.000 7.126 0.000) 7.126 2.950 ( -0.000 2.577 0.000) 2.577 3.231 ( 0.000 4.979 0.000) 4.979 3.349 ( 0.000 11.794 0.000) 11.794 3.462 ( 0.000 -0.234 0.000) 0.234 3.853 ( 0.000 3.409 0.000) 3.409 4.179 ( -0.000 -5.489 0.000) 5.489 4.412 ( -0.000 -18.765 0.000) 18.765 4.655 ( 0.000 -8.214 -0.000) 8.214 5.397 ( 0.000 14.917 0.000) 14.917 5.551 ( 0.000 8.863 0.000) 8.863 5.792 ( 0.000 12.005 0.000) 12.005 6.182 ( 0.000 2.992 0.000) 2.992 7.274 ( -0.000 6.608 0.000) 6.608 7.464 ( -0.000 -2.453 0.000) 2.453 7.583 ( 0.000 11.930 0.000) 11.930 7.626 ( -0.000 -12.778 0.000) 12.778 8.258 ( 0.000 0.477 0.000) 0.477 8.341 ( -0.000 6.586 0.000) 6.586 8.709 ( 0.000 -14.827 -0.000) 14.827 8.729 ( -0.000 -5.536 0.000) 5.536 9.079 ( 0.000 1.240 0.000) 1.240 9.516 ( 0.000 1.615 0.000) 1.615 9.573 ( -0.000 1.179 0.000) 1.179 9.925 ( 0.000 2.924 0.000) 2.924 10.592 ( -0.000 -14.894 0.000) 14.894 11.369 ( 0.000 -9.157 0.000) 9.157 12.004 ( -0.000 -1.682 0.000) 1.682 12.289 ( 0.000 1.972 0.000) 1.972 13.794 ( 0.000 -0.596 0.000) 0.596 14.370 ( 0.000 0.208 0.000) 0.208 14.849 ( 0.000 3.257 0.000) 3.257 15.057 ( 0.000 -8.241 0.000) 8.241 17.839 ( -0.000 3.851 0.000) 3.851 18.694 ( 0.000 -3.933 0.000) 3.933 19.038 ( 0.000 -2.802 0.000) 2.802 19.483 ( -0.000 3.476 0.000) 3.476 ======================= Grid point 662 (309/324) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.219 ( 13.085 0.000 -14.641) 19.636 1.305 ( 20.239 0.000 -11.032) 23.050 1.510 ( 2.927 0.000 6.078) 6.746 1.911 ( 8.900 0.000 7.934) 11.923 2.019 ( -4.240 -0.000 1.843) 4.623 2.138 ( -1.748 -0.000 8.015) 8.203 2.158 ( 3.627 0.000 -0.121) 3.629 2.695 ( -3.181 -0.000 6.574) 7.303 2.701 ( 32.722 0.000 -20.291) 38.503 2.906 ( -9.790 -0.000 -1.621) 9.923 2.916 ( -8.190 -0.000 -7.169) 10.884 3.527 ( -0.860 -0.000 -6.078) 6.138 3.635 ( 2.492 0.000 -3.119) 3.992 4.186 ( -1.344 -0.000 19.871) 19.917 4.529 ( -2.398 -0.000 13.886) 14.091 4.897 ( -17.689 -0.000 -2.309) 17.839 5.307 ( -1.914 -0.000 1.732) 2.582 5.976 ( -2.480 -0.000 -6.064) 6.551 6.298 ( 3.045 0.000 -0.078) 3.046 6.945 ( -3.083 -0.000 -0.660) 3.152 7.811 ( 7.220 0.000 -1.377) 7.350 8.130 ( 7.121 0.000 4.074) 8.204 8.140 ( 4.530 0.000 1.814) 4.880 8.642 ( -0.314 -0.000 -3.211) 3.226 8.671 ( -1.806 -0.000 18.361) 18.450 9.058 ( -4.375 -0.000 -1.325) 4.572 9.308 ( -4.785 -0.000 1.705) 5.080 9.858 ( 3.783 0.000 0.245) 3.791 9.948 ( 2.440 0.000 -6.998) 7.411 10.195 ( 10.953 0.000 -26.513) 28.686 11.137 ( -4.331 -0.000 0.279) 4.340 11.461 ( -6.826 -0.000 1.652) 7.024 12.306 ( -0.811 -0.000 1.063) 1.337 12.569 ( 8.625 0.000 -5.019) 9.979 12.629 ( -0.374 -0.000 -1.072) 1.135 14.311 ( 1.628 0.000 -5.233) 5.480 14.901 ( -14.783 -0.000 4.029) 15.322 15.962 ( -3.076 -0.000 -0.631) 3.140 18.141 ( 10.103 0.000 2.628) 10.439 19.016 ( -14.551 -0.000 9.562) 17.412 19.199 ( 9.510 0.000 -1.636) 9.650 20.733 ( -2.087 -0.000 9.258) 9.490 ======================= Grid point 663 (310/324) ======================= q-point: ( 0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.273 ( 14.581 -2.980 -11.171) 18.608 1.428 ( 17.437 -4.067 -8.886) 19.988 1.569 ( 2.653 -2.285 4.591) 5.774 1.952 ( 0.506 -0.930 2.684) 2.885 2.056 ( -2.348 -5.399 0.396) 5.901 2.160 ( -1.716 -1.000 6.649) 6.940 2.232 ( 7.769 -3.094 4.904) 9.694 2.807 ( -4.871 -10.451 3.265) 11.984 2.858 ( -4.929 -2.162 -8.458) 10.025 2.886 ( 16.375 -9.632 -7.391) 20.385 3.003 ( 2.690 -11.179 -3.650) 12.063 3.503 ( 2.124 -1.265 -7.436) 7.837 3.733 ( 2.484 -8.898 -2.527) 9.577 4.267 ( -3.158 -3.873 15.998) 16.760 4.512 ( -7.639 1.803 7.365) 10.763 4.820 ( -14.711 -0.893 1.406) 14.805 5.300 ( 2.050 1.290 3.365) 4.146 5.895 ( -3.066 3.957 -6.576) 8.265 6.417 ( 2.302 -9.586 0.702) 9.884 6.994 ( -2.435 -6.554 -0.726) 7.030 7.853 ( 5.844 -0.830 -1.779) 6.165 8.077 ( 5.413 6.657 2.037) 8.819 8.149 ( 1.492 2.906 -0.471) 3.300 8.555 ( -4.546 4.907 -0.252) 6.694 8.789 ( -0.254 -4.429 9.290) 10.295 9.059 ( 0.323 -0.213 5.263) 5.277 9.269 ( -3.974 2.091 0.687) 4.543 9.719 ( 8.009 11.763 2.592) 14.465 10.059 ( 1.034 -10.006 -14.432) 17.592 10.204 ( 4.168 -0.947 -12.741) 13.439 11.094 ( -3.816 2.679 0.355) 4.676 11.384 ( -6.190 4.083 -0.167) 7.417 12.268 ( 1.401 5.004 -0.185) 5.200 12.363 ( 2.938 6.934 -1.114) 7.613 13.027 ( -0.257 -24.303 -0.897) 24.321 14.277 ( -3.331 1.981 -4.334) 5.815 14.837 ( -6.198 1.237 3.823) 7.386 15.887 ( -2.914 5.996 -0.443) 6.681 18.178 ( 10.823 2.425 1.985) 11.268 18.925 ( -13.987 4.566 7.856) 16.679 19.218 ( 8.393 2.294 -1.514) 8.832 20.644 ( -1.006 9.262 4.405) 10.305 ======================= Grid point 664 (311/324) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.402 ( 13.681 -4.957 -6.507) 15.940 1.528 ( 11.420 -0.749 -5.111) 12.534 1.629 ( 1.119 -1.432 2.674) 3.233 1.986 ( -3.139 -3.610 -1.647) 5.060 2.200 ( -2.512 -2.136 7.768) 8.439 2.217 ( 4.478 -10.156 -0.005) 11.100 2.362 ( 10.131 -4.354 4.159) 11.786 2.869 ( -3.700 -4.364 -9.695) 11.258 2.977 ( -10.160 -9.652 0.754) 14.034 3.183 ( -0.996 -14.563 6.229) 15.871 3.217 ( 3.118 -10.073 -4.025) 11.286 3.662 ( 16.028 -15.239 -11.821) 25.077 3.940 ( 4.950 -11.010 -1.536) 12.169 4.365 ( -2.135 -0.923 11.202) 11.441 4.528 ( -12.780 -11.297 3.217) 17.358 4.779 ( -12.689 -1.705 1.785) 12.926 5.313 ( 5.630 0.474 4.512) 7.230 5.776 ( -3.514 4.518 -5.787) 8.140 6.640 ( 1.855 -11.709 1.606) 11.964 7.136 ( -1.252 -9.059 -0.996) 9.199 7.802 ( 0.322 10.195 -4.007) 10.959 8.001 ( 2.898 1.772 2.430) 4.177 8.103 ( 2.770 2.149 -0.159) 3.509 8.446 ( -5.551 2.632 -2.268) 6.549 8.878 ( 1.643 -3.335 4.107) 5.540 9.056 ( -0.350 3.146 3.686) 4.859 9.219 ( -1.167 1.605 4.010) 4.475 9.545 ( 7.392 12.097 4.426) 14.851 10.078 ( 4.903 6.017 -21.561) 22.915 10.301 ( -5.930 -12.831 4.306) 14.777 10.976 ( -5.617 7.625 -1.414) 9.575 11.285 ( -2.457 3.028 -1.178) 4.074 12.176 ( 2.706 5.065 -1.063) 5.840 12.276 ( -0.446 4.323 -0.136) 4.348 13.463 ( -3.947 -22.150 1.555) 22.553 14.178 ( -5.263 4.449 -2.217) 7.239 14.831 ( 0.884 -0.695 2.672) 2.899 15.714 ( -2.730 10.325 -0.318) 10.685 18.180 ( 11.102 3.781 1.546) 11.830 18.763 ( -11.964 6.893 4.069) 14.395 19.198 ( 5.505 3.064 -0.807) 6.351 20.455 ( 2.742 11.415 1.003) 11.783 ======================= Grid point 665 (312/324) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.514 ( 10.113 -1.309 -5.121) 11.412 1.565 ( 6.078 -0.200 -0.509) 6.102 1.649 ( -1.218 -0.181 1.763) 2.151 2.050 ( -0.452 -4.480 -3.125) 5.481 2.276 ( -0.877 -4.618 7.713) 9.033 2.404 ( 4.679 -6.708 -2.124) 8.450 2.559 ( 9.758 -8.937 5.416) 14.298 2.907 ( -4.824 -5.137 -8.351) 10.927 3.075 ( -7.903 -6.734 2.161) 10.606 3.330 ( -6.018 -9.230 -4.369) 11.854 3.499 ( -0.131 -11.660 5.411) 12.855 3.967 ( 9.461 -6.459 -3.851) 12.086 4.240 ( 13.387 -17.133 -4.152) 22.136 4.394 ( -2.677 -3.879 2.740) 5.452 4.754 ( -17.680 -11.097 1.766) 20.949 4.825 ( -3.582 -14.660 2.238) 15.256 5.381 ( 5.936 -3.644 3.294) 7.704 5.667 ( -3.178 3.079 -3.161) 5.438 6.863 ( 2.019 -9.790 0.891) 10.036 7.286 ( -1.045 -7.069 -0.600) 7.171 7.530 ( -3.435 13.369 -2.781) 14.080 7.990 ( 1.090 2.421 3.894) 4.713 8.129 ( 3.855 -3.092 -2.933) 5.747 8.390 ( -5.567 -0.203 -2.198) 5.989 8.940 ( 1.487 5.347 4.573) 7.191 8.987 ( 0.134 -1.651 -2.366) 2.888 9.234 ( 2.367 -0.725 8.473) 8.827 9.363 ( 2.764 11.664 5.318) 13.114 9.888 ( 0.951 7.496 -16.153) 17.833 10.496 ( -0.477 -5.994 3.633) 7.025 10.752 ( -7.607 10.760 -3.819) 13.719 11.254 ( -0.946 -1.715 -0.646) 2.062 12.041 ( -0.987 10.340 -1.659) 10.519 12.228 ( 1.037 0.342 0.490) 1.197 13.812 ( -5.358 -16.553 3.438) 17.735 14.067 ( -2.593 4.111 -1.543) 5.099 14.869 ( 2.886 -1.084 1.436) 3.401 15.482 ( -2.660 12.246 -0.376) 12.537 18.167 ( 10.257 3.862 1.274) 11.033 18.590 ( -10.029 5.774 1.080) 11.623 19.160 ( 2.986 3.024 -0.169) 4.254 20.259 ( 3.919 11.329 0.037) 11.987 ======================= Grid point 666 (313/324) ======================= q-point: ( 0.57 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.532 ( 7.535 1.559 -4.356) 8.842 1.596 ( -0.171 -0.611 2.271) 2.358 1.641 ( -1.517 0.527 0.615) 1.719 2.104 ( 0.663 -1.613 -1.259) 2.151 2.388 ( 6.949 -1.912 3.610) 8.061 2.556 ( -4.882 -10.580 0.161) 11.654 2.736 ( 2.267 -5.117 0.940) 5.676 3.022 ( 4.714 -9.500 -0.786) 10.634 3.196 ( -5.606 -9.637 -0.704) 11.171 3.472 ( -5.682 -10.839 -4.494) 13.037 3.637 ( -2.492 -2.488 4.458) 5.681 4.019 ( 9.582 4.049 2.177) 10.628 4.305 ( -6.904 4.443 -1.955) 8.439 4.677 ( 5.935 -11.687 -6.226) 14.511 4.924 ( -2.054 -16.770 2.175) 17.035 5.166 ( -4.836 -19.721 1.374) 20.352 5.540 ( 3.684 -9.592 0.306) 10.280 5.637 ( -2.451 -2.663 0.679) 3.682 6.988 ( 0.369 -1.485 -1.867) 2.414 7.347 ( -3.141 0.322 4.996) 5.910 7.388 ( 0.190 -3.063 -4.122) 5.139 7.966 ( 2.178 1.715 2.709) 3.876 8.194 ( 0.512 -2.918 -4.157) 5.105 8.380 ( -3.658 -1.753 -0.126) 4.058 8.790 ( -1.804 8.922 1.286) 9.193 9.009 ( 3.667 2.178 -1.497) 4.520 9.168 ( -2.120 10.669 4.562) 11.796 9.329 ( 4.596 -4.152 7.800) 9.960 9.759 ( 0.791 1.498 -9.216) 9.370 10.467 ( -3.055 10.384 -1.100) 10.880 10.523 ( -1.976 7.085 -2.274) 7.699 11.362 ( -0.196 -9.706 0.367) 9.715 11.791 ( -2.577 13.765 -0.878) 14.031 12.251 ( 1.127 -1.479 0.273) 1.879 13.978 ( -2.752 2.743 4.221) 5.737 14.068 ( -1.818 -10.850 -2.171) 11.214 14.901 ( 2.943 -0.335 0.626) 3.028 15.239 ( -2.633 11.534 -0.528) 11.843 18.146 ( 7.354 3.878 0.902) 8.363 18.467 ( -7.175 2.289 -0.144) 7.533 19.116 ( 1.339 2.811 0.078) 3.114 20.068 ( 2.993 10.877 -0.095) 11.282 ======================= Grid point 667 (314/324) ======================= q-point: ( 0.64 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.524 ( 4.625 1.408 -2.360) 5.380 1.594 ( -3.691 0.548 2.282) 4.374 1.630 ( 0.312 0.105 -0.306) 0.450 2.116 ( 0.197 0.140 -0.165) 0.293 2.419 ( 3.942 1.927 0.654) 4.437 2.694 ( -3.945 -6.117 0.591) 7.303 2.893 ( 0.275 -10.729 -0.362) 10.738 3.218 ( 5.178 -6.280 1.553) 8.286 3.389 ( -2.461 -13.770 -0.757) 14.008 3.641 ( -3.911 -2.102 4.560) 6.365 3.660 ( -1.022 -10.230 -5.607) 11.710 3.952 ( 8.927 8.808 4.168) 13.215 4.105 ( -7.538 10.832 -4.160) 13.836 4.743 ( -0.827 1.794 -1.168) 2.294 5.288 ( 3.146 -17.217 -0.920) 17.526 5.474 ( -1.283 -12.801 1.102) 12.912 5.752 ( 2.069 -10.577 -2.000) 10.962 5.762 ( -2.705 -11.173 2.602) 11.787 6.981 ( -1.222 -1.787 -1.098) 2.428 7.409 ( 1.269 -1.780 -0.042) 2.186 7.437 ( -1.149 -4.414 1.240) 4.727 7.977 ( 1.857 -1.843 0.759) 2.725 8.200 ( -0.324 1.835 -2.278) 2.943 8.405 ( -2.018 -2.270 0.361) 3.059 8.614 ( -1.466 8.914 0.367) 9.041 8.958 ( 3.338 6.417 -1.850) 7.466 8.978 ( -3.337 5.717 2.890) 7.223 9.454 ( 3.931 -4.287 3.167) 6.622 9.776 ( 0.572 -3.207 -0.385) 3.281 10.242 ( -3.810 8.547 -3.455) 9.975 10.348 ( 0.150 10.492 -1.260) 10.569 11.502 ( 2.436 10.288 0.698) 10.596 11.595 ( -3.187 -9.074 -0.242) 9.620 12.285 ( 0.494 -1.454 0.114) 1.540 13.921 ( -0.303 3.041 0.833) 3.167 14.231 ( -1.334 -7.378 0.204) 7.500 14.915 ( 2.547 0.436 0.230) 2.594 15.034 ( -2.518 8.205 -0.475) 8.596 18.092 ( 2.471 4.757 0.289) 5.368 18.441 ( -2.508 -2.170 -0.122) 3.319 19.071 ( 0.388 2.429 0.076) 2.461 19.882 ( 1.342 9.953 -0.060) 10.044 ======================= Grid point 668 (315/324) ======================= q-point: ( 0.71 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.512 ( -0.000 0.870 0.000) 0.870 1.565 ( 0.000 1.449 -0.000) 1.449 1.634 ( -0.000 -0.433 0.000) 0.433 2.104 ( -0.000 0.993 -0.000) 0.993 2.380 ( -0.000 2.924 0.000) 2.924 2.793 ( -0.000 -5.689 0.000) 5.689 3.041 ( -0.000 -3.311 0.000) 3.311 3.311 ( -0.000 -2.325 -0.000) 2.325 3.651 ( -0.000 -13.077 -0.000) 13.077 3.694 ( 0.000 -2.604 -0.000) 2.604 3.784 ( -0.000 7.667 -0.000) 7.667 3.858 ( 0.000 5.733 0.000) 5.733 3.885 ( -0.000 -7.063 -0.000) 7.063 4.656 ( -0.000 5.759 0.000) 5.759 5.547 ( -0.000 -9.319 -0.000) 9.319 5.619 ( -0.000 -3.026 0.000) 3.026 5.910 ( -0.000 -5.371 0.000) 5.371 5.997 ( -0.000 -11.979 -0.000) 11.979 7.083 ( -0.000 -9.466 -0.000) 9.466 7.411 ( -0.000 1.090 0.000) 1.090 7.500 ( -0.000 -1.191 -0.000) 1.191 8.078 ( 0.000 10.548 -0.000) 10.548 8.087 ( -0.000 -9.165 0.000) 9.165 8.422 ( -0.000 5.232 -0.000) 5.232 8.492 ( -0.000 -2.360 0.000) 2.360 8.780 ( -0.000 9.409 -0.000) 9.409 8.982 ( -0.000 -2.681 0.000) 2.681 9.539 ( -0.000 -2.896 0.000) 2.896 9.791 ( -0.000 4.428 0.000) 4.428 10.153 ( -0.000 9.225 0.000) 9.225 10.159 ( 0.000 -3.429 -0.000) 3.429 11.316 ( -0.000 6.943 -0.000) 6.943 11.789 ( -0.000 -9.341 -0.000) 9.341 12.309 ( -0.000 -0.806 0.000) 0.806 13.864 ( -0.000 3.034 0.000) 3.034 14.332 ( -0.000 -3.613 0.000) 3.613 14.915 ( -0.000 0.715 -0.000) 0.715 14.919 ( 0.000 2.512 -0.000) 2.512 18.005 ( -0.000 4.842 0.000) 4.842 18.505 ( -0.000 -4.795 -0.000) 4.795 19.032 ( -0.000 1.652 -0.000) 1.652 19.711 ( -0.000 8.369 0.000) 8.369 ======================= Grid point 678 (316/324) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.294 ( 16.512 0.000 -10.269) 19.445 1.441 ( 17.588 0.000 -8.777) 19.657 1.577 ( 3.868 0.000 4.189) 5.701 1.923 ( -8.243 -0.000 -1.365) 8.355 1.978 ( -6.202 -0.000 2.405) 6.652 2.164 ( 0.010 0.000 4.308) 4.308 2.279 ( 9.627 0.000 10.891) 14.536 2.693 ( -4.290 -0.000 4.215) 6.014 2.800 ( -0.440 -0.000 -9.717) 9.727 2.812 ( -6.457 -0.000 -0.148) 6.459 2.941 ( 27.962 0.000 -12.466) 30.615 3.492 ( 1.766 0.000 -3.786) 4.178 3.638 ( 1.660 0.000 -2.615) 3.097 4.241 ( -9.464 -0.000 11.687) 15.038 4.506 ( -10.355 -0.000 3.981) 11.093 4.761 ( -10.322 -0.000 4.806) 11.386 5.346 ( 4.520 0.000 6.516) 7.930 5.895 ( -4.284 -0.000 -8.382) 9.413 6.327 ( 2.585 0.000 -0.053) 2.586 6.912 ( -2.547 -0.000 -0.487) 2.593 7.872 ( 6.031 0.000 -0.934) 6.103 8.148 ( -2.016 -0.000 -4.815) 5.220 8.201 ( 4.667 0.000 2.047) 5.096 8.609 ( -1.761 -0.000 -3.412) 3.840 8.761 ( -2.594 -0.000 17.151) 17.346 9.092 ( 5.276 0.000 8.914) 10.358 9.278 ( -3.073 -0.000 1.578) 3.454 9.892 ( 2.671 0.000 0.178) 2.677 9.899 ( 3.719 0.000 -16.481) 16.895 10.175 ( 7.471 0.000 -13.102) 15.083 11.104 ( -2.506 -0.000 0.761) 2.619 11.392 ( -7.274 -0.000 0.102) 7.274 12.305 ( -0.647 -0.000 0.905) 1.113 12.619 ( -0.308 -0.000 -0.905) 0.956 12.630 ( 7.168 0.000 -2.325) 7.535 14.265 ( -3.904 -0.000 -3.927) 5.538 14.825 ( -5.143 -0.000 2.958) 5.933 15.929 ( -2.601 -0.000 -0.339) 2.623 18.263 ( 10.986 0.000 1.139) 11.044 18.921 ( -14.609 -0.000 8.558) 16.931 19.285 ( 8.524 0.000 -1.494) 8.654 20.727 ( -5.629 -0.000 3.556) 6.658 ======================= Grid point 679 (317/324) ======================= q-point: ( 0.43 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.382 ( 17.009 -3.016 -6.495) 18.455 1.538 ( 11.600 -2.700 -5.434) 13.091 1.625 ( 4.536 -1.149 1.989) 5.084 1.884 ( -11.171 -2.294 -2.075) 11.591 2.033 ( -3.340 -8.566 1.533) 9.321 2.184 ( -0.469 -0.781 4.158) 4.257 2.381 ( 8.652 -2.071 9.902) 13.312 2.754 ( -5.359 -6.217 -1.187) 8.293 2.784 ( 0.993 -2.599 -8.985) 9.406 2.910 ( -1.952 -12.243 2.513) 12.649 3.095 ( 9.952 -5.544 -4.174) 12.132 3.533 ( 14.734 -4.352 -7.402) 17.053 3.742 ( 2.029 -9.814 -1.425) 10.122 4.249 ( -17.530 -6.067 5.456) 19.336 4.450 ( -4.794 2.643 5.625) 7.849 4.724 ( -8.810 0.217 3.168) 9.364 5.385 ( 6.579 1.298 8.240) 10.624 5.807 ( -4.701 3.286 -8.507) 10.260 6.442 ( 1.595 -9.638 0.509) 9.782 6.968 ( -1.695 -6.892 -0.506) 7.115 7.896 ( 4.323 1.002 -1.454) 4.670 8.081 ( -2.048 3.263 -4.471) 5.901 8.190 ( 5.388 4.286 3.093) 7.548 8.490 ( -6.142 6.876 -2.266) 9.494 8.840 ( -0.814 -2.920 7.752) 8.323 9.142 ( 5.188 2.106 8.449) 10.136 9.251 ( -1.177 1.306 2.155) 2.781 9.802 ( 4.910 9.170 2.338) 10.661 9.995 ( 4.866 -11.037 -15.085) 19.315 10.156 ( -1.781 1.796 -6.485) 6.961 11.064 ( -2.512 3.870 0.447) 4.635 11.324 ( -4.571 2.716 -0.787) 5.375 12.277 ( 0.382 3.366 0.328) 3.404 12.385 ( 2.166 8.864 -0.751) 9.156 13.024 ( 0.292 -22.598 -0.254) 22.601 14.209 ( -4.698 2.396 -2.530) 5.850 14.822 ( -1.238 -0.836 2.126) 2.598 15.858 ( -2.100 5.992 -0.212) 6.353 18.300 ( 10.773 2.250 0.564) 11.020 18.828 ( -13.011 4.597 6.290) 15.165 19.288 ( 6.320 3.128 -1.213) 7.155 20.637 ( -2.840 6.943 1.219) 7.599 ======================= Grid point 680 (318/324) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.513 ( 12.507 -2.957 -2.974) 13.191 1.600 ( 6.755 -0.443 -2.328) 7.159 1.651 ( 0.606 0.474 1.525) 1.708 1.904 ( -8.212 -6.665 -2.762) 10.931 2.217 ( -1.023 -2.136 3.640) 4.343 2.256 ( 3.047 -12.514 -0.242) 12.882 2.511 ( 8.381 -4.370 9.261) 13.233 2.781 ( -1.060 -2.467 -10.373) 10.715 2.889 ( -6.351 -8.641 -0.425) 10.732 3.171 ( -3.814 -5.184 1.106) 6.530 3.224 ( -0.485 -16.721 1.491) 16.794 3.784 ( 16.244 -13.108 -7.541) 22.193 3.997 ( 9.128 -14.840 -1.302) 17.471 4.355 ( -20.229 -13.464 0.555) 24.306 4.409 ( -0.830 0.842 7.136) 7.233 4.696 ( -6.118 -1.657 1.158) 6.443 5.418 ( 6.547 1.369 6.947) 9.644 5.693 ( -4.560 3.211 -6.662) 8.688 6.664 ( 0.971 -12.028 1.008) 12.109 7.121 ( -0.641 -9.276 -0.601) 9.317 7.779 ( -0.165 12.657 -2.981) 13.005 8.043 ( 2.139 0.200 1.583) 2.669 8.126 ( 2.396 4.123 0.508) 4.795 8.360 ( -6.371 1.413 -3.509) 7.410 8.913 ( 0.292 -3.787 1.853) 4.226 9.094 ( 2.551 6.417 3.477) 7.732 9.257 ( 1.310 -0.265 5.970) 6.118 9.630 ( 4.162 12.352 3.184) 13.418 9.991 ( 1.489 7.635 -15.030) 16.924 10.272 ( -3.453 -15.081 2.313) 15.643 10.914 ( -4.173 9.713 -1.145) 10.633 11.268 ( -0.208 1.914 -0.586) 2.012 12.191 ( 1.123 6.189 -0.540) 6.313 12.272 ( -0.223 4.123 0.067) 4.130 13.440 ( -1.976 -21.167 0.941) 21.279 14.122 ( -3.170 3.663 -1.038) 4.955 14.854 ( 0.903 -1.822 1.241) 2.383 15.690 ( -1.560 10.486 -0.147) 10.602 18.297 ( 9.692 3.705 0.426) 10.385 18.667 ( -10.238 7.010 2.816) 12.724 19.240 ( 3.352 3.857 -0.609) 5.146 20.473 ( 0.600 9.676 0.133) 9.695 ======================= Grid point 681 (319/324) ======================= q-point: ( 0.57 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.576 ( 6.184 -0.137 -3.277) 7.000 1.610 ( 1.055 1.657 1.600) 2.534 1.643 ( -1.087 0.121 0.749) 1.326 2.022 ( -1.087 -7.326 -1.694) 7.597 2.299 ( -0.654 -7.003 2.555) 7.483 2.436 ( 2.688 -4.367 -0.826) 5.195 2.688 ( 5.313 -3.910 7.315) 9.850 2.823 ( -1.355 -9.791 -7.492) 12.403 3.012 ( -4.671 -7.543 0.183) 8.874 3.259 ( -2.950 -7.618 -1.596) 8.324 3.518 ( -0.535 -11.412 2.134) 11.622 4.028 ( 4.389 -7.667 -1.359) 8.938 4.317 ( 2.165 -2.656 0.240) 3.435 4.434 ( 12.302 -13.665 -3.336) 18.687 4.586 ( -17.351 -15.929 3.392) 23.797 4.803 ( -1.588 -13.608 0.383) 13.705 5.456 ( 3.619 -1.706 2.628) 4.787 5.616 ( -2.532 1.096 -2.336) 3.616 6.882 ( 0.780 -9.599 0.350) 9.637 7.276 ( -0.408 -6.963 -0.176) 6.977 7.492 ( -1.249 13.653 -1.139) 13.758 8.031 ( 1.816 3.106 3.097) 4.747 8.122 ( -0.327 -3.039 -3.134) 4.378 8.334 ( -2.420 -1.276 -0.955) 2.897 8.951 ( -0.406 6.334 -0.246) 6.352 9.007 ( 1.586 -1.068 1.565) 2.471 9.308 ( 1.899 -2.400 5.303) 6.123 9.407 ( 1.011 13.285 1.976) 13.469 9.808 ( -0.317 6.727 -7.877) 10.364 10.507 ( -0.310 -7.971 1.315) 8.085 10.676 ( -3.142 12.329 -1.596) 12.823 11.249 ( 0.164 -1.298 -0.230) 1.328 12.024 ( -0.601 11.349 -0.524) 11.377 12.239 ( 0.468 -0.068 0.187) 0.508 13.790 ( -1.847 -16.475 1.222) 16.624 14.041 ( -0.931 3.441 -0.546) 3.607 14.896 ( 1.053 -1.511 0.496) 1.907 15.461 ( -0.996 12.586 -0.140) 12.626 18.265 ( 6.358 4.370 0.436) 7.727 18.504 ( -6.279 5.507 0.452) 8.364 19.181 ( 1.148 3.452 -0.111) 3.639 20.285 ( 1.175 10.767 -0.036) 10.831 ======================= Grid point 682 (320/324) ======================= q-point: ( 0.64 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.568 ( 0.000 2.197 -0.000) 2.197 1.592 ( -0.000 -0.059 0.000) 0.059 1.636 ( -0.000 0.460 0.000) 0.460 2.102 ( -0.000 -1.940 -0.000) 1.940 2.464 ( 0.000 0.851 0.000) 0.851 2.502 ( -0.000 -12.343 -0.000) 12.343 2.747 ( 0.000 -3.831 -0.000) 3.831 3.089 ( -0.000 -15.618 -0.000) 15.618 3.127 ( 0.000 -6.236 0.000) 6.236 3.425 ( -0.000 -11.002 -0.000) 11.002 3.637 ( -0.000 -1.799 0.000) 1.799 4.093 ( 0.000 2.034 0.000) 2.034 4.249 ( -0.000 6.725 -0.000) 6.725 4.685 ( -0.000 -7.506 0.000) 7.506 4.925 ( -0.000 -21.459 0.000) 21.459 5.141 ( -0.000 -20.107 -0.000) 20.107 5.564 ( -0.000 -8.528 0.000) 8.528 5.623 ( -0.000 -3.353 -0.000) 3.353 6.983 ( -0.000 -0.116 0.000) 0.116 7.351 ( -0.000 -0.735 -0.000) 0.735 7.372 ( -0.000 -3.512 0.000) 3.512 7.991 ( -0.000 1.933 -0.000) 1.933 8.174 ( -0.000 -2.720 -0.000) 2.720 8.363 ( -0.000 -2.158 -0.000) 2.158 8.785 ( -0.000 9.440 0.000) 9.440 9.024 ( 0.000 1.591 -0.000) 1.591 9.171 ( -0.000 11.917 0.000) 11.917 9.388 ( -0.000 -4.174 -0.000) 4.174 9.728 ( -0.000 -0.008 0.000) 0.008 10.429 ( -0.000 12.101 0.000) 12.101 10.521 ( -0.000 6.112 -0.000) 6.112 11.364 ( -0.000 -10.403 -0.000) 10.403 11.774 ( 0.000 14.264 0.000) 14.264 12.258 ( -0.000 -1.452 0.000) 1.452 13.978 ( -0.000 3.046 0.000) 3.046 14.050 ( -0.000 -11.557 -0.000) 11.557 14.920 ( -0.000 -0.590 0.000) 0.590 15.223 ( -0.000 11.919 -0.000) 11.919 18.194 ( -0.000 4.985 -0.000) 4.985 18.422 ( -0.000 1.349 0.000) 1.349 19.123 ( -0.000 2.980 0.000) 2.980 20.083 ( -0.000 10.859 0.000) 10.859 ======================= Grid point 694 (321/324) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.428 ( 18.609 0.000 -5.240) 19.333 1.541 ( 8.597 0.000 -3.811) 9.404 1.648 ( 7.266 0.000 0.194) 7.268 1.785 ( -15.382 -0.000 -1.347) 15.440 1.922 ( -7.267 -0.000 2.538) 7.697 2.187 ( -0.056 -0.000 2.822) 2.823 2.424 ( 4.771 0.000 8.787) 9.999 2.659 ( -4.157 -0.000 0.635) 4.205 2.764 ( 5.487 0.000 -9.630) 11.084 2.777 ( -2.042 -0.000 1.632) 2.614 3.086 ( 7.709 0.000 -3.204) 8.348 3.570 ( 19.917 0.000 -4.196) 20.354 3.638 ( 0.825 0.000 -1.505) 1.716 4.091 ( -25.285 -0.000 2.202) 25.381 4.484 ( -0.550 -0.000 6.448) 6.471 4.694 ( -7.255 -0.000 1.171) 7.349 5.467 ( 7.300 0.000 10.216) 12.556 5.785 ( -5.562 -0.000 -9.812) 11.279 6.349 ( 1.506 0.000 -0.025) 1.506 6.888 ( -1.460 -0.000 -0.255) 1.482 7.925 ( 4.821 0.000 0.168) 4.824 8.072 ( -4.719 -0.000 -5.450) 7.209 8.257 ( 3.464 0.000 1.661) 3.842 8.569 ( -2.049 -0.000 -2.497) 3.230 8.828 ( -1.946 -0.000 10.913) 11.085 9.223 ( 6.307 0.000 8.825) 10.847 9.263 ( -1.433 -0.000 0.940) 1.714 9.844 ( 4.337 0.000 -12.891) 13.601 9.914 ( 1.383 0.000 0.093) 1.386 10.159 ( 1.067 0.000 -6.000) 6.094 11.098 ( 0.128 0.000 0.898) 0.907 11.321 ( -5.591 -0.000 -0.674) 5.632 12.304 ( -0.358 -0.000 0.524) 0.635 12.612 ( -0.174 -0.000 -0.522) 0.550 12.680 ( 4.023 0.000 -0.738) 4.090 14.203 ( -3.672 -0.000 -1.945) 4.156 14.811 ( -1.001 -0.000 1.357) 1.686 15.906 ( -1.486 -0.000 -0.131) 1.492 18.374 ( 9.103 0.000 -0.190) 9.105 18.829 ( -11.040 -0.000 5.514) 12.340 19.349 ( 4.889 0.000 -0.814) 4.956 20.685 ( -4.054 -0.000 0.632) 4.103 ======================= Grid point 695 (322/324) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 588 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.530 ( 15.175 -1.710 -2.138) 15.420 1.593 ( 3.820 -2.090 -1.080) 4.486 1.680 ( 3.851 0.610 -0.359) 3.916 1.733 ( -14.368 -4.048 -0.975) 14.959 2.010 ( -2.100 -11.593 0.860) 11.813 2.199 ( -0.143 -0.638 1.570) 1.701 2.493 ( 2.421 -3.038 5.568) 6.789 2.706 ( -2.253 -5.685 -0.534) 6.138 2.761 ( 3.181 -0.245 -5.934) 6.737 2.910 ( -0.579 -13.323 1.248) 13.394 3.115 ( -0.929 -1.449 -0.164) 1.728 3.676 ( 11.744 -4.984 -3.828) 13.319 3.792 ( 15.076 -10.726 -1.598) 18.571 4.025 ( -26.165 -7.600 1.959) 27.317 4.479 ( 0.912 2.552 4.213) 5.009 4.661 ( -4.356 0.044 -0.139) 4.359 5.514 ( 6.039 2.034 8.441) 10.577 5.698 ( -4.935 2.477 -8.056) 9.767 6.455 ( 0.574 -9.616 0.187) 9.635 6.954 ( -0.610 -7.101 -0.183) 7.130 7.923 ( 2.016 3.578 -0.549) 4.143 8.033 ( -1.880 -0.308 -2.213) 2.920 8.269 ( 4.898 1.680 2.778) 5.876 8.411 ( -5.083 11.353 -2.382) 12.665 8.865 ( -0.627 -1.827 2.726) 3.340 9.216 ( 1.483 3.995 1.875) 4.656 9.276 ( 1.455 -0.042 3.611) 3.893 9.847 ( 1.599 7.168 1.078) 7.423 9.973 ( 4.092 -12.525 -7.107) 14.970 10.097 ( -3.326 4.820 -1.750) 6.112 11.048 ( -0.861 5.726 0.194) 5.793 11.286 ( -1.685 0.744 -0.427) 1.891 12.281 ( 0.043 2.710 0.183) 2.716 12.397 ( 0.762 9.698 -0.260) 9.731 13.026 ( 0.202 -21.549 -0.016) 21.550 14.162 ( -1.974 2.173 -0.817) 3.048 14.826 ( -0.055 -1.477 0.651) 1.615 15.842 ( -0.765 5.994 -0.059) 6.043 18.393 ( 5.840 1.937 -0.252) 6.157 18.749 ( -6.626 4.853 2.695) 8.644 19.328 ( 2.318 3.572 -0.443) 4.281 20.617 ( -1.325 5.479 0.098) 5.638 ======================= Grid point 696 (323/324) ======================= q-point: ( 0.57 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 301 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.581 ( 0.000 -0.446 -0.000) 0.446 1.633 ( 0.000 -0.869 -0.000) 0.869 1.660 ( 0.000 2.145 0.000) 2.145 1.834 ( -0.000 -9.942 -0.000) 9.942 2.224 ( 0.000 -2.014 -0.000) 2.014 2.272 ( -0.000 -13.639 0.000) 13.639 2.604 ( -0.000 -7.227 -0.000) 7.227 2.729 ( -0.000 0.969 -0.000) 0.969 2.852 ( -0.000 -7.996 0.000) 7.996 3.150 ( 0.000 -3.307 -0.000) 3.307 3.227 ( -0.000 -18.193 0.000) 18.193 3.847 ( 0.000 -10.127 -0.000) 10.127 4.115 ( 0.000 -15.674 -0.000) 15.674 4.173 ( -0.000 -17.172 0.000) 17.172 4.430 ( 0.000 2.810 0.000) 2.810 4.666 ( -0.000 -2.480 0.000) 2.480 5.495 ( -0.000 2.840 -0.000) 2.840 5.628 ( -0.000 1.751 0.000) 1.751 6.672 ( -0.000 -12.166 0.000) 12.166 7.116 ( 0.000 -9.355 0.000) 9.355 7.767 ( -0.000 13.347 0.000) 13.347 8.058 ( -0.000 -2.503 0.000) 2.503 8.151 ( -0.000 9.142 -0.000) 9.142 8.304 ( 0.000 -0.905 0.000) 0.905 8.917 ( -0.000 -3.547 -0.000) 3.547 9.122 ( -0.000 6.702 0.000) 6.702 9.290 ( -0.000 -0.782 0.000) 0.782 9.664 ( -0.000 12.487 0.000) 12.487 9.945 ( -0.000 8.472 -0.000) 8.472 10.261 ( -0.000 -15.899 0.000) 15.899 10.887 ( 0.000 10.516 -0.000) 10.516 11.266 ( -0.000 1.405 -0.000) 1.405 12.195 ( 0.000 6.780 0.000) 6.780 12.271 ( -0.000 3.882 -0.000) 3.882 13.433 ( -0.000 -20.795 -0.000) 20.795 14.102 ( -0.000 3.306 0.000) 3.306 14.863 ( -0.000 -2.122 0.000) 2.122 15.681 ( -0.000 10.549 -0.000) 10.549 18.358 ( -0.000 3.398 0.000) 3.398 18.614 ( 0.000 7.326 0.000) 7.326 19.256 ( -0.000 4.140 0.000) 4.140 20.476 ( -0.000 8.975 0.000) 8.975 ======================= Grid point 711 (324/324) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.32e-04 2.32e-04 2.32e-04 2.32e-04 6.53e-05 6.53e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) \|gv\| 1.572 ( 0.000 0.000 -0.000) 0.000 1.587 ( 0.000 0.000 -0.000) 0.000 1.621 ( 0.000 0.000 -0.000) 0.000 1.699 ( 0.000 0.000 -0.000) 0.000 1.883 ( 0.000 0.000 -0.000) 0.000 2.196 ( 0.000 0.000 -0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 -0.000) 0.000 2.770 ( 0.000 0.000 -0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 -0.000) 0.000 3.806 ( -0.000 -0.000 0.000) 0.000 3.825 ( 0.000 0.000 -0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.692 ( 0.000 0.000 -0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.880 ( 0.000 0.000 -0.000) 0.000 7.964 ( -0.000 -0.000 -0.000) 0.000 8.014 ( 0.000 0.000 0.000) 0.000 8.282 ( 0.000 0.000 -0.000) 0.000 8.548 ( 0.000 0.000 0.000) 0.000 8.853 ( 0.000 0.000 -0.000) 0.000 9.258 ( 0.000 0.000 0.000) 0.000 9.289 ( 0.000 0.000 0.000) 0.000 9.828 ( 0.000 0.000 0.000) 0.000 9.922 ( 0.000 0.000 0.000) 0.000 10.140 ( 0.000 0.000 -0.000) 0.000 11.105 ( 0.000 0.000 -0.000) 0.000 11.286 ( 0.000 0.000 -0.000) 0.000 12.304 ( 0.000 0.000 -0.000) 0.000 12.609 ( 0.000 0.000 0.000) 0.000 12.699 ( 0.000 0.000 -0.000) 0.000 14.176 ( 0.000 0.000 -0.000) 0.000 14.811 ( 0.000 0.000 0.000) 0.000 15.898 ( 0.000 0.000 -0.000) 0.000 18.426 ( -0.000 -0.000 0.000) 0.000 18.784 ( 0.000 0.000 -0.000) 0.000 19.372 ( 0.000 0.000 -0.000) 0.000 20.665 ( 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 3/49392 10.0 1814.298 819.093 1035.273 0.000 164.238 -0.000 3/49392 20.0 367.641 229.031 224.749 0.000 -21.291 -0.000 3/49392 30.0 175.024 110.664 104.986 0.000 -16.264 -0.000 3/49392 40.0 107.667 70.022 64.389 0.000 -11.282 -0.000 3/49392 50.0 74.791 50.189 45.007 0.000 -8.078 -0.000 3/49392 60.0 55.645 38.307 33.770 0.000 -5.986 -0.000 3/49392 70.0 43.351 30.432 26.521 0.000 -4.585 -0.000 3/49392 80.0 34.976 24.924 21.545 0.000 -3.623 -0.000 3/49392 90.0 29.025 20.930 17.983 0.000 -2.946 -0.000 3/49392 100.0 24.652 17.947 15.346 0.000 -2.457 -0.000 3/49392 110.0 21.344 15.661 13.339 0.000 -2.093 -0.000 3/49392 120.0 18.778 13.868 11.773 0.000 -1.817 -0.000 3/49392 130.0 16.743 12.433 10.525 0.000 -1.602 -0.000 3/49392 140.0 15.097 11.264 9.511 0.000 -1.431 -0.000 3/49392 150.0 13.744 10.295 8.673 0.000 -1.293 -0.000 3/49392 160.0 12.613 9.480 7.971 0.000 -1.179 -0.000 3/49392 170.0 11.656 8.787 7.375 0.000 -1.084 -0.000 3/49392 180.0 10.837 8.190 6.863 0.000 -1.003 -0.000 3/49392 190.0 10.127 7.671 6.418 0.000 -0.934 -0.000 3/49392 200.0 9.508 7.216 6.029 0.000 -0.875 -0.000 3/49392 210.0 8.962 6.814 5.685 0.000 -0.822 -0.000 3/49392 220.0 8.478 6.455 5.379 0.000 -0.776 -0.000 3/49392 230.0 8.045 6.134 5.106 0.000 -0.735 -0.000 3/49392 240.0 7.656 5.844 4.859 0.000 -0.699 -0.000 3/49392 250.0 7.304 5.581 4.636 0.000 -0.666 -0.000 3/49392 260.0 6.984 5.342 4.434 0.000 -0.636 -0.000 3/49392 270.0 6.692 5.123 4.248 0.000 -0.609 -0.000 3/49392 280.0 6.425 4.922 4.078 0.000 -0.584 -0.000 3/49392 290.0 6.179 4.736 3.922 0.000 -0.561 -0.000 3/49392 300.0 5.951 4.565 3.777 0.000 -0.540 -0.000 3/49392 310.0 5.741 4.406 3.643 0.000 -0.521 -0.000 3/49392 320.0 5.545 4.258 3.519 0.000 -0.503 -0.000 3/49392 330.0 5.363 4.119 3.403 0.000 -0.486 -0.000 3/49392 340.0 5.193 3.990 3.294 0.000 -0.471 -0.000 3/49392 350.0 5.033 3.869 3.193 0.000 -0.456 -0.000 3/49392 360.0 4.884 3.755 3.098 0.000 -0.442 -0.000 3/49392 370.0 4.743 3.648 3.008 0.000 -0.429 -0.000 3/49392 380.0 4.610 3.547 2.923 0.000 -0.417 -0.000 3/49392 390.0 4.485 3.452 2.844 0.000 -0.406 -0.000 3/49392 400.0 4.367 3.361 2.768 0.000 -0.395 -0.000 3/49392 410.0 4.255 3.276 2.697 0.000 -0.385 -0.000 3/49392 420.0 4.148 3.195 2.629 0.000 -0.375 -0.000 3/49392 430.0 4.047 3.117 2.565 0.000 -0.366 -0.000 3/49392 440.0 3.951 3.044 2.504 0.000 -0.357 -0.000 3/49392 450.0 3.860 2.974 2.445 0.000 -0.349 -0.000 3/49392 460.0 3.772 2.907 2.390 0.000 -0.341 -0.000 3/49392 470.0 3.689 2.843 2.337 0.000 -0.334 -0.000 3/49392 480.0 3.609 2.782 2.286 0.000 -0.326 -0.000 3/49392 490.0 3.533 2.723 2.237 0.000 -0.319 -0.000 3/49392 500.0 3.460 2.667 2.191 0.000 -0.313 -0.000 3/49392 510.0 3.390 2.614 2.146 0.000 -0.306 -0.000 3/49392 520.0 3.323 2.562 2.104 0.000 -0.300 -0.000 3/49392 530.0 3.258 2.513 2.063 0.000 -0.294 -0.000 3/49392 540.0 3.196 2.465 2.023 0.000 -0.289 -0.000 3/49392 550.0 3.136 2.419 1.985 0.000 -0.283 -0.000 3/49392 560.0 3.079 2.375 1.949 0.000 -0.278 -0.000 3/49392 570.0 3.023 2.332 1.914 0.000 -0.273 -0.000 3/49392 580.0 2.970 2.291 1.880 0.000 -0.268 -0.000 3/49392 590.0 2.919 2.252 1.847 0.000 -0.264 -0.000 3/49392 600.0 2.869 2.214 1.815 0.000 -0.259 -0.000 3/49392 610.0 2.821 2.177 1.785 0.000 -0.255 -0.000 3/49392 620.0 2.774 2.141 1.755 0.000 -0.251 -0.000 3/49392 630.0 2.729 2.106 1.727 0.000 -0.247 -0.000 3/49392 640.0 2.686 2.073 1.699 0.000 -0.243 -0.000 3/49392 650.0 2.644 2.041 1.673 0.000 -0.239 -0.000 3/49392 660.0 2.603 2.009 1.647 0.000 -0.235 -0.000 3/49392 670.0 2.564 1.979 1.622 0.000 -0.232 -0.000 3/49392 680.0 2.525 1.949 1.597 0.000 -0.228 -0.000 3/49392 690.0 2.488 1.921 1.574 0.000 -0.225 -0.000 3/49392 700.0 2.452 1.893 1.551 0.000 -0.222 -0.000 3/49392 710.0 2.417 1.866 1.529 0.000 -0.218 -0.000 3/49392 720.0 2.383 1.840 1.507 0.000 -0.215 -0.000 3/49392 730.0 2.350 1.814 1.486 0.000 -0.212 -0.000 3/49392 740.0 2.318 1.789 1.466 0.000 -0.209 -0.000 3/49392 750.0 2.286 1.765 1.446 0.000 -0.207 -0.000 3/49392 760.0 2.256 1.742 1.426 0.000 -0.204 -0.000 3/49392 770.0 2.226 1.719 1.408 0.000 -0.201 -0.000 3/49392 780.0 2.197 1.697 1.389 0.000 -0.199 -0.000 3/49392 790.0 2.169 1.675 1.371 0.000 -0.196 -0.000 3/49392 800.0 2.142 1.654 1.354 0.000 -0.194 -0.000 3/49392 810.0 2.115 1.633 1.337 0.000 -0.191 -0.000 3/49392 820.0 2.089 1.613 1.321 0.000 -0.189 -0.000 3/49392 830.0 2.064 1.594 1.304 0.000 -0.186 -0.000 3/49392 840.0 2.039 1.575 1.289 0.000 -0.184 -0.000 3/49392 850.0 2.014 1.556 1.273 0.000 -0.182 -0.000 3/49392 860.0 1.991 1.538 1.258 0.000 -0.180 -0.000 3/49392 870.0 1.968 1.520 1.244 0.000 -0.178 -0.000 3/49392 880.0 1.945 1.502 1.229 0.000 -0.176 -0.000 3/49392 890.0 1.923 1.485 1.216 0.000 -0.174 -0.000 3/49392 900.0 1.902 1.469 1.202 0.000 -0.172 -0.000 3/49392 910.0 1.881 1.453 1.189 0.000 -0.170 -0.000 3/49392 920.0 1.860 1.437 1.175 0.000 -0.168 -0.000 3/49392 930.0 1.840 1.421 1.163 0.000 -0.166 -0.000 3/49392 940.0 1.820 1.406 1.150 0.000 -0.164 -0.000 3/49392 950.0 1.801 1.391 1.138 0.000 -0.163 -0.000 3/49392 960.0 1.782 1.376 1.126 0.000 -0.161 -0.000 3/49392 970.0 1.763 1.362 1.114 0.000 -0.159 -0.000 3/49392 980.0 1.745 1.348 1.103 0.000 -0.158 -0.000 3/49392 990.0 1.728 1.335 1.092 0.000 -0.156 -0.000 3/49392 1000.0 1.710 1.321 1.081 0.000 -0.155 -0.000 3/49392 Thermal conductivity related properties were written into "kappa-m14146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------\[time 2026-01-07 23:59:34\]------------------------- \_ \_\_\_ \_ \_\_ \_\_\| \| / \_ \\ '\_ \\ / \_\` \| \| \_\_/ \| \| \| (\_\| \| \\\_\_\_\|\_\| \|\_\|\\\_\_,\_\|